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 3dtp_1_B DATA FIRST_RESID 2 DATA SEQUENCE AQKPLSDDEK FLFVDKNFVN NPLAQADWSA KKLVWVPSEK HGFEAASIKE DATA SEQUENCE EKGDEVTVEL QENGKKVTLS KDDIQKMNPP KFSKVEDMAE LTCLNEASVL DATA SEQUENCE HNLRERYFSG LIYTYSGLFC VVINPYKQLP IYSEKIIDMY KGKKRHEMPP DATA SEQUENCE HIYAIADTAY RSMLQDREDQ SILCTGESGA GKTENTKKVI QYLAVVASSH DATA SEQUENCE KGKXXXXXXQ GPSFSYGELE KQLLQANPIL EAFGNAKTVK NDNSSRFGKF DATA SEQUENCE IRINFDVTGY IVGANIETYL LEKSRAIRQA KDERTFHIFY YLIAGASEQM DATA SEQUENCE RNDLLLEGFN NYTFLSNGHV PIPAQQDDEM FQETLEAMTI MGFTEEEQTS DATA SEQUENCE ILRVVSSVLQ LGNIVFKKER NTDQASMPDN TAAQKVCHLM GINVTDFTRS DATA SEQUENCE ILTPRIKVGR DVVQKAQTKE QADFAIEALA KAKFERLFRW ILTRVNKALD DATA SEQUENCE XXXXXXASFL GILDIAGFEI FEINSFEQLC INYTNEKLQQ LFNHTMFILE DATA SEQUENCE QEEYQREGIE WNFIDFGLDL QPCIELIERP TNPPGVLALL DEECWFPKAT DATA SEQUENCE DTSFVEKLIQ EQGNHAKFQK SKQLKDKTEF CILHYAGKVT YNASAWLTKN DATA SEQUENCE MDPLNDNVTS LLNQSSDKFV ADLWKDVDRI VGLXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXFRTVGQ LYKEQLTKLM TTLRNTNPNF VRCIIPNHEK RAGKLDAHLV DATA SEQUENCE LEQLRCNGVL EGIRICRQGF PNRIVFQEFR QRYEILAANA IPKGFMDGKQ DATA SEQUENCE ACILMIKALE LDPNLYRIGQ SKIFFRTGVL AHLEEERDLK ITDVIIAFQA DATA SEQUENCE QCRGYLARKA FAKRQQQLTA MKVIQRNCAA YLKLRNWQWW RLFTKVKPLL DATA SEQUENCE QSAEREKEMA SMKEEFTRLK EALEKSEARR KELEEKMVSL LQEKNDLQLQ DATA SEQUENCE VQAEQDNLAD AEERCDQLIK NKIQLEAKVK EMNERLEDEE EMNAELTAKK DATA SEQUENCE RKLEDECSEL KRDIDDLELT LAK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.528 177.584 -0.093 0.000 1.274 2 A CA 0.000 51.980 52.037 -0.095 0.000 0.836 2 A CB 0.000 18.925 19.000 -0.124 0.000 0.831 3 Q N -0.669 119.050 119.800 -0.135 0.000 2.668 3 Q HA 0.255 nan 4.340 nan 0.000 0.298 3 Q C -1.763 174.139 176.000 -0.164 0.000 1.071 3 Q CA -1.654 54.072 55.803 -0.130 0.000 0.789 3 Q CB 2.864 31.521 28.738 -0.136 0.000 1.497 3 Q HN -0.062 8.414 8.270 -0.177 -0.312 0.460 4 K N 2.616 122.917 120.400 -0.166 0.000 2.440 4 K HA -0.011 nan 4.320 nan 0.000 0.275 4 K C -1.016 175.429 176.600 -0.259 0.000 1.082 4 K CA -0.265 55.913 56.287 -0.181 0.000 1.135 4 K CB -0.693 31.708 32.500 -0.165 0.000 0.864 4 K HN 0.180 8.347 8.250 -0.137 0.000 0.479 5 P HA 0.016 nan 4.420 nan 0.000 0.273 5 P C -1.199 175.976 177.300 -0.208 0.000 1.250 5 P CA -0.296 62.681 63.100 -0.205 0.000 0.793 5 P CB 0.598 32.215 31.700 -0.137 0.000 1.011 6 L N -2.141 118.976 121.223 -0.177 0.000 2.313 6 L HA 0.338 nan 4.340 nan 0.000 0.268 6 L C 0.091 176.925 176.870 -0.061 0.000 1.010 6 L CA -1.700 53.050 54.840 -0.151 0.000 0.814 6 L CB 1.714 43.680 42.059 -0.155 0.000 1.304 6 L HN -0.083 8.060 8.230 -0.146 0.000 0.441 7 S N -0.204 115.483 115.700 -0.022 0.000 2.646 7 S HA 0.171 nan 4.470 nan 0.000 0.273 7 S C 0.639 175.259 174.600 0.033 0.000 1.168 7 S CA -1.040 57.163 58.200 0.004 0.000 1.013 7 S CB 1.746 64.954 63.200 0.014 0.000 1.098 7 S HN -0.136 8.164 8.310 -0.017 0.000 0.544 8 D N -0.729 119.687 120.400 0.027 0.000 2.117 8 D HA -0.334 nan 4.640 nan 0.000 0.197 8 D C 1.388 177.704 176.300 0.027 0.000 0.987 8 D CA 3.153 57.175 54.000 0.036 0.000 0.829 8 D CB -0.805 39.987 40.800 -0.013 0.000 0.961 8 D HN 0.535 8.911 8.370 0.011 0.000 0.460 9 D N -0.739 119.657 120.400 -0.007 0.000 2.091 9 D HA -0.265 nan 4.640 nan 0.000 0.199 9 D C 2.443 178.796 176.300 0.089 0.000 0.980 9 D CA 2.373 56.359 54.000 -0.022 0.000 0.831 9 D CB -0.350 40.433 40.800 -0.028 0.000 0.987 9 D HN -0.532 7.833 8.370 -0.009 0.000 0.460 10 E N 0.612 120.892 120.200 0.133 0.000 2.097 10 E HA -0.386 nan 4.350 nan 0.000 0.196 10 E C 2.212 178.957 176.600 0.241 0.000 1.000 10 E CA 3.069 59.609 56.400 0.233 0.000 0.804 10 E CB -0.362 29.428 29.700 0.150 0.000 0.740 10 E HN 0.018 8.437 8.360 0.098 0.000 0.454 11 K N -1.956 118.545 120.400 0.168 0.000 2.218 11 K HA -0.312 nan 4.320 nan 0.000 0.205 11 K C 2.219 178.927 176.600 0.180 0.000 1.046 11 K CA 2.834 59.214 56.287 0.155 0.000 0.933 11 K CB -0.038 32.555 32.500 0.155 0.000 0.728 11 K HN -0.113 8.104 8.250 0.132 0.112 0.454 12 F N -4.803 115.139 119.950 -0.014 0.000 2.698 12 F HA -0.123 nan 4.527 nan 0.000 0.295 12 F C 0.402 176.154 175.800 -0.079 0.000 1.124 12 F CA 1.067 59.031 58.000 -0.059 0.000 1.426 12 F CB 0.902 39.833 39.000 -0.116 0.000 1.120 12 F HN -0.710 7.723 8.300 0.443 0.132 0.583 13 L N -1.881 119.431 121.223 0.148 0.000 1.982 13 L HA -0.210 nan 4.340 nan 0.000 0.206 13 L C 0.486 177.394 176.870 0.064 0.000 1.078 13 L CA 2.496 57.361 54.840 0.042 0.000 0.749 13 L CB 0.435 42.575 42.059 0.135 0.000 0.894 13 L HN -0.585 7.638 8.230 0.227 0.143 0.436 14 F N -5.873 114.064 119.950 -0.021 0.000 2.432 14 F HA 0.005 nan 4.527 nan 0.000 0.329 14 F C -0.185 175.596 175.800 -0.031 0.000 1.076 14 F CA -1.312 56.667 58.000 -0.035 0.000 1.018 14 F CB 1.422 40.402 39.000 -0.033 0.000 1.201 14 F HN -0.529 8.149 8.300 0.630 0.000 0.489 15 V N -3.176 116.850 119.914 0.188 0.000 2.763 15 V HA -0.149 nan 4.120 nan 0.000 0.306 15 V C 0.502 176.631 176.094 0.059 0.000 1.059 15 V CA -0.273 62.099 62.300 0.119 0.000 1.138 15 V CB 0.215 32.137 31.823 0.163 0.000 0.940 15 V HN 0.047 8.633 8.190 0.177 -0.290 0.489 16 D N 6.651 127.057 120.400 0.011 0.000 2.763 16 D HA -0.201 nan 4.640 nan 0.000 0.249 16 D C -0.289 175.875 176.300 -0.227 0.000 1.242 16 D CA 1.534 55.491 54.000 -0.071 0.000 1.494 16 D CB -1.387 39.405 40.800 -0.014 0.000 1.153 16 D HN 0.449 8.831 8.370 0.020 0.000 0.511 17 K N 0.517 120.702 120.400 -0.357 0.000 2.209 17 K HA -0.324 nan 4.320 nan 0.000 0.204 17 K C 0.335 176.253 176.600 -1.136 0.000 1.048 17 K CA 1.607 57.467 56.287 -0.712 0.000 0.940 17 K CB 0.124 32.423 32.500 -0.336 0.000 0.729 17 K HN -0.188 7.890 8.250 -0.246 0.023 0.451 18 N N 0.213 118.539 118.700 -0.624 0.000 2.671 18 N HA -0.067 nan 4.740 nan 0.000 0.274 18 N C -0.789 174.532 175.510 -0.314 0.000 1.188 18 N CA 0.504 53.298 53.050 -0.426 0.000 1.065 18 N CB -1.648 36.704 38.487 -0.225 0.000 1.415 18 N HN -0.180 7.882 8.380 -0.441 0.053 0.511 19 F N 3.104 123.043 119.950 -0.017 0.000 2.368 19 F HA 0.048 nan 4.527 nan 0.000 0.308 19 F C 0.118 175.900 175.800 -0.029 0.000 1.198 19 F CA 0.065 58.053 58.000 -0.021 0.000 1.130 19 F CB 0.597 39.585 39.000 -0.020 0.000 1.300 19 F HN -0.088 7.670 8.300 -0.825 0.047 0.537 20 V N 0.057 120.070 119.914 0.165 0.000 3.156 20 V HA 0.344 nan 4.120 nan 0.000 0.310 20 V C -1.764 174.350 176.094 0.033 0.000 1.234 20 V CA -1.721 60.618 62.300 0.065 0.000 1.065 20 V CB 2.849 34.699 31.823 0.045 0.000 1.088 20 V HN 0.172 8.479 8.190 0.194 0.000 0.451 21 N N 0.686 119.390 118.700 0.007 0.000 2.264 21 N HA 0.271 nan 4.740 nan 0.000 0.288 21 N C -2.525 172.976 175.510 -0.014 0.000 1.094 21 N CA -0.685 52.356 53.050 -0.014 0.000 0.817 21 N CB 1.258 39.732 38.487 -0.023 0.000 1.604 21 N HN -0.083 8.301 8.380 0.007 0.000 0.473 22 N N 0.598 119.286 118.700 -0.019 0.000 2.287 22 N HA 0.319 nan 4.740 nan 0.000 0.289 22 N C -1.867 173.637 175.510 -0.010 0.000 1.066 22 N CA -1.713 51.330 53.050 -0.011 0.000 0.841 22 N CB 1.418 39.903 38.487 -0.004 0.000 1.599 22 N HN -0.038 8.325 8.380 -0.028 0.000 0.476 23 P HA -0.234 nan 4.420 nan 0.000 0.216 23 P C 0.506 177.817 177.300 0.018 0.000 1.150 23 P CA 1.725 64.826 63.100 0.003 0.000 0.837 23 P CB 0.393 32.095 31.700 0.005 0.000 0.786 24 L N -3.245 117.987 121.223 0.016 0.000 1.994 24 L HA -0.397 nan 4.340 nan 0.000 0.208 24 L C 1.753 178.642 176.870 0.031 0.000 1.071 24 L CA 2.945 57.799 54.840 0.023 0.000 0.745 24 L CB -0.782 41.285 42.059 0.013 0.000 0.892 24 L HN -0.551 7.757 8.230 0.009 -0.073 0.431 25 A N -3.129 119.703 122.820 0.020 0.000 2.067 25 A HA -0.277 nan 4.320 nan 0.000 0.219 25 A C 1.029 178.643 177.584 0.051 0.000 1.158 25 A CA 2.932 54.982 52.037 0.022 0.000 0.661 25 A CB -0.812 18.187 19.000 -0.002 0.000 0.801 25 A HN -0.400 8.062 8.150 0.010 -0.306 0.452 26 Q N -2.308 117.519 119.800 0.045 0.000 2.402 26 Q HA -0.069 nan 4.340 nan 0.000 0.206 26 Q C 0.660 176.763 176.000 0.173 0.000 0.919 26 Q CA 1.275 57.106 55.803 0.047 0.000 0.923 26 Q CB 0.245 28.963 28.738 -0.034 0.000 1.048 26 Q HN -0.583 7.554 8.270 0.027 0.149 0.515 27 A N 0.571 123.493 122.820 0.170 0.000 1.911 27 A HA -0.077 nan 4.320 nan 0.000 0.212 27 A C 1.486 179.199 177.584 0.214 0.000 1.189 27 A CA 2.156 54.327 52.037 0.222 0.000 0.639 27 A CB 0.485 19.549 19.000 0.106 0.000 0.839 27 A HN 0.245 8.335 8.150 0.100 0.119 0.449 28 D N -0.450 120.024 120.400 0.123 0.000 2.311 28 D HA -0.279 nan 4.640 nan 0.000 0.212 28 D C 1.609 177.931 176.300 0.037 0.000 0.972 28 D CA 3.945 57.973 54.000 0.045 0.000 0.887 28 D CB 0.091 40.907 40.800 0.027 0.000 0.915 28 D HN 0.197 8.628 8.370 0.102 0.000 0.497 29 W N -2.339 118.936 121.300 -0.042 0.000 2.321 29 W HA -0.313 nan 4.660 nan 0.000 0.285 29 W C 0.138 176.634 176.519 -0.038 0.000 1.213 29 W CA 2.206 59.526 57.345 -0.043 0.000 1.205 29 W CB -1.644 27.796 29.460 -0.033 0.000 1.134 29 W HN -0.530 7.837 8.180 0.379 0.040 0.549 30 S N 0.779 115.952 115.700 -0.878 0.000 2.402 30 S HA -0.256 nan 4.470 nan 0.000 0.233 30 S C 1.097 175.411 174.600 -0.477 0.000 1.030 30 S CA 2.659 60.343 58.200 -0.860 0.000 1.003 30 S CB 0.078 62.989 63.200 -0.481 0.000 0.813 30 S HN -0.659 7.287 8.310 -0.547 0.036 0.477 31 A N 0.883 123.530 122.820 -0.289 0.000 3.063 31 A HA 0.137 nan 4.320 nan 0.000 0.263 31 A C -0.619 176.863 177.584 -0.170 0.000 1.736 31 A CA -1.115 50.808 52.037 -0.190 0.000 1.408 31 A CB -1.679 17.245 19.000 -0.127 0.000 1.108 31 A HN -0.103 7.780 8.150 -0.242 0.122 0.621 32 K N 2.225 122.500 120.400 -0.208 0.000 2.442 32 K HA -0.274 nan 4.320 nan 0.000 0.198 32 K C 0.590 177.132 176.600 -0.096 0.000 1.044 32 K CA 2.469 58.673 56.287 -0.139 0.000 0.948 32 K CB -0.587 31.817 32.500 -0.160 0.000 0.762 32 K HN -0.264 7.729 8.250 -0.286 0.085 0.472 33 K N -3.765 116.575 120.400 -0.100 0.000 2.505 33 K HA 0.007 nan 4.320 nan 0.000 0.192 33 K C -0.485 176.066 176.600 -0.080 0.000 1.025 33 K CA -1.055 55.187 56.287 -0.076 0.000 1.086 33 K CB -1.029 31.431 32.500 -0.066 0.000 0.840 33 K HN -0.106 8.029 8.250 -0.118 0.045 0.514 34 L N 0.882 122.041 121.223 -0.107 0.000 2.534 34 L HA -0.011 nan 4.340 nan 0.000 0.271 34 L C -1.080 175.686 176.870 -0.173 0.000 1.178 34 L CA 0.864 55.617 54.840 -0.145 0.000 0.907 34 L CB -0.604 41.344 42.059 -0.185 0.000 1.164 34 L HN -0.371 7.618 8.230 -0.111 0.175 0.482 35 V N -3.678 116.143 119.914 -0.154 0.000 3.007 35 V HA 0.662 nan 4.120 nan 0.000 0.311 35 V C -1.630 174.424 176.094 -0.067 0.000 1.120 35 V CA -3.284 58.946 62.300 -0.117 0.000 0.980 35 V CB 3.296 35.112 31.823 -0.011 0.000 1.033 35 V HN 0.767 8.885 8.190 -0.121 0.000 0.429 36 W N 1.366 122.681 121.300 0.025 0.000 2.261 36 W HA 0.455 nan 4.660 nan 0.000 0.323 36 W C -0.627 175.984 176.519 0.153 0.000 1.243 36 W CA -0.483 56.907 57.345 0.075 0.000 1.210 36 W CB 1.177 30.640 29.460 0.005 0.000 1.149 36 W HN -0.231 7.883 8.180 0.074 0.111 0.562 37 V N -3.900 116.337 119.914 0.539 0.000 2.656 37 V HA 0.637 nan 4.120 nan 0.000 0.307 37 V C -1.976 174.373 176.094 0.424 0.000 1.051 37 V CA -4.453 58.095 62.300 0.413 0.000 0.893 37 V CB 2.036 34.002 31.823 0.237 0.000 0.999 37 V HN 1.012 9.569 8.190 0.612 0.000 0.426 38 P HA 0.132 nan 4.420 nan 0.000 0.263 38 P C -1.405 175.793 177.300 -0.170 0.000 1.175 38 P CA 0.609 63.652 63.100 -0.096 0.000 0.761 38 P CB 0.085 31.803 31.700 0.029 0.000 0.794 39 S N 1.783 117.263 115.700 -0.367 0.000 2.543 39 S HA 0.154 nan 4.470 nan 0.000 0.271 39 S C 0.116 174.589 174.600 -0.212 0.000 1.148 39 S CA -1.541 56.529 58.200 -0.217 0.000 0.914 39 S CB 1.498 64.612 63.200 -0.143 0.000 1.096 39 S HN -0.110 7.774 8.310 -0.710 0.000 0.471 40 E N 5.230 125.351 120.200 -0.131 0.000 2.072 40 E HA -0.189 nan 4.350 nan 0.000 0.190 40 E C 1.616 178.211 176.600 -0.007 0.000 0.982 40 E CA 2.424 58.798 56.400 -0.044 0.000 0.803 40 E CB 0.024 29.688 29.700 -0.061 0.000 0.755 40 E HN 0.641 8.924 8.360 -0.127 0.000 0.453 41 K N -2.569 117.735 120.400 -0.159 0.000 2.186 41 K HA -0.049 nan 4.320 nan 0.000 0.202 41 K C 1.313 177.805 176.600 -0.180 0.000 1.052 41 K CA 1.604 57.763 56.287 -0.213 0.000 0.965 41 K CB 0.204 32.470 32.500 -0.390 0.000 0.746 41 K HN -0.482 7.603 8.250 -0.226 0.030 0.457 42 H N -3.677 115.369 119.070 -0.039 0.000 2.652 42 H HA 0.311 nan 4.556 nan 0.000 0.274 42 H C 0.465 175.733 175.328 -0.101 0.000 1.021 42 H CA -1.371 54.653 56.048 -0.041 0.000 1.187 42 H CB 1.007 30.776 29.762 0.013 0.000 1.505 42 H HN -0.632 7.471 8.280 -0.295 0.000 0.530 43 G N -0.399 108.330 108.800 -0.117 0.000 4.825 43 G HA2 -0.470 nan 3.960 nan 0.000 0.224 43 G HA3 -0.470 nan 3.960 nan 0.000 0.224 43 G C -1.643 172.866 174.900 -0.651 0.000 1.356 43 G CA 1.582 46.509 45.100 -0.288 0.000 0.966 43 G HN -0.383 7.776 8.290 -0.130 0.053 0.690 44 F N 1.409 121.364 119.950 0.008 0.000 2.631 44 F HA 0.419 nan 4.527 nan 0.000 0.308 44 F C -1.989 173.895 175.800 0.139 0.000 1.097 44 F CA -1.153 56.868 58.000 0.036 0.000 0.952 44 F CB 4.637 43.567 39.000 -0.116 0.000 1.307 44 F HN -0.595 7.700 8.300 0.075 0.051 0.450 45 E N -1.562 118.922 120.200 0.473 0.000 2.410 45 E HA 0.406 nan 4.350 nan 0.000 0.269 45 E C -2.238 174.742 176.600 0.633 0.000 0.937 45 E CA -2.659 54.050 56.400 0.515 0.000 0.793 45 E CB 3.911 33.831 29.700 0.367 0.000 1.314 45 E HN 0.303 8.955 8.360 0.486 0.000 0.447 46 A N -1.102 121.966 122.820 0.412 0.000 2.289 46 A HA 0.765 nan 4.320 nan 0.000 0.298 46 A C -1.615 176.008 177.584 0.065 0.000 1.208 46 A CA -0.739 51.351 52.037 0.089 0.000 0.845 46 A CB 0.393 19.273 19.000 -0.200 0.000 1.125 46 A HN 0.489 8.846 8.150 0.345 0.000 0.517 47 A N 4.041 126.888 122.820 0.045 0.000 2.443 47 A HA 0.978 nan 4.320 nan 0.000 0.278 47 A C -2.390 175.185 177.584 -0.016 0.000 1.252 47 A CA -1.932 50.123 52.037 0.030 0.000 0.816 47 A CB 3.508 22.549 19.000 0.067 0.000 1.369 47 A HN 1.028 9.209 8.150 0.052 0.000 0.446 48 S N -2.989 112.703 115.700 -0.013 0.000 2.536 48 S HA 0.648 nan 4.470 nan 0.000 0.287 48 S C -1.093 173.497 174.600 -0.017 0.000 1.101 48 S CA -2.199 55.982 58.200 -0.031 0.000 0.950 48 S CB 2.554 65.727 63.200 -0.045 0.000 1.056 48 S HN 0.588 8.788 8.310 0.001 0.111 0.481 49 I N 6.613 127.169 120.570 -0.023 0.000 2.664 49 I HA -0.317 nan 4.170 nan 0.000 0.284 49 I C -0.633 175.472 176.117 -0.019 0.000 1.154 49 I CA 2.265 63.556 61.300 -0.015 0.000 1.402 49 I CB -0.263 37.725 38.000 -0.019 0.000 1.395 49 I HN 0.588 8.665 8.210 -0.033 0.113 0.545 50 K N 5.133 125.526 120.400 -0.012 0.000 2.313 50 K HA 0.103 nan 4.320 nan 0.000 0.197 50 K C 0.231 176.824 176.600 -0.013 0.000 1.061 50 K CA -0.176 56.102 56.287 -0.014 0.000 0.980 50 K CB 1.322 33.816 32.500 -0.010 0.000 0.888 50 K HN 0.651 8.798 8.250 -0.005 0.100 0.502 51 E N -0.049 120.147 120.200 -0.007 0.000 2.404 51 E HA 0.101 nan 4.350 nan 0.000 0.298 51 E C -2.185 174.413 176.600 -0.003 0.000 0.908 51 E CA -0.115 56.281 56.400 -0.006 0.000 0.808 51 E CB 2.424 32.122 29.700 -0.005 0.000 1.380 51 E HN -0.435 7.922 8.360 -0.005 0.000 0.392 52 E N 5.953 126.150 120.200 -0.004 0.000 1.858 52 E HA -0.089 nan 4.350 nan 0.000 0.267 52 E C -0.379 176.221 176.600 0.001 0.000 1.215 52 E CA 0.006 56.405 56.400 -0.002 0.000 0.952 52 E CB -0.546 29.151 29.700 -0.005 0.000 1.058 52 E HN 0.382 8.738 8.360 -0.007 0.000 0.407 53 K N 4.527 124.929 120.400 0.003 0.000 2.551 53 K HA 0.031 nan 4.320 nan 0.000 0.204 53 K C 0.847 177.451 176.600 0.005 0.000 1.033 53 K CA -1.370 54.920 56.287 0.004 0.000 1.187 53 K CB -0.657 31.846 32.500 0.006 0.000 0.900 53 K HN 0.186 8.354 8.250 0.005 0.085 0.499 54 G N 0.544 109.347 108.800 0.005 0.000 5.426 54 G HA2 -0.537 nan 3.960 nan 0.000 0.297 54 G HA3 -0.537 nan 3.960 nan 0.000 0.297 54 G C 0.181 175.087 174.900 0.009 0.000 1.422 54 G CA 1.791 46.894 45.100 0.006 0.000 0.938 54 G HN -0.172 8.161 8.290 0.004 -0.040 0.754 55 D N 4.151 124.557 120.400 0.010 0.000 2.323 55 D HA 0.117 nan 4.640 nan 0.000 0.218 55 D C 0.281 176.590 176.300 0.016 0.000 0.973 55 D CA 1.944 55.952 54.000 0.014 0.000 0.890 55 D CB 1.249 42.057 40.800 0.013 0.000 1.011 55 D HN 0.016 8.341 8.370 0.009 0.050 0.499 56 E N -1.768 118.441 120.200 0.015 0.000 2.312 56 E HA 0.332 nan 4.350 nan 0.000 0.259 56 E C -1.096 175.512 176.600 0.014 0.000 1.122 56 E CA -0.464 55.946 56.400 0.016 0.000 0.922 56 E CB 1.266 30.974 29.700 0.014 0.000 1.109 56 E HN -0.393 7.974 8.360 0.012 0.000 0.442 57 V N -1.289 118.634 119.914 0.016 0.000 2.733 57 V HA 0.430 nan 4.120 nan 0.000 0.306 57 V C -0.850 175.252 176.094 0.013 0.000 1.084 57 V CA -1.200 61.107 62.300 0.012 0.000 0.905 57 V CB 3.518 35.348 31.823 0.012 0.000 1.010 57 V HN 0.657 8.735 8.190 0.020 0.125 0.424 58 T N 4.925 119.484 114.554 0.009 0.000 2.771 58 T HA 0.176 nan 4.350 nan 0.000 0.277 58 T C -0.051 174.655 174.700 0.009 0.000 0.919 58 T CA -0.085 62.020 62.100 0.009 0.000 1.163 58 T CB -1.237 67.634 68.868 0.005 0.000 0.876 58 T HN 0.329 8.481 8.240 0.006 0.091 0.545 59 V N 7.367 127.290 119.914 0.016 0.000 2.863 59 V HA 0.543 nan 4.120 nan 0.000 0.307 59 V C -1.469 174.636 176.094 0.019 0.000 1.061 59 V CA -0.996 61.315 62.300 0.018 0.000 1.024 59 V CB 1.201 33.044 31.823 0.033 0.000 1.049 59 V HN 0.099 8.301 8.190 0.021 0.000 0.471 60 E N 1.462 121.671 120.200 0.016 0.000 2.292 60 E HA 0.549 nan 4.350 nan 0.000 0.272 60 E C -1.297 175.316 176.600 0.022 0.000 0.881 60 E CA -2.087 54.323 56.400 0.017 0.000 0.754 60 E CB 4.347 34.051 29.700 0.007 0.000 1.201 60 E HN 0.600 8.858 8.360 0.011 0.108 0.425 61 L N 4.425 125.668 121.223 0.033 0.000 2.456 61 L HA -0.112 nan 4.340 nan 0.000 0.272 61 L C 0.055 176.942 176.870 0.030 0.000 1.189 61 L CA 0.762 55.629 54.840 0.045 0.000 0.846 61 L CB 0.152 42.246 42.059 0.059 0.000 1.111 61 L HN 0.614 8.726 8.230 0.033 0.137 0.475 62 Q N 1.355 121.171 119.800 0.027 0.000 2.246 62 Q HA -0.026 nan 4.340 nan 0.000 0.202 62 Q C -0.129 175.886 176.000 0.025 0.000 0.883 62 Q CA 0.826 56.637 55.803 0.014 0.000 0.952 62 Q CB 0.246 28.980 28.738 -0.007 0.000 1.078 62 Q HN 0.202 8.495 8.270 0.037 0.000 0.493 63 E N 1.667 121.894 120.200 0.045 0.000 2.611 63 E HA -0.094 nan 4.350 nan 0.000 0.284 63 E C 0.856 177.483 176.600 0.045 0.000 0.800 63 E CA -0.229 56.202 56.400 0.052 0.000 1.264 63 E CB -0.328 29.422 29.700 0.084 0.000 1.735 63 E HN -0.305 8.014 8.360 0.054 0.073 0.526 64 N N -0.509 118.222 118.700 0.052 0.000 2.585 64 N HA -0.143 nan 4.740 nan 0.000 0.188 64 N C 0.226 175.753 175.510 0.029 0.000 1.102 64 N CA 0.339 53.413 53.050 0.040 0.000 0.920 64 N CB 0.166 38.678 38.487 0.042 0.000 0.963 64 N HN 0.278 8.699 8.380 0.067 0.000 0.447 65 G N -1.259 107.558 108.800 0.027 0.000 2.168 65 G HA2 -0.309 nan 3.960 nan 0.000 0.257 65 G HA3 -0.309 nan 3.960 nan 0.000 0.257 65 G C -0.904 174.007 174.900 0.019 0.000 0.997 65 G CA 0.404 45.515 45.100 0.019 0.000 0.708 65 G HN -0.606 7.617 8.290 0.031 0.085 0.520 66 K N 0.209 120.624 120.400 0.025 0.000 2.292 66 K HA 0.022 nan 4.320 nan 0.000 0.290 66 K C -0.187 176.427 176.600 0.023 0.000 1.083 66 K CA -1.831 54.469 56.287 0.023 0.000 0.918 66 K CB -0.013 32.502 32.500 0.026 0.000 1.089 66 K HN -0.317 7.929 8.250 0.032 0.022 0.473 67 K N 6.069 126.479 120.400 0.017 0.000 2.402 67 K HA -0.118 nan 4.320 nan 0.000 0.279 67 K C -0.583 176.028 176.600 0.018 0.000 1.082 67 K CA 1.312 57.608 56.287 0.015 0.000 1.080 67 K CB -0.182 32.324 32.500 0.010 0.000 0.899 67 K HN -0.109 8.149 8.250 0.014 0.000 0.469 68 V N 7.649 127.577 119.914 0.023 0.000 2.409 68 V HA 0.163 nan 4.120 nan 0.000 0.290 68 V C -0.435 175.674 176.094 0.025 0.000 1.017 68 V CA -1.120 61.194 62.300 0.024 0.000 0.841 68 V CB 2.076 33.918 31.823 0.032 0.000 1.003 68 V HN 0.467 8.565 8.190 0.025 0.107 0.426 69 T N 10.227 124.793 114.554 0.020 0.000 2.793 69 T HA 0.095 nan 4.350 nan 0.000 0.289 69 T C -0.949 173.766 174.700 0.025 0.000 0.956 69 T CA 2.098 64.210 62.100 0.019 0.000 1.177 69 T CB -0.665 68.211 68.868 0.014 0.000 0.897 69 T HN 0.378 8.628 8.240 0.017 0.000 0.533 70 L N 6.937 128.178 121.223 0.030 0.000 2.409 70 L HA 0.450 nan 4.340 nan 0.000 0.262 70 L C -0.772 176.121 176.870 0.038 0.000 0.992 70 L CA -1.377 53.486 54.840 0.039 0.000 0.817 70 L CB 4.968 47.059 42.059 0.054 0.000 1.350 70 L HN 0.989 9.235 8.230 0.027 0.000 0.411 71 S N 1.543 117.268 115.700 0.041 0.000 2.592 71 S HA 0.102 nan 4.470 nan 0.000 0.271 71 S C -0.009 174.616 174.600 0.041 0.000 1.326 71 S CA 0.980 59.202 58.200 0.037 0.000 1.024 71 S CB 0.882 64.103 63.200 0.035 0.000 0.921 71 S HN 0.255 8.727 8.310 0.044 -0.135 0.527 72 K N 3.565 123.985 120.400 0.032 0.000 2.097 72 K HA -0.381 nan 4.320 nan 0.000 0.206 72 K C 0.405 177.026 176.600 0.035 0.000 1.049 72 K CA 3.267 59.572 56.287 0.030 0.000 0.933 72 K CB -0.057 32.456 32.500 0.021 0.000 0.717 72 K HN 0.678 8.844 8.250 0.027 0.100 0.442 73 D N -5.112 115.310 120.400 0.036 0.000 2.219 73 D HA -0.148 nan 4.640 nan 0.000 0.205 73 D C 0.623 176.957 176.300 0.056 0.000 0.970 73 D CA 1.990 56.014 54.000 0.039 0.000 0.851 73 D CB -0.527 40.294 40.800 0.035 0.000 0.943 73 D HN 0.142 8.524 8.370 0.033 0.008 0.488 74 D N -0.850 119.592 120.400 0.070 0.000 2.137 74 D HA -0.062 nan 4.640 nan 0.000 0.202 74 D C 0.753 177.126 176.300 0.122 0.000 0.970 74 D CA 1.565 55.629 54.000 0.106 0.000 0.837 74 D CB 1.089 41.954 40.800 0.108 0.000 0.981 74 D HN -0.464 7.806 8.370 0.061 0.136 0.475 75 I N -3.659 116.968 120.570 0.094 0.000 2.421 75 I HA 0.047 nan 4.170 nan 0.000 0.291 75 I C -0.530 175.634 176.117 0.078 0.000 1.089 75 I CA -0.219 61.141 61.300 0.100 0.000 1.354 75 I CB -0.579 37.466 38.000 0.075 0.000 1.413 75 I HN -0.570 7.588 8.210 0.074 0.096 0.513 76 Q N 9.095 128.959 119.800 0.106 0.000 2.771 76 Q HA 0.164 nan 4.340 nan 0.000 0.239 76 Q C -0.935 175.154 176.000 0.149 0.000 1.231 76 Q CA -1.875 53.974 55.803 0.076 0.000 1.056 76 Q CB -0.196 28.506 28.738 -0.061 0.000 1.284 76 Q HN 0.790 9.064 8.270 0.162 0.093 0.558 77 K N 0.492 120.928 120.400 0.061 0.000 2.382 77 K HA -0.507 nan 4.320 nan 0.000 0.244 77 K C -0.544 176.052 176.600 -0.007 0.000 1.068 77 K CA 0.550 56.842 56.287 0.009 0.000 1.150 77 K CB -1.549 30.955 32.500 0.006 0.000 0.726 77 K HN -0.159 8.061 8.250 0.043 0.055 0.486 78 M N 3.527 122.991 119.600 -0.226 0.000 2.232 78 M HA -0.282 nan 4.480 nan 0.000 0.321 78 M C -1.069 175.150 176.300 -0.136 0.000 1.101 78 M CA 0.954 55.903 55.300 -0.586 0.000 1.181 78 M CB 1.162 33.312 32.600 -0.750 0.000 1.432 78 M HN -0.246 7.918 8.290 -0.209 0.000 0.457 79 N N 2.191 120.950 118.700 0.099 0.000 2.483 79 N HA 0.311 nan 4.740 nan 0.000 0.267 79 N C -2.274 173.363 175.510 0.211 0.000 0.998 79 N CA -2.335 50.867 53.050 0.253 0.000 0.918 79 N CB 1.420 40.108 38.487 0.336 0.000 1.215 79 N HN 0.044 8.441 8.380 0.029 0.000 0.500 80 P HA 0.184 nan 4.420 nan 0.000 0.269 80 P C -0.881 176.419 177.300 0.001 0.000 1.209 80 P CA -1.274 61.856 63.100 0.050 0.000 0.776 80 P CB -0.462 31.252 31.700 0.023 0.000 0.876 81 P HA -0.217 nan 4.420 nan 0.000 0.224 81 P C 1.358 178.503 177.300 -0.258 0.000 1.142 81 P CA 1.753 64.795 63.100 -0.096 0.000 0.778 81 P CB 0.225 31.892 31.700 -0.055 0.000 0.764 82 K N -1.854 118.264 120.400 -0.469 0.000 2.293 82 K HA -0.206 nan 4.320 nan 0.000 0.204 82 K C 0.371 176.411 176.600 -0.932 0.000 1.045 82 K CA 2.320 58.142 56.287 -0.774 0.000 0.933 82 K CB -0.367 31.470 32.500 -1.104 0.000 0.736 82 K HN 0.273 8.190 8.250 -0.397 0.094 0.463 83 F N -5.282 114.597 119.950 -0.119 0.000 2.698 83 F HA 0.150 nan 4.527 nan 0.000 0.304 83 F C -1.219 174.410 175.800 -0.285 0.000 1.108 83 F CA -2.211 55.701 58.000 -0.146 0.000 1.263 83 F CB -0.264 38.698 39.000 -0.063 0.000 1.013 83 F HN -0.857 7.095 8.300 -0.447 0.081 0.532 84 S N 1.605 117.082 115.700 -0.372 0.000 2.629 84 S HA -0.277 nan 4.470 nan 0.000 0.302 84 S C 0.255 174.548 174.600 -0.512 0.000 1.244 84 S CA 1.690 59.685 58.200 -0.342 0.000 1.098 84 S CB 0.079 63.083 63.200 -0.327 0.000 0.858 84 S HN -0.240 7.738 8.310 -0.441 0.068 0.502 85 K N 2.272 122.598 120.400 -0.124 0.000 3.419 85 K HA -0.467 nan 4.320 nan 0.000 0.272 85 K C -1.672 174.949 176.600 0.035 0.000 0.973 85 K CA 0.518 56.785 56.287 -0.034 0.000 0.749 85 K CB -0.664 31.827 32.500 -0.015 0.000 1.403 85 K HN 0.126 8.444 8.250 0.023 -0.054 0.456 86 V N -1.621 118.324 119.914 0.053 0.000 3.556 86 V HA 0.154 nan 4.120 nan 0.000 0.292 86 V C 0.358 176.593 176.094 0.235 0.000 1.030 86 V CA -1.627 60.811 62.300 0.231 0.000 1.009 86 V CB 2.288 34.212 31.823 0.168 0.000 1.242 86 V HN -0.455 7.952 8.190 0.030 -0.199 0.431 87 E N -0.476 119.882 120.200 0.264 0.000 2.107 87 E HA -0.223 nan 4.350 nan 0.000 0.191 87 E C -0.361 176.347 176.600 0.181 0.000 0.982 87 E CA 2.562 59.084 56.400 0.203 0.000 0.809 87 E CB 0.395 30.225 29.700 0.216 0.000 0.756 87 E HN 0.373 8.927 8.360 0.323 0.000 0.459 88 D N -4.397 116.108 120.400 0.175 0.000 2.340 88 D HA 0.207 nan 4.640 nan 0.000 0.243 88 D C 0.596 176.949 176.300 0.087 0.000 0.988 88 D CA -1.389 52.695 54.000 0.139 0.000 0.959 88 D CB 2.397 43.270 40.800 0.122 0.000 1.226 88 D HN -0.892 7.706 8.370 0.181 -0.119 0.509 89 M N 0.947 120.571 119.600 0.040 0.000 2.682 89 M HA 0.032 nan 4.480 nan 0.000 0.235 89 M C 0.393 176.702 176.300 0.015 0.000 1.114 89 M CA -0.324 54.987 55.300 0.019 0.000 1.053 89 M CB -1.026 31.567 32.600 -0.012 0.000 1.599 89 M HN 0.093 8.396 8.290 0.021 0.000 0.520 90 A N -0.847 121.988 122.820 0.024 0.000 1.832 90 A HA -0.097 nan 4.320 nan 0.000 0.214 90 A C 1.914 179.498 177.584 -0.001 0.000 1.204 90 A CA 2.613 54.657 52.037 0.013 0.000 0.606 90 A CB -0.117 18.897 19.000 0.023 0.000 0.849 90 A HN -0.526 7.710 8.150 0.038 -0.063 0.445 91 E N -2.202 118.021 120.200 0.037 0.000 2.533 91 E HA -0.228 nan 4.350 nan 0.000 0.203 91 E C -0.650 175.904 176.600 -0.078 0.000 1.101 91 E CA 0.588 57.014 56.400 0.043 0.000 0.894 91 E CB -1.152 28.644 29.700 0.161 0.000 0.843 91 E HN 0.317 8.720 8.360 0.071 0.000 0.552 92 L N -0.102 121.034 121.223 -0.145 0.000 2.369 92 L HA -0.085 nan 4.340 nan 0.000 0.279 92 L C 0.274 176.827 176.870 -0.529 0.000 1.108 92 L CA -0.111 54.526 54.840 -0.337 0.000 0.852 92 L CB 0.099 42.084 42.059 -0.122 0.000 1.169 92 L HN -0.609 7.468 8.230 -0.074 0.108 0.452 93 T N -0.266 113.675 114.554 -1.021 0.000 2.622 93 T HA -0.203 nan 4.350 nan 0.000 0.266 93 T C 0.893 175.415 174.700 -0.297 0.000 1.047 93 T CA 1.399 63.139 62.100 -0.600 0.000 1.159 93 T CB -0.123 68.389 68.868 -0.592 0.000 0.863 93 T HN 0.182 7.200 8.240 -2.035 0.000 0.422 94 C N 4.964 124.125 119.300 -0.231 0.000 2.459 94 C HA 0.050 nan 4.460 nan 0.000 0.358 94 C C -0.736 174.194 174.990 -0.100 0.000 1.162 94 C CA -0.710 58.245 59.018 -0.104 0.000 1.559 94 C CB -2.619 25.111 27.740 -0.017 0.000 2.132 94 C HN 0.113 8.178 8.230 -0.276 0.000 0.536 95 L N 7.096 128.262 121.223 -0.096 0.000 2.536 95 L HA -0.129 nan 4.340 nan 0.000 0.282 95 L C -0.915 175.917 176.870 -0.064 0.000 1.147 95 L CA 0.555 55.350 54.840 -0.075 0.000 0.936 95 L CB -1.481 40.540 42.059 -0.064 0.000 1.279 95 L HN -0.261 7.872 8.230 -0.102 0.036 0.461 96 N N 2.746 121.399 118.700 -0.078 0.000 2.732 96 N HA 0.278 nan 4.740 nan 0.000 0.259 96 N C -0.880 174.539 175.510 -0.151 0.000 1.402 96 N CA -0.368 52.620 53.050 -0.102 0.000 0.829 96 N CB 3.523 41.955 38.487 -0.091 0.000 1.495 96 N HN -0.694 7.637 8.380 -0.082 0.000 0.511 97 E N 2.523 122.594 120.200 -0.215 0.000 2.028 97 E HA -0.224 nan 4.350 nan 0.000 0.191 97 E C 1.545 177.959 176.600 -0.309 0.000 0.988 97 E CA 2.833 59.108 56.400 -0.208 0.000 0.799 97 E CB 0.086 29.692 29.700 -0.157 0.000 0.755 97 E HN 0.166 8.512 8.360 -0.236 -0.127 0.447 98 A N -3.311 119.068 122.820 -0.734 0.000 2.054 98 A HA -0.232 nan 4.320 nan 0.000 0.223 98 A C 1.545 178.848 177.584 -0.469 0.000 1.169 98 A CA 2.768 54.335 52.037 -0.784 0.000 0.655 98 A CB -0.548 17.696 19.000 -1.260 0.000 0.812 98 A HN -0.387 7.405 8.150 -0.982 -0.232 0.462 99 S N -3.799 111.716 115.700 -0.308 0.000 2.641 99 S HA 0.030 nan 4.470 nan 0.000 0.239 99 S C 1.623 176.207 174.600 -0.027 0.000 1.081 99 S CA 1.096 59.205 58.200 -0.151 0.000 0.904 99 S CB 1.357 64.481 63.200 -0.127 0.000 0.803 99 S HN -0.783 7.286 8.310 -0.291 0.067 0.510 100 V N 4.362 124.247 119.914 -0.049 0.000 2.252 100 V HA -0.427 nan 4.120 nan 0.000 0.249 100 V C 1.647 177.739 176.094 -0.002 0.000 1.056 100 V CA 4.520 66.809 62.300 -0.019 0.000 1.022 100 V CB -1.033 30.773 31.823 -0.028 0.000 0.641 100 V HN -0.095 8.046 8.190 -0.083 0.000 0.445 101 L N -1.852 119.366 121.223 -0.008 0.000 1.978 101 L HA -0.475 nan 4.340 nan 0.000 0.218 101 L C 0.877 177.742 176.870 -0.008 0.000 1.075 101 L CA 3.828 58.666 54.840 -0.003 0.000 0.767 101 L CB -0.797 41.276 42.059 0.023 0.000 0.890 101 L HN -0.619 7.597 8.230 -0.023 0.000 0.434 102 H N -1.741 117.278 119.070 -0.085 0.000 2.321 102 H HA -0.471 nan 4.556 nan 0.000 0.295 102 H C 2.402 177.703 175.328 -0.045 0.000 1.102 102 H CA 3.988 59.987 56.048 -0.083 0.000 1.266 102 H CB -0.316 29.364 29.762 -0.137 0.000 1.363 102 H HN -0.404 7.858 8.280 0.053 0.050 0.492 103 N N -2.927 115.813 118.700 0.067 0.000 2.512 103 N HA -0.215 nan 4.740 nan 0.000 0.183 103 N C 0.636 176.132 175.510 -0.024 0.000 1.073 103 N CA 2.294 55.357 53.050 0.022 0.000 0.911 103 N CB 0.252 38.781 38.487 0.069 0.000 0.964 103 N HN -0.117 8.337 8.380 0.123 0.000 0.447 104 L N -4.027 117.175 121.223 -0.035 0.000 2.500 104 L HA 0.081 nan 4.340 nan 0.000 0.219 104 L C 1.816 178.660 176.870 -0.043 0.000 1.057 104 L CA 0.546 55.367 54.840 -0.032 0.000 0.854 104 L CB 0.746 42.789 42.059 -0.027 0.000 1.078 104 L HN -0.340 7.766 8.230 -0.034 0.104 0.480 105 R N 1.288 121.746 120.500 -0.070 0.000 2.113 105 R HA -0.451 nan 4.340 nan 0.000 0.244 105 R C 1.718 177.987 176.300 -0.052 0.000 1.142 105 R CA 3.933 59.981 56.100 -0.087 0.000 0.953 105 R CB -0.101 30.140 30.300 -0.099 0.000 0.860 105 R HN -0.103 8.125 8.270 -0.070 0.000 0.438 106 E N -3.909 116.252 120.200 -0.066 0.000 2.489 106 E HA -0.049 nan 4.350 nan 0.000 0.193 106 E C 1.439 178.036 176.600 -0.006 0.000 1.057 106 E CA 1.312 57.696 56.400 -0.026 0.000 0.866 106 E CB -0.220 29.380 29.700 -0.167 0.000 0.916 106 E HN -0.462 7.809 8.360 -0.121 0.016 0.500 107 R N 0.202 120.699 120.500 -0.005 0.000 2.087 107 R HA -0.098 nan 4.340 nan 0.000 0.216 107 R C 1.837 178.138 176.300 0.002 0.000 1.114 107 R CA 2.931 59.027 56.100 -0.007 0.000 1.002 107 R CB 0.465 30.765 30.300 -0.001 0.000 0.903 107 R HN -0.245 7.817 8.270 -0.006 0.204 0.445 108 Y N 1.078 121.331 120.300 -0.078 0.000 2.040 108 Y HA -0.427 nan 4.550 nan 0.000 0.275 108 Y C 2.187 178.101 175.900 0.023 0.000 1.171 108 Y CA 3.121 61.173 58.100 -0.080 0.000 1.123 108 Y CB -0.339 38.038 38.460 -0.138 0.000 0.963 108 Y HN -0.686 7.664 8.280 0.118 0.000 0.493 109 F N -1.934 117.784 119.950 -0.386 0.000 2.250 109 F HA -0.261 nan 4.527 nan 0.000 0.301 109 F C 1.196 176.774 175.800 -0.370 0.000 1.077 109 F CA 1.605 59.334 58.000 -0.451 0.000 1.348 109 F CB -0.733 38.136 39.000 -0.219 0.000 1.040 109 F HN -0.421 7.928 8.300 0.082 0.000 0.509 110 S N -3.449 112.178 115.700 -0.121 0.000 2.720 110 S HA -0.013 nan 4.470 nan 0.000 0.222 110 S C 0.392 174.746 174.600 -0.410 0.000 0.958 110 S CA 0.723 58.793 58.200 -0.216 0.000 0.943 110 S CB 0.194 63.316 63.200 -0.131 0.000 0.779 110 S HN -0.452 7.649 8.310 -0.047 0.180 0.526 111 G N -0.793 107.701 108.800 -0.509 0.000 2.217 111 G HA2 -0.324 nan 3.960 nan 0.000 0.246 111 G HA3 -0.324 nan 3.960 nan 0.000 0.246 111 G C -0.609 173.965 174.900 -0.544 0.000 0.990 111 G CA 0.325 44.905 45.100 -0.866 0.000 0.627 111 G HN 0.043 7.884 8.290 -0.407 0.205 0.522 112 L N 2.879 123.919 121.223 -0.305 0.000 2.417 112 L HA 0.284 nan 4.340 nan 0.000 0.258 112 L C -0.286 176.552 176.870 -0.053 0.000 1.088 112 L CA -1.367 53.384 54.840 -0.148 0.000 0.975 112 L CB -0.816 41.177 42.059 -0.110 0.000 1.341 112 L HN -0.284 7.744 8.230 -0.260 0.046 0.431 113 I N -0.430 120.101 120.570 -0.065 0.000 2.193 113 I HA -0.130 nan 4.170 nan 0.000 0.240 113 I C -0.376 175.660 176.117 -0.135 0.000 1.084 113 I CA 2.729 63.971 61.300 -0.096 0.000 1.365 113 I CB 0.344 38.221 38.000 -0.204 0.000 1.064 113 I HN -0.664 7.504 8.210 -0.070 0.000 0.410 114 Y N -0.994 119.309 120.300 0.005 0.000 2.393 114 Y HA -0.001 nan 4.550 nan 0.000 0.338 114 Y C -1.244 174.646 175.900 -0.016 0.000 1.029 114 Y CA 0.107 58.217 58.100 0.016 0.000 1.239 114 Y CB -0.628 37.846 38.460 0.022 0.000 1.170 114 Y HN -0.497 7.809 8.280 0.043 0.000 0.515 115 T N 6.776 121.413 114.554 0.138 0.000 2.815 115 T HA 0.257 nan 4.350 nan 0.000 0.289 115 T C -1.344 173.416 174.700 0.099 0.000 1.000 115 T CA -0.946 61.197 62.100 0.073 0.000 0.958 115 T CB 1.442 70.327 68.868 0.029 0.000 0.944 115 T HN 0.342 8.533 8.240 0.143 0.134 0.442 116 Y N 7.267 127.544 120.300 -0.039 0.000 2.745 116 Y HA -0.163 nan 4.550 nan 0.000 0.335 116 Y C 0.022 175.804 175.900 -0.197 0.000 1.212 116 Y CA -1.154 56.882 58.100 -0.106 0.000 1.535 116 Y CB -0.508 37.941 38.460 -0.018 0.000 1.220 116 Y HN 0.654 8.984 8.280 0.083 0.000 0.531 117 S N 6.096 121.612 115.700 -0.306 0.000 2.661 117 S HA 0.103 nan 4.470 nan 0.000 0.245 117 S C -1.180 173.183 174.600 -0.396 0.000 1.117 117 S CA -0.755 57.172 58.200 -0.456 0.000 1.091 117 S CB -0.617 62.045 63.200 -0.897 0.000 0.887 117 S HN -0.053 7.980 8.310 -0.462 0.000 0.491 118 G N 0.163 108.814 108.800 -0.248 0.000 2.501 118 G HA2 -0.330 nan 3.960 nan 0.000 0.213 118 G HA3 -0.330 nan 3.960 nan 0.000 0.213 118 G C -0.928 173.693 174.900 -0.464 0.000 1.158 118 G CA -0.149 44.819 45.100 -0.221 0.000 1.079 118 G HN -0.567 7.973 8.290 -0.143 -0.337 0.586 119 L N 1.148 122.235 121.223 -0.228 0.000 1.988 119 L HA -0.001 nan 4.340 nan 0.000 0.207 119 L C -0.403 176.435 176.870 -0.053 0.000 1.071 119 L CA 1.818 56.510 54.840 -0.248 0.000 0.744 119 L CB 0.326 42.402 42.059 0.029 0.000 0.893 119 L HN 0.046 8.257 8.230 -0.032 0.000 0.433 120 F N -5.678 114.324 119.950 0.087 0.000 2.608 120 F HA -0.159 nan 4.527 nan 0.000 0.380 120 F C -0.883 175.074 175.800 0.261 0.000 1.083 120 F CA -1.851 56.291 58.000 0.237 0.000 1.266 120 F CB -0.489 38.680 39.000 0.283 0.000 1.076 120 F HN -0.927 7.693 8.300 0.532 0.000 0.574 121 C N 3.964 123.475 119.300 0.351 0.000 2.239 121 C HA 0.613 nan 4.460 nan 0.000 0.323 121 C C 0.021 175.164 174.990 0.255 0.000 1.205 121 C CA -3.285 55.909 59.018 0.295 0.000 1.584 121 C CB -1.096 26.900 27.740 0.427 0.000 2.201 121 C HN 0.445 8.958 8.230 0.472 0.000 0.475 122 V N 7.924 127.901 119.914 0.104 0.000 2.450 122 V HA 0.017 nan 4.120 nan 0.000 0.281 122 V C -1.191 174.931 176.094 0.047 0.000 1.019 122 V CA 1.210 63.559 62.300 0.082 0.000 1.062 122 V CB -1.085 30.750 31.823 0.020 0.000 0.979 122 V HN 0.672 8.774 8.190 -0.047 0.059 0.477 123 V N 7.225 127.145 119.914 0.010 0.000 2.628 123 V HA 0.407 nan 4.120 nan 0.000 0.306 123 V C -1.196 174.797 176.094 -0.169 0.000 1.045 123 V CA -1.460 60.773 62.300 -0.112 0.000 0.905 123 V CB 3.021 34.784 31.823 -0.099 0.000 0.997 123 V HN 0.254 8.310 8.190 0.011 0.142 0.436 124 I N 3.434 123.865 120.570 -0.232 0.000 2.439 124 I HA 0.147 nan 4.170 nan 0.000 0.283 124 I C -1.137 174.735 176.117 -0.408 0.000 1.023 124 I CA -1.925 59.154 61.300 -0.368 0.000 1.100 124 I CB 1.387 39.066 38.000 -0.535 0.000 1.238 124 I HN -0.185 7.896 8.210 -0.214 0.000 0.445 125 N N 9.281 127.772 118.700 -0.348 0.000 2.429 125 N HA 0.009 nan 4.740 nan 0.000 0.271 125 N C -1.094 174.307 175.510 -0.181 0.000 1.272 125 N CA -1.382 51.502 53.050 -0.277 0.000 0.921 125 N CB 0.634 38.905 38.487 -0.359 0.000 1.128 125 N HN 0.008 8.191 8.380 -0.329 0.000 0.481 126 P HA -0.159 nan 4.420 nan 0.000 0.222 126 P C -0.699 176.813 177.300 0.354 0.000 1.153 126 P CA 0.468 63.766 63.100 0.330 0.000 0.798 126 P CB 0.658 32.583 31.700 0.375 0.000 0.796 127 Y N -2.647 117.693 120.300 0.067 0.000 3.001 127 Y HA -0.485 nan 4.550 nan 0.000 0.187 127 Y C -1.108 174.842 175.900 0.083 0.000 1.462 127 Y CA 0.813 58.948 58.100 0.058 0.000 0.936 127 Y CB -2.192 36.290 38.460 0.037 0.000 1.337 127 Y HN -0.227 8.348 8.280 0.013 -0.287 0.428 128 K N -0.096 120.434 120.400 0.217 0.000 2.568 128 K HA 0.184 nan 4.320 nan 0.000 0.273 128 K C -1.143 175.545 176.600 0.147 0.000 0.951 128 K CA -1.169 55.221 56.287 0.172 0.000 0.854 128 K CB 2.765 35.376 32.500 0.184 0.000 1.424 128 K HN -0.451 7.907 8.250 0.179 0.000 0.427 129 Q N 3.574 123.440 119.800 0.109 0.000 2.641 129 Q HA 0.038 nan 4.340 nan 0.000 0.225 129 Q C -0.844 175.182 176.000 0.044 0.000 1.309 129 Q CA -0.114 55.751 55.803 0.102 0.000 0.935 129 Q CB -1.164 27.615 28.738 0.069 0.000 1.557 129 Q HN 0.365 8.691 8.270 0.093 0.000 0.563 130 L N 4.121 125.399 121.223 0.091 0.000 2.559 130 L HA -0.056 nan 4.340 nan 0.000 0.274 130 L C -0.019 176.686 176.870 -0.276 0.000 1.205 130 L CA -1.002 53.786 54.840 -0.087 0.000 0.907 130 L CB -0.150 41.919 42.059 0.016 0.000 1.153 130 L HN -0.298 7.997 8.230 0.193 0.050 0.490 131 P HA -0.039 nan 4.420 nan 0.000 0.239 131 P C 0.061 177.138 177.300 -0.371 0.000 1.184 131 P CA 1.108 63.993 63.100 -0.359 0.000 0.760 131 P CB 0.080 31.525 31.700 -0.426 0.000 0.884 132 I N -7.105 113.079 120.570 -0.642 0.000 3.688 132 I HA 0.007 nan 4.170 nan 0.000 0.307 132 I C -2.143 173.503 176.117 -0.786 0.000 1.287 132 I CA -0.044 60.857 61.300 -0.665 0.000 1.192 132 I CB -1.701 35.827 38.000 -0.786 0.000 1.043 132 I HN -0.282 7.351 8.210 -0.784 0.107 0.442 133 Y N -0.017 120.261 120.300 -0.037 0.000 2.317 133 Y HA 0.219 nan 4.550 nan 0.000 0.325 133 Y C -1.273 174.699 175.900 0.120 0.000 1.066 133 Y CA -1.383 56.757 58.100 0.066 0.000 1.203 133 Y CB 0.930 39.445 38.460 0.093 0.000 1.127 133 Y HN -0.439 7.575 8.280 -0.257 0.111 0.451 134 S N 1.486 117.346 115.700 0.267 0.000 2.595 134 S HA 0.311 nan 4.470 nan 0.000 0.270 134 S C -0.471 174.202 174.600 0.121 0.000 1.145 134 S CA -1.354 56.947 58.200 0.169 0.000 0.825 134 S CB 2.864 66.117 63.200 0.089 0.000 1.107 134 S HN -0.517 7.996 8.310 0.339 0.000 0.461 135 E N 0.990 121.184 120.200 -0.010 0.000 2.409 135 E HA -0.237 nan 4.350 nan 0.000 0.198 135 E C 1.372 177.896 176.600 -0.127 0.000 1.024 135 E CA 2.518 58.802 56.400 -0.192 0.000 0.861 135 E CB -0.723 28.629 29.700 -0.579 0.000 0.788 135 E HN 0.239 8.601 8.360 0.003 0.000 0.521 136 K N 0.977 121.364 120.400 -0.021 0.000 2.001 136 K HA -0.203 nan 4.320 nan 0.000 0.208 136 K C 1.295 177.965 176.600 0.116 0.000 1.048 136 K CA 3.331 59.633 56.287 0.026 0.000 0.932 136 K CB -0.086 32.439 32.500 0.041 0.000 0.715 136 K HN -0.616 7.586 8.250 0.005 0.051 0.437 137 I N -1.182 119.500 120.570 0.188 0.000 3.176 137 I HA -0.241 nan 4.170 nan 0.000 0.275 137 I C 1.564 177.948 176.117 0.446 0.000 1.298 137 I CA 2.022 63.543 61.300 0.368 0.000 1.445 137 I CB -1.268 36.903 38.000 0.285 0.000 1.075 137 I HN -0.476 7.730 8.210 0.145 0.092 0.482 138 I N 0.730 121.436 120.570 0.227 0.000 2.499 138 I HA -0.150 nan 4.170 nan 0.000 0.243 138 I C 1.275 177.414 176.117 0.036 0.000 1.085 138 I CA 1.433 62.785 61.300 0.087 0.000 1.422 138 I CB -0.038 37.922 38.000 -0.068 0.000 1.165 138 I HN 0.065 8.114 8.210 0.140 0.245 0.440 139 D N -1.634 118.735 120.400 -0.053 0.000 2.312 139 D HA -0.101 nan 4.640 nan 0.000 0.211 139 D C 2.456 178.757 176.300 0.002 0.000 0.964 139 D CA 2.446 56.401 54.000 -0.075 0.000 0.877 139 D CB 0.335 41.037 40.800 -0.163 0.000 0.924 139 D HN -0.075 8.112 8.370 -0.104 0.120 0.515 140 M N -0.744 118.897 119.600 0.069 0.000 2.134 140 M HA -0.213 nan 4.480 nan 0.000 0.262 140 M C 1.504 177.880 176.300 0.128 0.000 1.076 140 M CA 3.815 59.167 55.300 0.087 0.000 1.143 140 M CB 0.655 33.323 32.600 0.113 0.000 1.346 140 M HN 0.106 8.427 8.290 0.083 0.019 0.421 141 Y N -4.722 115.641 120.300 0.105 0.000 2.584 141 Y HA -0.222 nan 4.550 nan 0.000 0.317 141 Y C -1.131 174.799 175.900 0.051 0.000 1.208 141 Y CA 0.023 58.222 58.100 0.165 0.000 1.299 141 Y CB -0.751 37.959 38.460 0.418 0.000 1.047 141 Y HN -0.368 8.040 8.280 0.486 0.164 0.506 142 K N 0.849 121.303 120.400 0.091 0.000 2.171 142 K HA -0.149 nan 4.320 nan 0.000 0.274 142 K C 0.245 176.847 176.600 0.002 0.000 1.110 142 K CA 0.143 56.408 56.287 -0.036 0.000 0.952 142 K CB -1.487 30.973 32.500 -0.067 0.000 1.309 142 K HN -0.778 7.424 8.250 0.080 0.096 0.414 143 G N 5.551 114.360 108.800 0.015 0.000 2.176 143 G HA2 -0.465 nan 3.960 nan 0.000 0.252 143 G HA3 -0.465 nan 3.960 nan 0.000 0.252 143 G C -1.150 173.814 174.900 0.105 0.000 1.024 143 G CA 0.422 45.581 45.100 0.098 0.000 0.755 143 G HN 0.365 8.746 8.290 -0.026 -0.106 0.507 144 K N -0.690 119.780 120.400 0.117 0.000 2.177 144 K HA 0.290 nan 4.320 nan 0.000 0.238 144 K C -0.861 175.781 176.600 0.070 0.000 1.015 144 K CA -2.464 53.865 56.287 0.070 0.000 0.922 144 K CB 2.345 34.860 32.500 0.025 0.000 1.127 144 K HN -0.794 7.691 8.250 0.173 -0.132 0.469 145 K N 0.412 120.847 120.400 0.059 0.000 2.312 145 K HA 0.202 nan 4.320 nan 0.000 0.287 145 K C 0.758 177.396 176.600 0.064 0.000 1.062 145 K CA 0.027 56.374 56.287 0.100 0.000 0.934 145 K CB 0.345 32.944 32.500 0.165 0.000 1.027 145 K HN -0.010 8.265 8.250 0.041 0.000 0.478 146 R N 6.962 127.509 120.500 0.079 0.000 4.164 146 R HA -0.010 nan 4.340 nan 0.000 0.195 146 R C -0.172 176.210 176.300 0.137 0.000 1.712 146 R CA 0.173 56.307 56.100 0.058 0.000 1.457 146 R CB -1.975 28.393 30.300 0.112 0.000 1.387 146 R HN 0.796 9.122 8.270 0.093 0.000 0.785 147 H N -0.598 118.505 119.070 0.055 0.000 2.657 147 H HA 0.098 nan 4.556 nan 0.000 0.262 147 H C 0.223 175.634 175.328 0.137 0.000 0.965 147 H CA 1.268 57.389 56.048 0.121 0.000 1.184 147 H CB 1.898 31.765 29.762 0.175 0.000 1.443 147 H HN 0.304 8.531 8.280 0.074 0.098 0.462 148 E N -2.300 117.559 120.200 -0.569 0.000 2.447 148 E HA 0.050 nan 4.350 nan 0.000 0.204 148 E C 0.340 176.597 176.600 -0.571 0.000 0.977 148 E CA -0.361 55.765 56.400 -0.457 0.000 0.950 148 E CB 1.146 30.410 29.700 -0.726 0.000 0.975 148 E HN -0.677 7.293 8.360 -0.651 0.000 0.496 149 M N 1.781 121.036 119.600 -0.574 0.000 2.495 149 M HA 0.411 nan 4.480 nan 0.000 0.346 149 M C -2.423 173.578 176.300 -0.498 0.000 1.251 149 M CA -3.440 51.343 55.300 -0.862 0.000 1.249 149 M CB -1.626 30.516 32.600 -0.763 0.000 1.229 149 M HN -0.621 7.486 8.290 -0.400 -0.056 0.450 150 P HA 0.512 nan 4.420 nan 0.000 0.288 150 P C -2.284 174.781 177.300 -0.391 0.000 1.297 150 P CA -2.557 60.243 63.100 -0.499 0.000 0.864 150 P CB -0.231 30.859 31.700 -1.016 0.000 1.237 151 P HA -0.253 nan 4.420 nan 0.000 0.243 151 P C -1.782 175.365 177.300 -0.254 0.000 1.107 151 P CA 1.226 63.814 63.100 -0.853 0.000 0.848 151 P CB -1.083 30.023 31.700 -0.990 0.000 0.771 152 H N 0.959 119.797 119.070 -0.387 0.000 3.024 152 H HA 0.100 nan 4.556 nan 0.000 0.324 152 H C -0.487 174.383 175.328 -0.763 0.000 1.347 152 H CA -1.543 54.037 56.048 -0.780 0.000 1.182 152 H CB 3.462 32.955 29.762 -0.448 0.000 1.889 152 H HN -0.586 7.609 8.280 -0.142 0.000 0.528 153 I N 2.769 122.779 120.570 -0.933 0.000 2.226 153 I HA -0.345 nan 4.170 nan 0.000 0.245 153 I C 0.798 176.722 176.117 -0.322 0.000 1.100 153 I CA 1.823 62.898 61.300 -0.375 0.000 1.374 153 I CB 0.398 38.315 38.000 -0.139 0.000 1.057 153 I HN 0.630 7.834 8.210 -1.676 0.000 0.413 154 Y N -1.882 117.824 120.300 -0.991 0.000 2.069 154 Y HA -0.515 nan 4.550 nan 0.000 0.278 154 Y C 1.560 176.944 175.900 -0.860 0.000 1.175 154 Y CA 3.059 60.249 58.100 -1.516 0.000 1.134 154 Y CB -2.122 34.925 38.460 -2.356 0.000 0.965 154 Y HN -0.165 7.736 8.280 -0.632 0.000 0.498 155 A N -1.763 120.974 122.820 -0.139 0.000 1.865 155 A HA -0.351 nan 4.320 nan 0.000 0.217 155 A C 2.157 179.842 177.584 0.169 0.000 1.191 155 A CA 2.790 54.953 52.037 0.209 0.000 0.623 155 A CB -1.185 17.937 19.000 0.203 0.000 0.826 155 A HN 0.078 8.019 8.150 -0.199 0.090 0.444 156 I N -4.542 116.117 120.570 0.148 0.000 2.127 156 I HA -0.536 nan 4.170 nan 0.000 0.241 156 I C 1.570 177.745 176.117 0.097 0.000 1.075 156 I CA 3.322 64.714 61.300 0.153 0.000 1.334 156 I CB -0.766 37.339 38.000 0.174 0.000 1.040 156 I HN -0.692 7.593 8.210 0.127 0.000 0.405 157 A N -0.661 122.159 122.820 0.000 0.000 2.032 157 A HA -0.432 nan 4.320 nan 0.000 0.221 157 A C 2.225 179.972 177.584 0.273 0.000 1.165 157 A CA 3.157 55.238 52.037 0.073 0.000 0.645 157 A CB -1.206 17.766 19.000 -0.047 0.000 0.807 157 A HN 0.294 8.345 8.150 -0.093 0.043 0.453 158 D N -3.861 116.738 120.400 0.332 0.000 2.323 158 D HA -0.027 nan 4.640 nan 0.000 0.209 158 D C 2.032 178.474 176.300 0.236 0.000 0.973 158 D CA 3.082 57.337 54.000 0.424 0.000 0.874 158 D CB 0.435 41.532 40.800 0.495 0.000 0.930 158 D HN 0.285 8.744 8.370 0.149 0.000 0.521 159 T N 3.207 117.869 114.554 0.180 0.000 2.737 159 T HA -0.188 nan 4.350 nan 0.000 0.265 159 T C 1.350 176.094 174.700 0.073 0.000 1.038 159 T CA 4.274 66.444 62.100 0.115 0.000 1.144 159 T CB -0.228 68.719 68.868 0.132 0.000 0.866 159 T HN -0.221 7.991 8.240 0.188 0.141 0.434 160 A N 1.681 124.567 122.820 0.110 0.000 1.851 160 A HA -0.246 nan 4.320 nan 0.000 0.216 160 A C 1.200 178.821 177.584 0.062 0.000 1.195 160 A CA 3.319 55.416 52.037 0.099 0.000 0.622 160 A CB -0.961 18.133 19.000 0.158 0.000 0.831 160 A HN 0.418 8.650 8.150 0.136 0.000 0.444 161 Y N -0.445 119.844 120.300 -0.020 0.000 2.207 161 Y HA -0.370 nan 4.550 nan 0.000 0.287 161 Y C 1.974 177.762 175.900 -0.186 0.000 1.156 161 Y CA 3.003 60.989 58.100 -0.191 0.000 1.182 161 Y CB 0.150 38.488 38.460 -0.203 0.000 0.979 161 Y HN -0.286 8.040 8.280 0.272 0.118 0.521 162 R N -2.087 118.274 120.500 -0.232 0.000 2.056 162 R HA -0.286 nan 4.340 nan 0.000 0.227 162 R C 2.010 178.163 176.300 -0.245 0.000 1.149 162 R CA 2.213 58.151 56.100 -0.270 0.000 0.937 162 R CB 0.063 30.300 30.300 -0.105 0.000 0.835 162 R HN -0.169 7.970 8.270 -0.017 0.121 0.430 163 S N 1.129 116.729 115.700 -0.167 0.000 2.369 163 S HA -0.466 nan 4.470 nan 0.000 0.225 163 S C 2.286 176.787 174.600 -0.164 0.000 1.043 163 S CA 3.868 61.964 58.200 -0.173 0.000 1.074 163 S CB -0.310 62.800 63.200 -0.151 0.000 0.962 163 S HN -0.148 8.093 8.310 -0.115 0.000 0.433 164 M N 1.440 120.953 119.600 -0.144 0.000 2.103 164 M HA -0.460 nan 4.480 nan 0.000 0.255 164 M C 1.706 177.917 176.300 -0.148 0.000 1.074 164 M CA 3.950 59.176 55.300 -0.123 0.000 1.090 164 M CB 0.070 32.618 32.600 -0.086 0.000 1.325 164 M HN -0.266 7.950 8.290 -0.123 0.000 0.403 165 L N -4.602 116.481 121.223 -0.234 0.000 2.240 165 L HA -0.286 nan 4.340 nan 0.000 0.211 165 L C 1.668 178.441 176.870 -0.161 0.000 1.106 165 L CA 2.037 56.739 54.840 -0.230 0.000 0.793 165 L CB -0.544 41.282 42.059 -0.389 0.000 0.927 165 L HN -0.505 7.516 8.230 -0.304 0.027 0.446 166 Q N -0.711 118.996 119.800 -0.155 0.000 1.961 166 Q HA -0.173 nan 4.340 nan 0.000 0.197 166 Q C 1.799 177.751 176.000 -0.081 0.000 0.977 166 Q CA 2.583 58.322 55.803 -0.106 0.000 0.830 166 Q CB 0.442 29.108 28.738 -0.121 0.000 0.896 166 Q HN -0.146 7.885 8.270 -0.186 0.128 0.437 167 D N -3.418 116.926 120.400 -0.093 0.000 2.178 167 D HA -0.199 nan 4.640 nan 0.000 0.202 167 D C 0.179 176.452 176.300 -0.045 0.000 0.974 167 D CA 0.689 54.651 54.000 -0.063 0.000 0.841 167 D CB 0.474 41.229 40.800 -0.074 0.000 0.953 167 D HN -0.163 8.034 8.370 -0.121 0.101 0.478 168 R N -2.917 117.547 120.500 -0.061 0.000 3.209 168 R HA -0.419 nan 4.340 nan 0.000 0.252 168 R C -1.396 174.872 176.300 -0.053 0.000 0.958 168 R CA 1.075 57.142 56.100 -0.055 0.000 0.651 168 R CB -2.188 28.092 30.300 -0.033 0.000 1.142 168 R HN 0.000 8.081 8.270 -0.080 0.141 0.441 169 E N -0.275 119.884 120.200 -0.068 0.000 2.246 169 E HA 0.180 nan 4.350 nan 0.000 0.266 169 E C -0.964 175.568 176.600 -0.114 0.000 0.880 169 E CA -1.431 54.929 56.400 -0.067 0.000 0.762 169 E CB 2.576 32.261 29.700 -0.026 0.000 1.180 169 E HN -0.335 8.214 8.360 -0.075 -0.234 0.416 170 D N 4.420 124.701 120.400 -0.199 0.000 2.362 170 D HA 0.105 nan 4.640 nan 0.000 0.242 170 D C -1.070 175.140 176.300 -0.151 0.000 1.132 170 D CA 1.217 55.007 54.000 -0.351 0.000 0.907 170 D CB 1.398 41.685 40.800 -0.855 0.000 1.195 170 D HN 0.199 8.461 8.370 -0.180 0.000 0.429 171 Q N -1.273 118.478 119.800 -0.081 0.000 2.353 171 Q HA 0.673 nan 4.340 nan 0.000 0.268 171 Q C -1.223 174.862 176.000 0.142 0.000 1.045 171 Q CA -1.563 54.275 55.803 0.058 0.000 0.811 171 Q CB 4.162 32.953 28.738 0.089 0.000 1.305 171 Q HN -0.004 8.170 8.270 -0.160 0.000 0.447 172 S N 1.005 116.786 115.700 0.136 0.000 2.536 172 S HA 0.900 nan 4.470 nan 0.000 0.298 172 S C -1.034 173.598 174.600 0.053 0.000 1.083 172 S CA -1.860 56.427 58.200 0.146 0.000 0.995 172 S CB 2.467 65.783 63.200 0.193 0.000 1.058 172 S HN 1.018 9.283 8.310 0.108 0.111 0.488 173 I N 2.088 122.665 120.570 0.011 0.000 2.478 173 I HA 0.523 nan 4.170 nan 0.000 0.287 173 I C -2.070 173.964 176.117 -0.138 0.000 1.042 173 I CA -0.537 60.726 61.300 -0.062 0.000 1.067 173 I CB 2.753 40.755 38.000 0.003 0.000 1.233 173 I HN 0.965 9.097 8.210 0.045 0.105 0.431 174 L N 5.505 126.503 121.223 -0.374 0.000 2.404 174 L HA 0.505 nan 4.340 nan 0.000 0.272 174 L C -1.199 175.454 176.870 -0.360 0.000 0.980 174 L CA -1.323 53.259 54.840 -0.429 0.000 0.836 174 L CB 2.832 44.418 42.059 -0.788 0.000 1.238 174 L HN 0.539 8.476 8.230 -0.488 0.000 0.408 175 C N 4.833 124.076 119.300 -0.096 0.000 2.500 175 C HA 0.548 nan 4.460 nan 0.000 0.367 175 C C 0.177 175.208 174.990 0.069 0.000 1.283 175 C CA -0.212 58.814 59.018 0.013 0.000 2.456 175 C CB 1.157 28.915 27.740 0.030 0.000 2.457 175 C HN 0.620 8.817 8.230 -0.055 0.000 0.632 176 T N -2.339 112.280 114.554 0.109 0.000 2.773 176 T HA 0.536 nan 4.350 nan 0.000 0.278 176 T C -0.963 173.772 174.700 0.059 0.000 1.011 176 T CA -2.439 59.730 62.100 0.116 0.000 1.014 176 T CB 2.468 71.410 68.868 0.123 0.000 1.293 176 T HN 0.334 8.632 8.240 0.096 0.000 0.554 177 G N 0.048 108.881 108.800 0.054 0.000 2.814 177 G HA2 -0.359 nan 3.960 nan 0.000 0.677 177 G HA3 -0.359 nan 3.960 nan 0.000 0.677 177 G C -1.122 173.757 174.900 -0.035 0.000 1.429 177 G CA -0.298 44.773 45.100 -0.048 0.000 0.868 177 G HN -0.158 8.200 8.290 0.114 0.000 0.553 178 E N -0.604 119.527 120.200 -0.114 0.000 3.136 178 E HA 0.143 nan 4.350 nan 0.000 0.271 178 E C 0.021 176.636 176.600 0.026 0.000 1.454 178 E CA -0.600 55.805 56.400 0.008 0.000 1.194 178 E CB 0.859 30.531 29.700 -0.048 0.000 1.175 178 E HN 0.301 8.552 8.360 -0.180 0.000 0.726 179 S N 0.233 115.954 115.700 0.034 0.000 2.515 179 S HA -0.283 nan 4.470 nan 0.000 0.285 179 S C 0.646 175.243 174.600 -0.006 0.000 1.265 179 S CA 1.936 60.124 58.200 -0.020 0.000 1.079 179 S CB -0.069 63.052 63.200 -0.132 0.000 0.877 179 S HN -0.367 7.983 8.310 0.068 0.000 0.493 180 G N 6.774 115.571 108.800 -0.005 0.000 2.198 180 G HA2 -0.307 nan 3.960 nan 0.000 0.260 180 G HA3 -0.307 nan 3.960 nan 0.000 0.260 180 G C -0.605 174.150 174.900 -0.243 0.000 1.025 180 G CA 0.538 45.611 45.100 -0.046 0.000 0.769 180 G HN 0.293 8.582 8.290 -0.002 0.000 0.507 181 A N -0.706 122.012 122.820 -0.172 0.000 2.310 181 A HA 0.101 nan 4.320 nan 0.000 0.230 181 A C -0.485 176.974 177.584 -0.210 0.000 1.294 181 A CA -0.413 51.499 52.037 -0.208 0.000 0.898 181 A CB -0.462 18.455 19.000 -0.139 0.000 0.917 181 A HN -0.045 7.985 8.150 -0.097 0.062 0.491 182 G N -0.981 107.673 108.800 -0.243 0.000 2.272 182 G HA2 -0.293 nan 3.960 nan 0.000 0.280 182 G HA3 -0.293 nan 3.960 nan 0.000 0.280 182 G C 0.687 175.533 174.900 -0.090 0.000 1.067 182 G CA 0.436 45.419 45.100 -0.194 0.000 0.902 182 G HN -0.099 7.959 8.290 -0.268 0.071 0.500 183 K N 0.349 120.706 120.400 -0.072 0.000 1.980 183 K HA -0.175 nan 4.320 nan 0.000 0.208 183 K C 1.851 178.426 176.600 -0.041 0.000 1.043 183 K CA 2.730 58.998 56.287 -0.031 0.000 0.938 183 K CB -0.585 31.904 32.500 -0.019 0.000 0.724 183 K HN 0.053 8.214 8.250 -0.089 0.036 0.438 184 T N 0.676 115.189 114.554 -0.068 0.000 2.731 184 T HA -0.420 nan 4.350 nan 0.000 0.259 184 T C 2.185 176.842 174.700 -0.072 0.000 1.054 184 T CA 4.634 66.683 62.100 -0.085 0.000 1.158 184 T CB -0.554 68.254 68.868 -0.101 0.000 0.847 184 T HN -0.268 8.092 8.240 -0.070 -0.162 0.470 185 E N -1.305 118.852 120.200 -0.072 0.000 2.079 185 E HA -0.001 nan 4.350 nan 0.000 0.191 185 E C 1.920 178.492 176.600 -0.047 0.000 0.961 185 E CA 2.379 58.738 56.400 -0.068 0.000 0.823 185 E CB -0.538 29.117 29.700 -0.074 0.000 0.789 185 E HN 0.067 8.271 8.360 -0.087 0.103 0.459 186 N N 0.489 119.197 118.700 0.013 0.000 2.348 186 N HA -0.247 nan 4.740 nan 0.000 0.185 186 N C 2.641 178.181 175.510 0.050 0.000 1.019 186 N CA 2.738 55.846 53.050 0.098 0.000 0.880 186 N CB -0.231 38.378 38.487 0.203 0.000 0.965 186 N HN -0.438 7.943 8.380 0.002 0.000 0.437 187 T N 2.852 117.412 114.554 0.011 0.000 2.622 187 T HA -0.287 nan 4.350 nan 0.000 0.266 187 T C 1.532 176.221 174.700 -0.017 0.000 1.047 187 T CA 5.391 67.487 62.100 -0.007 0.000 1.159 187 T CB -0.254 68.603 68.868 -0.019 0.000 0.863 187 T HN 0.416 8.646 8.240 0.003 0.011 0.422 188 K N 0.222 120.600 120.400 -0.037 0.000 2.442 188 K HA -0.263 nan 4.320 nan 0.000 0.198 188 K C 2.519 179.081 176.600 -0.063 0.000 1.044 188 K CA 3.003 59.261 56.287 -0.048 0.000 0.948 188 K CB -0.582 31.882 32.500 -0.060 0.000 0.762 188 K HN -0.515 7.635 8.250 -0.043 0.074 0.472 189 K N -0.168 120.187 120.400 -0.075 0.000 2.044 189 K HA -0.131 nan 4.320 nan 0.000 0.204 189 K C 1.959 178.614 176.600 0.093 0.000 1.049 189 K CA 2.231 58.505 56.287 -0.022 0.000 0.945 189 K CB -0.936 31.533 32.500 -0.052 0.000 0.724 189 K HN 0.080 8.254 8.250 -0.073 0.032 0.440 190 V N 0.552 120.495 119.914 0.047 0.000 2.380 190 V HA -0.345 nan 4.120 nan 0.000 0.251 190 V C 2.279 178.399 176.094 0.044 0.000 1.063 190 V CA 3.764 66.088 62.300 0.040 0.000 1.055 190 V CB -0.923 30.920 31.823 0.032 0.000 0.657 190 V HN -0.842 7.301 8.190 0.033 0.066 0.455 191 I N -1.585 118.995 120.570 0.017 0.000 2.099 191 I HA -0.673 nan 4.170 nan 0.000 0.239 191 I C 1.771 177.897 176.117 0.016 0.000 1.066 191 I CA 4.481 65.784 61.300 0.005 0.000 1.324 191 I CB -0.329 37.663 38.000 -0.012 0.000 1.037 191 I HN 0.211 8.426 8.210 0.006 -0.001 0.401 192 Q N -2.055 117.764 119.800 0.033 0.000 2.364 192 Q HA -0.363 nan 4.340 nan 0.000 0.209 192 Q C 2.505 178.531 176.000 0.044 0.000 0.977 192 Q CA 2.673 58.524 55.803 0.080 0.000 0.885 192 Q CB -0.141 28.685 28.738 0.146 0.000 0.941 192 Q HN -0.150 7.947 8.270 0.022 0.186 0.464 193 Y N 0.961 121.086 120.300 -0.292 0.000 2.134 193 Y HA -0.349 nan 4.550 nan 0.000 0.283 193 Y C 1.322 177.031 175.900 -0.319 0.000 1.108 193 Y CA 3.009 60.730 58.100 -0.631 0.000 1.096 193 Y CB 0.801 38.785 38.460 -0.794 0.000 1.005 193 Y HN -0.016 8.103 8.280 0.027 0.176 0.487 194 L N -2.836 118.301 121.223 -0.144 0.000 2.191 194 L HA -0.355 nan 4.340 nan 0.000 0.212 194 L C 2.877 179.680 176.870 -0.112 0.000 1.103 194 L CA 1.854 56.573 54.840 -0.202 0.000 0.769 194 L CB -1.861 40.203 42.059 0.007 0.000 0.908 194 L HN -0.259 7.983 8.230 0.021 0.000 0.438 195 A N -0.680 122.127 122.820 -0.021 0.000 1.986 195 A HA -0.266 nan 4.320 nan 0.000 0.220 195 A C 1.951 179.616 177.584 0.135 0.000 1.171 195 A CA 3.138 55.218 52.037 0.072 0.000 0.640 195 A CB -0.344 18.719 19.000 0.104 0.000 0.811 195 A HN -0.233 7.891 8.150 -0.014 0.017 0.451 196 V N -5.020 114.924 119.914 0.049 0.000 3.432 196 V HA 0.134 nan 4.120 nan 0.000 0.298 196 V C 0.062 176.076 176.094 -0.133 0.000 1.464 196 V CA 0.442 62.753 62.300 0.019 0.000 1.046 196 V CB 0.273 32.123 31.823 0.045 0.000 0.887 196 V HN -0.581 7.586 8.190 -0.022 0.009 0.441 197 V N 1.279 120.999 119.914 -0.322 0.000 2.278 197 V HA -0.044 nan 4.120 nan 0.000 0.238 197 V C 0.609 176.447 176.094 -0.426 0.000 1.039 197 V CA 3.453 65.451 62.300 -0.503 0.000 1.017 197 V CB -0.086 31.090 31.823 -1.079 0.000 0.657 197 V HN 0.069 7.958 8.190 -0.342 0.096 0.462 198 A N -3.116 119.372 122.820 -0.552 0.000 2.119 198 A HA -0.010 nan 4.320 nan 0.000 0.216 198 A C -0.135 177.430 177.584 -0.032 0.000 1.152 198 A CA 1.525 53.178 52.037 -0.640 0.000 0.708 198 A CB 0.479 19.031 19.000 -0.746 0.000 0.805 198 A HN -0.393 7.365 8.150 -0.486 0.100 0.460 199 S N -2.127 113.614 115.700 0.067 0.000 2.681 199 S HA 0.112 nan 4.470 nan 0.000 0.270 199 S C -0.228 174.511 174.600 0.231 0.000 1.209 199 S CA -0.925 57.399 58.200 0.205 0.000 0.988 199 S CB 1.264 64.534 63.200 0.116 0.000 1.006 199 S HN -0.828 7.397 8.310 -0.032 0.066 0.558 200 S N -0.876 114.868 115.700 0.073 0.000 2.489 200 S HA 0.009 nan 4.470 nan 0.000 0.277 200 S C -0.525 174.054 174.600 -0.035 0.000 1.230 200 S CA -0.673 57.459 58.200 -0.113 0.000 1.053 200 S CB 0.771 63.771 63.200 -0.333 0.000 0.955 200 S HN -0.338 8.162 8.310 0.035 -0.169 0.488 201 H N 3.745 122.849 119.070 0.056 0.000 2.955 201 H HA 0.018 nan 4.556 nan 0.000 0.290 201 H C 0.077 175.414 175.328 0.016 0.000 1.047 201 H CA -1.226 54.856 56.048 0.056 0.000 1.484 201 H CB -0.234 29.576 29.762 0.079 0.000 1.501 201 H HN 0.082 7.951 8.280 -0.686 0.000 0.521 202 K N 6.670 127.114 120.400 0.073 0.000 2.034 202 K HA -0.337 nan 4.320 nan 0.000 0.225 202 K C -0.017 176.590 176.600 0.012 0.000 1.190 202 K CA -0.648 55.644 56.287 0.008 0.000 1.152 202 K CB -1.713 30.777 32.500 -0.017 0.000 1.300 202 K HN 0.258 8.564 8.250 0.093 0.000 0.268 203 G N 4.184 113.005 108.800 0.035 0.000 2.559 203 G HA2 -0.488 nan 3.960 nan 0.000 0.282 203 G HA3 -0.488 nan 3.960 nan 0.000 0.282 203 G C -1.120 173.867 174.900 0.144 0.000 1.177 203 G CA 0.214 45.349 45.100 0.059 0.000 0.960 203 G HN 0.186 8.459 8.290 0.018 0.028 0.540 212 G N 4.308 113.137 108.800 0.048 0.000 2.611 212 G HA2 -0.327 nan 3.960 nan 0.000 0.301 212 G HA3 -0.327 nan 3.960 nan 0.000 0.301 212 G C -2.084 172.878 174.900 0.103 0.000 1.233 212 G CA 0.505 45.644 45.100 0.066 0.000 0.993 212 G HN 0.206 8.515 8.290 0.031 0.000 0.553 213 P HA 0.104 nan 4.420 nan 0.000 0.251 213 P C -0.872 176.574 177.300 0.244 0.000 1.223 213 P CA 0.664 63.890 63.100 0.209 0.000 0.796 213 P CB 0.236 32.050 31.700 0.190 0.000 1.068 214 S N 1.571 117.379 115.700 0.180 0.000 2.422 214 S HA 0.126 nan 4.470 nan 0.000 0.283 214 S C -1.282 173.458 174.600 0.232 0.000 1.163 214 S CA 0.086 58.398 58.200 0.187 0.000 1.054 214 S CB -0.249 63.029 63.200 0.130 0.000 0.967 214 S HN -0.480 7.858 8.310 0.141 0.057 0.499 215 F N 4.961 124.879 119.950 -0.053 0.000 2.770 215 F HA 0.077 nan 4.527 nan 0.000 0.313 215 F C -2.069 173.594 175.800 -0.228 0.000 1.154 215 F CA -0.767 57.117 58.000 -0.192 0.000 0.923 215 F CB 3.432 42.221 39.000 -0.351 0.000 1.301 215 F HN -0.512 7.930 8.300 0.237 0.000 0.449 216 S N 3.731 119.018 115.700 -0.689 0.000 2.411 216 S HA 0.120 nan 4.470 nan 0.000 0.304 216 S C -1.040 173.416 174.600 -0.241 0.000 1.098 216 S CA -0.396 57.577 58.200 -0.379 0.000 1.068 216 S CB -0.372 62.585 63.200 -0.404 0.000 1.032 216 S HN 0.046 7.473 8.310 -1.473 0.000 0.511 217 Y N 5.690 126.030 120.300 0.067 0.000 2.299 217 Y HA -0.015 nan 4.550 nan 0.000 0.335 217 Y C 1.061 176.994 175.900 0.054 0.000 1.287 217 Y CA 0.698 58.868 58.100 0.117 0.000 1.424 217 Y CB 0.950 39.473 38.460 0.105 0.000 1.326 217 Y HN -0.468 7.999 8.280 0.312 0.000 0.567 218 G N -1.516 107.411 108.800 0.211 0.000 2.651 218 G HA2 -0.056 nan 3.960 nan 0.000 0.260 218 G HA3 -0.056 nan 3.960 nan 0.000 0.260 218 G C -0.690 174.269 174.900 0.100 0.000 1.216 218 G CA -1.363 43.804 45.100 0.112 0.000 0.913 218 G HN 0.271 8.713 8.290 0.254 0.000 0.535 219 E N -1.346 118.886 120.200 0.054 0.000 2.007 219 E HA -0.384 nan 4.350 nan 0.000 0.194 219 E C 2.697 179.322 176.600 0.041 0.000 0.999 219 E CA 3.427 59.853 56.400 0.042 0.000 0.811 219 E CB -0.448 29.264 29.700 0.020 0.000 0.762 219 E HN 0.165 8.546 8.360 0.035 0.000 0.450 220 L N -1.934 119.308 121.223 0.033 0.000 2.141 220 L HA -0.212 nan 4.340 nan 0.000 0.209 220 L C 1.482 178.372 176.870 0.034 0.000 1.094 220 L CA 2.893 57.749 54.840 0.026 0.000 0.763 220 L CB -0.386 41.684 42.059 0.018 0.000 0.908 220 L HN -0.118 8.129 8.230 0.029 0.000 0.437 221 E N -2.003 118.231 120.200 0.056 0.000 2.152 221 E HA -0.341 nan 4.350 nan 0.000 0.192 221 E C 2.168 178.791 176.600 0.039 0.000 0.983 221 E CA 3.640 60.081 56.400 0.069 0.000 0.818 221 E CB -0.963 28.810 29.700 0.121 0.000 0.758 221 E HN 0.018 8.375 8.360 0.067 0.042 0.467 222 K N 0.305 120.733 120.400 0.047 0.000 2.032 222 K HA -0.388 nan 4.320 nan 0.000 0.209 222 K C 2.337 178.914 176.600 -0.039 0.000 1.048 222 K CA 3.390 59.659 56.287 -0.030 0.000 0.927 222 K CB -0.084 32.437 32.500 0.035 0.000 0.712 222 K HN -0.193 8.111 8.250 0.090 0.000 0.441 223 Q N -1.150 118.653 119.800 0.005 0.000 2.226 223 Q HA -0.304 nan 4.340 nan 0.000 0.204 223 Q C 2.759 178.765 176.000 0.010 0.000 0.975 223 Q CA 2.781 58.596 55.803 0.020 0.000 0.866 223 Q CB -0.071 28.689 28.738 0.036 0.000 0.915 223 Q HN -0.625 7.575 8.270 0.020 0.082 0.440 224 L N -0.660 120.561 121.223 -0.003 0.000 2.083 224 L HA -0.253 nan 4.340 nan 0.000 0.209 224 L C 0.914 177.769 176.870 -0.025 0.000 1.083 224 L CA 2.970 57.804 54.840 -0.010 0.000 0.752 224 L CB -0.304 41.750 42.059 -0.007 0.000 0.899 224 L HN 0.258 8.278 8.230 0.002 0.211 0.433 225 L N -3.177 118.009 121.223 -0.061 0.000 2.068 225 L HA -0.178 nan 4.340 nan 0.000 0.204 225 L C 2.081 178.922 176.870 -0.049 0.000 1.076 225 L CA 2.757 57.547 54.840 -0.084 0.000 0.753 225 L CB -0.178 41.767 42.059 -0.189 0.000 0.910 225 L HN -0.731 7.335 8.230 -0.075 0.119 0.439 226 Q N -2.506 117.270 119.800 -0.041 0.000 2.437 226 Q HA -0.273 nan 4.340 nan 0.000 0.210 226 Q C 2.515 178.526 176.000 0.019 0.000 0.972 226 Q CA 1.494 57.290 55.803 -0.012 0.000 0.903 226 Q CB -1.256 27.481 28.738 -0.001 0.000 0.967 226 Q HN 0.107 8.344 8.270 -0.054 0.000 0.486 227 A N 1.122 123.963 122.820 0.034 0.000 1.883 227 A HA -0.343 nan 4.320 nan 0.000 0.217 227 A C 1.685 179.310 177.584 0.068 0.000 1.186 227 A CA 3.303 55.378 52.037 0.064 0.000 0.624 227 A CB -0.780 18.253 19.000 0.055 0.000 0.822 227 A HN 0.345 8.384 8.150 0.021 0.124 0.444 228 N N -2.274 116.457 118.700 0.051 0.000 2.135 228 N HA 0.089 nan 4.740 nan 0.000 0.186 228 N C -1.011 174.533 175.510 0.056 0.000 1.027 228 N CA 4.507 57.599 53.050 0.071 0.000 0.849 228 N CB -1.625 36.888 38.487 0.043 0.000 1.002 228 N HN -0.457 7.915 8.380 0.027 0.025 0.425 229 P HA -0.148 nan 4.420 nan 0.000 0.219 229 P C 1.767 179.047 177.300 -0.033 0.000 1.146 229 P CA 2.638 65.742 63.100 0.006 0.000 0.808 229 P CB -0.543 31.159 31.700 0.002 0.000 0.779 230 I N -1.735 118.817 120.570 -0.030 0.000 2.142 230 I HA -0.442 nan 4.170 nan 0.000 0.240 230 I C 1.977 178.098 176.117 0.008 0.000 1.078 230 I CA 3.733 65.003 61.300 -0.052 0.000 1.343 230 I CB -0.264 37.699 38.000 -0.061 0.000 1.046 230 I HN -0.947 7.244 8.210 -0.006 0.016 0.405 231 L N -1.535 119.760 121.223 0.121 0.000 2.083 231 L HA -0.436 nan 4.340 nan 0.000 0.209 231 L C 1.552 178.509 176.870 0.145 0.000 1.083 231 L CA 3.115 58.081 54.840 0.210 0.000 0.752 231 L CB -0.400 41.887 42.059 0.380 0.000 0.899 231 L HN -0.637 7.663 8.230 0.118 0.000 0.433 232 E N -4.747 115.493 120.200 0.068 0.000 2.418 232 E HA -0.236 nan 4.350 nan 0.000 0.197 232 E C 0.678 177.140 176.600 -0.231 0.000 1.026 232 E CA 1.797 58.158 56.400 -0.065 0.000 0.862 232 E CB 0.031 29.694 29.700 -0.061 0.000 0.799 232 E HN -0.103 8.303 8.360 0.077 0.000 0.518 233 A N -1.519 121.119 122.820 -0.303 0.000 1.843 233 A HA -0.009 nan 4.320 nan 0.000 0.213 233 A C 1.290 178.554 177.584 -0.533 0.000 1.202 233 A CA 2.160 53.862 52.037 -0.558 0.000 0.607 233 A CB 0.620 19.034 19.000 -0.976 0.000 0.847 233 A HN -0.512 7.391 8.150 -0.265 0.087 0.445 234 F N -2.714 117.209 119.950 -0.044 0.000 2.660 234 F HA -0.050 nan 4.527 nan 0.000 0.342 234 F C -0.616 174.949 175.800 -0.392 0.000 1.195 234 F CA -1.231 56.713 58.000 -0.094 0.000 1.300 234 F CB -1.786 37.165 39.000 -0.081 0.000 1.616 234 F HN -0.407 7.560 8.300 -0.445 0.066 0.592 235 G N -1.049 107.685 108.800 -0.111 0.000 3.288 235 G HA2 -0.192 nan 3.960 nan 0.000 0.219 235 G HA3 -0.192 nan 3.960 nan 0.000 0.219 235 G C -2.136 172.970 174.900 0.344 0.000 0.944 235 G CA 0.119 45.144 45.100 -0.125 0.000 0.854 235 G HN -0.305 7.961 8.290 0.035 0.045 0.632 236 N N 1.098 119.890 118.700 0.153 0.000 2.284 236 N HA 0.764 nan 4.740 nan 0.000 0.300 236 N C -2.883 172.559 175.510 -0.115 0.000 1.047 236 N CA -0.525 52.479 53.050 -0.077 0.000 0.821 236 N CB 3.255 41.529 38.487 -0.355 0.000 1.337 236 N HN -0.865 7.542 8.380 0.044 0.000 0.482 237 A N 2.114 124.902 122.820 -0.054 0.000 2.488 237 A HA 0.480 nan 4.320 nan 0.000 0.298 237 A C -2.169 175.426 177.584 0.020 0.000 1.044 237 A CA -1.323 50.696 52.037 -0.029 0.000 0.693 237 A CB 3.756 22.527 19.000 -0.382 0.000 1.272 237 A HN 0.993 8.991 8.150 -0.062 0.115 0.402 238 K N 2.270 122.683 120.400 0.023 0.000 2.440 238 K HA -0.036 nan 4.320 nan 0.000 0.270 238 K C -0.451 176.117 176.600 -0.054 0.000 0.980 238 K CA 0.692 56.966 56.287 -0.021 0.000 0.953 238 K CB 0.602 33.039 32.500 -0.104 0.000 0.925 238 K HN 0.411 8.670 8.250 0.015 0.000 0.497 239 T N -3.311 111.235 114.554 -0.014 0.000 2.773 239 T HA 0.428 nan 4.350 nan 0.000 0.278 239 T C 0.487 175.191 174.700 0.007 0.000 1.011 239 T CA -1.945 60.129 62.100 -0.043 0.000 1.014 239 T CB 3.120 72.007 68.868 0.032 0.000 1.293 239 T HN 0.110 8.234 8.240 0.029 0.133 0.554 240 V N -6.084 113.842 119.914 0.020 0.000 2.490 240 V HA -0.252 nan 4.120 nan 0.000 0.250 240 V C 1.324 177.498 176.094 0.134 0.000 1.061 240 V CA 3.248 65.593 62.300 0.075 0.000 1.064 240 V CB -0.556 31.321 31.823 0.090 0.000 0.670 240 V HN 0.265 8.719 8.190 -0.077 -0.310 0.461 241 K N -0.061 120.496 120.400 0.263 0.000 2.029 241 K HA -0.143 nan 4.320 nan 0.000 0.205 241 K C -0.077 176.610 176.600 0.144 0.000 1.042 241 K CA 2.992 59.396 56.287 0.196 0.000 0.949 241 K CB 0.648 33.273 32.500 0.209 0.000 0.740 241 K HN -0.098 8.379 8.250 0.419 0.025 0.442 242 N N -2.168 116.643 118.700 0.184 0.000 2.346 242 N HA 0.199 nan 4.740 nan 0.000 0.289 242 N C -0.646 174.936 175.510 0.119 0.000 1.027 242 N CA -1.443 51.715 53.050 0.180 0.000 0.864 242 N CB 1.497 40.127 38.487 0.238 0.000 1.370 242 N HN -0.055 8.460 8.380 0.226 0.000 0.481 243 D N 5.217 125.672 120.400 0.091 0.000 2.234 243 D HA -0.210 nan 4.640 nan 0.000 0.205 243 D C -0.396 175.968 176.300 0.108 0.000 0.962 243 D CA 2.994 57.020 54.000 0.042 0.000 0.855 243 D CB 0.510 41.303 40.800 -0.012 0.000 0.951 243 D HN 0.522 8.953 8.370 0.102 0.000 0.500 244 N N -0.818 117.982 118.700 0.168 0.000 3.228 244 N HA 0.054 nan 4.740 nan 0.000 0.289 244 N C -1.371 174.204 175.510 0.108 0.000 1.419 244 N CA -0.615 52.571 53.050 0.226 0.000 1.088 244 N CB 0.109 38.721 38.487 0.209 0.000 1.357 244 N HN -0.531 8.136 8.380 0.158 -0.192 0.504 245 S N 0.392 116.146 115.700 0.090 0.000 2.601 245 S HA 0.031 nan 4.470 nan 0.000 0.271 245 S C -0.731 173.850 174.600 -0.032 0.000 1.305 245 S CA 0.401 58.626 58.200 0.042 0.000 1.022 245 S CB 1.787 65.032 63.200 0.076 0.000 0.940 245 S HN -0.557 7.774 8.310 0.113 0.047 0.525 246 S N 4.218 119.876 115.700 -0.070 0.000 2.399 246 S HA 0.190 nan 4.470 nan 0.000 0.301 246 S C -0.693 173.859 174.600 -0.079 0.000 1.093 246 S CA 0.348 58.450 58.200 -0.165 0.000 1.077 246 S CB 0.318 63.327 63.200 -0.319 0.000 0.980 246 S HN 0.356 8.639 8.310 -0.046 0.000 0.494 247 R N 6.499 127.033 120.500 0.056 0.000 2.547 247 R HA 0.084 nan 4.340 nan 0.000 0.258 247 R C -2.121 174.381 176.300 0.336 0.000 1.115 247 R CA -1.189 55.010 56.100 0.165 0.000 1.152 247 R CB 0.009 30.378 30.300 0.116 0.000 1.221 247 R HN 0.218 8.549 8.270 0.101 0.000 0.539 248 F N -5.420 114.577 119.950 0.079 0.000 2.628 248 F HA 0.615 nan 4.527 nan 0.000 0.309 248 F C -1.976 173.910 175.800 0.142 0.000 1.108 248 F CA -2.449 55.632 58.000 0.135 0.000 0.971 248 F CB 3.426 42.537 39.000 0.186 0.000 1.279 248 F HN -0.844 7.315 8.300 -0.014 0.133 0.441 249 G N -0.591 108.315 108.800 0.176 0.000 2.410 249 G HA2 0.673 nan 3.960 nan 0.000 0.330 249 G HA3 0.673 nan 3.960 nan 0.000 0.330 249 G C -2.555 172.576 174.900 0.385 0.000 1.142 249 G CA -1.352 43.820 45.100 0.120 0.000 0.902 249 G HN -0.009 8.467 8.290 0.310 0.000 0.491 250 K N -0.895 119.706 120.400 0.335 0.000 2.551 250 K HA 0.736 nan 4.320 nan 0.000 0.269 250 K C -2.540 174.340 176.600 0.467 0.000 0.949 250 K CA -1.668 54.897 56.287 0.464 0.000 0.849 250 K CB 3.867 36.606 32.500 0.398 0.000 1.411 250 K HN 0.610 8.870 8.250 0.206 0.113 0.432 251 F N 0.172 120.331 119.950 0.350 0.000 2.425 251 F HA 0.576 nan 4.527 nan 0.000 0.331 251 F C -1.839 174.035 175.800 0.124 0.000 1.085 251 F CA -1.631 56.496 58.000 0.211 0.000 1.028 251 F CB 3.367 42.524 39.000 0.261 0.000 1.177 251 F HN 0.057 8.751 8.300 0.656 0.000 0.487 252 I N 4.030 124.285 120.570 -0.526 0.000 2.846 252 I HA 0.538 nan 4.170 nan 0.000 0.307 252 I C -1.616 174.057 176.117 -0.740 0.000 1.053 252 I CA -1.949 59.094 61.300 -0.427 0.000 1.050 252 I CB 3.483 41.359 38.000 -0.208 0.000 1.239 252 I HN 0.978 8.735 8.210 -0.756 0.000 0.439 253 R N 2.749 122.989 120.500 -0.433 0.000 2.604 253 R HA 0.532 nan 4.340 nan 0.000 0.281 253 R C -1.548 174.611 176.300 -0.235 0.000 1.020 253 R CA -0.614 55.281 56.100 -0.342 0.000 0.899 253 R CB 4.153 34.266 30.300 -0.312 0.000 1.205 253 R HN -0.274 7.743 8.270 -0.297 0.075 0.450 254 I N 4.127 124.552 120.570 -0.242 0.000 2.502 254 I HA 0.158 nan 4.170 nan 0.000 0.276 254 I C -1.197 174.501 176.117 -0.699 0.000 1.057 254 I CA -1.224 59.826 61.300 -0.415 0.000 1.163 254 I CB 0.554 38.313 38.000 -0.401 0.000 1.288 254 I HN 0.565 8.608 8.210 -0.173 0.063 0.479 255 N N 7.646 126.105 118.700 -0.402 0.000 2.420 255 N HA 0.142 nan 4.740 nan 0.000 0.262 255 N C -1.151 174.189 175.510 -0.283 0.000 1.144 255 N CA 0.244 53.157 53.050 -0.227 0.000 0.952 255 N CB 0.317 38.774 38.487 -0.050 0.000 1.081 255 N HN 0.341 8.412 8.380 -0.285 0.138 0.480 256 F N 3.773 123.824 119.950 0.169 0.000 2.399 256 F HA 0.294 nan 4.527 nan 0.000 0.334 256 F C 0.228 176.104 175.800 0.127 0.000 1.097 256 F CA -1.162 56.931 58.000 0.156 0.000 1.076 256 F CB 1.388 40.493 39.000 0.174 0.000 1.162 256 F HN 0.623 8.774 8.300 -0.021 0.136 0.495 257 D N 1.798 122.392 120.400 0.323 0.000 1.976 257 D HA -0.176 nan 4.640 nan 0.000 0.285 257 D C 1.286 177.679 176.300 0.157 0.000 1.092 257 D CA 1.646 55.774 54.000 0.213 0.000 0.993 257 D CB 0.268 41.200 40.800 0.220 0.000 1.167 257 D HN 0.115 8.720 8.370 0.390 0.000 0.454 258 V N -2.688 117.301 119.914 0.126 0.000 2.403 258 V HA -0.024 nan 4.120 nan 0.000 0.239 258 V C 1.899 178.027 176.094 0.056 0.000 1.041 258 V CA 2.334 64.682 62.300 0.081 0.000 1.051 258 V CB 0.069 31.936 31.823 0.074 0.000 0.704 258 V HN 0.167 8.443 8.190 0.143 0.000 0.472 259 T N -3.502 111.101 114.554 0.081 0.000 2.915 259 T HA -0.069 nan 4.350 nan 0.000 0.269 259 T C 0.753 175.367 174.700 -0.143 0.000 1.071 259 T CA 1.346 63.457 62.100 0.019 0.000 1.132 259 T CB 0.470 69.419 68.868 0.135 0.000 0.878 259 T HN -0.106 8.387 8.240 0.132 -0.174 0.479 260 G N -0.510 108.249 108.800 -0.068 0.000 2.370 260 G HA2 -0.121 nan 3.960 nan 0.000 0.174 260 G HA3 -0.121 nan 3.960 nan 0.000 0.174 260 G C -0.407 174.550 174.900 0.096 0.000 1.002 260 G CA -0.593 44.458 45.100 -0.082 0.000 0.730 260 G HN -0.857 7.961 8.290 0.112 -0.461 0.497 261 Y N 0.513 120.966 120.300 0.256 0.000 2.330 261 Y HA -0.150 nan 4.550 nan 0.000 0.341 261 Y C 0.136 176.279 175.900 0.405 0.000 1.278 261 Y CA -0.237 58.020 58.100 0.263 0.000 1.453 261 Y CB 0.636 39.177 38.460 0.134 0.000 1.342 261 Y HN -0.130 8.493 8.280 0.186 -0.231 0.590 262 I N 0.218 121.093 120.570 0.510 0.000 2.671 262 I HA -0.250 nan 4.170 nan 0.000 0.285 262 I C -0.283 175.939 176.117 0.174 0.000 1.148 262 I CA 1.417 62.895 61.300 0.297 0.000 1.386 262 I CB -1.377 36.721 38.000 0.164 0.000 1.406 262 I HN 0.191 8.663 8.210 0.436 0.000 0.540 263 V N 7.686 127.669 119.914 0.115 0.000 2.672 263 V HA 0.226 nan 4.120 nan 0.000 0.242 263 V C -0.394 175.696 176.094 -0.006 0.000 1.059 263 V CA 0.680 63.017 62.300 0.062 0.000 1.081 263 V CB 1.493 33.364 31.823 0.081 0.000 0.752 263 V HN 0.685 8.853 8.190 0.121 0.094 0.472 264 G N -1.930 106.833 108.800 -0.061 0.000 2.533 264 G HA2 0.328 nan 3.960 nan 0.000 0.304 264 G HA3 0.328 nan 3.960 nan 0.000 0.304 264 G C -2.876 171.945 174.900 -0.132 0.000 1.263 264 G CA -0.944 44.103 45.100 -0.088 0.000 0.964 264 G HN -0.263 7.860 8.290 -0.098 0.108 0.479 265 A N 0.925 123.679 122.820 -0.111 0.000 2.679 265 A HA 0.258 nan 4.320 nan 0.000 0.288 265 A C -2.361 175.159 177.584 -0.106 0.000 1.160 265 A CA -0.287 51.681 52.037 -0.115 0.000 0.763 265 A CB 1.185 20.139 19.000 -0.077 0.000 1.270 265 A HN -0.064 7.946 8.150 -0.093 0.084 0.417 266 N N 4.735 123.352 118.700 -0.138 0.000 2.558 266 N HA 0.232 nan 4.740 nan 0.000 0.242 266 N C -1.334 174.104 175.510 -0.120 0.000 0.979 266 N CA -0.886 52.089 53.050 -0.125 0.000 0.931 266 N CB 1.805 40.209 38.487 -0.138 0.000 1.122 266 N HN 0.287 8.438 8.380 -0.171 0.127 0.508 267 I N 5.959 126.491 120.570 -0.063 0.000 2.315 267 I HA 0.002 nan 4.170 nan 0.000 0.291 267 I C -1.653 174.476 176.117 0.020 0.000 1.006 267 I CA -0.870 60.431 61.300 0.001 0.000 1.265 267 I CB 0.986 39.023 38.000 0.062 0.000 1.387 267 I HN 0.578 9.059 8.210 -0.059 -0.307 0.475 268 E N 9.018 129.266 120.200 0.082 0.000 2.191 268 E HA 0.308 nan 4.350 nan 0.000 0.263 268 E C -2.009 174.526 176.600 -0.109 0.000 0.881 268 E CA -2.135 54.247 56.400 -0.030 0.000 0.757 268 E CB 3.701 33.393 29.700 -0.013 0.000 1.147 268 E HN 0.659 9.004 8.360 0.164 0.113 0.414 269 T N 7.201 121.635 114.554 -0.201 0.000 2.837 269 T HA 0.504 nan 4.350 nan 0.000 0.285 269 T C -0.166 174.296 174.700 -0.397 0.000 0.984 269 T CA -1.401 60.648 62.100 -0.085 0.000 1.049 269 T CB 0.678 69.581 68.868 0.059 0.000 0.947 269 T HN 0.369 8.454 8.240 -0.259 0.000 0.472 270 Y N 7.129 127.554 120.300 0.209 0.000 2.503 270 Y HA 0.168 nan 4.550 nan 0.000 0.236 270 Y C -0.131 175.841 175.900 0.119 0.000 1.047 270 Y CA 1.275 59.485 58.100 0.183 0.000 1.267 270 Y CB 1.448 40.048 38.460 0.234 0.000 1.093 270 Y HN -0.137 8.296 8.280 0.255 0.000 0.490 271 L N -2.261 119.111 121.223 0.249 0.000 2.294 271 L HA 0.323 nan 4.340 nan 0.000 0.283 271 L C -1.465 175.528 176.870 0.204 0.000 1.015 271 L CA -1.222 53.678 54.840 0.101 0.000 0.831 271 L CB 0.639 42.635 42.059 -0.105 0.000 1.217 271 L HN -0.119 8.325 8.230 0.357 0.000 0.420 272 L N 4.665 126.023 121.223 0.225 0.000 2.313 272 L HA 0.040 nan 4.340 nan 0.000 0.282 272 L C -0.391 176.613 176.870 0.224 0.000 1.092 272 L CA -0.231 54.779 54.840 0.283 0.000 0.831 272 L CB 0.991 43.224 42.059 0.290 0.000 1.159 272 L HN 0.342 8.678 8.230 0.177 0.000 0.442 273 E N 7.968 128.307 120.200 0.232 0.000 1.852 273 E HA -0.024 nan 4.350 nan 0.000 0.276 273 E C -0.426 176.323 176.600 0.249 0.000 1.163 273 E CA -0.593 55.902 56.400 0.158 0.000 1.117 273 E CB -0.959 28.787 29.700 0.077 0.000 1.124 273 E HN 0.514 8.916 8.360 0.268 0.119 0.458 274 K N 2.470 123.027 120.400 0.261 0.000 2.155 274 K HA -0.203 nan 4.320 nan 0.000 0.203 274 K C 1.871 178.588 176.600 0.195 0.000 1.052 274 K CA 2.706 59.186 56.287 0.323 0.000 0.948 274 K CB -0.246 32.393 32.500 0.231 0.000 0.728 274 K HN 0.210 8.524 8.250 0.199 0.056 0.448 275 S N 1.907 117.666 115.700 0.099 0.000 2.389 275 S HA -0.404 nan 4.470 nan 0.000 0.231 275 S C 2.112 176.709 174.600 -0.004 0.000 1.052 275 S CA 3.251 61.476 58.200 0.040 0.000 1.053 275 S CB -0.480 62.739 63.200 0.031 0.000 0.886 275 S HN 0.188 8.530 8.310 0.099 0.028 0.456 276 R N -0.709 119.769 120.500 -0.037 0.000 2.152 276 R HA -0.240 nan 4.340 nan 0.000 0.232 276 R C 2.048 178.303 176.300 -0.075 0.000 1.117 276 R CA 2.281 58.322 56.100 -0.098 0.000 0.981 276 R CB -0.593 29.587 30.300 -0.201 0.000 0.870 276 R HN -0.314 8.203 8.270 -0.035 -0.268 0.451 277 A N 0.026 122.864 122.820 0.030 0.000 2.084 277 A HA -0.238 nan 4.320 nan 0.000 0.221 277 A C 0.947 178.504 177.584 -0.045 0.000 1.161 277 A CA 2.600 54.724 52.037 0.145 0.000 0.653 277 A CB -0.733 18.468 19.000 0.336 0.000 0.802 277 A HN 0.170 8.218 8.150 0.094 0.159 0.457 278 I N -8.502 111.907 120.570 -0.268 0.000 2.499 278 I HA 0.024 nan 4.170 nan 0.000 0.243 278 I C 0.041 175.896 176.117 -0.437 0.000 1.085 278 I CA 0.815 61.649 61.300 -0.777 0.000 1.422 278 I CB 0.879 38.338 38.000 -0.900 0.000 1.165 278 I HN -0.802 7.252 8.210 -0.180 0.048 0.440 279 R N -1.421 118.951 120.500 -0.213 0.000 2.569 279 R HA 0.150 nan 4.340 nan 0.000 0.293 279 R C -1.632 174.636 176.300 -0.053 0.000 1.186 279 R CA -0.929 55.126 56.100 -0.076 0.000 0.956 279 R CB 1.991 32.265 30.300 -0.044 0.000 1.196 279 R HN -0.518 7.563 8.270 -0.186 0.077 0.444 280 Q N 3.588 123.370 119.800 -0.030 0.000 2.235 280 Q HA 0.177 nan 4.340 nan 0.000 0.250 280 Q C 0.240 176.219 176.000 -0.036 0.000 0.909 280 Q CA -0.968 54.804 55.803 -0.051 0.000 0.910 280 Q CB 0.817 29.533 28.738 -0.036 0.000 1.223 280 Q HN 0.131 8.402 8.270 0.002 0.000 0.432 281 A N 4.006 126.788 122.820 -0.063 0.000 2.281 281 A HA -0.105 nan 4.320 nan 0.000 0.271 281 A C -0.967 176.597 177.584 -0.032 0.000 1.196 281 A CA -0.217 51.793 52.037 -0.045 0.000 0.807 281 A CB 0.358 19.317 19.000 -0.069 0.000 1.138 281 A HN 0.296 8.386 8.150 -0.100 0.000 0.506 282 K N -0.238 120.150 120.400 -0.020 0.000 2.412 282 K HA -0.253 nan 4.320 nan 0.000 0.284 282 K C -0.866 175.720 176.600 -0.023 0.000 1.046 282 K CA 0.862 57.142 56.287 -0.012 0.000 0.999 282 K CB -0.604 31.895 32.500 -0.003 0.000 0.941 282 K HN -0.220 8.019 8.250 -0.017 0.000 0.474 283 D N 3.764 124.149 120.400 -0.024 0.000 2.737 283 D HA -0.506 nan 4.640 nan 0.000 0.243 283 D C -1.853 174.415 176.300 -0.052 0.000 1.109 283 D CA 1.776 55.754 54.000 -0.037 0.000 0.702 283 D CB -0.992 39.789 40.800 -0.031 0.000 1.068 283 D HN 0.450 9.188 8.370 -0.015 -0.377 0.432 284 E N -4.161 116.005 120.200 -0.057 0.000 2.340 284 E HA 0.262 nan 4.350 nan 0.000 0.273 284 E C -1.767 174.798 176.600 -0.058 0.000 0.891 284 E CA -1.589 54.763 56.400 -0.080 0.000 0.757 284 E CB 4.385 34.014 29.700 -0.119 0.000 1.231 284 E HN -0.468 7.869 8.360 -0.039 0.000 0.439 285 R N 0.081 120.535 120.500 -0.076 0.000 2.740 285 R HA 0.457 nan 4.340 nan 0.000 0.282 285 R C 0.613 176.909 176.300 -0.007 0.000 0.969 285 R CA -1.358 54.737 56.100 -0.008 0.000 0.918 285 R CB 3.422 33.594 30.300 -0.213 0.000 1.175 285 R HN -0.313 7.767 8.270 -0.098 0.130 0.464 286 T N 1.794 116.442 114.554 0.157 0.000 2.680 286 T HA 0.021 nan 4.350 nan 0.000 0.314 286 T C -0.092 174.601 174.700 -0.010 0.000 1.045 286 T CA -0.725 61.363 62.100 -0.019 0.000 1.025 286 T CB 0.291 69.318 68.868 0.266 0.000 1.000 286 T HN -0.239 8.204 8.240 0.338 0.000 0.535 287 F N -1.709 118.156 119.950 -0.142 0.000 2.548 287 F HA -0.353 nan 4.527 nan 0.000 0.403 287 F C 1.895 177.520 175.800 -0.292 0.000 1.004 287 F CA 1.633 59.394 58.000 -0.398 0.000 1.177 287 F CB -0.689 37.714 39.000 -0.994 0.000 0.974 287 F HN -0.070 7.465 8.300 -1.275 0.000 0.541 288 H N 4.785 123.758 119.070 -0.162 0.000 2.292 288 H HA -0.524 nan 4.556 nan 0.000 0.292 288 H C 2.333 177.290 175.328 -0.619 0.000 1.100 288 H CA 3.173 59.017 56.048 -0.339 0.000 1.238 288 H CB 0.024 29.443 29.762 -0.572 0.000 1.355 288 H HN 0.769 9.167 8.280 0.197 0.000 0.484 289 I N -1.318 118.935 120.570 -0.529 0.000 2.248 289 I HA -0.526 nan 4.170 nan 0.000 0.248 289 I C 1.060 177.217 176.117 0.067 0.000 1.107 289 I CA 2.128 63.218 61.300 -0.350 0.000 1.373 289 I CB -0.447 37.427 38.000 -0.211 0.000 1.055 289 I HN -0.753 7.200 8.210 -0.428 0.000 0.418 290 F N -1.787 118.162 119.950 -0.002 0.000 2.043 290 F HA -0.481 nan 4.527 nan 0.000 0.297 290 F C 1.981 177.720 175.800 -0.102 0.000 1.121 290 F CA 3.514 61.434 58.000 -0.134 0.000 1.199 290 F CB -1.955 36.833 39.000 -0.352 0.000 0.968 290 F HN -0.680 7.440 8.300 -0.260 0.024 0.478 291 Y N -3.242 117.247 120.300 0.315 0.000 2.293 291 Y HA -0.436 nan 4.550 nan 0.000 0.291 291 Y C 2.452 178.640 175.900 0.479 0.000 1.137 291 Y CA 3.597 61.970 58.100 0.455 0.000 1.202 291 Y CB -0.654 38.081 38.460 0.458 0.000 0.990 291 Y HN -0.614 7.937 8.280 0.451 0.000 0.537 292 Y N -1.952 118.572 120.300 0.373 0.000 2.114 292 Y HA -0.375 nan 4.550 nan 0.000 0.284 292 Y C 2.132 177.978 175.900 -0.089 0.000 1.143 292 Y CA 0.871 59.141 58.100 0.283 0.000 1.135 292 Y CB -0.964 37.776 38.460 0.467 0.000 0.980 292 Y HN -0.286 8.244 8.280 0.545 0.078 0.499 293 L N -1.254 120.005 121.223 0.061 0.000 2.083 293 L HA -0.327 nan 4.340 nan 0.000 0.209 293 L C 1.302 177.900 176.870 -0.453 0.000 1.083 293 L CA 3.081 57.706 54.840 -0.358 0.000 0.752 293 L CB -0.382 41.687 42.059 0.018 0.000 0.899 293 L HN -0.079 8.323 8.230 0.286 0.000 0.433 294 I N -4.330 116.027 120.570 -0.354 0.000 2.315 294 I HA -0.357 nan 4.170 nan 0.000 0.248 294 I C 1.429 177.284 176.117 -0.436 0.000 1.117 294 I CA 2.744 63.742 61.300 -0.503 0.000 1.404 294 I CB -0.086 37.375 38.000 -0.899 0.000 1.071 294 I HN -0.662 7.404 8.210 -0.241 0.000 0.419 295 A N -0.110 122.572 122.820 -0.230 0.000 1.844 295 A HA 0.025 nan 4.320 nan 0.000 0.212 295 A C 1.208 178.721 177.584 -0.118 0.000 1.221 295 A CA 1.951 53.977 52.037 -0.018 0.000 0.607 295 A CB 0.116 19.257 19.000 0.235 0.000 0.878 295 A HN -0.715 7.258 8.150 -0.122 0.104 0.451 296 G N -2.007 106.650 108.800 -0.238 0.000 3.332 296 G HA2 -0.051 nan 3.960 nan 0.000 0.242 296 G HA3 -0.051 nan 3.960 nan 0.000 0.242 296 G C -1.489 173.224 174.900 -0.311 0.000 1.276 296 G CA -0.662 44.346 45.100 -0.153 0.000 0.988 296 G HN -0.141 7.974 8.290 -0.292 0.000 0.517 297 A N 0.396 122.995 122.820 -0.369 0.000 2.488 297 A HA -0.030 nan 4.320 nan 0.000 0.249 297 A C -0.451 177.099 177.584 -0.057 0.000 1.083 297 A CA 0.455 52.355 52.037 -0.230 0.000 0.768 297 A CB 0.220 19.094 19.000 -0.211 0.000 1.017 297 A HN -0.560 7.265 8.150 -0.350 0.115 0.496 298 S N 3.737 119.448 115.700 0.019 0.000 2.562 298 S HA 0.047 nan 4.470 nan 0.000 0.275 298 S C 1.220 175.828 174.600 0.014 0.000 1.281 298 S CA -1.135 57.087 58.200 0.037 0.000 1.045 298 S CB 1.619 64.863 63.200 0.073 0.000 0.962 298 S HN 0.088 8.434 8.310 0.060 0.000 0.503 299 E N 3.409 123.615 120.200 0.010 0.000 2.171 299 E HA -0.447 nan 4.350 nan 0.000 0.197 299 E C 1.921 178.524 176.600 0.006 0.000 0.997 299 E CA 3.536 59.938 56.400 0.002 0.000 0.810 299 E CB -0.272 29.431 29.700 0.004 0.000 0.738 299 E HN 0.732 9.101 8.360 0.015 0.000 0.467 300 Q N -1.622 118.187 119.800 0.015 0.000 1.916 300 Q HA -0.209 nan 4.340 nan 0.000 0.203 300 Q C 2.105 178.116 176.000 0.017 0.000 0.983 300 Q CA 2.897 58.710 55.803 0.017 0.000 0.846 300 Q CB -0.457 28.295 28.738 0.023 0.000 0.909 300 Q HN 0.183 8.443 8.270 0.021 0.023 0.427 301 M N -3.645 115.970 119.600 0.026 0.000 2.686 301 M HA -0.070 nan 4.480 nan 0.000 0.246 301 M C 2.299 178.600 176.300 0.002 0.000 1.096 301 M CA 2.392 57.706 55.300 0.024 0.000 1.076 301 M CB -0.501 32.129 32.600 0.050 0.000 1.504 301 M HN -0.387 7.924 8.290 0.036 0.000 0.524 302 R N 1.299 121.792 120.500 -0.012 0.000 2.092 302 R HA -0.343 nan 4.340 nan 0.000 0.231 302 R C 1.194 177.481 176.300 -0.022 0.000 1.119 302 R CA 4.030 60.108 56.100 -0.036 0.000 0.970 302 R CB -0.048 30.228 30.300 -0.041 0.000 0.864 302 R HN 0.706 8.924 8.270 -0.003 0.050 0.440 303 N N -4.005 114.691 118.700 -0.008 0.000 2.392 303 N HA -0.086 nan 4.740 nan 0.000 0.177 303 N C 1.128 176.649 175.510 0.018 0.000 1.066 303 N CA 1.711 54.761 53.050 0.000 0.000 0.895 303 N CB 0.245 38.730 38.487 -0.003 0.000 0.988 303 N HN -0.157 8.221 8.380 -0.004 0.000 0.457 304 D N -0.023 120.389 120.400 0.021 0.000 2.085 304 D HA -0.070 nan 4.640 nan 0.000 0.199 304 D C 0.865 177.170 176.300 0.007 0.000 0.981 304 D CA 2.836 56.858 54.000 0.037 0.000 0.834 304 D CB 0.516 41.331 40.800 0.024 0.000 0.992 304 D HN -0.218 8.161 8.370 0.014 0.000 0.457 305 L N -3.077 118.135 121.223 -0.018 0.000 2.645 305 L HA -0.030 nan 4.340 nan 0.000 0.235 305 L C -0.412 176.438 176.870 -0.032 0.000 1.150 305 L CA -0.129 54.684 54.840 -0.045 0.000 0.911 305 L CB 0.247 42.291 42.059 -0.026 0.000 1.077 305 L HN -0.502 7.598 8.230 -0.007 0.126 0.438 306 L N -3.781 117.436 121.223 -0.008 0.000 3.472 306 L HA -0.327 nan 4.340 nan 0.000 0.596 306 L C -0.941 175.938 176.870 0.015 0.000 1.310 306 L CA 0.167 55.012 54.840 0.009 0.000 0.966 306 L CB -2.312 39.761 42.059 0.022 0.000 1.626 306 L HN -0.480 7.689 8.230 -0.003 0.059 0.865 307 L N -0.234 120.987 121.223 -0.004 0.000 2.276 307 L HA 0.341 nan 4.340 nan 0.000 0.286 307 L C -0.485 176.382 176.870 -0.004 0.000 1.024 307 L CA -0.628 54.211 54.840 -0.003 0.000 0.826 307 L CB 0.619 42.632 42.059 -0.077 0.000 1.211 307 L HN 0.391 8.611 8.230 -0.015 0.000 0.422 308 E N 3.560 123.786 120.200 0.044 0.000 2.292 308 E HA 0.577 nan 4.350 nan 0.000 0.258 308 E C 0.792 177.387 176.600 -0.008 0.000 1.115 308 E CA -1.195 55.187 56.400 -0.029 0.000 0.929 308 E CB 2.235 31.849 29.700 -0.143 0.000 1.161 308 E HN -0.001 8.453 8.360 0.158 0.000 0.453 309 G N -1.334 107.435 108.800 -0.053 0.000 2.563 309 G HA2 0.183 nan 3.960 nan 0.000 0.283 309 G HA3 0.183 nan 3.960 nan 0.000 0.283 309 G C -1.624 173.274 174.900 -0.003 0.000 1.309 309 G CA -1.483 43.578 45.100 -0.064 0.000 1.022 309 G HN 0.074 8.559 8.290 -0.073 -0.239 0.501 310 F N -1.917 118.076 119.950 0.072 0.000 2.607 310 F HA -0.268 nan 4.527 nan 0.000 0.374 310 F C 0.676 176.525 175.800 0.081 0.000 1.104 310 F CA 1.825 59.882 58.000 0.095 0.000 1.296 310 F CB 0.091 39.095 39.000 0.006 0.000 1.085 310 F HN -0.114 8.213 8.300 0.046 0.000 0.584 311 N N -0.268 118.634 118.700 0.337 0.000 2.776 311 N HA -0.427 nan 4.740 nan 0.000 0.250 311 N C -0.697 174.804 175.510 -0.016 0.000 1.112 311 N CA 0.873 54.025 53.050 0.169 0.000 0.733 311 N CB -1.538 37.031 38.487 0.136 0.000 1.097 311 N HN 0.641 9.305 8.380 0.473 0.000 0.558 312 N N -2.866 115.709 118.700 -0.208 0.000 2.235 312 N HA -0.042 nan 4.740 nan 0.000 0.209 312 N C -1.718 173.246 175.510 -0.910 0.000 1.122 312 N CA 0.418 53.156 53.050 -0.520 0.000 0.845 312 N CB 0.885 39.060 38.487 -0.519 0.000 1.004 312 N HN -0.439 7.837 8.380 -0.111 0.038 0.499 313 Y N -3.508 116.742 120.300 -0.083 0.000 2.350 313 Y HA 0.181 nan 4.550 nan 0.000 0.338 313 Y C 0.267 176.128 175.900 -0.066 0.000 0.961 313 Y CA -0.775 57.254 58.100 -0.119 0.000 1.100 313 Y CB 2.084 40.457 38.460 -0.145 0.000 1.179 313 Y HN -0.714 7.353 8.280 -0.185 0.101 0.454 314 T N 3.429 117.955 114.554 -0.046 0.000 3.035 314 T HA 0.055 nan 4.350 nan 0.000 0.259 314 T C 0.481 175.305 174.700 0.207 0.000 1.078 314 T CA 1.656 63.760 62.100 0.006 0.000 1.132 314 T CB 0.062 68.853 68.868 -0.129 0.000 0.900 314 T HN 0.743 8.883 8.240 -0.168 0.000 0.480 315 F N -0.861 119.112 119.950 0.038 0.000 2.811 315 F HA -0.008 nan 4.527 nan 0.000 0.301 315 F C -0.309 175.492 175.800 0.001 0.000 1.151 315 F CA -1.548 56.462 58.000 0.016 0.000 1.412 315 F CB -0.073 38.920 39.000 -0.012 0.000 1.113 315 F HN -0.158 8.170 8.300 0.116 0.041 0.579 316 L N -0.430 120.915 121.223 0.203 0.000 2.277 316 L HA 0.156 nan 4.340 nan 0.000 0.284 316 L C -0.906 176.080 176.870 0.193 0.000 1.028 316 L CA -1.171 53.761 54.840 0.154 0.000 0.835 316 L CB -0.293 41.826 42.059 0.100 0.000 1.215 316 L HN -0.732 7.562 8.230 0.218 0.067 0.425 317 S N 3.467 119.275 115.700 0.179 0.000 2.738 317 S HA 0.192 nan 4.470 nan 0.000 0.284 317 S C 0.167 174.850 174.600 0.140 0.000 1.146 317 S CA -0.928 57.357 58.200 0.143 0.000 0.997 317 S CB 2.233 65.496 63.200 0.106 0.000 1.081 317 S HN 0.422 9.173 8.310 0.176 -0.335 0.553 318 N N -1.967 116.789 118.700 0.094 0.000 2.725 318 N HA -0.328 nan 4.740 nan 0.000 0.249 318 N C 0.749 176.308 175.510 0.083 0.000 1.103 318 N CA 1.024 54.112 53.050 0.065 0.000 0.707 318 N CB -1.162 37.344 38.487 0.032 0.000 1.043 318 N HN 0.416 8.846 8.380 0.084 0.000 0.553 319 G N -0.662 108.209 108.800 0.120 0.000 2.686 319 G HA2 -0.463 nan 3.960 nan 0.000 0.329 319 G HA3 -0.463 nan 3.960 nan 0.000 0.329 319 G C -1.583 173.479 174.900 0.271 0.000 1.187 319 G CA 0.876 46.074 45.100 0.164 0.000 0.965 319 G HN 0.236 8.580 8.290 0.113 0.013 0.549 320 H N 3.027 122.158 119.070 0.102 0.000 2.906 320 H HA 0.288 nan 4.556 nan 0.000 0.324 320 H C -0.996 174.308 175.328 -0.040 0.000 0.973 320 H CA -1.598 54.490 56.048 0.068 0.000 1.321 320 H CB 1.483 31.129 29.762 -0.193 0.000 1.535 320 H HN -0.105 8.270 8.280 0.158 0.000 0.518 321 V N 7.188 126.892 119.914 -0.350 0.000 2.461 321 V HA 0.303 nan 4.120 nan 0.000 0.275 321 V C -1.232 174.443 176.094 -0.698 0.000 1.047 321 V CA -3.216 58.841 62.300 -0.405 0.000 0.955 321 V CB 0.845 32.515 31.823 -0.255 0.000 0.988 321 V HN 0.550 8.625 8.190 -0.192 0.000 0.471 322 P HA 0.335 nan 4.420 nan 0.000 0.274 322 P C -1.685 175.444 177.300 -0.285 0.000 1.237 322 P CA -0.533 62.306 63.100 -0.434 0.000 0.793 322 P CB 0.859 32.411 31.700 -0.246 0.000 0.977 323 I N -0.055 120.389 120.570 -0.210 0.000 2.525 323 I HA 0.436 nan 4.170 nan 0.000 0.301 323 I C -1.358 174.707 176.117 -0.087 0.000 0.992 323 I CA -3.835 57.377 61.300 -0.148 0.000 1.162 323 I CB 2.136 40.042 38.000 -0.156 0.000 1.332 323 I HN 0.127 8.227 8.210 -0.183 0.000 0.458 324 P HA -0.024 nan 4.420 nan 0.000 0.271 324 P C -1.132 176.160 177.300 -0.014 0.000 1.216 324 P CA 0.333 63.411 63.100 -0.036 0.000 0.771 324 P CB -0.066 31.614 31.700 -0.034 0.000 0.864 325 A N 2.861 125.678 122.820 -0.006 0.000 2.829 325 A HA -0.393 nan 4.320 nan 0.000 0.267 325 A C -1.339 176.254 177.584 0.015 0.000 1.370 325 A CA 1.286 53.328 52.037 0.009 0.000 0.900 325 A CB -0.958 18.054 19.000 0.020 0.000 1.044 325 A HN 0.514 8.656 8.150 -0.012 0.000 0.691 326 Q N -2.453 117.350 119.800 0.005 0.000 2.315 326 Q HA 0.199 nan 4.340 nan 0.000 0.273 326 Q C -2.220 173.776 176.000 -0.006 0.000 1.053 326 Q CA -0.703 55.104 55.803 0.008 0.000 0.817 326 Q CB 2.876 31.629 28.738 0.025 0.000 1.326 326 Q HN -0.609 7.573 8.270 -0.007 0.084 0.423 327 Q N 6.338 126.132 119.800 -0.010 0.000 2.339 327 Q HA 0.217 nan 4.340 nan 0.000 0.268 327 Q C -0.135 175.854 176.000 -0.017 0.000 1.027 327 Q CA -1.133 54.670 55.803 0.001 0.000 0.759 327 Q CB 1.959 30.701 28.738 0.007 0.000 1.244 327 Q HN 0.580 8.840 8.270 -0.016 0.000 0.464 328 D N 8.352 128.774 120.400 0.037 0.000 2.190 328 D HA -0.406 nan 4.640 nan 0.000 0.200 328 D C 0.915 177.188 176.300 -0.044 0.000 0.992 328 D CA 4.092 58.117 54.000 0.041 0.000 0.854 328 D CB -0.363 40.669 40.800 0.388 0.000 0.936 328 D HN 0.644 9.060 8.370 0.076 0.000 0.462 329 D N -1.629 118.808 120.400 0.061 0.000 2.177 329 D HA -0.315 nan 4.640 nan 0.000 0.189 329 D C 2.304 178.630 176.300 0.043 0.000 1.002 329 D CA 3.143 57.187 54.000 0.072 0.000 0.845 329 D CB -0.785 40.054 40.800 0.064 0.000 0.960 329 D HN 0.431 8.824 8.370 0.089 0.030 0.447 330 E N -1.406 118.789 120.200 -0.009 0.000 2.230 330 E HA -0.151 nan 4.350 nan 0.000 0.192 330 E C 2.350 178.901 176.600 -0.082 0.000 0.987 330 E CA 2.100 58.494 56.400 -0.011 0.000 0.841 330 E CB -0.222 29.472 29.700 -0.010 0.000 0.783 330 E HN -0.676 7.673 8.360 -0.019 0.000 0.481 331 M N -0.419 119.042 119.600 -0.231 0.000 2.202 331 M HA -0.298 nan 4.480 nan 0.000 0.262 331 M C 2.123 178.102 176.300 -0.535 0.000 1.063 331 M CA 1.962 56.998 55.300 -0.440 0.000 1.097 331 M CB -1.306 30.847 32.600 -0.745 0.000 1.382 331 M HN -0.640 7.520 8.290 -0.216 0.000 0.413 332 F N 0.737 120.339 119.950 -0.580 0.000 2.043 332 F HA -0.531 nan 4.527 nan 0.000 0.297 332 F C 1.329 177.104 175.800 -0.040 0.000 1.121 332 F CA 4.635 62.551 58.000 -0.140 0.000 1.199 332 F CB -0.358 38.654 39.000 0.019 0.000 0.968 332 F HN -0.145 7.950 8.300 -0.328 0.008 0.478 333 Q N -1.521 118.287 119.800 0.014 0.000 2.061 333 Q HA -0.450 nan 4.340 nan 0.000 0.204 333 Q C 2.241 178.168 176.000 -0.121 0.000 0.984 333 Q CA 2.976 58.746 55.803 -0.056 0.000 0.846 333 Q CB -0.521 28.249 28.738 0.054 0.000 0.902 333 Q HN -0.221 8.073 8.270 0.161 0.073 0.421 334 E N -1.056 119.087 120.200 -0.094 0.000 2.035 334 E HA -0.504 nan 4.350 nan 0.000 0.204 334 E C 2.391 178.933 176.600 -0.097 0.000 1.025 334 E CA 3.251 59.604 56.400 -0.078 0.000 0.835 334 E CB -0.142 29.519 29.700 -0.066 0.000 0.764 334 E HN 0.125 8.439 8.360 -0.077 0.000 0.457 335 T N -0.945 113.537 114.554 -0.119 0.000 2.803 335 T HA -0.258 nan 4.350 nan 0.000 0.269 335 T C 2.300 176.916 174.700 -0.139 0.000 1.052 335 T CA 3.680 65.715 62.100 -0.108 0.000 1.136 335 T CB -0.681 68.142 68.868 -0.075 0.000 0.864 335 T HN -0.357 7.807 8.240 -0.126 0.000 0.467 336 L N 0.175 121.260 121.223 -0.231 0.000 2.083 336 L HA -0.303 nan 4.340 nan 0.000 0.209 336 L C 2.073 178.894 176.870 -0.081 0.000 1.083 336 L CA 3.331 58.055 54.840 -0.194 0.000 0.752 336 L CB -1.303 40.569 42.059 -0.312 0.000 0.899 336 L HN -0.265 7.755 8.230 -0.326 0.014 0.433 337 E N -1.076 119.083 120.200 -0.068 0.000 2.031 337 E HA -0.395 nan 4.350 nan 0.000 0.193 337 E C 2.220 178.818 176.600 -0.003 0.000 0.994 337 E CA 2.961 59.348 56.400 -0.021 0.000 0.800 337 E CB -0.351 29.339 29.700 -0.017 0.000 0.752 337 E HN -0.392 7.815 8.360 -0.095 0.097 0.447 338 A N -1.047 121.761 122.820 -0.020 0.000 1.986 338 A HA -0.319 nan 4.320 nan 0.000 0.220 338 A C 2.231 179.828 177.584 0.021 0.000 1.171 338 A CA 2.960 54.993 52.037 -0.006 0.000 0.640 338 A CB -0.897 18.086 19.000 -0.028 0.000 0.811 338 A HN -0.189 7.936 8.150 -0.041 0.000 0.451 339 M N -3.096 116.503 119.600 -0.002 0.000 2.065 339 M HA -0.462 nan 4.480 nan 0.000 0.259 339 M C 2.404 178.830 176.300 0.210 0.000 1.069 339 M CA 4.369 59.703 55.300 0.056 0.000 1.110 339 M CB -0.317 32.290 32.600 0.012 0.000 1.328 339 M HN 0.014 8.270 8.290 -0.034 0.014 0.405 340 T N -1.935 112.695 114.554 0.128 0.000 2.881 340 T HA -0.225 nan 4.350 nan 0.000 0.270 340 T C 1.426 176.188 174.700 0.104 0.000 1.068 340 T CA 3.030 65.200 62.100 0.117 0.000 1.131 340 T CB -0.705 68.206 68.868 0.072 0.000 0.871 340 T HN -0.003 8.185 8.240 0.075 0.097 0.479 341 I N 0.298 120.923 120.570 0.091 0.000 2.353 341 I HA -0.141 nan 4.170 nan 0.000 0.248 341 I C 1.242 177.416 176.117 0.094 0.000 1.119 341 I CA 1.358 62.702 61.300 0.073 0.000 1.417 341 I CB -0.689 37.339 38.000 0.047 0.000 1.078 341 I HN -0.396 7.740 8.210 0.081 0.123 0.421 342 M N -4.283 115.410 119.600 0.156 0.000 2.394 342 M HA -0.085 nan 4.480 nan 0.000 0.264 342 M C 1.140 177.534 176.300 0.157 0.000 1.073 342 M CA 0.709 56.128 55.300 0.199 0.000 1.111 342 M CB 1.107 33.928 32.600 0.368 0.000 1.401 342 M HN -0.326 8.066 8.290 0.170 0.000 0.448 343 G N -2.568 106.340 108.800 0.179 0.000 2.215 343 G HA2 -0.308 nan 3.960 nan 0.000 0.198 343 G HA3 -0.308 nan 3.960 nan 0.000 0.198 343 G C -0.850 174.064 174.900 0.023 0.000 1.047 343 G CA -0.251 44.892 45.100 0.072 0.000 0.747 343 G HN 0.050 8.357 8.290 0.235 0.125 0.495 344 F N 1.064 121.049 119.950 0.060 0.000 2.472 344 F HA 0.073 nan 4.527 nan 0.000 0.364 344 F C 0.732 176.583 175.800 0.083 0.000 1.090 344 F CA -0.134 57.921 58.000 0.092 0.000 1.188 344 F CB 0.008 39.082 39.000 0.122 0.000 1.105 344 F HN 0.143 8.639 8.300 0.520 0.116 0.536 345 T N 7.850 122.503 114.554 0.165 0.000 2.946 345 T HA -0.062 nan 4.350 nan 0.000 0.311 345 T C 1.069 175.845 174.700 0.126 0.000 1.063 345 T CA 1.189 63.358 62.100 0.116 0.000 1.139 345 T CB 0.337 69.257 68.868 0.086 0.000 0.994 345 T HN 0.387 9.018 8.240 0.104 -0.329 0.547 346 E N 5.158 125.409 120.200 0.086 0.000 2.277 346 E HA -0.442 nan 4.350 nan 0.000 0.216 346 E C 0.660 177.295 176.600 0.058 0.000 1.068 346 E CA 3.069 59.509 56.400 0.066 0.000 0.866 346 E CB -0.594 29.134 29.700 0.048 0.000 0.749 346 E HN 0.707 9.111 8.360 0.074 0.000 0.465 347 E N -1.897 118.337 120.200 0.058 0.000 2.162 347 E HA 0.013 nan 4.350 nan 0.000 0.193 347 E C 1.808 178.424 176.600 0.026 0.000 0.953 347 E CA 0.877 57.297 56.400 0.033 0.000 0.849 347 E CB -0.909 28.803 29.700 0.019 0.000 0.810 347 E HN -0.097 8.296 8.360 0.065 0.006 0.470 348 E N 0.924 121.183 120.200 0.098 0.000 2.114 348 E HA -0.475 nan 4.350 nan 0.000 0.199 348 E C 2.007 178.682 176.600 0.125 0.000 1.008 348 E CA 3.213 59.719 56.400 0.177 0.000 0.810 348 E CB -0.482 29.435 29.700 0.362 0.000 0.739 348 E HN 0.074 8.507 8.360 0.122 0.000 0.456 349 Q N -2.607 117.289 119.800 0.160 0.000 2.077 349 Q HA -0.415 nan 4.340 nan 0.000 0.206 349 Q C 2.747 178.765 176.000 0.030 0.000 0.989 349 Q CA 3.337 59.212 55.803 0.121 0.000 0.853 349 Q CB -0.078 28.726 28.738 0.111 0.000 0.907 349 Q HN -0.111 8.267 8.270 0.180 0.000 0.418 350 T N -4.848 109.697 114.554 -0.014 0.000 2.995 350 T HA -0.111 nan 4.350 nan 0.000 0.269 350 T C 2.183 176.773 174.700 -0.184 0.000 1.091 350 T CA 3.754 65.827 62.100 -0.044 0.000 1.128 350 T CB -0.738 68.113 68.868 -0.028 0.000 0.891 350 T HN -0.032 8.094 8.240 -0.005 0.111 0.492 351 S N 3.521 119.002 115.700 -0.366 0.000 2.371 351 S HA -0.206 nan 4.470 nan 0.000 0.224 351 S C 1.619 175.692 174.600 -0.878 0.000 1.029 351 S CA 4.127 61.856 58.200 -0.784 0.000 0.978 351 S CB -0.298 62.105 63.200 -1.328 0.000 0.833 351 S HN -0.844 7.138 8.310 -0.282 0.158 0.466 352 I N 1.911 122.109 120.570 -0.620 0.000 2.179 352 I HA -0.531 nan 4.170 nan 0.000 0.242 352 I C 1.293 177.314 176.117 -0.160 0.000 1.088 352 I CA 4.175 65.272 61.300 -0.338 0.000 1.357 352 I CB -0.355 37.443 38.000 -0.338 0.000 1.051 352 I HN 0.020 7.949 8.210 -0.469 0.000 0.409 353 L N -2.478 118.737 121.223 -0.014 0.000 2.079 353 L HA -0.435 nan 4.340 nan 0.000 0.210 353 L C 2.368 179.274 176.870 0.060 0.000 1.081 353 L CA 3.030 57.959 54.840 0.149 0.000 0.752 353 L CB -0.797 41.390 42.059 0.212 0.000 0.896 353 L HN -0.424 7.782 8.230 -0.040 0.000 0.433 354 R N -0.530 119.923 120.500 -0.078 0.000 2.066 354 R HA -0.280 nan 4.340 nan 0.000 0.232 354 R C 1.878 178.144 176.300 -0.057 0.000 1.131 354 R CA 3.322 59.361 56.100 -0.101 0.000 0.955 354 R CB -0.813 29.370 30.300 -0.195 0.000 0.851 354 R HN -0.181 7.917 8.270 -0.152 0.081 0.432 355 V N -0.295 119.569 119.914 -0.083 0.000 2.282 355 V HA -0.425 nan 4.120 nan 0.000 0.249 355 V C 2.571 178.756 176.094 0.152 0.000 1.057 355 V CA 4.041 66.345 62.300 0.007 0.000 1.032 355 V CB -1.329 30.481 31.823 -0.022 0.000 0.645 355 V HN -0.365 7.715 8.190 -0.185 0.000 0.447 356 V N -0.614 119.438 119.914 0.229 0.000 2.220 356 V HA -0.567 nan 4.120 nan 0.000 0.250 356 V C 1.903 178.189 176.094 0.320 0.000 1.056 356 V CA 4.725 67.323 62.300 0.497 0.000 1.016 356 V CB -1.213 30.924 31.823 0.523 0.000 0.639 356 V HN -0.286 7.984 8.190 0.135 0.000 0.446 357 S N -1.128 114.659 115.700 0.145 0.000 2.382 357 S HA -0.372 nan 4.470 nan 0.000 0.228 357 S C 2.501 177.096 174.600 -0.009 0.000 1.027 357 S CA 3.789 61.989 58.200 0.000 0.000 0.991 357 S CB -0.480 62.704 63.200 -0.027 0.000 0.823 357 S HN -0.172 8.134 8.310 0.133 0.083 0.469 358 S N 2.806 118.519 115.700 0.022 0.000 2.383 358 S HA -0.303 nan 4.470 nan 0.000 0.229 358 S C 1.979 176.628 174.600 0.082 0.000 1.030 358 S CA 3.071 61.291 58.200 0.033 0.000 1.002 358 S CB -0.838 62.376 63.200 0.023 0.000 0.829 358 S HN 0.197 8.515 8.310 0.013 0.000 0.467 359 V N 3.151 123.147 119.914 0.137 0.000 2.261 359 V HA -0.380 nan 4.120 nan 0.000 0.246 359 V C 1.698 177.782 176.094 -0.017 0.000 1.047 359 V CA 3.998 66.395 62.300 0.162 0.000 1.015 359 V CB -0.813 31.218 31.823 0.346 0.000 0.642 359 V HN -0.503 7.715 8.190 0.179 0.079 0.446 360 L N -3.490 117.570 121.223 -0.273 0.000 2.064 360 L HA -0.483 nan 4.340 nan 0.000 0.216 360 L C 2.644 179.508 176.870 -0.010 0.000 1.077 360 L CA 2.595 57.178 54.840 -0.428 0.000 0.766 360 L CB -0.378 41.263 42.059 -0.697 0.000 0.890 360 L HN -0.066 8.017 8.230 -0.245 0.000 0.435 361 Q N -1.171 118.657 119.800 0.045 0.000 2.049 361 Q HA -0.217 nan 4.340 nan 0.000 0.198 361 Q C 2.273 178.282 176.000 0.014 0.000 0.971 361 Q CA 2.371 58.229 55.803 0.092 0.000 0.833 361 Q CB -0.183 28.586 28.738 0.051 0.000 0.896 361 Q HN -0.180 7.867 8.270 -0.002 0.221 0.434 362 L N -2.168 119.089 121.223 0.056 0.000 2.230 362 L HA -0.376 nan 4.340 nan 0.000 0.217 362 L C 1.867 178.648 176.870 -0.148 0.000 1.090 362 L CA 3.321 58.200 54.840 0.063 0.000 0.771 362 L CB -0.302 41.895 42.059 0.230 0.000 0.892 362 L HN -0.162 8.128 8.230 0.100 0.000 0.438 363 G N -4.913 103.557 108.800 -0.550 0.000 3.155 363 G HA2 -0.173 nan 3.960 nan 0.000 0.213 363 G HA3 -0.173 nan 3.960 nan 0.000 0.213 363 G C 0.034 174.579 174.900 -0.593 0.000 1.196 363 G CA 0.384 44.755 45.100 -1.216 0.000 0.846 363 G HN 0.107 8.109 8.290 -0.396 0.051 0.516 364 N N 1.165 119.664 118.700 -0.335 0.000 2.373 364 N HA -0.016 nan 4.740 nan 0.000 0.181 364 N C 0.163 175.544 175.510 -0.215 0.000 1.082 364 N CA 0.433 53.334 53.050 -0.249 0.000 0.885 364 N CB 0.746 39.109 38.487 -0.206 0.000 0.977 364 N HN -0.474 7.676 8.380 -0.271 0.068 0.462 365 I N 2.683 123.135 120.570 -0.198 0.000 2.472 365 I HA -0.221 nan 4.170 nan 0.000 0.305 365 I C -1.170 174.771 176.117 -0.294 0.000 1.196 365 I CA 0.871 62.040 61.300 -0.219 0.000 1.613 365 I CB -1.818 36.145 38.000 -0.062 0.000 1.501 365 I HN -0.519 7.512 8.210 -0.201 0.058 0.754 366 V N 6.485 126.206 119.914 -0.322 0.000 2.406 366 V HA 0.058 nan 4.120 nan 0.000 0.272 366 V C -0.534 175.349 176.094 -0.353 0.000 1.043 366 V CA -0.755 61.410 62.300 -0.225 0.000 0.915 366 V CB 0.179 31.927 31.823 -0.126 0.000 0.988 366 V HN -0.242 7.739 8.190 -0.283 0.039 0.466 367 F N 7.863 127.826 119.950 0.021 0.000 2.371 367 F HA 0.175 nan 4.527 nan 0.000 0.363 367 F C -1.196 174.617 175.800 0.022 0.000 1.122 367 F CA -1.030 56.984 58.000 0.024 0.000 1.129 367 F CB 1.337 40.358 39.000 0.035 0.000 1.173 367 F HN -0.081 8.505 8.300 0.251 -0.136 0.489 368 K N 4.922 125.404 120.400 0.136 0.000 2.227 368 K HA 0.124 nan 4.320 nan 0.000 0.280 368 K C -0.418 176.245 176.600 0.105 0.000 1.041 368 K CA -0.914 55.427 56.287 0.091 0.000 0.905 368 K CB 1.509 34.032 32.500 0.038 0.000 1.068 368 K HN 0.306 8.606 8.250 0.082 0.000 0.470 369 K N 6.566 127.017 120.400 0.085 0.000 2.036 369 K HA -0.302 nan 4.320 nan 0.000 0.246 369 K C -0.701 175.930 176.600 0.051 0.000 1.148 369 K CA 0.341 56.667 56.287 0.066 0.000 1.200 369 K CB -0.497 32.032 32.500 0.049 0.000 0.964 369 K HN 0.586 8.885 8.250 0.081 0.000 0.364 370 E N 6.132 126.367 120.200 0.059 0.000 2.166 370 E HA -0.155 nan 4.350 nan 0.000 0.279 370 E C -0.870 175.751 176.600 0.034 0.000 1.095 370 E CA -0.161 56.266 56.400 0.044 0.000 0.888 370 E CB 0.978 30.710 29.700 0.052 0.000 1.041 370 E HN 0.055 8.426 8.360 0.080 0.037 0.414 371 R N 6.397 126.912 120.500 0.026 0.000 3.585 371 R HA 0.213 nan 4.340 nan 0.000 0.324 371 R C -0.341 175.969 176.300 0.016 0.000 1.372 371 R CA -1.557 54.555 56.100 0.020 0.000 1.291 371 R CB -1.813 28.498 30.300 0.019 0.000 1.470 371 R HN 0.374 8.659 8.270 0.025 0.000 0.633 372 N N -2.988 115.722 118.700 0.016 0.000 1.986 372 N HA 0.185 nan 4.740 nan 0.000 0.227 372 N C 0.213 175.730 175.510 0.013 0.000 1.387 372 N CA 0.279 53.337 53.050 0.013 0.000 0.810 372 N CB 1.866 40.360 38.487 0.012 0.000 1.140 372 N HN -0.330 8.163 8.380 0.020 -0.102 0.504 373 T N -4.087 110.476 114.554 0.015 0.000 3.056 373 T HA 0.242 nan 4.350 nan 0.000 0.243 373 T C 0.454 175.160 174.700 0.010 0.000 0.995 373 T CA 0.470 62.577 62.100 0.012 0.000 1.091 373 T CB 1.863 70.739 68.868 0.013 0.000 0.990 373 T HN -0.014 8.516 8.240 0.019 -0.278 0.464 374 D N -1.086 119.323 120.400 0.014 0.000 2.876 374 D HA -0.242 nan 4.640 nan 0.000 0.196 374 D C -1.086 175.220 176.300 0.009 0.000 1.014 374 D CA 2.175 56.182 54.000 0.013 0.000 1.012 374 D CB -0.668 40.136 40.800 0.007 0.000 1.080 374 D HN -0.041 8.340 8.370 0.019 0.000 0.438 375 Q N -0.537 119.269 119.800 0.010 0.000 2.923 375 Q HA 0.156 nan 4.340 nan 0.000 0.363 375 Q C -1.610 174.403 176.000 0.021 0.000 1.159 375 Q CA -1.368 54.436 55.803 0.003 0.000 1.073 375 Q CB -0.465 28.273 28.738 -0.000 0.000 1.364 375 Q HN -0.265 7.951 8.270 0.016 0.063 0.466 376 A N 0.525 123.368 122.820 0.038 0.000 2.302 376 A HA 0.126 nan 4.320 nan 0.000 0.285 376 A C -1.461 176.238 177.584 0.191 0.000 1.105 376 A CA -0.187 51.907 52.037 0.095 0.000 0.816 376 A CB 0.995 20.060 19.000 0.107 0.000 1.067 376 A HN -0.681 7.545 8.150 0.022 -0.063 0.489 377 S N -1.056 114.785 115.700 0.235 0.000 2.855 377 S HA 0.326 nan 4.470 nan 0.000 0.308 377 S C -1.791 172.944 174.600 0.224 0.000 1.077 377 S CA -1.167 57.238 58.200 0.341 0.000 0.896 377 S CB 2.532 65.847 63.200 0.192 0.000 1.339 377 S HN 0.082 8.491 8.310 0.164 0.000 0.602 378 M N 0.994 120.617 119.600 0.038 0.000 2.085 378 M HA 0.495 nan 4.480 nan 0.000 0.309 378 M C -1.998 174.205 176.300 -0.162 0.000 0.947 378 M CA -3.660 51.472 55.300 -0.279 0.000 0.918 378 M CB 1.046 33.387 32.600 -0.432 0.000 1.504 378 M HN -0.166 8.173 8.290 0.083 0.000 0.420 379 P HA -0.116 nan 4.420 nan 0.000 0.210 379 P C -0.967 176.277 177.300 -0.094 0.000 1.189 379 P CA 0.547 63.587 63.100 -0.099 0.000 0.920 379 P CB 0.154 31.799 31.700 -0.091 0.000 0.782 380 D N -3.352 116.979 120.400 -0.115 0.000 2.382 380 D HA -0.045 nan 4.640 nan 0.000 0.240 380 D C 0.155 176.400 176.300 -0.091 0.000 1.146 380 D CA 0.249 54.189 54.000 -0.100 0.000 0.897 380 D CB 1.390 42.123 40.800 -0.113 0.000 1.197 380 D HN 0.275 8.564 8.370 -0.135 0.000 0.432 381 N N 1.317 119.972 118.700 -0.075 0.000 2.407 381 N HA 0.070 nan 4.740 nan 0.000 0.182 381 N C 1.574 177.035 175.510 -0.080 0.000 1.079 381 N CA 1.085 54.094 53.050 -0.067 0.000 0.882 381 N CB 1.489 39.943 38.487 -0.055 0.000 1.106 381 N HN 0.274 8.609 8.380 -0.074 0.000 0.461 382 T N 1.237 115.741 114.554 -0.083 0.000 2.881 382 T HA -0.159 nan 4.350 nan 0.000 0.270 382 T C 1.522 176.167 174.700 -0.092 0.000 1.068 382 T CA 3.180 65.229 62.100 -0.085 0.000 1.131 382 T CB -0.868 67.951 68.868 -0.081 0.000 0.871 382 T HN -0.006 8.327 8.240 -0.081 -0.142 0.479 383 A N 1.895 124.655 122.820 -0.100 0.000 1.859 383 A HA -0.382 nan 4.320 nan 0.000 0.218 383 A C 1.245 178.786 177.584 -0.071 0.000 1.209 383 A CA 3.232 55.210 52.037 -0.098 0.000 0.639 383 A CB -0.775 18.156 19.000 -0.114 0.000 0.835 383 A HN -0.002 8.373 8.150 -0.102 -0.287 0.450 384 A N -3.966 118.815 122.820 -0.066 0.000 2.014 384 A HA -0.250 nan 4.320 nan 0.000 0.218 384 A C 2.008 179.425 177.584 -0.277 0.000 1.163 384 A CA 2.331 54.261 52.037 -0.178 0.000 0.652 384 A CB -0.683 18.243 19.000 -0.123 0.000 0.808 384 A HN 0.097 8.219 8.150 -0.047 0.000 0.449 385 Q N -0.919 118.782 119.800 -0.166 0.000 1.990 385 Q HA -0.305 nan 4.340 nan 0.000 0.200 385 Q C 2.161 178.103 176.000 -0.096 0.000 0.980 385 Q CA 3.746 59.468 55.803 -0.136 0.000 0.832 385 Q CB -0.070 28.613 28.738 -0.092 0.000 0.897 385 Q HN 0.388 8.367 8.270 -0.124 0.217 0.427 386 K N -1.452 118.908 120.400 -0.067 0.000 2.148 386 K HA -0.279 nan 4.320 nan 0.000 0.204 386 K C 2.674 179.243 176.600 -0.052 0.000 1.050 386 K CA 2.879 59.151 56.287 -0.024 0.000 0.942 386 K CB -0.245 32.245 32.500 -0.016 0.000 0.724 386 K HN -0.365 7.731 8.250 -0.078 0.108 0.446 387 V N 0.517 120.379 119.914 -0.086 0.000 2.220 387 V HA -0.392 nan 4.120 nan 0.000 0.250 387 V C 1.678 177.668 176.094 -0.173 0.000 1.056 387 V CA 4.571 66.802 62.300 -0.114 0.000 1.016 387 V CB -0.429 31.306 31.823 -0.147 0.000 0.639 387 V HN -0.365 7.775 8.190 -0.085 0.000 0.446 388 C N -2.550 116.588 119.300 -0.269 0.000 2.576 388 C HA 0.018 nan 4.460 nan 0.000 0.267 388 C C 2.337 177.266 174.990 -0.102 0.000 1.364 388 C CA 2.203 61.060 59.018 -0.267 0.000 1.723 388 C CB -2.535 24.939 27.740 -0.443 0.000 1.778 388 C HN 0.184 8.044 8.230 -0.302 0.189 0.572 389 H N 2.069 121.050 119.070 -0.148 0.000 2.525 389 H HA -0.024 nan 4.556 nan 0.000 0.275 389 H C 0.530 175.803 175.328 -0.092 0.000 0.984 389 H CA 2.348 58.332 56.048 -0.106 0.000 1.264 389 H CB -0.054 29.654 29.762 -0.091 0.000 1.432 389 H HN 0.393 8.674 8.280 0.001 0.000 0.549 390 L N -2.994 118.086 121.223 -0.239 0.000 2.477 390 L HA -0.048 nan 4.340 nan 0.000 0.220 390 L C 1.760 178.540 176.870 -0.149 0.000 1.106 390 L CA 0.903 55.597 54.840 -0.244 0.000 0.851 390 L CB 0.150 42.100 42.059 -0.182 0.000 0.994 390 L HN -0.753 7.291 8.230 -0.148 0.097 0.462 391 M N -1.845 117.686 119.600 -0.116 0.000 2.134 391 M HA -0.190 nan 4.480 nan 0.000 0.262 391 M C 1.049 177.301 176.300 -0.079 0.000 1.076 391 M CA 2.892 58.138 55.300 -0.089 0.000 1.143 391 M CB 1.032 33.566 32.600 -0.110 0.000 1.346 391 M HN 0.202 8.252 8.290 -0.124 0.165 0.421 392 G N -1.974 106.782 108.800 -0.074 0.000 2.338 392 G HA2 -0.372 nan 3.960 nan 0.000 0.296 392 G HA3 -0.372 nan 3.960 nan 0.000 0.296 392 G C -0.652 174.221 174.900 -0.046 0.000 1.040 392 G CA 0.434 45.508 45.100 -0.044 0.000 1.004 392 G HN -0.051 8.052 8.290 -0.081 0.138 0.509 393 I N -5.746 114.786 120.570 -0.064 0.000 5.599 393 I HA 0.275 nan 4.170 nan 0.000 0.171 393 I C -1.722 174.379 176.117 -0.027 0.000 1.386 393 I CA -1.687 59.583 61.300 -0.050 0.000 1.481 393 I CB 0.840 38.801 38.000 -0.064 0.000 1.613 393 I HN -0.956 7.202 8.210 -0.088 0.000 0.683 394 N N -0.582 118.117 118.700 -0.002 0.000 2.442 394 N HA 0.165 nan 4.740 nan 0.000 0.274 394 N C 0.799 176.329 175.510 0.034 0.000 1.002 394 N CA -0.803 52.251 53.050 0.006 0.000 0.910 394 N CB 1.631 40.121 38.487 0.005 0.000 1.244 394 N HN -0.254 8.132 8.380 0.011 0.000 0.492 395 V N 1.803 121.710 119.914 -0.011 0.000 2.250 395 V HA -0.440 nan 4.120 nan 0.000 0.250 395 V C 1.242 177.354 176.094 0.029 0.000 1.060 395 V CA 3.789 66.069 62.300 -0.034 0.000 1.030 395 V CB -0.951 30.835 31.823 -0.062 0.000 0.643 395 V HN 0.681 8.856 8.190 -0.026 0.000 0.445 396 T N -0.383 114.188 114.554 0.028 0.000 2.624 396 T HA -0.390 nan 4.350 nan 0.000 0.268 396 T C 1.335 176.079 174.700 0.073 0.000 1.041 396 T CA 4.538 66.662 62.100 0.041 0.000 1.159 396 T CB -0.670 68.211 68.868 0.022 0.000 0.863 396 T HN -0.312 8.159 8.240 0.011 -0.224 0.434 397 D N 1.229 121.673 120.400 0.074 0.000 2.348 397 D HA 0.049 nan 4.640 nan 0.000 0.211 397 D C 1.830 178.195 176.300 0.109 0.000 0.998 397 D CA 2.195 56.236 54.000 0.068 0.000 0.873 397 D CB -0.488 40.337 40.800 0.041 0.000 0.925 397 D HN -0.242 8.022 8.370 0.064 0.144 0.524 398 F N 1.470 121.402 119.950 -0.029 0.000 2.060 398 F HA -0.340 nan 4.527 nan 0.000 0.295 398 F C 0.939 176.736 175.800 -0.005 0.000 1.120 398 F CA 4.434 62.413 58.000 -0.035 0.000 1.205 398 F CB 0.244 39.219 39.000 -0.041 0.000 0.986 398 F HN 0.231 8.646 8.300 0.253 0.036 0.470 399 T N -0.837 113.897 114.554 0.300 0.000 2.770 399 T HA -0.285 nan 4.350 nan 0.000 0.263 399 T C 2.210 176.953 174.700 0.073 0.000 1.039 399 T CA 3.610 65.816 62.100 0.178 0.000 1.142 399 T CB -0.765 68.250 68.868 0.246 0.000 0.868 399 T HN -0.579 7.898 8.240 0.394 0.000 0.435 400 R N 0.682 121.226 120.500 0.073 0.000 2.159 400 R HA -0.360 nan 4.340 nan 0.000 0.237 400 R C 2.591 178.896 176.300 0.008 0.000 1.131 400 R CA 3.397 59.520 56.100 0.038 0.000 0.982 400 R CB -0.181 30.142 30.300 0.037 0.000 0.868 400 R HN -0.162 8.168 8.270 0.101 0.000 0.453 401 S N 0.070 115.761 115.700 -0.016 0.000 2.377 401 S HA -0.214 nan 4.470 nan 0.000 0.223 401 S C 1.282 175.832 174.600 -0.083 0.000 1.030 401 S CA 3.187 61.355 58.200 -0.053 0.000 0.970 401 S CB 0.136 63.291 63.200 -0.075 0.000 0.830 401 S HN -0.250 7.864 8.310 -0.002 0.194 0.473 402 I N 0.329 120.822 120.570 -0.128 0.000 3.001 402 I HA -0.218 nan 4.170 nan 0.000 0.268 402 I C -0.219 175.869 176.117 -0.048 0.000 1.267 402 I CA 1.106 62.323 61.300 -0.137 0.000 1.472 402 I CB -0.118 37.723 38.000 -0.264 0.000 1.089 402 I HN -0.103 7.832 8.210 -0.139 0.191 0.468 403 L N -5.413 115.805 121.223 -0.008 0.000 2.641 403 L HA 0.243 nan 4.340 nan 0.000 0.207 403 L C -0.854 176.012 176.870 -0.006 0.000 1.049 403 L CA 0.541 55.389 54.840 0.013 0.000 0.866 403 L CB 1.946 44.047 42.059 0.070 0.000 1.264 403 L HN -0.362 7.804 8.230 -0.009 0.059 0.483 404 T N -4.403 110.149 114.554 -0.002 0.000 2.963 404 T HA 0.555 nan 4.350 nan 0.000 0.343 404 T C -2.243 172.451 174.700 -0.011 0.000 1.146 404 T CA -3.469 58.629 62.100 -0.005 0.000 1.016 404 T CB 0.393 69.264 68.868 0.004 0.000 1.046 404 T HN -0.237 7.891 8.240 0.002 0.113 0.496 405 P HA 0.006 nan 4.420 nan 0.000 0.268 405 P C -0.639 176.657 177.300 -0.005 0.000 1.282 405 P CA -0.712 62.380 63.100 -0.015 0.000 0.880 405 P CB -0.250 31.441 31.700 -0.016 0.000 0.971 406 R N 5.490 125.988 120.500 -0.003 0.000 5.015 406 R HA -0.131 nan 4.340 nan 0.000 0.181 406 R C -0.447 175.855 176.300 0.004 0.000 2.160 406 R CA 0.515 56.616 56.100 0.002 0.000 1.752 406 R CB -1.683 28.619 30.300 0.003 0.000 1.324 406 R HN -0.196 8.034 8.270 -0.005 0.037 0.820 407 I N -3.180 117.392 120.570 0.004 0.000 4.875 407 I HA 0.105 nan 4.170 nan 0.000 0.158 407 I C -0.971 175.154 176.117 0.013 0.000 1.419 407 I CA -0.984 60.321 61.300 0.009 0.000 1.084 407 I CB 0.687 38.692 38.000 0.009 0.000 1.724 407 I HN 0.015 8.175 8.210 0.003 0.052 0.854 408 K N -0.845 119.564 120.400 0.016 0.000 2.616 408 K HA 0.060 nan 4.320 nan 0.000 0.255 408 K C -1.896 174.715 176.600 0.019 0.000 0.995 408 K CA -0.188 56.110 56.287 0.019 0.000 0.860 408 K CB 2.084 34.599 32.500 0.025 0.000 1.264 408 K HN -0.136 8.123 8.250 0.016 0.000 0.451 409 V N 6.643 126.565 119.914 0.015 0.000 2.531 409 V HA 0.376 nan 4.120 nan 0.000 0.301 409 V C 0.125 176.227 176.094 0.012 0.000 1.034 409 V CA -1.002 61.306 62.300 0.013 0.000 0.865 409 V CB 1.711 33.540 31.823 0.009 0.000 0.995 409 V HN 0.519 8.717 8.190 0.013 0.000 0.424 410 G N 8.753 117.561 108.800 0.013 0.000 2.609 410 G HA2 -0.241 nan 3.960 nan 0.000 0.288 410 G HA3 -0.241 nan 3.960 nan 0.000 0.288 410 G C -1.131 173.778 174.900 0.015 0.000 1.211 410 G CA 0.909 46.015 45.100 0.011 0.000 0.963 410 G HN 0.324 8.622 8.290 0.014 0.000 0.541 411 R N 2.141 122.649 120.500 0.013 0.000 2.522 411 R HA 0.310 nan 4.340 nan 0.000 0.373 411 R C -1.832 174.477 176.300 0.014 0.000 1.062 411 R CA -0.452 55.657 56.100 0.016 0.000 1.167 411 R CB 0.237 30.545 30.300 0.014 0.000 1.378 411 R HN 0.279 8.556 8.270 0.011 0.000 0.662 412 D N -2.370 118.039 120.400 0.014 0.000 2.825 412 D HA 0.066 nan 4.640 nan 0.000 0.327 412 D C -2.167 174.141 176.300 0.012 0.000 1.277 412 D CA -1.196 52.812 54.000 0.012 0.000 0.950 412 D CB 1.969 42.775 40.800 0.010 0.000 1.438 412 D HN -0.520 7.859 8.370 0.015 0.000 0.526 413 V N -1.181 118.739 119.914 0.010 0.000 2.406 413 V HA 0.205 nan 4.120 nan 0.000 0.272 413 V C -0.557 175.542 176.094 0.008 0.000 1.043 413 V CA -0.479 61.827 62.300 0.010 0.000 0.915 413 V CB -0.135 31.693 31.823 0.009 0.000 0.988 413 V HN 0.105 8.301 8.190 0.009 0.000 0.466 414 V N 8.522 128.441 119.914 0.008 0.000 2.487 414 V HA 0.315 nan 4.120 nan 0.000 0.298 414 V C -1.871 174.226 176.094 0.005 0.000 1.028 414 V CA -1.488 60.815 62.300 0.006 0.000 0.860 414 V CB 3.014 34.841 31.823 0.006 0.000 0.991 414 V HN 0.073 8.139 8.190 0.009 0.129 0.427 415 Q N 7.534 127.336 119.800 0.004 0.000 2.243 415 Q HA 0.318 nan 4.340 nan 0.000 0.252 415 Q C -1.363 174.637 176.000 0.001 0.000 0.909 415 Q CA -0.721 55.083 55.803 0.002 0.000 0.922 415 Q CB 1.052 29.792 28.738 0.003 0.000 1.215 415 Q HN 0.180 8.452 8.270 0.004 0.000 0.427 416 K N 3.348 123.747 120.400 -0.002 0.000 2.546 416 K HA 0.180 nan 4.320 nan 0.000 0.264 416 K C -2.261 174.335 176.600 -0.006 0.000 0.937 416 K CA -1.675 54.610 56.287 -0.004 0.000 0.833 416 K CB 3.136 35.633 32.500 -0.006 0.000 1.378 416 K HN -0.201 8.047 8.250 -0.003 0.000 0.432 417 A N 0.917 123.735 122.820 -0.004 0.000 2.425 417 A HA -0.012 nan 4.320 nan 0.000 0.249 417 A C -0.341 177.232 177.584 -0.018 0.000 1.084 417 A CA -0.093 51.941 52.037 -0.006 0.000 0.781 417 A CB 0.347 19.348 19.000 0.001 0.000 1.019 417 A HN 0.107 8.256 8.150 -0.002 0.000 0.490 418 Q N 3.659 123.440 119.800 -0.033 0.000 2.227 418 Q HA 0.186 nan 4.340 nan 0.000 0.245 418 Q C -0.079 175.880 176.000 -0.067 0.000 0.926 418 Q CA -0.714 55.053 55.803 -0.059 0.000 0.895 418 Q CB 2.670 31.349 28.738 -0.098 0.000 1.230 418 Q HN 0.206 8.459 8.270 -0.029 0.000 0.450 419 T N -4.006 110.505 114.554 -0.071 0.000 2.754 419 T HA 0.152 nan 4.350 nan 0.000 0.286 419 T C 0.716 175.356 174.700 -0.101 0.000 0.997 419 T CA -1.219 60.846 62.100 -0.059 0.000 0.982 419 T CB 1.401 70.244 68.868 -0.043 0.000 1.027 419 T HN 0.016 8.343 8.240 -0.073 -0.131 0.529 420 K N 1.785 122.152 120.400 -0.055 0.000 2.034 420 K HA -0.521 nan 4.320 nan 0.000 0.214 420 K C 1.548 178.059 176.600 -0.148 0.000 1.051 420 K CA 4.322 60.572 56.287 -0.062 0.000 0.931 420 K CB -0.188 32.341 32.500 0.048 0.000 0.715 420 K HN -0.052 8.188 8.250 -0.016 0.000 0.446 421 E N -2.068 118.090 120.200 -0.069 0.000 2.049 421 E HA -0.400 nan 4.350 nan 0.000 0.198 421 E C 2.939 179.501 176.600 -0.063 0.000 1.007 421 E CA 3.308 59.680 56.400 -0.047 0.000 0.809 421 E CB -0.930 28.747 29.700 -0.037 0.000 0.749 421 E HN 0.188 8.523 8.360 -0.041 0.000 0.450 422 Q N -1.011 118.738 119.800 -0.085 0.000 2.170 422 Q HA -0.316 nan 4.340 nan 0.000 0.203 422 Q C 2.565 178.482 176.000 -0.139 0.000 0.976 422 Q CA 2.923 58.687 55.803 -0.066 0.000 0.858 422 Q CB -0.052 28.648 28.738 -0.063 0.000 0.907 422 Q HN 0.006 8.226 8.270 -0.084 0.000 0.433 423 A N -0.091 122.517 122.820 -0.353 0.000 1.872 423 A HA -0.272 nan 4.320 nan 0.000 0.214 423 A C 1.775 178.962 177.584 -0.661 0.000 1.187 423 A CA 3.015 54.648 52.037 -0.672 0.000 0.614 423 A CB -0.868 17.353 19.000 -1.298 0.000 0.826 423 A HN -0.309 7.521 8.150 -0.357 0.106 0.442 424 D N -0.245 119.833 120.400 -0.537 0.000 2.106 424 D HA -0.357 nan 4.640 nan 0.000 0.191 424 D C 2.174 178.556 176.300 0.138 0.000 0.997 424 D CA 4.239 58.249 54.000 0.017 0.000 0.834 424 D CB -0.096 40.808 40.800 0.173 0.000 0.956 424 D HN -0.225 7.784 8.370 -0.603 0.000 0.448 425 F N -0.110 119.823 119.950 -0.028 0.000 2.113 425 F HA -0.395 nan 4.527 nan 0.000 0.297 425 F C 0.829 176.642 175.800 0.023 0.000 1.103 425 F CA 3.260 61.269 58.000 0.016 0.000 1.248 425 F CB 0.303 39.301 39.000 -0.003 0.000 0.999 425 F HN -0.578 7.830 8.300 0.181 0.000 0.475 426 A N -0.010 122.806 122.820 -0.005 0.000 1.865 426 A HA -0.378 nan 4.320 nan 0.000 0.217 426 A C 1.603 179.141 177.584 -0.076 0.000 1.191 426 A CA 3.075 55.067 52.037 -0.075 0.000 0.623 426 A CB -0.923 18.051 19.000 -0.042 0.000 0.826 426 A HN -0.571 7.633 8.150 0.090 0.000 0.444 427 I N -1.117 119.441 120.570 -0.020 0.000 2.264 427 I HA -0.516 nan 4.170 nan 0.000 0.248 427 I C 1.213 177.396 176.117 0.109 0.000 1.111 427 I CA 2.335 63.663 61.300 0.047 0.000 1.382 427 I CB -0.078 38.024 38.000 0.171 0.000 1.060 427 I HN -0.515 7.682 8.210 -0.021 0.000 0.418 428 E N 0.049 120.303 120.200 0.091 0.000 2.038 428 E HA -0.487 nan 4.350 nan 0.000 0.195 428 E C 2.023 178.597 176.600 -0.043 0.000 1.000 428 E CA 3.587 60.032 56.400 0.076 0.000 0.803 428 E CB -0.110 29.573 29.700 -0.029 0.000 0.750 428 E HN -0.270 8.121 8.360 0.069 0.010 0.448 429 A N -0.601 122.115 122.820 -0.173 0.000 1.917 429 A HA -0.275 nan 4.320 nan 0.000 0.219 429 A C 2.168 179.778 177.584 0.044 0.000 1.182 429 A CA 2.979 54.941 52.037 -0.126 0.000 0.633 429 A CB -0.735 18.155 19.000 -0.185 0.000 0.819 429 A HN -0.333 7.648 8.150 -0.282 0.000 0.448 430 L N -1.463 119.808 121.223 0.080 0.000 2.042 430 L HA -0.390 nan 4.340 nan 0.000 0.210 430 L C 1.816 178.839 176.870 0.255 0.000 1.076 430 L CA 2.803 57.751 54.840 0.180 0.000 0.749 430 L CB -0.567 41.536 42.059 0.072 0.000 0.893 430 L HN -0.261 7.904 8.230 0.022 0.078 0.432 431 A N -2.193 120.766 122.820 0.231 0.000 1.883 431 A HA -0.389 nan 4.320 nan 0.000 0.217 431 A C 2.001 179.746 177.584 0.270 0.000 1.186 431 A CA 3.351 55.558 52.037 0.284 0.000 0.624 431 A CB -0.721 18.509 19.000 0.384 0.000 0.822 431 A HN -0.080 8.096 8.150 0.194 0.090 0.444 432 K N -3.144 117.372 120.400 0.193 0.000 2.076 432 K HA -0.189 nan 4.320 nan 0.000 0.204 432 K C 2.159 178.895 176.600 0.227 0.000 1.051 432 K CA 2.429 58.832 56.287 0.194 0.000 0.949 432 K CB 0.020 32.572 32.500 0.087 0.000 0.726 432 K HN -0.685 7.649 8.250 0.140 0.000 0.443 433 A N -0.355 122.579 122.820 0.190 0.000 1.972 433 A HA -0.235 nan 4.320 nan 0.000 0.219 433 A C 1.781 179.434 177.584 0.114 0.000 1.169 433 A CA 2.944 55.056 52.037 0.126 0.000 0.635 433 A CB -0.983 18.109 19.000 0.154 0.000 0.810 433 A HN 0.285 8.548 8.150 0.189 0.000 0.446 434 K N -1.346 119.268 120.400 0.358 0.000 2.097 434 K HA -0.299 nan 4.320 nan 0.000 0.206 434 K C 1.832 178.551 176.600 0.197 0.000 1.049 434 K CA 3.064 59.594 56.287 0.404 0.000 0.933 434 K CB -0.158 32.654 32.500 0.521 0.000 0.717 434 K HN -0.442 8.045 8.250 0.411 0.010 0.442 435 F N -0.213 119.808 119.950 0.119 0.000 2.186 435 F HA -0.343 nan 4.527 nan 0.000 0.299 435 F C 1.428 177.201 175.800 -0.046 0.000 1.090 435 F CA 3.263 61.283 58.000 0.034 0.000 1.307 435 F CB 0.265 39.281 39.000 0.027 0.000 1.019 435 F HN -0.553 7.902 8.300 0.404 0.088 0.489 436 E N -0.114 120.116 120.200 0.050 0.000 2.047 436 E HA -0.443 nan 4.350 nan 0.000 0.191 436 E C 2.273 178.788 176.600 -0.142 0.000 0.987 436 E CA 3.595 59.983 56.400 -0.020 0.000 0.799 436 E CB -0.103 29.606 29.700 0.015 0.000 0.752 436 E HN -0.547 7.821 8.360 0.145 0.079 0.449 437 R N -1.572 118.783 120.500 -0.241 0.000 2.103 437 R HA -0.320 nan 4.340 nan 0.000 0.242 437 R C 2.616 178.784 176.300 -0.220 0.000 1.142 437 R CA 2.027 57.925 56.100 -0.337 0.000 0.960 437 R CB -0.840 29.066 30.300 -0.658 0.000 0.858 437 R HN -0.031 8.100 8.270 -0.233 0.000 0.439 438 L N -0.122 120.969 121.223 -0.219 0.000 2.012 438 L HA -0.330 nan 4.340 nan 0.000 0.210 438 L C 1.548 178.301 176.870 -0.194 0.000 1.073 438 L CA 3.244 57.943 54.840 -0.235 0.000 0.748 438 L CB -0.532 41.290 42.059 -0.394 0.000 0.891 438 L HN -0.079 8.023 8.230 -0.212 0.000 0.431 439 F N -0.405 119.275 119.950 -0.451 0.000 2.186 439 F HA -0.317 nan 4.527 nan 0.000 0.299 439 F C 1.434 177.088 175.800 -0.243 0.000 1.090 439 F CA 2.603 60.377 58.000 -0.377 0.000 1.307 439 F CB -0.257 38.503 39.000 -0.400 0.000 1.019 439 F HN -0.369 7.689 8.300 -0.259 0.086 0.489 440 R N -1.965 118.337 120.500 -0.330 0.000 2.120 440 R HA -0.428 nan 4.340 nan 0.000 0.234 440 R C 2.254 178.378 176.300 -0.293 0.000 1.123 440 R CA 2.652 58.527 56.100 -0.375 0.000 0.975 440 R CB -0.951 29.199 30.300 -0.249 0.000 0.866 440 R HN -0.314 7.842 8.270 -0.189 0.000 0.446 441 W N 1.142 122.228 121.300 -0.356 0.000 2.353 441 W HA -0.308 nan 4.660 nan 0.000 0.319 441 W C 2.072 178.393 176.519 -0.329 0.000 1.207 441 W CA 4.301 61.440 57.345 -0.345 0.000 1.291 441 W CB 0.055 29.289 29.460 -0.376 0.000 1.159 441 W HN -0.355 7.815 8.180 -0.017 0.000 0.478 442 I N -1.673 118.921 120.570 0.040 0.000 2.099 442 I HA -0.558 nan 4.170 nan 0.000 0.239 442 I C 2.152 178.187 176.117 -0.137 0.000 1.066 442 I CA 2.955 64.281 61.300 0.043 0.000 1.324 442 I CB -0.767 37.274 38.000 0.069 0.000 1.037 442 I HN 0.124 8.311 8.210 0.058 0.058 0.401 443 L N -2.385 118.586 121.223 -0.421 0.000 2.189 443 L HA -0.382 nan 4.340 nan 0.000 0.214 443 L C 1.549 178.228 176.870 -0.317 0.000 1.097 443 L CA 3.700 58.286 54.840 -0.424 0.000 0.764 443 L CB -0.197 41.366 42.059 -0.827 0.000 0.900 443 L HN 0.096 7.905 8.230 -0.701 0.000 0.436 444 T N -3.652 110.673 114.554 -0.382 0.000 3.043 444 T HA -0.074 nan 4.350 nan 0.000 0.263 444 T C 2.300 176.765 174.700 -0.392 0.000 1.094 444 T CA 2.646 64.526 62.100 -0.366 0.000 1.127 444 T CB -0.600 68.028 68.868 -0.400 0.000 0.905 444 T HN -0.470 7.481 8.240 -0.441 0.024 0.490 445 R N 1.699 121.930 120.500 -0.448 0.000 2.193 445 R HA -0.011 nan 4.340 nan 0.000 0.213 445 R C 2.071 178.286 176.300 -0.142 0.000 1.055 445 R CA 1.546 57.389 56.100 -0.428 0.000 0.995 445 R CB -0.781 29.189 30.300 -0.551 0.000 0.893 445 R HN -0.301 7.595 8.270 -0.470 0.092 0.459 446 V N 0.969 120.918 119.914 0.058 0.000 2.229 446 V HA -0.393 nan 4.120 nan 0.000 0.243 446 V C 2.058 178.154 176.094 0.002 0.000 1.042 446 V CA 4.459 66.847 62.300 0.146 0.000 1.000 446 V CB -0.578 31.324 31.823 0.131 0.000 0.637 446 V HN 0.332 8.530 8.190 0.013 0.000 0.446 447 N N -1.457 117.201 118.700 -0.070 0.000 2.205 447 N HA -0.370 nan 4.740 nan 0.000 0.186 447 N C 1.842 177.280 175.510 -0.119 0.000 1.015 447 N CA 3.151 56.143 53.050 -0.096 0.000 0.862 447 N CB -0.296 38.116 38.487 -0.125 0.000 0.986 447 N HN -0.319 8.008 8.380 -0.089 0.000 0.429 448 K N 0.154 120.455 120.400 -0.165 0.000 2.127 448 K HA -0.263 nan 4.320 nan 0.000 0.208 448 K C 1.270 177.783 176.600 -0.145 0.000 1.047 448 K CA 2.514 58.691 56.287 -0.185 0.000 0.927 448 K CB -0.257 32.082 32.500 -0.269 0.000 0.716 448 K HN -0.361 7.769 8.250 -0.194 0.004 0.450 449 A N -3.012 119.736 122.820 -0.119 0.000 2.081 449 A HA -0.008 nan 4.320 nan 0.000 0.214 449 A C 0.983 178.539 177.584 -0.046 0.000 1.158 449 A CA 1.827 53.817 52.037 -0.078 0.000 0.724 449 A CB 0.134 19.108 19.000 -0.044 0.000 0.826 449 A HN -0.253 7.726 8.150 -0.112 0.103 0.463 450 L N -3.734 117.462 121.223 -0.045 0.000 2.554 450 L HA 0.077 nan 4.340 nan 0.000 0.225 450 L C -0.213 176.624 176.870 -0.055 0.000 1.104 450 L CA 0.107 54.924 54.840 -0.038 0.000 0.866 450 L CB 0.846 42.885 42.059 -0.032 0.000 1.047 450 L HN -0.817 7.194 8.230 -0.059 0.184 0.468 459 S N -0.009 115.787 115.700 0.160 0.000 2.758 459 S HA 0.550 nan 4.470 nan 0.000 0.292 459 S C -0.824 173.928 174.600 0.254 0.000 1.131 459 S CA -0.539 57.720 58.200 0.099 0.000 0.997 459 S CB 1.963 65.216 63.200 0.089 0.000 1.111 459 S HN -0.113 8.316 8.310 0.198 0.000 0.552 460 F N -6.596 113.426 119.950 0.120 0.000 2.668 460 F HA 0.457 nan 4.527 nan 0.000 0.309 460 F C -2.764 173.071 175.800 0.058 0.000 1.117 460 F CA -1.244 56.735 58.000 -0.035 0.000 0.951 460 F CB 2.783 41.753 39.000 -0.050 0.000 1.323 460 F HN 0.598 8.994 8.300 -0.349 -0.306 0.451 461 L N 0.941 122.267 121.223 0.173 0.000 2.366 461 L HA 0.546 nan 4.340 nan 0.000 0.266 461 L C -0.263 176.650 176.870 0.072 0.000 1.010 461 L CA -1.562 53.387 54.840 0.181 0.000 0.879 461 L CB 1.619 43.829 42.059 0.252 0.000 1.228 461 L HN 0.315 8.425 8.230 -0.066 0.080 0.439 462 G N 6.426 115.309 108.800 0.138 0.000 2.406 462 G HA2 0.241 nan 3.960 nan 0.000 0.251 462 G HA3 0.241 nan 3.960 nan 0.000 0.251 462 G C -2.018 172.797 174.900 -0.141 0.000 1.271 462 G CA -0.115 44.892 45.100 -0.155 0.000 0.859 462 G HN 1.026 9.427 8.290 0.313 0.077 0.540 463 I N 2.309 122.670 120.570 -0.348 0.000 2.828 463 I HA 0.593 nan 4.170 nan 0.000 0.302 463 I C -1.937 174.174 176.117 -0.011 0.000 1.101 463 I CA -1.177 60.058 61.300 -0.109 0.000 1.031 463 I CB 4.462 42.403 38.000 -0.098 0.000 1.231 463 I HN 0.752 8.381 8.210 -0.765 0.122 0.427 464 L N 4.629 125.899 121.223 0.078 0.000 2.408 464 L HA 0.406 nan 4.340 nan 0.000 0.257 464 L C -2.165 174.756 176.870 0.085 0.000 1.053 464 L CA -1.540 53.400 54.840 0.166 0.000 0.922 464 L CB 1.195 43.369 42.059 0.192 0.000 1.261 464 L HN 0.100 8.343 8.230 0.023 0.000 0.458 465 D N 7.165 127.606 120.400 0.068 0.000 2.435 465 D HA 0.045 nan 4.640 nan 0.000 0.230 465 D C -0.374 175.943 176.300 0.028 0.000 1.215 465 D CA -1.655 52.356 54.000 0.018 0.000 0.947 465 D CB -0.411 40.365 40.800 -0.041 0.000 1.048 465 D HN 0.276 8.691 8.370 0.076 0.000 0.512 466 I N -1.497 119.093 120.570 0.033 0.000 2.494 466 I HA 0.123 nan 4.170 nan 0.000 0.289 466 I C -0.909 175.209 176.117 0.003 0.000 1.106 466 I CA -0.728 60.591 61.300 0.032 0.000 1.369 466 I CB -0.177 37.853 38.000 0.050 0.000 1.410 466 I HN -0.453 7.732 8.210 0.037 0.048 0.523 467 A N 7.230 130.043 122.820 -0.011 0.000 2.496 467 A HA -0.092 nan 4.320 nan 0.000 0.278 467 A C -0.894 176.706 177.584 0.027 0.000 1.137 467 A CA 0.622 52.654 52.037 -0.009 0.000 0.805 467 A CB -0.405 18.595 19.000 0.001 0.000 1.077 467 A HN 0.056 8.203 8.150 -0.006 0.000 0.513 468 G N 2.079 110.900 108.800 0.035 0.000 2.725 468 G HA2 0.213 nan 3.960 nan 0.000 0.288 468 G HA3 0.213 nan 3.960 nan 0.000 0.288 468 G C -0.837 174.113 174.900 0.083 0.000 1.399 468 G CA -0.994 44.146 45.100 0.067 0.000 0.859 468 G HN -0.641 7.666 8.290 0.028 0.000 0.479 469 F N 1.267 121.204 119.950 -0.021 0.000 1.946 469 F HA -0.532 nan 4.527 nan 0.000 0.236 469 F C -1.439 174.292 175.800 -0.116 0.000 1.071 469 F CA 1.007 58.984 58.000 -0.038 0.000 0.638 469 F CB -0.104 38.875 39.000 -0.035 0.000 0.528 469 F HN 0.345 9.188 8.300 0.275 -0.378 0.590 470 E N 4.860 124.930 120.200 -0.217 0.000 1.998 470 E HA 0.039 nan 4.350 nan 0.000 0.257 470 E C -0.776 175.589 176.600 -0.392 0.000 1.038 470 E CA -1.649 54.544 56.400 -0.345 0.000 0.869 470 E CB 0.193 29.815 29.700 -0.130 0.000 1.135 470 E HN -0.099 8.408 8.360 -0.243 -0.293 0.430 471 I N 5.230 125.548 120.570 -0.420 0.000 2.313 471 I HA 0.150 nan 4.170 nan 0.000 0.286 471 I C -1.631 174.247 176.117 -0.399 0.000 1.091 471 I CA -1.212 59.898 61.300 -0.317 0.000 1.216 471 I CB -0.049 37.848 38.000 -0.172 0.000 1.434 471 I HN -0.437 7.521 8.210 -0.330 0.054 0.487 472 F N 9.310 129.238 119.950 -0.037 0.000 2.355 472 F HA 0.090 nan 4.527 nan 0.000 0.340 472 F C -0.222 175.552 175.800 -0.042 0.000 1.067 472 F CA -0.774 57.213 58.000 -0.022 0.000 1.116 472 F CB 0.259 39.253 39.000 -0.009 0.000 1.582 472 F HN 0.157 8.698 8.300 -0.054 -0.274 0.512 473 E N -1.898 118.418 120.200 0.194 0.000 2.014 473 E HA -0.094 nan 4.350 nan 0.000 0.190 473 E C 1.207 177.857 176.600 0.083 0.000 0.980 473 E CA 1.886 58.336 56.400 0.082 0.000 0.807 473 E CB 0.393 30.129 29.700 0.060 0.000 0.770 473 E HN 0.148 8.651 8.360 0.238 0.000 0.451 474 I N 2.338 122.971 120.570 0.105 0.000 2.278 474 I HA -0.111 nan 4.170 nan 0.000 0.300 474 I C -1.329 174.882 176.117 0.157 0.000 1.174 474 I CA -0.138 61.226 61.300 0.107 0.000 1.347 474 I CB -1.491 36.552 38.000 0.073 0.000 1.473 474 I HN -0.289 7.985 8.210 0.107 0.000 0.595 475 N N 8.494 127.302 118.700 0.179 0.000 2.589 475 N HA 0.176 nan 4.740 nan 0.000 0.232 475 N C -1.004 174.746 175.510 0.399 0.000 1.015 475 N CA -0.724 52.474 53.050 0.247 0.000 0.931 475 N CB 0.582 39.168 38.487 0.166 0.000 1.150 475 N HN -0.346 8.078 8.380 0.130 0.034 0.512 476 S N 3.789 119.681 115.700 0.320 0.000 2.598 476 S HA 0.111 nan 4.470 nan 0.000 0.267 476 S C 0.178 174.709 174.600 -0.116 0.000 1.189 476 S CA -0.479 57.934 58.200 0.356 0.000 1.010 476 S CB 0.986 64.309 63.200 0.205 0.000 1.084 476 S HN -0.668 7.919 8.310 0.216 -0.147 0.541 477 F N 3.127 122.483 119.950 -0.992 0.000 2.095 477 F HA -0.352 nan 4.527 nan 0.000 0.298 477 F C 1.263 176.703 175.800 -0.599 0.000 1.104 477 F CA 4.355 61.513 58.000 -1.403 0.000 1.232 477 F CB 0.203 38.452 39.000 -1.252 0.000 0.987 477 F HN 0.540 8.483 8.300 -0.595 0.000 0.475 478 E N -2.505 117.425 120.200 -0.450 0.000 2.113 478 E HA -0.558 nan 4.350 nan 0.000 0.210 478 E C 2.431 178.869 176.600 -0.270 0.000 1.040 478 E CA 4.000 60.210 56.400 -0.317 0.000 0.847 478 E CB -1.022 28.619 29.700 -0.099 0.000 0.755 478 E HN 0.502 8.728 8.360 -0.224 0.000 0.459 479 Q N -2.012 117.712 119.800 -0.126 0.000 2.230 479 Q HA -0.180 nan 4.340 nan 0.000 0.202 479 Q C 2.368 178.374 176.000 0.010 0.000 0.963 479 Q CA 2.467 58.275 55.803 0.008 0.000 0.866 479 Q CB -0.122 28.710 28.738 0.157 0.000 0.931 479 Q HN -0.482 7.629 8.270 -0.097 0.101 0.452 480 L N 0.544 121.682 121.223 -0.142 0.000 1.976 480 L HA -0.312 nan 4.340 nan 0.000 0.209 480 L C 1.152 177.959 176.870 -0.104 0.000 1.071 480 L CA 3.662 58.360 54.840 -0.236 0.000 0.746 480 L CB 0.013 41.774 42.059 -0.496 0.000 0.890 480 L HN -0.571 7.386 8.230 -0.286 0.101 0.432 481 C N -2.314 116.803 119.300 -0.305 0.000 2.456 481 C HA -0.288 nan 4.460 nan 0.000 0.279 481 C C 2.553 177.478 174.990 -0.108 0.000 1.427 481 C CA 3.586 62.525 59.018 -0.132 0.000 1.778 481 C CB -2.188 25.256 27.740 -0.494 0.000 1.842 481 C HN -0.444 7.397 8.230 -0.648 0.000 0.531 482 I N 1.710 122.194 120.570 -0.143 0.000 2.058 482 I HA -0.678 nan 4.170 nan 0.000 0.235 482 I C 1.210 177.350 176.117 0.039 0.000 1.053 482 I CA 4.708 65.980 61.300 -0.047 0.000 1.313 482 I CB -0.118 37.852 38.000 -0.050 0.000 1.039 482 I HN -0.540 7.527 8.210 -0.239 0.000 0.396 483 N N -1.520 117.209 118.700 0.048 0.000 2.519 483 N HA -0.269 nan 4.740 nan 0.000 0.186 483 N C 2.380 177.991 175.510 0.170 0.000 1.062 483 N CA 2.695 55.764 53.050 0.032 0.000 0.910 483 N CB -0.424 38.033 38.487 -0.050 0.000 0.958 483 N HN -0.309 8.092 8.380 0.036 0.000 0.445 484 Y N 1.618 121.973 120.300 0.092 0.000 2.133 484 Y HA -0.253 nan 4.550 nan 0.000 0.287 484 Y C 1.069 177.005 175.900 0.059 0.000 1.134 484 Y CA 2.875 61.037 58.100 0.104 0.000 1.133 484 Y CB -0.299 38.226 38.460 0.108 0.000 0.987 484 Y HN 0.379 8.631 8.280 0.318 0.218 0.502 485 T N -1.835 112.832 114.554 0.188 0.000 2.942 485 T HA -0.327 nan 4.350 nan 0.000 0.265 485 T C 2.633 177.397 174.700 0.106 0.000 1.062 485 T CA 3.557 65.691 62.100 0.057 0.000 1.139 485 T CB -0.636 68.165 68.868 -0.113 0.000 0.883 485 T HN -0.208 8.014 8.240 0.131 0.096 0.468 486 N N 2.282 121.075 118.700 0.155 0.000 2.036 486 N HA -0.456 nan 4.740 nan 0.000 0.195 486 N C 1.613 177.307 175.510 0.306 0.000 1.037 486 N CA 4.001 57.213 53.050 0.270 0.000 0.855 486 N CB -0.202 38.524 38.487 0.397 0.000 1.033 486 N HN 0.012 8.467 8.380 0.124 0.000 0.423 487 E N 0.644 120.968 120.200 0.206 0.000 2.023 487 E HA -0.300 nan 4.350 nan 0.000 0.196 487 E C 2.087 178.742 176.600 0.091 0.000 1.003 487 E CA 2.653 59.136 56.400 0.139 0.000 0.809 487 E CB -0.357 29.315 29.700 -0.046 0.000 0.755 487 E HN -0.226 8.014 8.360 0.131 0.198 0.449 488 K N -1.209 119.268 120.400 0.127 0.000 2.144 488 K HA -0.388 nan 4.320 nan 0.000 0.209 488 K C 2.916 179.544 176.600 0.046 0.000 1.047 488 K CA 3.098 59.437 56.287 0.086 0.000 0.927 488 K CB -0.282 32.282 32.500 0.106 0.000 0.716 488 K HN -0.060 8.307 8.250 0.195 0.000 0.454 489 L N -1.429 119.834 121.223 0.067 0.000 2.156 489 L HA -0.209 nan 4.340 nan 0.000 0.208 489 L C 1.798 178.685 176.870 0.028 0.000 1.095 489 L CA 2.146 57.047 54.840 0.102 0.000 0.770 489 L CB -0.669 41.470 42.059 0.133 0.000 0.914 489 L HN -0.060 8.009 8.230 0.096 0.218 0.439 490 Q N 0.159 119.828 119.800 -0.218 0.000 2.020 490 Q HA -0.425 nan 4.340 nan 0.000 0.202 490 Q C 1.981 177.832 176.000 -0.249 0.000 0.982 490 Q CA 3.147 58.672 55.803 -0.464 0.000 0.838 490 Q CB -0.631 27.365 28.738 -1.237 0.000 0.899 490 Q HN -0.478 7.658 8.270 -0.224 0.000 0.423 491 Q N -0.699 118.991 119.800 -0.183 0.000 2.368 491 Q HA -0.253 nan 4.340 nan 0.000 0.210 491 Q C 2.721 178.685 176.000 -0.060 0.000 0.982 491 Q CA 2.136 57.877 55.803 -0.104 0.000 0.884 491 Q CB -0.685 28.029 28.738 -0.041 0.000 0.933 491 Q HN -0.425 7.729 8.270 -0.193 0.000 0.460 492 L N 0.430 121.653 121.223 0.001 0.000 2.068 492 L HA -0.199 nan 4.340 nan 0.000 0.204 492 L C 1.693 178.519 176.870 -0.074 0.000 1.076 492 L CA 2.645 57.543 54.840 0.097 0.000 0.753 492 L CB -0.580 41.634 42.059 0.259 0.000 0.910 492 L HN -0.005 8.004 8.230 0.018 0.231 0.439 493 F N 0.943 120.596 119.950 -0.494 0.000 2.091 493 F HA -0.541 nan 4.527 nan 0.000 0.299 493 F C 1.115 176.338 175.800 -0.961 0.000 1.103 493 F CA 3.795 61.116 58.000 -1.132 0.000 1.228 493 F CB -0.151 38.166 39.000 -1.139 0.000 0.984 493 F HN -0.158 8.023 8.300 -0.071 0.076 0.477 494 N N -1.639 116.465 118.700 -0.993 0.000 2.142 494 N HA -0.387 nan 4.740 nan 0.000 0.186 494 N C 1.891 176.991 175.510 -0.683 0.000 1.023 494 N CA 3.139 55.458 53.050 -1.219 0.000 0.852 494 N CB 0.044 38.194 38.487 -0.562 0.000 0.998 494 N HN -0.030 8.015 8.380 -0.518 0.024 0.424 495 H N -0.319 118.505 119.070 -0.410 0.000 2.546 495 H HA -0.058 nan 4.556 nan 0.000 0.277 495 H C 1.480 176.672 175.328 -0.227 0.000 1.004 495 H CA 3.307 59.229 56.048 -0.210 0.000 1.231 495 H CB 0.459 30.162 29.762 -0.099 0.000 1.382 495 H HN -0.134 7.914 8.280 -0.192 0.117 0.580 496 T N -1.687 112.632 114.554 -0.392 0.000 3.608 496 T HA 0.092 nan 4.350 nan 0.000 0.213 496 T C 1.933 176.343 174.700 -0.483 0.000 0.897 496 T CA 1.591 63.491 62.100 -0.334 0.000 1.533 496 T CB 0.026 68.830 68.868 -0.107 0.000 1.504 496 T HN 0.196 7.942 8.240 -0.523 0.180 0.446 497 M N 2.375 121.547 119.600 -0.713 0.000 2.195 497 M HA -0.379 nan 4.480 nan 0.000 0.260 497 M C 1.586 177.697 176.300 -0.315 0.000 1.066 497 M CA 2.872 57.826 55.300 -0.575 0.000 1.089 497 M CB -0.336 31.813 32.600 -0.752 0.000 1.377 497 M HN -0.194 7.514 8.290 -0.969 0.000 0.411 498 F N -3.480 116.087 119.950 -0.639 0.000 2.050 498 F HA -0.068 nan 4.527 nan 0.000 0.284 498 F C 1.678 177.184 175.800 -0.490 0.000 1.194 498 F CA 0.296 58.023 58.000 -0.456 0.000 1.131 498 F CB -1.020 37.764 39.000 -0.360 0.000 1.009 498 F HN -0.971 6.796 8.300 -0.851 0.023 0.487 499 I N -2.088 118.356 120.570 -0.210 0.000 2.110 499 I HA -0.453 nan 4.170 nan 0.000 0.236 499 I C 2.477 178.485 176.117 -0.183 0.000 1.068 499 I CA 4.377 65.585 61.300 -0.154 0.000 1.333 499 I CB 0.158 38.062 38.000 -0.161 0.000 1.054 499 I HN -0.649 7.442 8.210 -0.200 0.000 0.402 500 L N -3.040 118.003 121.223 -0.301 0.000 2.395 500 L HA -0.246 nan 4.340 nan 0.000 0.218 500 L C 2.238 178.967 176.870 -0.235 0.000 1.130 500 L CA 2.003 56.716 54.840 -0.212 0.000 0.826 500 L CB -0.548 41.423 42.059 -0.146 0.000 0.941 500 L HN 0.073 7.886 8.230 -0.379 0.190 0.451 501 E N 0.966 120.960 120.200 -0.343 0.000 2.076 501 E HA -0.258 nan 4.350 nan 0.000 0.190 501 E C 2.113 178.205 176.600 -0.847 0.000 0.979 501 E CA 2.831 58.896 56.400 -0.559 0.000 0.807 501 E CB -0.564 28.828 29.700 -0.513 0.000 0.761 501 E HN 0.360 8.383 8.360 -0.340 0.132 0.454 502 Q N -0.845 118.640 119.800 -0.526 0.000 2.234 502 Q HA -0.314 nan 4.340 nan 0.000 0.206 502 Q C 2.775 178.765 176.000 -0.017 0.000 0.980 502 Q CA 3.108 58.771 55.803 -0.234 0.000 0.869 502 Q CB -0.069 28.613 28.738 -0.095 0.000 0.912 502 Q HN -0.121 7.885 8.270 -0.439 0.000 0.436 503 E N -1.350 118.818 120.200 -0.054 0.000 2.385 503 E HA -0.126 nan 4.350 nan 0.000 0.194 503 E C 1.972 178.566 176.600 -0.009 0.000 1.013 503 E CA 1.944 58.353 56.400 0.015 0.000 0.866 503 E CB 0.108 29.812 29.700 0.006 0.000 0.832 503 E HN -0.087 8.023 8.360 -0.135 0.169 0.500 504 E N 1.942 122.086 120.200 -0.094 0.000 2.112 504 E HA -0.215 nan 4.350 nan 0.000 0.190 504 E C 2.380 179.025 176.600 0.075 0.000 0.979 504 E CA 2.296 58.677 56.400 -0.031 0.000 0.814 504 E CB -0.743 28.893 29.700 -0.107 0.000 0.762 504 E HN 0.117 8.154 8.360 -0.203 0.201 0.460 505 Y N -1.448 118.781 120.300 -0.118 0.000 2.224 505 Y HA -0.262 nan 4.550 nan 0.000 0.289 505 Y C 2.727 178.586 175.900 -0.069 0.000 1.146 505 Y CA 1.732 59.691 58.100 -0.235 0.000 1.182 505 Y CB -0.833 37.410 38.460 -0.361 0.000 0.983 505 Y HN 0.216 8.129 8.280 -0.335 0.166 0.524 506 Q N -1.709 118.187 119.800 0.159 0.000 2.269 506 Q HA -0.096 nan 4.340 nan 0.000 0.201 506 Q C 1.930 177.983 176.000 0.089 0.000 0.946 506 Q CA 1.930 57.808 55.803 0.124 0.000 0.877 506 Q CB -0.152 28.666 28.738 0.132 0.000 0.963 506 Q HN 0.053 8.201 8.270 0.136 0.203 0.472 507 R N -1.306 119.244 120.500 0.085 0.000 2.200 507 R HA -0.242 nan 4.340 nan 0.000 0.234 507 R C 1.226 177.582 176.300 0.092 0.000 1.127 507 R CA 2.655 58.801 56.100 0.078 0.000 0.989 507 R CB 0.055 30.399 30.300 0.073 0.000 0.869 507 R HN -0.121 8.068 8.270 0.081 0.129 0.459 508 E N -4.538 115.732 120.200 0.117 0.000 2.162 508 E HA 0.113 nan 4.350 nan 0.000 0.193 508 E C 0.401 177.042 176.600 0.068 0.000 0.953 508 E CA -0.030 56.441 56.400 0.119 0.000 0.849 508 E CB 2.013 31.829 29.700 0.194 0.000 0.810 508 E HN -0.766 7.547 8.360 0.130 0.125 0.470 509 G N -0.418 108.414 108.800 0.054 0.000 2.171 509 G HA2 -0.398 nan 3.960 nan 0.000 0.238 509 G HA3 -0.398 nan 3.960 nan 0.000 0.238 509 G C -0.389 174.495 174.900 -0.027 0.000 1.039 509 G CA 0.190 45.305 45.100 0.024 0.000 0.759 509 G HN -0.191 7.960 8.290 0.075 0.184 0.501 510 I N -4.554 115.978 120.570 -0.064 0.000 2.696 510 I HA 0.036 nan 4.170 nan 0.000 0.284 510 I C -0.283 175.769 176.117 -0.108 0.000 1.129 510 I CA -0.273 60.914 61.300 -0.188 0.000 1.410 510 I CB 0.674 38.388 38.000 -0.478 0.000 1.399 510 I HN -0.286 7.908 8.210 -0.027 0.000 0.579 511 E N 5.916 126.017 120.200 -0.166 0.000 2.672 511 E HA -0.334 nan 4.350 nan 0.000 0.234 511 E C -1.563 174.923 176.600 -0.190 0.000 1.162 511 E CA 1.192 57.488 56.400 -0.173 0.000 0.952 511 E CB -0.312 29.252 29.700 -0.227 0.000 0.987 511 E HN 0.330 8.556 8.360 -0.224 0.000 0.507 512 W N 5.500 126.707 121.300 -0.155 0.000 2.884 512 W HA 0.170 nan 4.660 nan 0.000 0.336 512 W C -1.986 174.514 176.519 -0.031 0.000 1.038 512 W CA -0.717 56.560 57.345 -0.113 0.000 1.247 512 W CB 2.369 31.770 29.460 -0.098 0.000 1.351 512 W HN -0.403 7.762 8.180 -0.025 0.000 0.446 513 N N 4.730 123.021 118.700 -0.683 0.000 2.430 513 N HA -0.110 nan 4.740 nan 0.000 0.265 513 N C -1.155 174.313 175.510 -0.070 0.000 1.100 513 N CA -0.484 52.390 53.050 -0.293 0.000 0.961 513 N CB 0.432 38.731 38.487 -0.314 0.000 1.075 513 N HN -0.164 7.495 8.380 -1.201 0.000 0.478 514 F N 4.049 124.003 119.950 0.007 0.000 2.578 514 F HA -0.233 nan 4.527 nan 0.000 0.381 514 F C -0.778 174.983 175.800 -0.065 0.000 1.069 514 F CA 1.053 59.092 58.000 0.066 0.000 1.231 514 F CB 0.643 39.654 39.000 0.019 0.000 1.086 514 F HN 0.062 8.511 8.300 0.249 0.000 0.564 515 I N 7.815 128.122 120.570 -0.439 0.000 2.447 515 I HA 0.157 nan 4.170 nan 0.000 0.287 515 I C -1.677 173.842 176.117 -0.997 0.000 1.023 515 I CA -1.003 59.953 61.300 -0.573 0.000 1.083 515 I CB 2.282 39.972 38.000 -0.516 0.000 1.245 515 I HN 0.037 8.130 8.210 -0.659 -0.279 0.434 516 D N 7.069 126.976 120.400 -0.822 0.000 2.340 516 D HA 0.188 nan 4.640 nan 0.000 0.240 516 D C -0.685 175.089 176.300 -0.875 0.000 1.001 516 D CA -1.021 52.560 54.000 -0.699 0.000 0.888 516 D CB 2.355 43.111 40.800 -0.073 0.000 1.310 516 D HN -0.170 7.854 8.370 -0.576 0.000 0.474 517 F N -0.686 119.140 119.950 -0.207 0.000 2.798 517 F HA 0.265 nan 4.527 nan 0.000 0.328 517 F C -0.270 175.518 175.800 -0.021 0.000 1.098 517 F CA -0.147 57.750 58.000 -0.172 0.000 1.172 517 F CB 1.047 39.836 39.000 -0.351 0.000 1.072 517 F HN 0.183 8.388 8.300 -0.158 0.000 0.555 518 G N 0.798 109.690 108.800 0.154 0.000 2.203 518 G HA2 -0.378 nan 3.960 nan 0.000 0.231 518 G HA3 -0.378 nan 3.960 nan 0.000 0.231 518 G C -0.590 174.424 174.900 0.190 0.000 1.058 518 G CA 0.256 45.444 45.100 0.147 0.000 0.781 518 G HN -0.543 8.011 8.290 0.105 -0.200 0.496 519 L N -0.601 120.777 121.223 0.258 0.000 2.529 519 L HA 0.214 nan 4.340 nan 0.000 0.246 519 L C -1.817 175.174 176.870 0.203 0.000 1.394 519 L CA -0.752 54.246 54.840 0.265 0.000 0.906 519 L CB 0.320 42.629 42.059 0.416 0.000 1.170 519 L HN -0.502 7.896 8.230 0.279 0.000 0.501 520 D N 0.597 121.087 120.400 0.150 0.000 2.391 520 D HA 0.214 nan 4.640 nan 0.000 0.245 520 D C -0.291 176.066 176.300 0.096 0.000 1.069 520 D CA -0.415 53.653 54.000 0.114 0.000 0.831 520 D CB 1.937 42.806 40.800 0.116 0.000 1.204 520 D HN -0.587 7.870 8.370 0.146 0.000 0.503 521 L N 4.040 125.307 121.223 0.073 0.000 2.693 521 L HA 0.269 nan 4.340 nan 0.000 0.235 521 L C 1.174 178.098 176.870 0.089 0.000 1.127 521 L CA -0.566 54.325 54.840 0.084 0.000 0.914 521 L CB 0.585 42.684 42.059 0.066 0.000 1.193 521 L HN 0.804 9.472 8.230 0.056 -0.404 0.502 522 Q N 1.513 121.357 119.800 0.074 0.000 2.112 522 Q HA -0.211 nan 4.340 nan 0.000 0.206 522 Q C -1.227 174.834 176.000 0.101 0.000 0.987 522 Q CA 5.485 61.329 55.803 0.067 0.000 0.858 522 Q CB -2.386 26.379 28.738 0.045 0.000 0.905 522 Q HN -0.166 8.400 8.270 0.070 -0.254 0.420 523 P HA -0.350 nan 4.420 nan 0.000 0.217 523 P C 1.239 178.663 177.300 0.207 0.000 1.151 523 P CA 2.759 66.001 63.100 0.236 0.000 0.849 523 P CB -0.634 31.223 31.700 0.262 0.000 0.787 524 C N -4.594 114.782 119.300 0.127 0.000 2.446 524 C HA -0.149 nan 4.460 nan 0.000 0.279 524 C C 2.474 177.555 174.990 0.150 0.000 1.366 524 C CA 2.624 61.728 59.018 0.144 0.000 1.763 524 C CB -1.593 26.277 27.740 0.217 0.000 1.929 524 C HN -0.110 8.195 8.230 0.124 0.000 0.509 525 I N 0.723 121.358 120.570 0.109 0.000 2.235 525 I HA -0.429 nan 4.170 nan 0.000 0.241 525 I C 1.737 177.849 176.117 -0.007 0.000 1.085 525 I CA 3.665 64.983 61.300 0.030 0.000 1.378 525 I CB -0.111 37.921 38.000 0.053 0.000 1.076 525 I HN -0.521 7.630 8.210 0.114 0.127 0.415 526 E N -1.093 119.139 120.200 0.053 0.000 2.219 526 E HA -0.349 nan 4.350 nan 0.000 0.198 526 E C 3.012 179.642 176.600 0.051 0.000 0.998 526 E CA 2.903 59.329 56.400 0.043 0.000 0.818 526 E CB -0.578 29.154 29.700 0.053 0.000 0.741 526 E HN 0.204 8.506 8.360 0.080 0.106 0.477 527 L N -0.625 120.686 121.223 0.146 0.000 2.017 527 L HA -0.255 nan 4.340 nan 0.000 0.208 527 L C 1.675 178.555 176.870 0.018 0.000 1.073 527 L CA 2.913 57.834 54.840 0.135 0.000 0.745 527 L CB 0.165 42.346 42.059 0.204 0.000 0.894 527 L HN -0.181 8.172 8.230 0.217 0.007 0.432 528 I N -2.323 118.215 120.570 -0.054 0.000 2.876 528 I HA -0.374 nan 4.170 nan 0.000 0.264 528 I C 0.732 176.703 176.117 -0.243 0.000 1.204 528 I CA 2.525 63.719 61.300 -0.176 0.000 1.485 528 I CB 0.099 37.910 38.000 -0.314 0.000 1.103 528 I HN -0.189 7.902 8.210 -0.047 0.091 0.446 529 E N -0.037 120.037 120.200 -0.210 0.000 2.162 529 E HA -0.110 nan 4.350 nan 0.000 0.193 529 E C -0.698 175.944 176.600 0.069 0.000 0.953 529 E CA 1.138 57.510 56.400 -0.048 0.000 0.849 529 E CB 1.001 30.688 29.700 -0.022 0.000 0.810 529 E HN 0.021 8.287 8.360 -0.157 0.000 0.470 530 R N 0.821 121.337 120.500 0.027 0.000 2.296 530 R HA 0.270 nan 4.340 nan 0.000 0.323 530 R C -1.139 175.179 176.300 0.030 0.000 1.067 530 R CA -2.049 54.066 56.100 0.026 0.000 0.946 530 R CB 0.384 30.684 30.300 -0.000 0.000 0.991 530 R HN -0.757 7.512 8.270 -0.002 0.000 0.448 531 P HA -0.033 nan 4.420 nan 0.000 0.210 531 P C -0.922 176.392 177.300 0.023 0.000 1.191 531 P CA 2.164 65.291 63.100 0.044 0.000 0.917 531 P CB -0.264 31.467 31.700 0.052 0.000 0.778 532 T N -5.250 109.311 114.554 0.011 0.000 2.946 532 T HA 0.077 nan 4.350 nan 0.000 0.295 532 T C -0.193 174.496 174.700 -0.019 0.000 1.143 532 T CA -1.193 60.905 62.100 -0.002 0.000 0.944 532 T CB 1.523 70.391 68.868 0.000 0.000 1.800 532 T HN -0.269 7.979 8.240 0.013 0.000 0.590 533 N N -1.741 116.943 118.700 -0.026 0.000 1.220 533 N HA -0.151 nan 4.740 nan 0.000 0.114 533 N C -2.149 173.329 175.510 -0.052 0.000 0.835 533 N CA 1.019 54.045 53.050 -0.040 0.000 0.863 533 N CB -2.303 36.156 38.487 -0.046 0.000 0.992 533 N HN 0.214 8.582 8.380 -0.020 0.000 0.632 534 P HA 0.318 nan 4.420 nan 0.000 0.275 534 P C -2.336 174.911 177.300 -0.089 0.000 1.276 534 P CA -0.822 62.223 63.100 -0.091 0.000 0.782 534 P CB -0.515 31.113 31.700 -0.120 0.000 0.851 535 P HA -0.057 nan 4.420 nan 0.000 0.268 535 P C -1.030 176.234 177.300 -0.061 0.000 1.208 535 P CA 0.022 63.096 63.100 -0.044 0.000 0.777 535 P CB 0.564 32.253 31.700 -0.019 0.000 0.875 536 G N 0.144 108.936 108.800 -0.014 0.000 2.477 536 G HA2 0.286 nan 3.960 nan 0.000 0.304 536 G HA3 0.286 nan 3.960 nan 0.000 0.304 536 G C 0.221 175.162 174.900 0.068 0.000 1.175 536 G CA -1.541 43.557 45.100 -0.003 0.000 0.907 536 G HN 0.066 8.361 8.290 0.009 0.000 0.509 537 V N 3.020 122.987 119.914 0.088 0.000 2.250 537 V HA -0.514 nan 4.120 nan 0.000 0.250 537 V C 1.965 178.347 176.094 0.480 0.000 1.060 537 V CA 4.160 66.623 62.300 0.272 0.000 1.030 537 V CB -0.431 31.579 31.823 0.312 0.000 0.643 537 V HN 0.080 8.291 8.190 0.035 0.000 0.445 538 L N -1.633 119.818 121.223 0.380 0.000 1.970 538 L HA -0.483 nan 4.340 nan 0.000 0.212 538 L C 1.724 178.753 176.870 0.264 0.000 1.071 538 L CA 3.250 58.325 54.840 0.391 0.000 0.751 538 L CB -0.548 41.778 42.059 0.445 0.000 0.889 538 L HN -0.423 7.984 8.230 0.295 0.000 0.432 539 A N -0.838 122.106 122.820 0.207 0.000 1.873 539 A HA -0.420 nan 4.320 nan 0.000 0.218 539 A C 2.060 179.728 177.584 0.140 0.000 1.193 539 A CA 3.080 55.205 52.037 0.146 0.000 0.629 539 A CB -1.123 17.941 19.000 0.106 0.000 0.826 539 A HN -0.168 8.103 8.150 0.201 0.000 0.447 540 L N -3.205 118.121 121.223 0.171 0.000 2.129 540 L HA -0.378 nan 4.340 nan 0.000 0.212 540 L C 2.237 179.263 176.870 0.261 0.000 1.087 540 L CA 2.783 57.738 54.840 0.192 0.000 0.757 540 L CB -0.403 41.759 42.059 0.171 0.000 0.896 540 L HN 0.155 8.484 8.230 0.165 0.000 0.434 541 L N -1.085 120.288 121.223 0.251 0.000 2.202 541 L HA -0.209 nan 4.340 nan 0.000 0.205 541 L C 1.153 177.968 176.870 -0.091 0.000 1.083 541 L CA 2.881 57.718 54.840 -0.006 0.000 0.790 541 L CB -0.168 41.730 42.059 -0.269 0.000 0.942 541 L HN -0.237 8.043 8.230 0.304 0.132 0.452 542 D N -1.232 119.140 120.400 -0.047 0.000 2.218 542 D HA -0.332 nan 4.640 nan 0.000 0.204 542 D C 1.411 177.647 176.300 -0.107 0.000 0.976 542 D CA 3.324 57.245 54.000 -0.132 0.000 0.853 542 D CB -0.310 40.482 40.800 -0.013 0.000 0.939 542 D HN 0.058 8.269 8.370 0.041 0.184 0.481 543 E N -0.425 119.805 120.200 0.050 0.000 2.011 543 E HA -0.138 nan 4.350 nan 0.000 0.191 543 E C 1.961 178.634 176.600 0.122 0.000 0.980 543 E CA 2.303 58.789 56.400 0.143 0.000 0.814 543 E CB 0.888 30.654 29.700 0.109 0.000 0.775 543 E HN -0.069 8.326 8.360 0.068 0.006 0.454 544 E N -0.610 119.647 120.200 0.095 0.000 2.501 544 E HA -0.234 nan 4.350 nan 0.000 0.203 544 E C 2.643 179.276 176.600 0.056 0.000 1.072 544 E CA 2.155 58.629 56.400 0.123 0.000 0.885 544 E CB -0.528 29.268 29.700 0.161 0.000 0.813 544 E HN 0.005 8.319 8.360 0.106 0.109 0.556 545 C N 0.340 119.577 119.300 -0.105 0.000 2.413 545 C HA -0.203 nan 4.460 nan 0.000 0.276 545 C C 0.925 175.842 174.990 -0.122 0.000 1.248 545 C CA 2.999 61.867 59.018 -0.250 0.000 1.742 545 C CB -0.778 26.602 27.740 -0.600 0.000 2.017 545 C HN 0.234 8.327 8.230 -0.148 0.047 0.481 546 W N -3.033 118.337 121.300 0.117 0.000 3.256 546 W HA 0.064 nan 4.660 nan 0.000 0.269 546 W C -0.746 175.898 176.519 0.208 0.000 1.310 546 W CA -0.306 57.120 57.345 0.135 0.000 1.673 546 W CB -0.345 29.184 29.460 0.114 0.000 1.115 546 W HN -0.022 8.118 8.180 0.156 0.133 0.686 547 F N 0.863 120.930 119.950 0.196 0.000 2.520 547 F HA 0.372 nan 4.527 nan 0.000 0.322 547 F C -1.279 174.577 175.800 0.094 0.000 1.103 547 F CA -3.889 54.193 58.000 0.136 0.000 0.926 547 F CB 2.408 41.478 39.000 0.117 0.000 1.154 547 F HN -0.738 7.723 8.300 0.372 0.061 0.453 548 P HA -0.115 nan 4.420 nan 0.000 0.217 548 P C 0.367 177.552 177.300 -0.192 0.000 1.154 548 P CA 1.360 64.311 63.100 -0.249 0.000 0.841 548 P CB 0.514 32.045 31.700 -0.282 0.000 0.788 549 K N 0.319 120.515 120.400 -0.340 0.000 2.911 549 K HA 0.024 nan 4.320 nan 0.000 0.239 549 K C -1.785 174.962 176.600 0.245 0.000 1.090 549 K CA -1.067 55.212 56.287 -0.013 0.000 1.225 549 K CB -0.960 31.546 32.500 0.010 0.000 1.087 549 K HN 0.173 7.845 8.250 -0.965 0.000 0.464 550 A N -0.645 122.328 122.820 0.254 0.000 2.386 550 A HA 0.662 nan 4.320 nan 0.000 0.311 550 A C -1.979 175.703 177.584 0.164 0.000 1.068 550 A CA -0.394 51.817 52.037 0.290 0.000 0.743 550 A CB 3.006 22.248 19.000 0.403 0.000 1.258 550 A HN -0.645 7.485 8.150 0.138 0.102 0.429 551 T N -0.685 113.954 114.554 0.142 0.000 2.932 551 T HA 0.325 nan 4.350 nan 0.000 0.318 551 T C -1.165 173.609 174.700 0.123 0.000 1.265 551 T CA -1.363 60.799 62.100 0.104 0.000 1.036 551 T CB 3.229 72.144 68.868 0.078 0.000 1.209 551 T HN 0.501 9.032 8.240 0.160 -0.195 0.484 552 D N 3.072 123.533 120.400 0.102 0.000 2.172 552 D HA -0.371 nan 4.640 nan 0.000 0.196 552 D C 1.767 178.139 176.300 0.120 0.000 0.999 552 D CA 4.524 58.593 54.000 0.114 0.000 0.856 552 D CB -0.482 40.345 40.800 0.045 0.000 0.934 552 D HN 0.589 9.005 8.370 0.077 0.000 0.453 553 T N -0.998 113.599 114.554 0.071 0.000 2.555 553 T HA -0.269 nan 4.350 nan 0.000 0.264 553 T C 2.141 176.864 174.700 0.038 0.000 1.083 553 T CA 3.276 65.403 62.100 0.046 0.000 1.179 553 T CB -0.721 68.169 68.868 0.036 0.000 0.863 553 T HN 0.164 8.440 8.240 0.060 0.000 0.412 554 S N 2.780 118.514 115.700 0.057 0.000 2.465 554 S HA -0.324 nan 4.470 nan 0.000 0.241 554 S C 1.753 176.370 174.600 0.029 0.000 1.000 554 S CA 2.697 60.921 58.200 0.039 0.000 0.964 554 S CB -0.462 62.779 63.200 0.068 0.000 0.763 554 S HN -0.485 7.816 8.310 0.072 0.052 0.512 555 F N 3.622 123.548 119.950 -0.040 0.000 2.084 555 F HA -0.277 nan 4.527 nan 0.000 0.296 555 F C 0.986 176.713 175.800 -0.122 0.000 1.111 555 F CA 3.467 61.426 58.000 -0.069 0.000 1.224 555 F CB 0.069 39.029 39.000 -0.068 0.000 0.991 555 F HN 0.192 8.374 8.300 0.208 0.242 0.471 556 V N -1.043 118.608 119.914 -0.437 0.000 2.427 556 V HA -0.477 nan 4.120 nan 0.000 0.248 556 V C 2.182 178.098 176.094 -0.296 0.000 1.051 556 V CA 4.169 66.185 62.300 -0.473 0.000 1.048 556 V CB -1.167 30.560 31.823 -0.161 0.000 0.666 556 V HN -0.358 7.771 8.190 -0.102 0.000 0.456 557 E N -0.987 119.113 120.200 -0.167 0.000 2.077 557 E HA -0.335 nan 4.350 nan 0.000 0.193 557 E C 2.645 179.155 176.600 -0.151 0.000 0.989 557 E CA 2.786 59.119 56.400 -0.111 0.000 0.800 557 E CB -1.112 28.556 29.700 -0.053 0.000 0.746 557 E HN 0.291 8.581 8.360 -0.117 0.000 0.452 558 K N -0.703 119.582 120.400 -0.190 0.000 2.211 558 K HA -0.233 nan 4.320 nan 0.000 0.203 558 K C 2.564 178.994 176.600 -0.283 0.000 1.050 558 K CA 2.883 59.055 56.287 -0.193 0.000 0.945 558 K CB -0.105 32.308 32.500 -0.146 0.000 0.732 558 K HN 0.080 8.098 8.250 -0.194 0.116 0.451 559 L N 0.920 121.879 121.223 -0.440 0.000 2.109 559 L HA -0.222 nan 4.340 nan 0.000 0.207 559 L C 1.665 178.284 176.870 -0.418 0.000 1.086 559 L CA 3.030 57.552 54.840 -0.530 0.000 0.760 559 L CB -0.106 41.471 42.059 -0.803 0.000 0.910 559 L HN -0.131 7.687 8.230 -0.530 0.093 0.437 560 I N -1.438 119.006 120.570 -0.210 0.000 2.315 560 I HA -0.476 nan 4.170 nan 0.000 0.248 560 I C 2.420 178.486 176.117 -0.086 0.000 1.117 560 I CA 2.341 63.615 61.300 -0.044 0.000 1.404 560 I CB -1.549 36.468 38.000 0.028 0.000 1.071 560 I HN 0.192 8.276 8.210 -0.211 0.000 0.419 561 Q N 0.378 120.106 119.800 -0.120 0.000 1.993 561 Q HA -0.324 nan 4.340 nan 0.000 0.202 561 Q C 1.665 177.589 176.000 -0.126 0.000 0.984 561 Q CA 3.056 58.796 55.803 -0.104 0.000 0.837 561 Q CB -0.009 28.668 28.738 -0.102 0.000 0.902 561 Q HN 0.050 8.232 8.270 -0.137 0.006 0.423 562 E N -2.251 117.842 120.200 -0.178 0.000 2.046 562 E HA -0.132 nan 4.350 nan 0.000 0.190 562 E C 1.729 178.205 176.600 -0.207 0.000 0.982 562 E CA 1.812 58.106 56.400 -0.178 0.000 0.800 562 E CB 0.135 29.724 29.700 -0.185 0.000 0.756 562 E HN -0.251 7.880 8.360 -0.207 0.105 0.449 563 Q N -3.028 116.579 119.800 -0.322 0.000 1.961 563 Q HA -0.079 nan 4.340 nan 0.000 0.197 563 Q C 1.793 177.709 176.000 -0.139 0.000 0.977 563 Q CA 0.324 55.921 55.803 -0.343 0.000 0.830 563 Q CB 0.199 28.438 28.738 -0.830 0.000 0.896 563 Q HN -0.116 7.912 8.270 -0.403 0.000 0.437 564 G N 0.164 108.923 108.800 -0.068 0.000 2.690 564 G HA2 -0.413 nan 3.960 nan 0.000 0.362 564 G HA3 -0.413 nan 3.960 nan 0.000 0.362 564 G C 1.191 176.220 174.900 0.215 0.000 1.132 564 G CA 1.553 46.736 45.100 0.137 0.000 0.922 564 G HN -0.318 7.874 8.290 -0.163 0.000 0.595 565 N N 3.652 122.429 118.700 0.129 0.000 2.659 565 N HA -0.388 nan 4.740 nan 0.000 0.194 565 N C -0.394 175.227 175.510 0.185 0.000 1.140 565 N CA 0.217 53.343 53.050 0.128 0.000 0.936 565 N CB -0.509 38.022 38.487 0.073 0.000 0.970 565 N HN 0.351 8.778 8.380 0.078 0.000 0.449 566 H N 2.329 121.454 119.070 0.092 0.000 2.955 566 H HA -0.063 nan 4.556 nan 0.000 0.290 566 H C -0.309 175.100 175.328 0.135 0.000 1.047 566 H CA -1.345 54.756 56.048 0.088 0.000 1.484 566 H CB -0.019 29.771 29.762 0.046 0.000 1.501 566 H HN -0.471 7.872 8.280 0.301 0.117 0.521 567 A N 7.857 130.771 122.820 0.157 0.000 2.358 567 A HA -0.050 nan 4.320 nan 0.000 0.232 567 A C -0.499 177.063 177.584 -0.037 0.000 1.498 567 A CA 0.997 53.067 52.037 0.056 0.000 1.400 567 A CB -1.087 17.963 19.000 0.083 0.000 0.852 567 A HN 0.534 8.825 8.150 0.235 0.000 0.605 568 K N -4.145 116.160 120.400 -0.159 0.000 2.614 568 K HA 0.183 nan 4.320 nan 0.000 0.198 568 K C -1.686 174.919 176.600 0.008 0.000 1.338 568 K CA -0.148 56.068 56.287 -0.119 0.000 1.066 568 K CB 2.321 34.691 32.500 -0.216 0.000 1.119 568 K HN 0.149 8.175 8.250 -0.180 0.116 0.609 569 F N 1.049 120.925 119.950 -0.124 0.000 2.532 569 F HA 0.482 nan 4.527 nan 0.000 0.321 569 F C -1.870 173.944 175.800 0.023 0.000 1.089 569 F CA -1.720 56.272 58.000 -0.013 0.000 0.926 569 F CB 2.849 41.853 39.000 0.007 0.000 1.168 569 F HN -0.466 7.897 8.300 0.104 0.000 0.459 570 Q N 8.286 127.695 119.800 -0.652 0.000 2.414 570 Q HA 0.363 nan 4.340 nan 0.000 0.256 570 Q C -1.417 174.142 176.000 -0.734 0.000 0.974 570 Q CA -1.089 54.373 55.803 -0.569 0.000 0.723 570 Q CB 2.893 31.485 28.738 -0.243 0.000 1.281 570 Q HN 0.822 8.655 8.270 -0.567 0.097 0.470 571 K N 4.230 124.141 120.400 -0.815 0.000 2.591 571 K HA -0.248 nan 4.320 nan 0.000 0.280 571 K C -0.002 176.492 176.600 -0.177 0.000 0.964 571 K CA 0.650 56.715 56.287 -0.371 0.000 1.014 571 K CB -0.440 31.978 32.500 -0.137 0.000 0.877 571 K HN 0.216 7.921 8.250 -0.908 0.000 0.502 572 S N 1.995 117.652 115.700 -0.072 0.000 2.614 572 S HA -0.117 nan 4.470 nan 0.000 0.251 572 S C 0.856 175.427 174.600 -0.049 0.000 1.388 572 S CA 0.863 59.035 58.200 -0.048 0.000 0.973 572 S CB 0.597 63.796 63.200 -0.002 0.000 0.926 572 S HN 0.004 8.306 8.310 -0.014 0.000 0.580 573 K N 1.340 121.715 120.400 -0.043 0.000 2.180 573 K HA 0.052 nan 4.320 nan 0.000 0.250 573 K C 0.014 176.601 176.600 -0.022 0.000 1.135 573 K CA -0.706 55.560 56.287 -0.036 0.000 1.037 573 K CB -2.061 30.416 32.500 -0.039 0.000 1.624 573 K HN 0.451 8.675 8.250 -0.043 0.000 0.382 574 Q N -2.300 117.490 119.800 -0.016 0.000 2.177 574 Q HA -0.499 nan 4.340 nan 0.000 0.174 574 Q C -0.737 175.262 176.000 -0.002 0.000 0.609 574 Q CA 2.317 58.116 55.803 -0.008 0.000 1.453 574 Q CB -0.763 27.970 28.738 -0.008 0.000 1.591 574 Q HN 0.060 8.268 8.270 -0.020 0.050 0.818 575 L N 0.295 121.518 121.223 -0.001 0.000 2.382 575 L HA -0.147 nan 4.340 nan 0.000 0.259 575 L C -0.846 176.033 176.870 0.015 0.000 1.291 575 L CA -0.259 54.584 54.840 0.006 0.000 1.176 575 L CB -1.651 40.411 42.059 0.005 0.000 1.373 575 L HN -0.385 7.737 8.230 -0.006 0.105 0.426 576 K N 1.528 121.935 120.400 0.013 0.000 2.007 576 K HA -0.292 nan 4.320 nan 0.000 0.206 576 K C 1.337 177.947 176.600 0.016 0.000 1.047 576 K CA 2.427 58.722 56.287 0.015 0.000 0.937 576 K CB -0.547 31.959 32.500 0.011 0.000 0.718 576 K HN 0.149 8.331 8.250 0.009 0.073 0.438 577 D N -0.096 120.311 120.400 0.013 0.000 2.200 577 D HA -0.295 nan 4.640 nan 0.000 0.192 577 D C 1.904 178.214 176.300 0.016 0.000 1.008 577 D CA 2.711 56.718 54.000 0.013 0.000 0.872 577 D CB -0.487 40.319 40.800 0.010 0.000 0.923 577 D HN 0.182 8.559 8.370 0.011 0.000 0.447 578 K N -4.109 116.302 120.400 0.018 0.000 2.334 578 K HA 0.086 nan 4.320 nan 0.000 0.195 578 K C -1.484 175.132 176.600 0.027 0.000 1.045 578 K CA -0.124 56.176 56.287 0.022 0.000 1.004 578 K CB 1.062 33.574 32.500 0.021 0.000 0.837 578 K HN -0.366 7.894 8.250 0.015 0.000 0.510 579 T N -1.047 113.526 114.554 0.030 0.000 2.183 579 T HA -0.416 nan 4.350 nan 0.000 0.552 579 T C -1.673 173.071 174.700 0.073 0.000 0.866 579 T CA 0.463 62.590 62.100 0.045 0.000 2.936 579 T CB -2.804 66.084 68.868 0.033 0.000 1.770 579 T HN -0.415 7.641 8.240 0.026 0.200 0.456 580 E N 1.931 122.195 120.200 0.107 0.000 2.429 580 E HA 1.067 nan 4.350 nan 0.000 0.276 580 E C -2.530 174.203 176.600 0.222 0.000 0.953 580 E CA -2.390 54.083 56.400 0.121 0.000 0.787 580 E CB 4.263 33.975 29.700 0.020 0.000 1.307 580 E HN -0.496 7.922 8.360 0.097 0.000 0.458 581 F N -6.122 113.863 119.950 0.058 0.000 2.641 581 F HA 0.660 nan 4.527 nan 0.000 0.308 581 F C -1.917 173.906 175.800 0.039 0.000 1.105 581 F CA -2.048 55.966 58.000 0.023 0.000 0.964 581 F CB 2.540 41.620 39.000 0.134 0.000 1.294 581 F HN -0.328 7.839 8.300 -0.221 0.000 0.442 582 C N 1.797 121.072 119.300 -0.041 0.000 2.411 582 C HA 0.928 nan 4.460 nan 0.000 0.330 582 C C -1.053 173.918 174.990 -0.031 0.000 1.224 582 C CA -1.555 57.382 59.018 -0.135 0.000 1.770 582 C CB 1.156 28.794 27.740 -0.170 0.000 2.297 582 C HN 0.509 8.680 8.230 -0.097 0.000 0.507 583 I N -2.828 117.757 120.570 0.025 0.000 2.892 583 I HA 0.822 nan 4.170 nan 0.000 0.306 583 I C -1.361 174.754 176.117 -0.003 0.000 1.078 583 I CA -2.683 58.673 61.300 0.094 0.000 1.032 583 I CB 3.222 41.380 38.000 0.262 0.000 1.229 583 I HN -0.082 8.080 8.210 -0.079 0.000 0.435 584 L N 3.355 124.623 121.223 0.076 0.000 2.466 584 L HA 0.047 nan 4.340 nan 0.000 0.248 584 L C -0.943 176.080 176.870 0.256 0.000 1.240 584 L CA -0.965 53.939 54.840 0.107 0.000 1.180 584 L CB -1.705 40.402 42.059 0.080 0.000 1.413 584 L HN 0.131 8.428 8.230 0.112 0.000 0.406 585 H N 1.680 120.860 119.070 0.183 0.000 2.732 585 H HA -0.007 nan 4.556 nan 0.000 0.351 585 H C 0.658 176.087 175.328 0.167 0.000 1.090 585 H CA -0.909 55.300 56.048 0.268 0.000 1.431 585 H CB 0.695 30.659 29.762 0.336 0.000 1.447 585 H HN -0.271 8.054 8.280 0.176 0.060 0.582 586 Y N 1.232 121.677 120.300 0.242 0.000 2.081 586 Y HA -0.414 nan 4.550 nan 0.000 0.280 586 Y C 0.615 176.537 175.900 0.037 0.000 1.163 586 Y CA 2.286 60.445 58.100 0.097 0.000 1.135 586 Y CB -1.142 37.337 38.460 0.032 0.000 0.970 586 Y HN -0.378 8.473 8.280 0.755 -0.118 0.498 587 A N -0.643 121.649 122.820 -0.881 0.000 3.168 587 A HA 0.019 nan 4.320 nan 0.000 0.260 587 A C -0.844 176.574 177.584 -0.276 0.000 1.598 587 A CA -0.508 51.106 52.037 -0.705 0.000 1.285 587 A CB -2.085 16.107 19.000 -1.346 0.000 1.149 587 A HN -0.189 6.953 8.150 -1.680 0.000 0.630 588 G N -0.255 108.497 108.800 -0.079 0.000 2.895 588 G HA2 -0.196 nan 3.960 nan 0.000 0.686 588 G HA3 -0.196 nan 3.960 nan 0.000 0.686 588 G C -1.345 173.591 174.900 0.059 0.000 1.108 588 G CA -0.694 44.410 45.100 0.005 0.000 0.761 588 G HN -0.521 7.637 8.290 -0.074 0.088 0.611 589 K N 2.482 122.880 120.400 -0.003 0.000 2.453 589 K HA -0.103 nan 4.320 nan 0.000 0.280 589 K C -0.329 176.195 176.600 -0.127 0.000 1.045 589 K CA 0.565 56.819 56.287 -0.055 0.000 1.059 589 K CB 0.355 32.814 32.500 -0.069 0.000 0.901 589 K HN 0.032 8.273 8.250 -0.014 0.000 0.475 590 V N 8.125 127.893 119.914 -0.243 0.000 2.483 590 V HA 0.193 nan 4.120 nan 0.000 0.295 590 V C -0.735 174.981 176.094 -0.629 0.000 1.035 590 V CA -0.865 61.166 62.300 -0.449 0.000 0.896 590 V CB 2.234 33.684 31.823 -0.622 0.000 0.986 590 V HN -0.281 7.768 8.190 -0.235 0.000 0.447 591 T N 6.666 120.903 114.554 -0.529 0.000 2.771 591 T HA 0.297 nan 4.350 nan 0.000 0.291 591 T C -0.935 173.402 174.700 -0.604 0.000 0.954 591 T CA 0.075 61.892 62.100 -0.471 0.000 1.045 591 T CB 0.050 68.776 68.868 -0.237 0.000 0.917 591 T HN 0.145 8.140 8.240 -0.408 0.000 0.484 592 Y N 6.231 126.331 120.300 -0.334 0.000 2.387 592 Y HA 0.118 nan 4.550 nan 0.000 0.336 592 Y C -1.636 174.197 175.900 -0.113 0.000 1.067 592 Y CA -1.413 56.576 58.100 -0.185 0.000 1.114 592 Y CB 2.611 40.867 38.460 -0.340 0.000 1.208 592 Y HN 0.255 8.200 8.280 -0.558 0.000 0.458 593 N N 1.417 120.258 118.700 0.234 0.000 2.361 593 N HA 0.404 nan 4.740 nan 0.000 0.302 593 N C -0.818 174.718 175.510 0.044 0.000 1.074 593 N CA -1.425 51.698 53.050 0.121 0.000 0.850 593 N CB 3.232 41.785 38.487 0.111 0.000 1.228 593 N HN 0.299 8.784 8.380 0.360 0.111 0.491 594 A N 3.370 126.053 122.820 -0.230 0.000 2.169 594 A HA 0.199 nan 4.320 nan 0.000 0.210 594 A C -0.417 176.938 177.584 -0.380 0.000 1.168 594 A CA -0.000 51.565 52.037 -0.786 0.000 0.813 594 A CB 0.942 19.711 19.000 -0.384 0.000 0.861 594 A HN 0.764 8.863 8.150 -0.085 0.000 0.481 595 S N -0.928 114.738 115.700 -0.056 0.000 2.626 595 S HA -0.315 nan 4.470 nan 0.000 0.303 595 S C 0.202 174.909 174.600 0.178 0.000 1.256 595 S CA 1.290 59.524 58.200 0.058 0.000 1.069 595 S CB -0.005 63.236 63.200 0.068 0.000 0.807 595 S HN -0.718 7.728 8.310 -0.028 -0.153 0.500 596 A N 2.836 125.758 122.820 0.169 0.000 3.384 596 A HA -0.268 nan 4.320 nan 0.000 0.260 596 A C 1.238 178.985 177.584 0.272 0.000 1.168 596 A CA 1.470 53.630 52.037 0.205 0.000 1.253 596 A CB -1.504 17.618 19.000 0.204 0.000 1.122 596 A HN -0.180 8.417 8.150 0.111 -0.381 0.934 597 W N -1.561 119.726 121.300 -0.021 0.000 2.402 597 W HA -0.252 nan 4.660 nan 0.000 0.286 597 W C 1.303 177.658 176.519 -0.272 0.000 1.221 597 W CA 3.121 60.385 57.345 -0.135 0.000 1.257 597 W CB -0.427 28.910 29.460 -0.205 0.000 1.120 597 W HN -0.411 8.069 8.180 0.343 -0.093 0.551 598 L N -1.654 119.584 121.223 0.025 0.000 1.971 598 L HA -0.569 nan 4.340 nan 0.000 0.215 598 L C 2.051 178.870 176.870 -0.085 0.000 1.072 598 L CA 3.760 58.557 54.840 -0.071 0.000 0.758 598 L CB -0.968 41.085 42.059 -0.011 0.000 0.889 598 L HN -0.380 8.177 8.230 0.078 -0.280 0.433 599 T N -6.196 108.355 114.554 -0.004 0.000 3.035 599 T HA -0.259 nan 4.350 nan 0.000 0.268 599 T C 2.365 177.059 174.700 -0.010 0.000 1.109 599 T CA 2.841 64.951 62.100 0.017 0.000 1.119 599 T CB -1.000 67.929 68.868 0.103 0.000 0.900 599 T HN -0.018 8.246 8.240 0.040 0.000 0.503 600 K N 2.422 122.801 120.400 -0.035 0.000 2.025 600 K HA -0.329 nan 4.320 nan 0.000 0.207 600 K C 1.787 178.247 176.600 -0.234 0.000 1.049 600 K CA 3.449 59.683 56.287 -0.089 0.000 0.933 600 K CB -0.073 32.390 32.500 -0.062 0.000 0.714 600 K HN -0.210 7.977 8.250 0.011 0.070 0.438 601 N N -2.958 115.475 118.700 -0.445 0.000 2.515 601 N HA -0.058 nan 4.740 nan 0.000 0.185 601 N C 1.101 176.441 175.510 -0.282 0.000 1.109 601 N CA 1.822 54.566 53.050 -0.510 0.000 0.903 601 N CB 0.575 38.614 38.487 -0.746 0.000 0.969 601 N HN -0.149 7.971 8.380 -0.433 0.000 0.450 602 M N -0.572 118.911 119.600 -0.195 0.000 2.557 602 M HA -0.008 nan 4.480 nan 0.000 0.262 602 M C -0.547 175.726 176.300 -0.045 0.000 1.168 602 M CA 0.106 55.333 55.300 -0.122 0.000 1.194 602 M CB 1.160 33.703 32.600 -0.095 0.000 1.311 602 M HN -0.387 7.646 8.290 -0.184 0.146 0.489 603 D N -0.579 119.805 120.400 -0.026 0.000 3.357 603 D HA -0.141 nan 4.640 nan 0.000 0.238 603 D C -2.534 173.779 176.300 0.023 0.000 1.126 603 D CA 0.614 54.614 54.000 -0.001 0.000 0.984 603 D CB -0.075 40.718 40.800 -0.011 0.000 0.925 603 D HN -0.188 8.048 8.370 -0.037 0.112 0.414 604 P HA 0.376 nan 4.420 nan 0.000 0.290 604 P C -2.088 175.241 177.300 0.048 0.000 1.283 604 P CA -1.337 61.798 63.100 0.058 0.000 0.869 604 P CB 1.327 33.076 31.700 0.082 0.000 1.100 605 L N -0.233 121.022 121.223 0.053 0.000 2.568 605 L HA 0.266 nan 4.340 nan 0.000 0.257 605 L C -1.687 175.203 176.870 0.034 0.000 1.024 605 L CA -0.917 53.948 54.840 0.042 0.000 0.854 605 L CB 4.285 46.394 42.059 0.082 0.000 1.460 605 L HN 0.057 8.322 8.230 0.059 0.000 0.409 606 N N 1.962 120.664 118.700 0.003 0.000 2.399 606 N HA -0.147 nan 4.740 nan 0.000 0.284 606 N C 0.910 176.415 175.510 -0.008 0.000 1.283 606 N CA 0.843 53.884 53.050 -0.015 0.000 0.972 606 N CB 0.124 38.575 38.487 -0.060 0.000 1.328 606 N HN 0.183 8.555 8.380 -0.013 0.000 0.486 607 D N 5.913 126.321 120.400 0.014 0.000 2.182 607 D HA -0.346 nan 4.640 nan 0.000 0.201 607 D C 1.166 177.468 176.300 0.003 0.000 0.986 607 D CA 3.526 57.540 54.000 0.024 0.000 0.847 607 D CB -0.426 40.395 40.800 0.035 0.000 0.942 607 D HN 0.008 8.391 8.370 0.021 0.000 0.467 608 N N -0.324 118.368 118.700 -0.013 0.000 2.018 608 N HA -0.364 nan 4.740 nan 0.000 0.196 608 N C 2.066 177.545 175.510 -0.051 0.000 1.043 608 N CA 3.078 56.113 53.050 -0.025 0.000 0.856 608 N CB -0.271 38.199 38.487 -0.029 0.000 1.042 608 N HN -0.431 7.937 8.380 -0.009 0.006 0.423 609 V N -0.365 119.493 119.914 -0.093 0.000 2.407 609 V HA -0.377 nan 4.120 nan 0.000 0.248 609 V C 1.507 177.503 176.094 -0.164 0.000 1.055 609 V CA 3.689 65.905 62.300 -0.141 0.000 1.049 609 V CB -0.500 31.167 31.823 -0.261 0.000 0.662 609 V HN -0.098 8.340 8.190 -0.096 -0.305 0.455 610 T N 2.070 116.538 114.554 -0.143 0.000 2.652 610 T HA -0.381 nan 4.350 nan 0.000 0.267 610 T C 2.111 176.780 174.700 -0.053 0.000 1.039 610 T CA 5.411 67.433 62.100 -0.129 0.000 1.153 610 T CB -0.687 68.216 68.868 0.059 0.000 0.863 610 T HN -0.385 7.781 8.240 -0.098 0.015 0.428 611 S N 2.177 117.871 115.700 -0.010 0.000 2.442 611 S HA -0.240 nan 4.470 nan 0.000 0.236 611 S C 1.685 176.279 174.600 -0.010 0.000 1.007 611 S CA 3.778 61.984 58.200 0.010 0.000 0.965 611 S CB -0.325 62.883 63.200 0.014 0.000 0.773 611 S HN 0.036 8.341 8.310 -0.008 0.000 0.504 612 L N 1.008 122.207 121.223 -0.040 0.000 2.179 612 L HA -0.153 nan 4.340 nan 0.000 0.208 612 L C 0.811 177.630 176.870 -0.084 0.000 1.096 612 L CA 2.446 57.260 54.840 -0.043 0.000 0.779 612 L CB 0.277 42.318 42.059 -0.030 0.000 0.922 612 L HN -0.689 7.502 8.230 -0.049 0.010 0.443 613 L N -1.448 119.660 121.223 -0.191 0.000 2.191 613 L HA -0.432 nan 4.340 nan 0.000 0.212 613 L C 1.639 178.441 176.870 -0.113 0.000 1.103 613 L CA 3.411 58.049 54.840 -0.338 0.000 0.769 613 L CB -0.424 41.052 42.059 -0.971 0.000 0.908 613 L HN 0.059 8.073 8.230 -0.217 0.085 0.438 614 N N -1.266 117.435 118.700 0.002 0.000 2.106 614 N HA -0.294 nan 4.740 nan 0.000 0.188 614 N C 2.154 177.695 175.510 0.052 0.000 1.029 614 N CA 3.155 56.261 53.050 0.093 0.000 0.848 614 N CB 0.229 38.767 38.487 0.085 0.000 1.007 614 N HN -0.062 8.182 8.380 -0.034 0.116 0.423 615 Q N 0.569 120.380 119.800 0.018 0.000 2.642 615 Q HA 0.010 nan 4.340 nan 0.000 0.319 615 Q C -0.876 175.128 176.000 0.005 0.000 1.030 615 Q CA -0.406 55.406 55.803 0.015 0.000 0.943 615 Q CB -0.675 28.069 28.738 0.010 0.000 1.323 615 Q HN -0.514 7.668 8.270 0.003 0.090 0.419 616 S N -1.187 114.518 115.700 0.008 0.000 2.681 616 S HA 0.336 nan 4.470 nan 0.000 0.270 616 S C 0.255 174.860 174.600 0.009 0.000 1.209 616 S CA -0.958 57.240 58.200 -0.003 0.000 0.988 616 S CB 2.288 65.481 63.200 -0.012 0.000 1.006 616 S HN -0.467 7.797 8.310 0.027 0.062 0.558 617 S N -0.082 115.619 115.700 0.001 0.000 2.348 617 S HA -0.127 nan 4.470 nan 0.000 0.219 617 S C 0.488 175.096 174.600 0.013 0.000 1.033 617 S CA 1.652 59.856 58.200 0.005 0.000 0.974 617 S CB 0.562 63.761 63.200 -0.002 0.000 0.868 617 S HN 0.454 8.758 8.310 -0.010 0.000 0.459 618 D N 2.778 123.183 120.400 0.007 0.000 2.389 618 D HA 0.070 nan 4.640 nan 0.000 0.247 618 D C 0.742 177.074 176.300 0.053 0.000 1.128 618 D CA -0.175 53.833 54.000 0.014 0.000 0.884 618 D CB 1.846 42.635 40.800 -0.019 0.000 1.194 618 D HN -0.353 8.016 8.370 -0.002 0.000 0.441 619 K N 6.735 127.182 120.400 0.079 0.000 2.059 619 K HA -0.365 nan 4.320 nan 0.000 0.212 619 K C 2.121 178.747 176.600 0.043 0.000 1.050 619 K CA 3.104 59.447 56.287 0.093 0.000 0.927 619 K CB -0.004 32.577 32.500 0.136 0.000 0.714 619 K HN 0.341 8.635 8.250 0.072 0.000 0.447 620 F N -2.018 117.751 119.950 -0.302 0.000 2.010 620 F HA -0.413 nan 4.527 nan 0.000 0.296 620 F C 2.315 177.966 175.800 -0.247 0.000 1.146 620 F CA 3.710 61.392 58.000 -0.529 0.000 1.181 620 F CB -1.100 37.556 39.000 -0.573 0.000 0.965 620 F HN -0.028 8.826 8.300 0.387 -0.322 0.480 621 V N -1.142 118.838 119.914 0.110 0.000 2.332 621 V HA -0.492 nan 4.120 nan 0.000 0.248 621 V C 1.976 178.206 176.094 0.226 0.000 1.055 621 V CA 3.960 66.378 62.300 0.197 0.000 1.038 621 V CB -1.478 30.409 31.823 0.106 0.000 0.651 621 V HN -0.182 8.070 8.190 0.105 0.000 0.450 622 A N -1.977 120.915 122.820 0.121 0.000 2.015 622 A HA -0.307 nan 4.320 nan 0.000 0.219 622 A C 2.162 179.810 177.584 0.106 0.000 1.163 622 A CA 3.156 55.260 52.037 0.111 0.000 0.646 622 A CB -0.674 18.369 19.000 0.071 0.000 0.806 622 A HN 0.514 8.716 8.150 0.086 0.000 0.448 623 D N -0.350 120.097 120.400 0.078 0.000 2.137 623 D HA -0.111 nan 4.640 nan 0.000 0.202 623 D C 2.018 178.371 176.300 0.088 0.000 0.970 623 D CA 2.627 56.690 54.000 0.104 0.000 0.837 623 D CB -0.045 40.891 40.800 0.226 0.000 0.981 623 D HN -0.255 8.045 8.370 0.038 0.093 0.475 624 L N -2.632 118.614 121.223 0.039 0.000 2.079 624 L HA -0.319 nan 4.340 nan 0.000 0.210 624 L C 1.824 178.591 176.870 -0.173 0.000 1.081 624 L CA 2.959 57.757 54.840 -0.070 0.000 0.752 624 L CB -0.035 41.977 42.059 -0.078 0.000 0.896 624 L HN 0.245 8.368 8.230 -0.001 0.106 0.433 625 W N -4.936 116.359 121.300 -0.008 0.000 3.008 625 W HA 0.024 nan 4.660 nan 0.000 0.355 625 W C 0.222 176.734 176.519 -0.012 0.000 1.095 625 W CA 0.059 57.399 57.345 -0.008 0.000 1.738 625 W CB 0.334 29.795 29.460 0.002 0.000 1.091 625 W HN -0.105 8.236 8.180 0.298 0.017 0.574 626 K N 0.107 120.594 120.400 0.145 0.000 2.281 626 K HA -0.286 nan 4.320 nan 0.000 0.203 626 K C 0.834 177.460 176.600 0.042 0.000 1.046 626 K CA 2.398 58.737 56.287 0.087 0.000 0.938 626 K CB -0.729 31.805 32.500 0.057 0.000 0.737 626 K HN -0.812 7.514 8.250 0.127 0.000 0.458 627 D N -1.237 119.164 120.400 0.003 0.000 2.848 627 D HA 0.001 nan 4.640 nan 0.000 0.232 627 D C -0.076 176.199 176.300 -0.041 0.000 1.107 627 D CA -0.542 53.426 54.000 -0.053 0.000 1.020 627 D CB -2.166 38.568 40.800 -0.109 0.000 1.148 627 D HN -0.004 8.332 8.370 -0.007 0.029 0.453 628 V N 0.844 120.767 119.914 0.014 0.000 2.488 628 V HA -0.322 nan 4.120 nan 0.000 0.246 628 V C 1.254 177.316 176.094 -0.053 0.000 1.046 628 V CA 3.518 65.840 62.300 0.038 0.000 1.053 628 V CB 0.039 31.914 31.823 0.086 0.000 0.679 628 V HN -0.594 7.534 8.190 0.023 0.076 0.458 629 D N -0.783 119.554 120.400 -0.105 0.000 2.244 629 D HA -0.362 nan 4.640 nan 0.000 0.197 629 D C 1.178 177.227 176.300 -0.417 0.000 1.006 629 D CA 3.219 57.110 54.000 -0.182 0.000 0.888 629 D CB -0.339 40.344 40.800 -0.195 0.000 0.912 629 D HN 0.274 8.601 8.370 -0.071 0.000 0.452 630 R N -2.766 117.390 120.500 -0.574 0.000 2.236 630 R HA -0.067 nan 4.340 nan 0.000 0.208 630 R C 0.218 176.401 176.300 -0.194 0.000 1.036 630 R CA 0.794 56.477 56.100 -0.694 0.000 1.001 630 R CB 0.558 30.517 30.300 -0.568 0.000 0.896 630 R HN -0.339 7.627 8.270 -0.398 0.065 0.464 631 I N -0.283 120.239 120.570 -0.080 0.000 2.575 631 I HA -0.070 nan 4.170 nan 0.000 0.285 631 I C -0.827 175.326 176.117 0.061 0.000 1.085 631 I CA 0.025 61.336 61.300 0.018 0.000 1.403 631 I CB 0.371 38.402 38.000 0.051 0.000 1.409 631 I HN -0.489 7.610 8.210 -0.093 0.055 0.557 632 V N 5.697 125.661 119.914 0.083 0.000 2.459 632 V HA 0.254 nan 4.120 nan 0.000 0.295 632 V C -0.261 175.883 176.094 0.084 0.000 1.029 632 V CA -0.863 61.502 62.300 0.108 0.000 0.874 632 V CB 1.230 33.135 31.823 0.137 0.000 0.985 632 V HN 0.400 8.634 8.190 0.075 0.000 0.438 633 G N 4.260 113.106 108.800 0.077 0.000 2.723 633 G HA2 0.433 nan 3.960 nan 0.000 0.295 633 G HA3 0.433 nan 3.960 nan 0.000 0.295 633 G C -1.996 172.936 174.900 0.053 0.000 1.464 633 G CA 0.413 45.548 45.100 0.058 0.000 1.012 633 G HN 0.143 8.485 8.290 0.086 0.000 0.522 657 R N 2.670 123.420 120.500 0.418 0.000 2.485 657 R HA -0.074 nan 4.340 nan 0.000 0.304 657 R C -0.569 175.925 176.300 0.322 0.000 0.934 657 R CA 0.180 56.540 56.100 0.433 0.000 1.102 657 R CB 0.255 30.701 30.300 0.242 0.000 0.906 657 R HN 0.165 8.340 8.270 -0.158 0.000 0.407 658 T N -1.104 113.515 114.554 0.107 0.000 2.716 658 T HA -0.130 nan 4.350 nan 0.000 0.335 658 T C 1.610 176.335 174.700 0.042 0.000 1.081 658 T CA 0.201 62.270 62.100 -0.051 0.000 1.073 658 T CB 0.697 69.417 68.868 -0.247 0.000 0.993 658 T HN -0.195 8.088 8.240 0.072 0.000 0.547 659 V N 1.929 121.842 119.914 -0.000 0.000 2.229 659 V HA -0.237 nan 4.120 nan 0.000 0.243 659 V C 1.864 178.047 176.094 0.149 0.000 1.042 659 V CA 4.263 66.599 62.300 0.060 0.000 1.000 659 V CB -0.659 31.180 31.823 0.026 0.000 0.637 659 V HN -0.031 8.113 8.190 -0.077 0.000 0.446 660 G N -1.810 107.087 108.800 0.161 0.000 2.469 660 G HA2 -0.424 nan 3.960 nan 0.000 0.219 660 G HA3 -0.424 nan 3.960 nan 0.000 0.219 660 G C 1.213 176.292 174.900 0.298 0.000 1.150 660 G CA 2.367 47.673 45.100 0.344 0.000 0.763 660 G HN -0.011 8.586 8.290 0.042 -0.282 0.561 661 Q N 1.716 121.614 119.800 0.164 0.000 2.119 661 Q HA -0.176 nan 4.340 nan 0.000 0.201 661 Q C 2.003 178.086 176.000 0.139 0.000 0.972 661 Q CA 2.572 58.460 55.803 0.142 0.000 0.847 661 Q CB -0.305 28.505 28.738 0.120 0.000 0.903 661 Q HN -0.459 7.966 8.270 0.095 -0.098 0.433 662 L N 0.141 121.455 121.223 0.151 0.000 2.131 662 L HA -0.320 nan 4.340 nan 0.000 0.210 662 L C 1.676 178.647 176.870 0.168 0.000 1.092 662 L CA 2.735 57.658 54.840 0.139 0.000 0.759 662 L CB -0.429 41.711 42.059 0.134 0.000 0.903 662 L HN -0.741 7.577 8.230 0.148 0.000 0.435 663 Y N -0.428 119.922 120.300 0.084 0.000 2.207 663 Y HA -0.542 nan 4.550 nan 0.000 0.287 663 Y C 1.516 177.460 175.900 0.073 0.000 1.156 663 Y CA 3.077 61.234 58.100 0.094 0.000 1.182 663 Y CB -0.361 38.161 38.460 0.104 0.000 0.979 663 Y HN 0.383 8.678 8.280 0.322 0.178 0.521 664 K N -0.734 119.626 120.400 -0.067 0.000 2.057 664 K HA -0.417 nan 4.320 nan 0.000 0.206 664 K C 2.269 178.821 176.600 -0.080 0.000 1.050 664 K CA 3.349 59.543 56.287 -0.154 0.000 0.935 664 K CB -0.248 32.238 32.500 -0.024 0.000 0.715 664 K HN -0.064 8.047 8.250 0.102 0.201 0.439 665 E N -1.581 118.617 120.200 -0.002 0.000 2.501 665 E HA -0.282 nan 4.350 nan 0.000 0.203 665 E C 1.200 177.803 176.600 0.005 0.000 1.072 665 E CA 2.624 59.030 56.400 0.010 0.000 0.885 665 E CB -0.794 28.929 29.700 0.038 0.000 0.813 665 E HN 0.109 8.489 8.360 0.034 0.000 0.556 666 Q N -1.852 117.951 119.800 0.005 0.000 2.353 666 Q HA 0.035 nan 4.340 nan 0.000 0.240 666 Q C 1.814 177.829 176.000 0.024 0.000 0.868 666 Q CA 1.175 57.004 55.803 0.044 0.000 0.944 666 Q CB 0.534 29.339 28.738 0.111 0.000 1.104 666 Q HN -0.739 7.358 8.270 0.002 0.175 0.531 667 L N 1.098 122.203 121.223 -0.196 0.000 2.083 667 L HA -0.323 nan 4.340 nan 0.000 0.209 667 L C 1.437 178.172 176.870 -0.225 0.000 1.083 667 L CA 3.684 58.300 54.840 -0.374 0.000 0.752 667 L CB 0.014 41.689 42.059 -0.640 0.000 0.899 667 L HN 0.401 8.263 8.230 -0.252 0.217 0.433 668 T N -0.295 114.170 114.554 -0.148 0.000 2.995 668 T HA -0.238 nan 4.350 nan 0.000 0.269 668 T C 2.133 176.785 174.700 -0.080 0.000 1.091 668 T CA 4.401 66.442 62.100 -0.098 0.000 1.128 668 T CB -0.651 68.180 68.868 -0.063 0.000 0.891 668 T HN -0.226 7.918 8.240 -0.145 0.010 0.492 669 K N 2.111 122.476 120.400 -0.059 0.000 2.167 669 K HA -0.131 nan 4.320 nan 0.000 0.203 669 K C 1.459 178.003 176.600 -0.093 0.000 1.052 669 K CA 2.419 58.678 56.287 -0.045 0.000 0.956 669 K CB -0.077 32.418 32.500 -0.008 0.000 0.735 669 K HN -0.511 7.561 8.250 -0.048 0.149 0.451 670 L N -0.165 120.995 121.223 -0.105 0.000 2.005 670 L HA -0.270 nan 4.340 nan 0.000 0.207 670 L C 1.746 178.362 176.870 -0.425 0.000 1.072 670 L CA 3.431 58.078 54.840 -0.321 0.000 0.744 670 L CB 0.167 41.993 42.059 -0.389 0.000 0.895 670 L HN 0.071 8.209 8.230 -0.027 0.076 0.433 671 M N -4.744 114.696 119.600 -0.266 0.000 2.337 671 M HA 0.128 nan 4.480 nan 0.000 0.256 671 M C 1.448 177.678 176.300 -0.117 0.000 1.075 671 M CA -0.047 55.130 55.300 -0.205 0.000 1.024 671 M CB 0.151 32.638 32.600 -0.189 0.000 1.429 671 M HN 0.141 8.299 8.290 -0.220 0.000 0.497 672 T N 2.002 116.500 114.554 -0.093 0.000 2.978 672 T HA -0.066 nan 4.350 nan 0.000 0.262 672 T C 1.320 176.016 174.700 -0.008 0.000 1.063 672 T CA 4.817 66.893 62.100 -0.039 0.000 1.140 672 T CB -0.344 68.507 68.868 -0.027 0.000 0.886 672 T HN -0.168 7.901 8.240 -0.107 0.107 0.470 673 T N 1.398 115.935 114.554 -0.028 0.000 2.746 673 T HA -0.239 nan 4.350 nan 0.000 0.267 673 T C 1.801 176.561 174.700 0.099 0.000 1.039 673 T CA 3.347 65.476 62.100 0.049 0.000 1.142 673 T CB -1.066 67.815 68.868 0.021 0.000 0.866 673 T HN -0.304 7.885 8.240 -0.085 0.000 0.444 674 L N -1.034 120.192 121.223 0.005 0.000 2.189 674 L HA -0.356 nan 4.340 nan 0.000 0.214 674 L C 2.449 179.367 176.870 0.080 0.000 1.097 674 L CA 2.647 57.515 54.840 0.046 0.000 0.764 674 L CB -0.525 41.513 42.059 -0.035 0.000 0.900 674 L HN -0.569 7.591 8.230 -0.117 0.000 0.436 675 R N -4.559 115.980 120.500 0.066 0.000 2.317 675 R HA 0.002 nan 4.340 nan 0.000 0.208 675 R C 0.769 177.120 176.300 0.086 0.000 0.914 675 R CA 0.819 56.971 56.100 0.087 0.000 1.060 675 R CB -0.541 29.806 30.300 0.078 0.000 1.015 675 R HN -0.474 7.662 8.270 0.039 0.157 0.498 676 N N -2.029 116.728 118.700 0.095 0.000 2.395 676 N HA 0.064 nan 4.740 nan 0.000 0.175 676 N C 0.065 175.632 175.510 0.094 0.000 1.029 676 N CA 1.571 54.681 53.050 0.100 0.000 0.897 676 N CB 1.953 40.520 38.487 0.132 0.000 0.991 676 N HN -0.400 7.882 8.380 0.098 0.158 0.441 677 T N -1.341 113.289 114.554 0.128 0.000 2.749 677 T HA 0.091 nan 4.350 nan 0.000 0.295 677 T C -0.296 174.454 174.700 0.084 0.000 0.936 677 T CA -1.209 60.957 62.100 0.110 0.000 1.060 677 T CB 0.144 69.137 68.868 0.209 0.000 0.904 677 T HN -0.181 8.151 8.240 0.153 0.000 0.500 678 N N 6.223 124.951 118.700 0.048 0.000 2.365 678 N HA -0.029 nan 4.740 nan 0.000 0.265 678 N C -0.926 174.630 175.510 0.076 0.000 1.288 678 N CA -0.545 52.532 53.050 0.045 0.000 0.869 678 N CB 0.901 39.403 38.487 0.025 0.000 1.071 678 N HN 0.280 8.673 8.380 0.021 0.000 0.480 679 P HA 0.178 nan 4.420 nan 0.000 0.275 679 P C -1.681 175.722 177.300 0.172 0.000 1.228 679 P CA -0.410 62.785 63.100 0.157 0.000 0.786 679 P CB 0.946 32.831 31.700 0.308 0.000 0.927 680 N N 0.493 119.271 118.700 0.131 0.000 2.310 680 N HA 0.227 nan 4.740 nan 0.000 0.292 680 N C -2.260 173.318 175.510 0.113 0.000 1.049 680 N CA -0.376 52.781 53.050 0.179 0.000 0.849 680 N CB 4.389 42.948 38.487 0.120 0.000 1.532 680 N HN 0.223 8.521 8.380 0.014 0.091 0.479 681 F N 0.463 120.536 119.950 0.204 0.000 2.522 681 F HA 0.638 nan 4.527 nan 0.000 0.324 681 F C -0.961 174.987 175.800 0.246 0.000 1.077 681 F CA -0.936 57.200 58.000 0.226 0.000 0.944 681 F CB 3.617 42.780 39.000 0.271 0.000 1.175 681 F HN 0.087 8.661 8.300 0.457 0.000 0.468 682 V N 2.037 122.159 119.914 0.347 0.000 2.357 682 V HA 0.426 nan 4.120 nan 0.000 0.281 682 V C -0.850 175.400 176.094 0.259 0.000 1.015 682 V CA -1.328 61.148 62.300 0.293 0.000 0.827 682 V CB -0.013 31.930 31.823 0.199 0.000 1.018 682 V HN 0.515 8.865 8.190 0.267 0.000 0.432 683 R N 4.765 125.408 120.500 0.238 0.000 3.070 683 R HA 0.369 nan 4.340 nan 0.000 0.252 683 R C -0.446 175.866 176.300 0.021 0.000 1.370 683 R CA -1.888 54.289 56.100 0.127 0.000 1.482 683 R CB -0.996 29.386 30.300 0.137 0.000 1.220 683 R HN 0.893 9.227 8.270 0.266 0.096 0.622 684 C N 4.241 123.541 119.300 0.001 0.000 2.373 684 C HA 0.371 nan 4.460 nan 0.000 0.354 684 C C -1.093 173.827 174.990 -0.117 0.000 1.249 684 C CA 0.174 59.154 59.018 -0.063 0.000 1.784 684 C CB -1.080 26.626 27.740 -0.057 0.000 2.408 684 C HN 0.110 8.354 8.230 0.023 0.000 0.542 685 I N 3.325 123.793 120.570 -0.170 0.000 2.676 685 I HA 0.410 nan 4.170 nan 0.000 0.309 685 I C -1.203 174.755 176.117 -0.265 0.000 0.990 685 I CA -2.934 58.244 61.300 -0.203 0.000 1.168 685 I CB 2.197 40.075 38.000 -0.204 0.000 1.343 685 I HN 0.880 8.865 8.210 -0.191 0.110 0.482 686 I N 4.459 124.869 120.570 -0.267 0.000 2.362 686 I HA 0.244 nan 4.170 nan 0.000 0.289 686 I C -1.728 174.197 176.117 -0.320 0.000 0.994 686 I CA -4.361 56.763 61.300 -0.293 0.000 1.158 686 I CB 0.581 38.393 38.000 -0.314 0.000 1.315 686 I HN 0.048 8.426 8.210 -0.240 -0.312 0.451 687 P HA 0.067 nan 4.420 nan 0.000 0.226 687 P C -1.926 175.265 177.300 -0.182 0.000 1.161 687 P CA 1.078 63.985 63.100 -0.321 0.000 0.804 687 P CB 0.943 32.366 31.700 -0.461 0.000 0.829 688 N N -2.485 116.117 118.700 -0.163 0.000 2.277 688 N HA 0.102 nan 4.740 nan 0.000 0.286 688 N C -1.087 174.328 175.510 -0.159 0.000 1.140 688 N CA -0.999 51.995 53.050 -0.093 0.000 0.799 688 N CB 2.379 40.845 38.487 -0.035 0.000 1.596 688 N HN -0.585 7.684 8.380 -0.186 0.000 0.473 689 H N -0.336 118.714 119.070 -0.033 0.000 2.708 689 H HA 0.024 nan 4.556 nan 0.000 0.309 689 H C -0.324 174.987 175.328 -0.028 0.000 1.084 689 H CA 1.007 57.038 56.048 -0.028 0.000 1.165 689 H CB -1.015 28.728 29.762 -0.032 0.000 1.388 689 H HN 0.306 8.674 8.280 0.147 0.000 0.553 690 E N -0.674 119.535 120.200 0.015 0.000 2.758 690 E HA 0.045 nan 4.350 nan 0.000 0.215 690 E C -1.175 175.371 176.600 -0.090 0.000 0.985 690 E CA -0.970 55.422 56.400 -0.013 0.000 1.102 690 E CB 0.342 30.039 29.700 -0.006 0.000 1.042 690 E HN -0.140 8.398 8.360 -0.026 -0.194 0.480 691 K N -4.140 116.165 120.400 -0.159 0.000 3.587 691 K HA -0.381 nan 4.320 nan 0.000 0.294 691 K C -1.017 175.174 176.600 -0.683 0.000 1.279 691 K CA 1.284 57.342 56.287 -0.382 0.000 1.004 691 K CB -1.310 31.050 32.500 -0.234 0.000 1.276 691 K HN -0.464 7.730 8.250 -0.108 -0.009 0.459 692 R N -0.523 119.760 120.500 -0.361 0.000 2.528 692 R HA 0.054 nan 4.340 nan 0.000 0.271 692 R C -0.461 175.750 176.300 -0.150 0.000 1.056 692 R CA -0.800 55.165 56.100 -0.225 0.000 1.117 692 R CB 1.074 31.326 30.300 -0.079 0.000 1.085 692 R HN -0.345 8.133 8.270 -0.241 -0.352 0.530 693 A N -0.898 121.893 122.820 -0.048 0.000 2.454 693 A HA -0.012 nan 4.320 nan 0.000 0.260 693 A C 0.852 178.512 177.584 0.127 0.000 1.106 693 A CA 0.287 52.372 52.037 0.079 0.000 0.780 693 A CB -0.133 18.910 19.000 0.072 0.000 1.044 693 A HN 0.146 8.255 8.150 -0.068 0.000 0.498 694 G N 3.841 112.779 108.800 0.230 0.000 2.347 694 G HA2 -0.488 nan 3.960 nan 0.000 0.247 694 G HA3 -0.488 nan 3.960 nan 0.000 0.247 694 G C -0.644 174.466 174.900 0.350 0.000 1.037 694 G CA 0.493 45.759 45.100 0.277 0.000 0.622 694 G HN 0.220 8.687 8.290 0.295 0.000 0.521 695 K N 2.818 123.352 120.400 0.224 0.000 2.336 695 K HA -0.083 nan 4.320 nan 0.000 0.290 695 K C -1.072 175.596 176.600 0.114 0.000 1.067 695 K CA -0.154 56.238 56.287 0.175 0.000 0.962 695 K CB -0.007 32.544 32.500 0.084 0.000 1.008 695 K HN -0.511 7.741 8.250 0.159 0.093 0.467 696 L N 5.829 127.084 121.223 0.052 0.000 2.360 696 L HA 0.324 nan 4.340 nan 0.000 0.271 696 L C -1.200 175.600 176.870 -0.117 0.000 1.057 696 L CA -0.605 54.116 54.840 -0.198 0.000 0.803 696 L CB 2.195 43.797 42.059 -0.763 0.000 1.207 696 L HN -0.299 8.039 8.230 0.180 0.000 0.445 697 D N 3.668 123.998 120.400 -0.116 0.000 2.498 697 D HA 0.239 nan 4.640 nan 0.000 0.247 697 D C -0.324 175.922 176.300 -0.090 0.000 1.070 697 D CA -1.518 52.452 54.000 -0.050 0.000 0.842 697 D CB 3.258 44.064 40.800 0.010 0.000 1.361 697 D HN 0.063 8.346 8.370 -0.144 0.000 0.484 698 A N 5.173 127.936 122.820 -0.094 0.000 2.015 698 A HA -0.101 nan 4.320 nan 0.000 0.219 698 A C 1.266 178.674 177.584 -0.293 0.000 1.163 698 A CA 2.486 54.399 52.037 -0.206 0.000 0.646 698 A CB 0.091 18.931 19.000 -0.268 0.000 0.806 698 A HN 0.649 8.775 8.150 -0.039 0.000 0.448 699 H N -3.868 115.181 119.070 -0.035 0.000 2.553 699 H HA 0.109 nan 4.556 nan 0.000 0.276 699 H C 1.653 176.963 175.328 -0.030 0.000 0.979 699 H CA 2.208 58.237 56.048 -0.032 0.000 1.268 699 H CB 0.646 30.389 29.762 -0.032 0.000 1.450 699 H HN -0.221 8.361 8.280 0.022 -0.289 0.527 700 L N 0.104 121.368 121.223 0.068 0.000 2.027 700 L HA -0.347 nan 4.340 nan 0.000 0.206 700 L C 1.400 178.254 176.870 -0.027 0.000 1.074 700 L CA 3.077 57.939 54.840 0.036 0.000 0.745 700 L CB -0.019 42.064 42.059 0.040 0.000 0.898 700 L HN -0.652 7.756 8.230 0.066 -0.139 0.433 701 V N -0.783 119.084 119.914 -0.078 0.000 2.295 701 V HA -0.404 nan 4.120 nan 0.000 0.246 701 V C 2.068 178.120 176.094 -0.070 0.000 1.049 701 V CA 4.343 66.578 62.300 -0.108 0.000 1.024 701 V CB -0.813 30.919 31.823 -0.152 0.000 0.648 701 V HN -0.043 8.094 8.190 -0.089 0.000 0.447 702 L N -1.116 120.076 121.223 -0.052 0.000 2.042 702 L HA -0.388 nan 4.340 nan 0.000 0.210 702 L C 1.713 178.584 176.870 0.001 0.000 1.076 702 L CA 3.248 58.074 54.840 -0.023 0.000 0.749 702 L CB -0.671 41.379 42.059 -0.015 0.000 0.893 702 L HN -0.562 7.632 8.230 -0.060 0.000 0.432 703 E N -1.482 118.724 120.200 0.009 0.000 2.038 703 E HA -0.442 nan 4.350 nan 0.000 0.195 703 E C 2.532 179.123 176.600 -0.015 0.000 1.000 703 E CA 3.524 59.928 56.400 0.007 0.000 0.803 703 E CB -0.709 28.997 29.700 0.010 0.000 0.750 703 E HN 0.001 8.370 8.360 0.016 0.000 0.448 704 Q N -1.352 118.424 119.800 -0.040 0.000 2.364 704 Q HA -0.176 nan 4.340 nan 0.000 0.207 704 Q C 2.967 178.939 176.000 -0.047 0.000 0.970 704 Q CA 2.518 58.284 55.803 -0.062 0.000 0.888 704 Q CB -0.215 28.463 28.738 -0.100 0.000 0.951 704 Q HN -0.618 7.550 8.270 -0.042 0.076 0.469 705 L N -1.672 119.530 121.223 -0.036 0.000 2.362 705 L HA -0.302 nan 4.340 nan 0.000 0.219 705 L C 1.467 178.336 176.870 -0.001 0.000 1.134 705 L CA 2.729 57.556 54.840 -0.022 0.000 0.807 705 L CB -0.792 41.255 42.059 -0.020 0.000 0.927 705 L HN 0.573 8.567 8.230 -0.039 0.212 0.447 706 R N -1.575 118.931 120.500 0.010 0.000 2.146 706 R HA -0.001 nan 4.340 nan 0.000 0.206 706 R C 2.914 179.243 176.300 0.048 0.000 1.049 706 R CA 2.811 58.929 56.100 0.030 0.000 1.029 706 R CB 0.162 30.483 30.300 0.035 0.000 0.949 706 R HN 0.025 8.134 8.270 0.003 0.163 0.471 707 C N -0.753 118.571 119.300 0.039 0.000 2.453 707 C HA -0.068 nan 4.460 nan 0.000 0.277 707 C C 1.180 176.267 174.990 0.162 0.000 1.262 707 C CA 1.855 60.925 59.018 0.087 0.000 1.718 707 C CB -0.998 26.735 27.740 -0.011 0.000 2.031 707 C HN 0.358 8.596 8.230 0.012 0.000 0.480 708 N N 0.089 118.821 118.700 0.053 0.000 2.550 708 N HA -0.101 nan 4.740 nan 0.000 0.186 708 N C -0.150 175.287 175.510 -0.122 0.000 1.110 708 N CA 1.421 54.442 53.050 -0.047 0.000 0.912 708 N CB 0.527 38.946 38.487 -0.113 0.000 0.968 708 N HN -0.147 8.121 8.380 0.007 0.116 0.448 709 G N -1.788 107.013 108.800 0.002 0.000 2.462 709 G HA2 -0.436 nan 3.960 nan 0.000 0.283 709 G HA3 -0.436 nan 3.960 nan 0.000 0.283 709 G C 0.364 175.305 174.900 0.068 0.000 1.043 709 G CA 0.673 45.817 45.100 0.073 0.000 1.300 709 G HN -0.529 7.567 8.290 0.034 0.214 0.518 710 V N 2.108 122.048 119.914 0.044 0.000 2.725 710 V HA -0.195 nan 4.120 nan 0.000 0.247 710 V C 1.143 177.268 176.094 0.052 0.000 1.058 710 V CA 2.821 65.165 62.300 0.073 0.000 1.080 710 V CB -0.027 31.819 31.823 0.038 0.000 0.713 710 V HN 0.178 8.383 8.190 0.026 0.000 0.465 711 L N -0.929 120.292 121.223 -0.003 0.000 2.056 711 L HA -0.362 nan 4.340 nan 0.000 0.207 711 L C 2.413 179.194 176.870 -0.148 0.000 1.078 711 L CA 3.896 58.706 54.840 -0.050 0.000 0.749 711 L CB -1.164 40.869 42.059 -0.044 0.000 0.901 711 L HN 0.052 8.284 8.230 0.004 0.000 0.433 712 E N -2.315 117.734 120.200 -0.251 0.000 2.060 712 E HA -0.174 nan 4.350 nan 0.000 0.189 712 E C 2.402 178.540 176.600 -0.769 0.000 0.974 712 E CA 2.785 58.716 56.400 -0.781 0.000 0.808 712 E CB -1.059 28.245 29.700 -0.659 0.000 0.768 712 E HN 0.014 8.268 8.360 -0.125 0.031 0.453 713 G N -0.169 108.611 108.800 -0.033 0.000 2.450 713 G HA2 -0.288 nan 3.960 nan 0.000 0.220 713 G HA3 -0.288 nan 3.960 nan 0.000 0.220 713 G C 1.006 176.187 174.900 0.468 0.000 1.130 713 G CA 1.799 47.174 45.100 0.459 0.000 0.760 713 G HN -0.695 7.643 8.290 0.080 0.000 0.557 714 I N 2.118 122.811 120.570 0.206 0.000 2.052 714 I HA -0.566 nan 4.170 nan 0.000 0.235 714 I C 1.627 177.765 176.117 0.035 0.000 1.046 714 I CA 4.016 65.371 61.300 0.092 0.000 1.308 714 I CB -0.181 37.827 38.000 0.013 0.000 1.031 714 I HN 0.254 8.451 8.210 0.158 0.108 0.395 715 R N -2.129 118.304 120.500 -0.112 0.000 2.377 715 R HA -0.293 nan 4.340 nan 0.000 0.207 715 R C 1.217 177.653 176.300 0.226 0.000 1.075 715 R CA 2.460 58.559 56.100 -0.003 0.000 1.035 715 R CB -0.479 29.829 30.300 0.012 0.000 0.857 715 R HN -0.689 7.387 8.270 -0.230 0.055 0.475 716 I N -0.622 120.059 120.570 0.185 0.000 3.313 716 I HA -0.077 nan 4.170 nan 0.000 0.233 716 I C 0.472 176.773 176.117 0.308 0.000 1.050 716 I CA 1.537 63.034 61.300 0.329 0.000 1.499 716 I CB 0.983 39.168 38.000 0.309 0.000 1.373 716 I HN -0.582 7.561 8.210 -0.010 0.061 0.458 717 C N 0.602 120.081 119.300 0.298 0.000 2.522 717 C HA -0.055 nan 4.460 nan 0.000 0.271 717 C C 2.207 177.255 174.990 0.097 0.000 1.425 717 C CA 2.079 61.229 59.018 0.220 0.000 1.751 717 C CB -2.270 25.664 27.740 0.323 0.000 1.775 717 C HN -0.300 8.161 8.230 0.384 0.000 0.557 718 R N 1.883 122.442 120.500 0.098 0.000 2.127 718 R HA -0.305 nan 4.340 nan 0.000 0.238 718 R C 1.277 177.586 176.300 0.015 0.000 1.134 718 R CA 2.434 58.555 56.100 0.036 0.000 0.975 718 R CB -0.789 29.531 30.300 0.033 0.000 0.865 718 R HN 0.527 8.744 8.270 0.143 0.138 0.447 719 Q N -3.997 115.854 119.800 0.085 0.000 2.403 719 Q HA 0.040 nan 4.340 nan 0.000 0.203 719 Q C 0.593 176.629 176.000 0.060 0.000 0.932 719 Q CA -0.229 55.620 55.803 0.077 0.000 0.945 719 Q CB 0.220 29.034 28.738 0.127 0.000 1.045 719 Q HN 0.225 8.454 8.270 0.162 0.138 0.511 720 G N -0.472 108.280 108.800 -0.080 0.000 2.788 720 G HA2 0.529 nan 3.960 nan 0.000 0.293 720 G HA3 0.529 nan 3.960 nan 0.000 0.293 720 G C -2.569 171.981 174.900 -0.583 0.000 1.305 720 G CA -1.224 43.728 45.100 -0.245 0.000 1.005 720 G HN -0.238 7.845 8.290 -0.110 0.142 0.496 721 F N -2.309 117.684 119.950 0.071 0.000 2.449 721 F HA 0.435 nan 4.527 nan 0.000 0.342 721 F C -1.812 174.081 175.800 0.156 0.000 1.127 721 F CA -2.591 55.495 58.000 0.144 0.000 0.975 721 F CB 1.453 40.572 39.000 0.197 0.000 1.146 721 F HN 0.414 8.847 8.300 0.222 0.000 0.444 722 P HA -0.187 nan 4.420 nan 0.000 0.210 722 P C -0.512 176.912 177.300 0.206 0.000 1.191 722 P CA 1.369 64.496 63.100 0.045 0.000 0.917 722 P CB 0.361 32.007 31.700 -0.090 0.000 0.778 723 N N -0.850 118.013 118.700 0.271 0.000 2.483 723 N HA -0.052 nan 4.740 nan 0.000 0.264 723 N C -0.563 175.050 175.510 0.171 0.000 1.197 723 N CA 1.134 54.312 53.050 0.214 0.000 0.927 723 N CB 0.311 38.936 38.487 0.230 0.000 1.065 723 N HN 0.031 8.597 8.380 0.310 0.000 0.461 724 R N 0.838 121.307 120.500 -0.051 0.000 2.888 724 R HA 0.987 nan 4.340 nan 0.000 0.266 724 R C -2.287 173.801 176.300 -0.353 0.000 1.020 724 R CA -1.763 54.076 56.100 -0.434 0.000 0.963 724 R CB 3.694 33.559 30.300 -0.726 0.000 1.197 724 R HN 0.025 8.280 8.270 -0.026 0.000 0.481 725 I N -2.074 118.215 120.570 -0.468 0.000 2.661 725 I HA 0.045 nan 4.170 nan 0.000 0.290 725 I C -2.585 173.293 176.117 -0.399 0.000 1.734 725 I CA -0.160 60.908 61.300 -0.386 0.000 1.018 725 I CB 4.201 41.946 38.000 -0.425 0.000 1.532 725 I HN 0.496 8.333 8.210 -0.623 0.000 0.488 726 V N 8.955 128.741 119.914 -0.214 0.000 2.446 726 V HA 0.165 nan 4.120 nan 0.000 0.276 726 V C 0.743 176.852 176.094 0.025 0.000 1.030 726 V CA 1.287 63.534 62.300 -0.089 0.000 1.033 726 V CB -1.149 30.654 31.823 -0.034 0.000 0.993 726 V HN 0.581 8.945 8.190 -0.155 -0.267 0.477 727 F N 9.998 129.889 119.950 -0.098 0.000 2.120 727 F HA -0.498 nan 4.527 nan 0.000 0.300 727 F C 0.892 176.752 175.800 0.100 0.000 1.095 727 F CA 4.164 62.178 58.000 0.024 0.000 1.249 727 F CB 0.381 39.388 39.000 0.012 0.000 0.995 727 F HN 0.288 8.633 8.300 0.157 0.049 0.480 728 Q N -1.583 118.160 119.800 -0.094 0.000 2.050 728 Q HA -0.373 nan 4.340 nan 0.000 0.202 728 Q C 2.229 178.152 176.000 -0.128 0.000 0.980 728 Q CA 3.512 59.165 55.803 -0.249 0.000 0.840 728 Q CB -0.949 27.731 28.738 -0.096 0.000 0.898 728 Q HN -0.330 7.999 8.270 0.098 0.000 0.424 729 E N -0.687 119.509 120.200 -0.006 0.000 2.068 729 E HA -0.312 nan 4.350 nan 0.000 0.207 729 E C 2.710 179.409 176.600 0.165 0.000 1.032 729 E CA 3.065 59.505 56.400 0.067 0.000 0.839 729 E CB -0.588 29.168 29.700 0.094 0.000 0.758 729 E HN 0.273 8.635 8.360 0.004 0.000 0.457 730 F N -0.894 119.049 119.950 -0.012 0.000 2.225 730 F HA -0.373 nan 4.527 nan 0.000 0.302 730 F C 1.788 177.567 175.800 -0.035 0.000 1.068 730 F CA 2.023 60.040 58.000 0.028 0.000 1.327 730 F CB 0.178 39.182 39.000 0.007 0.000 1.043 730 F HN 0.144 8.573 8.300 0.400 0.110 0.506 731 R N -0.620 119.820 120.500 -0.100 0.000 2.062 731 R HA -0.188 nan 4.340 nan 0.000 0.226 731 R C 1.247 177.512 176.300 -0.059 0.000 1.125 731 R CA 1.987 57.986 56.100 -0.168 0.000 0.966 731 R CB -0.365 29.696 30.300 -0.398 0.000 0.861 731 R HN 0.174 8.176 8.270 -0.186 0.156 0.433 732 Q N 0.813 120.571 119.800 -0.070 0.000 3.181 732 Q HA 0.055 nan 4.340 nan 0.000 0.293 732 Q C -0.600 175.383 176.000 -0.029 0.000 1.406 732 Q CA 0.352 56.120 55.803 -0.057 0.000 1.026 732 Q CB -1.387 27.312 28.738 -0.065 0.000 1.630 732 Q HN -0.310 7.817 8.270 -0.079 0.096 0.553 733 R N -0.510 119.981 120.500 -0.015 0.000 3.232 733 R HA -0.076 nan 4.340 nan 0.000 0.029 733 R C 0.189 176.462 176.300 -0.045 0.000 0.819 733 R CA 1.380 57.468 56.100 -0.020 0.000 3.071 733 R CB 0.384 30.702 30.300 0.030 0.000 0.949 733 R HN 0.114 8.344 8.270 -0.018 0.029 0.534 734 Y N 0.610 120.799 120.300 -0.185 0.000 2.421 734 Y HA -0.373 nan 4.550 nan 0.000 0.292 734 Y C 1.062 176.898 175.900 -0.107 0.000 1.136 734 Y CA 2.515 60.517 58.100 -0.163 0.000 1.255 734 Y CB 0.076 38.447 38.460 -0.149 0.000 0.991 734 Y HN -0.074 8.279 8.280 0.302 0.109 0.552 735 E N 0.063 120.278 120.200 0.026 0.000 2.661 735 E HA -0.495 nan 4.350 nan 0.000 0.250 735 E C 1.593 178.178 176.600 -0.025 0.000 1.059 735 E CA 3.224 59.615 56.400 -0.015 0.000 1.381 735 E CB -0.528 29.143 29.700 -0.049 0.000 1.255 735 E HN -0.220 8.128 8.360 0.041 0.037 0.469 736 I N -2.073 118.468 120.570 -0.048 0.000 4.018 736 I HA -0.020 nan 4.170 nan 0.000 0.337 736 I C 1.161 177.247 176.117 -0.052 0.000 1.327 736 I CA -1.401 59.870 61.300 -0.048 0.000 1.100 736 I CB 0.030 37.999 38.000 -0.052 0.000 1.025 736 I HN -0.399 7.716 8.210 -0.065 0.056 0.396 737 L N 1.509 122.694 121.223 -0.062 0.000 2.137 737 L HA -0.371 nan 4.340 nan 0.000 0.213 737 L C -0.421 176.432 176.870 -0.029 0.000 1.085 737 L CA 3.300 58.106 54.840 -0.056 0.000 0.760 737 L CB -0.557 41.479 42.059 -0.038 0.000 0.893 737 L HN 0.104 8.291 8.230 -0.071 0.000 0.434 738 A N -4.776 118.034 122.820 -0.018 0.000 3.165 738 A HA 0.329 nan 4.320 nan 0.000 0.331 738 A C -0.527 177.045 177.584 -0.020 0.000 1.034 738 A CA -2.095 49.933 52.037 -0.014 0.000 0.906 738 A CB -1.184 17.813 19.000 -0.004 0.000 1.054 738 A HN -0.673 7.464 8.150 -0.014 0.005 0.484 739 A N 1.831 124.635 122.820 -0.027 0.000 2.042 739 A HA -0.363 nan 4.320 nan 0.000 0.222 739 A C 1.142 178.711 177.584 -0.025 0.000 1.167 739 A CA 2.696 54.715 52.037 -0.029 0.000 0.649 739 A CB -0.644 18.339 19.000 -0.029 0.000 0.809 739 A HN 0.365 8.418 8.150 -0.030 0.079 0.457 740 N N -2.435 116.253 118.700 -0.020 0.000 2.300 740 N HA -0.110 nan 4.740 nan 0.000 0.179 740 N C 0.773 176.275 175.510 -0.014 0.000 1.016 740 N CA 1.464 54.505 53.050 -0.016 0.000 0.876 740 N CB 0.077 38.557 38.487 -0.013 0.000 0.979 740 N HN -0.075 8.255 8.380 -0.019 0.039 0.432 741 A N -0.161 122.652 122.820 -0.012 0.000 1.878 741 A HA -0.028 nan 4.320 nan 0.000 0.213 741 A C 0.201 177.779 177.584 -0.010 0.000 1.192 741 A CA 1.474 53.507 52.037 -0.007 0.000 0.619 741 A CB 0.859 19.858 19.000 -0.002 0.000 0.837 741 A HN -0.454 7.549 8.150 -0.013 0.139 0.446 742 I N 0.385 120.946 120.570 -0.014 0.000 2.371 742 I HA 0.169 nan 4.170 nan 0.000 0.290 742 I C -1.887 174.212 176.117 -0.031 0.000 1.028 742 I CA -1.119 60.169 61.300 -0.019 0.000 1.345 742 I CB 0.556 38.543 38.000 -0.021 0.000 1.407 742 I HN -0.517 7.683 8.210 -0.017 0.000 0.501 743 P HA 0.334 nan 4.420 nan 0.000 0.334 743 P C -1.854 175.413 177.300 -0.055 0.000 1.058 743 P CA -1.246 61.825 63.100 -0.048 0.000 0.868 743 P CB 1.795 33.473 31.700 -0.037 0.000 1.318 744 K N -1.439 118.921 120.400 -0.066 0.000 3.200 744 K HA -0.223 nan 4.320 nan 0.000 0.272 744 K C 0.861 177.407 176.600 -0.089 0.000 1.150 744 K CA 0.066 56.317 56.287 -0.060 0.000 0.801 744 K CB -0.534 31.951 32.500 -0.024 0.000 1.269 744 K HN 0.372 8.579 8.250 -0.071 0.000 0.500 745 G N -2.425 106.260 108.800 -0.192 0.000 5.259 745 G HA2 -0.360 nan 3.960 nan 0.000 0.288 745 G HA3 -0.360 nan 3.960 nan 0.000 0.288 745 G C -0.937 173.587 174.900 -0.627 0.000 1.534 745 G CA 0.051 44.894 45.100 -0.428 0.000 1.031 745 G HN -0.063 8.120 8.290 -0.179 0.000 0.724 746 F N -0.186 119.750 119.950 -0.023 0.000 2.654 746 F HA 0.369 nan 4.527 nan 0.000 0.334 746 F C -1.436 174.351 175.800 -0.022 0.000 1.078 746 F CA -0.928 57.056 58.000 -0.026 0.000 0.986 746 F CB 2.542 41.527 39.000 -0.025 0.000 1.362 746 F HN -0.494 7.765 8.300 0.009 0.045 0.498 747 M N 0.949 120.662 119.600 0.188 0.000 2.366 747 M HA 0.029 nan 4.480 nan 0.000 0.287 747 M C -1.569 174.770 176.300 0.066 0.000 1.083 747 M CA -0.412 54.941 55.300 0.089 0.000 0.934 747 M CB 2.313 34.942 32.600 0.047 0.000 1.852 747 M HN -0.114 8.315 8.290 0.231 0.000 0.502 748 D N 5.594 126.021 120.400 0.046 0.000 2.622 748 D HA -0.207 nan 4.640 nan 0.000 0.227 748 D C 0.831 177.142 176.300 0.018 0.000 1.159 748 D CA 1.197 55.216 54.000 0.031 0.000 0.865 748 D CB 1.358 42.180 40.800 0.036 0.000 1.207 748 D HN 0.107 8.505 8.370 0.047 0.000 0.492 749 G N 1.470 110.269 108.800 -0.002 0.000 2.616 749 G HA2 -0.239 nan 3.960 nan 0.000 0.215 749 G HA3 -0.239 nan 3.960 nan 0.000 0.215 749 G C 0.849 175.705 174.900 -0.074 0.000 1.284 749 G CA 1.216 46.281 45.100 -0.059 0.000 0.823 749 G HN 0.239 8.535 8.290 0.009 0.000 0.569 750 K N 1.540 121.933 120.400 -0.011 0.000 2.081 750 K HA -0.541 nan 4.320 nan 0.000 0.222 750 K C 2.262 179.020 176.600 0.263 0.000 1.055 750 K CA 3.417 59.847 56.287 0.240 0.000 0.954 750 K CB -0.631 32.069 32.500 0.332 0.000 0.732 750 K HN 0.106 8.412 8.250 -0.007 -0.061 0.458 751 Q N -1.834 118.052 119.800 0.143 0.000 2.020 751 Q HA -0.271 nan 4.340 nan 0.000 0.202 751 Q C 2.124 178.173 176.000 0.081 0.000 0.982 751 Q CA 2.803 58.672 55.803 0.109 0.000 0.838 751 Q CB -0.137 28.644 28.738 0.071 0.000 0.899 751 Q HN -0.382 8.256 8.270 0.106 -0.304 0.423 752 A N -0.792 122.056 122.820 0.046 0.000 2.024 752 A HA -0.326 nan 4.320 nan 0.000 0.220 752 A C 1.974 179.574 177.584 0.025 0.000 1.164 752 A CA 2.907 54.959 52.037 0.025 0.000 0.643 752 A CB -0.971 18.033 19.000 0.007 0.000 0.806 752 A HN -0.491 7.683 8.150 0.039 0.000 0.451 753 C N -2.553 116.762 119.300 0.026 0.000 2.413 753 C HA -0.332 nan 4.460 nan 0.000 0.277 753 C C 1.844 176.886 174.990 0.087 0.000 1.265 753 C CA 4.276 63.324 59.018 0.050 0.000 1.752 753 C CB -1.914 25.843 27.740 0.030 0.000 1.998 753 C HN -0.058 8.168 8.230 0.008 0.010 0.489 754 I N 0.154 120.788 120.570 0.107 0.000 2.286 754 I HA -0.428 nan 4.170 nan 0.000 0.248 754 I C 1.506 177.627 176.117 0.007 0.000 1.115 754 I CA 3.762 65.085 61.300 0.038 0.000 1.392 754 I CB -0.297 37.745 38.000 0.070 0.000 1.065 754 I HN -0.265 7.929 8.210 0.145 0.103 0.418 755 L N -0.475 120.762 121.223 0.024 0.000 2.017 755 L HA -0.381 nan 4.340 nan 0.000 0.208 755 L C 2.197 179.075 176.870 0.013 0.000 1.073 755 L CA 3.710 58.559 54.840 0.015 0.000 0.745 755 L CB -0.642 41.426 42.059 0.015 0.000 0.894 755 L HN -0.612 7.537 8.230 0.039 0.104 0.432 756 M N -2.581 117.035 119.600 0.026 0.000 2.175 756 M HA -0.362 nan 4.480 nan 0.000 0.264 756 M C 1.937 178.277 176.300 0.067 0.000 1.063 756 M CA 3.653 58.980 55.300 0.045 0.000 1.119 756 M CB -0.171 32.472 32.600 0.072 0.000 1.377 756 M HN 0.008 8.315 8.290 0.028 0.000 0.415 757 I N -0.476 120.117 120.570 0.037 0.000 2.286 757 I HA -0.399 nan 4.170 nan 0.000 0.245 757 I C 2.573 178.661 176.117 -0.048 0.000 1.104 757 I CA 3.201 64.496 61.300 -0.009 0.000 1.397 757 I CB 0.033 37.910 38.000 -0.207 0.000 1.072 757 I HN 0.084 8.303 8.210 0.015 0.000 0.417 758 K N -0.408 119.954 120.400 -0.062 0.000 2.103 758 K HA -0.331 nan 4.320 nan 0.000 0.207 758 K C 1.935 178.536 176.600 0.001 0.000 1.048 758 K CA 2.554 58.822 56.287 -0.030 0.000 0.930 758 K CB -0.702 31.788 32.500 -0.017 0.000 0.716 758 K HN 0.132 8.341 8.250 -0.067 0.000 0.444 759 A N -3.021 119.803 122.820 0.007 0.000 2.248 759 A HA -0.101 nan 4.320 nan 0.000 0.210 759 A C -0.214 177.376 177.584 0.011 0.000 1.174 759 A CA 1.517 53.559 52.037 0.008 0.000 0.750 759 A CB -0.538 18.464 19.000 0.004 0.000 0.780 759 A HN -0.531 7.613 8.150 0.006 0.009 0.478 760 L N -4.043 117.194 121.223 0.024 0.000 3.059 760 L HA 0.175 nan 4.340 nan 0.000 0.298 760 L C -1.119 175.779 176.870 0.046 0.000 1.304 760 L CA -0.887 53.968 54.840 0.024 0.000 0.855 760 L CB -0.510 41.559 42.059 0.016 0.000 1.266 760 L HN -0.515 7.682 8.230 0.032 0.052 0.572 761 E N -1.258 118.967 120.200 0.042 0.000 4.876 761 E HA -0.484 nan 4.350 nan 0.000 0.174 761 E C -0.058 176.588 176.600 0.076 0.000 1.304 761 E CA 2.842 59.277 56.400 0.058 0.000 2.277 761 E CB -1.130 28.610 29.700 0.067 0.000 1.860 761 E HN 0.112 8.490 8.360 0.031 0.000 0.382 762 L N 1.171 122.459 121.223 0.108 0.000 3.756 762 L HA -0.372 nan 4.340 nan 0.000 0.523 762 L C -0.209 176.759 176.870 0.163 0.000 1.021 762 L CA 0.561 55.488 54.840 0.144 0.000 0.844 762 L CB -2.065 40.018 42.059 0.040 0.000 0.982 762 L HN -0.129 8.117 8.230 0.116 0.054 0.702 763 D N 3.518 124.066 120.400 0.246 0.000 2.458 763 D HA 0.027 nan 4.640 nan 0.000 0.243 763 D C 0.174 176.691 176.300 0.361 0.000 1.146 763 D CA -1.540 52.604 54.000 0.240 0.000 0.877 763 D CB 0.875 41.790 40.800 0.192 0.000 1.176 763 D HN -0.148 8.381 8.370 0.265 0.000 0.461 764 P HA -0.397 nan 4.420 nan 0.000 0.222 764 P C 0.290 177.610 177.300 0.033 0.000 1.154 764 P CA 2.425 65.700 63.100 0.291 0.000 0.874 764 P CB -0.169 31.622 31.700 0.152 0.000 0.787 765 N N -3.819 114.925 118.700 0.073 0.000 2.461 765 N HA -0.069 nan 4.740 nan 0.000 0.188 765 N C 0.524 176.112 175.510 0.131 0.000 1.134 765 N CA 1.153 54.233 53.050 0.050 0.000 0.878 765 N CB 1.010 39.535 38.487 0.062 0.000 0.972 765 N HN -0.508 8.204 8.380 0.127 -0.256 0.456 766 L N -4.238 117.071 121.223 0.143 0.000 2.642 766 L HA 0.104 nan 4.340 nan 0.000 0.233 766 L C -1.068 175.901 176.870 0.165 0.000 1.077 766 L CA 0.282 55.308 54.840 0.310 0.000 0.879 766 L CB 1.869 44.148 42.059 0.367 0.000 1.151 766 L HN -0.219 8.035 8.230 0.144 0.063 0.495 767 Y N -3.777 116.303 120.300 -0.368 0.000 2.420 767 Y HA 0.594 nan 4.550 nan 0.000 0.334 767 Y C -1.582 173.818 175.900 -0.833 0.000 1.094 767 Y CA -2.799 54.601 58.100 -1.167 0.000 1.126 767 Y CB 2.020 39.708 38.460 -1.286 0.000 1.217 767 Y HN -0.978 7.048 8.280 -0.423 0.000 0.462 768 R N 1.571 121.424 120.500 -1.078 0.000 2.574 768 R HA 0.311 nan 4.340 nan 0.000 0.288 768 R C -1.880 174.100 176.300 -0.534 0.000 1.004 768 R CA -1.984 53.534 56.100 -0.970 0.000 0.895 768 R CB 3.618 33.029 30.300 -1.481 0.000 1.191 768 R HN 0.674 8.393 8.270 -0.892 0.016 0.444 769 I N 5.869 126.106 120.570 -0.554 0.000 2.331 769 I HA 0.510 nan 4.170 nan 0.000 0.292 769 I C -1.050 174.834 176.117 -0.388 0.000 0.998 769 I CA -2.257 58.653 61.300 -0.649 0.000 1.267 769 I CB 0.896 38.487 38.000 -0.682 0.000 1.386 769 I HN 0.482 8.350 8.210 -0.570 0.000 0.476 770 G N 3.240 111.903 108.800 -0.230 0.000 3.099 770 G HA2 0.427 nan 3.960 nan 0.000 0.151 770 G HA3 0.427 nan 3.960 nan 0.000 0.151 770 G C 0.256 175.145 174.900 -0.018 0.000 1.265 770 G CA -0.687 44.373 45.100 -0.066 0.000 0.981 770 G HN 0.366 8.531 8.290 -0.208 0.000 0.601 771 Q N 1.194 121.038 119.800 0.072 0.000 1.941 771 Q HA -0.126 nan 4.340 nan 0.000 0.201 771 Q C 2.711 178.843 176.000 0.220 0.000 0.982 771 Q CA 3.396 59.271 55.803 0.121 0.000 0.839 771 Q CB 0.313 29.107 28.738 0.093 0.000 0.904 771 Q HN 0.037 8.339 8.270 0.078 0.015 0.427 772 S N -2.905 112.909 115.700 0.190 0.000 2.502 772 S HA 0.016 nan 4.470 nan 0.000 0.228 772 S C -0.116 174.620 174.600 0.226 0.000 1.061 772 S CA 1.249 59.572 58.200 0.205 0.000 0.935 772 S CB 1.077 64.341 63.200 0.107 0.000 0.809 772 S HN -0.194 8.559 8.310 0.148 -0.354 0.510 773 K N 1.451 121.946 120.400 0.159 0.000 2.144 773 K HA 0.298 nan 4.320 nan 0.000 0.270 773 K C -1.826 174.796 176.600 0.037 0.000 1.005 773 K CA -0.281 56.016 56.287 0.016 0.000 0.932 773 K CB 1.243 33.647 32.500 -0.160 0.000 1.021 773 K HN -0.446 8.417 8.250 0.182 -0.505 0.462 774 I N 0.817 121.304 120.570 -0.138 0.000 2.530 774 I HA 0.602 nan 4.170 nan 0.000 0.297 774 I C -2.270 173.681 176.117 -0.275 0.000 1.011 774 I CA -2.160 59.072 61.300 -0.113 0.000 1.107 774 I CB 3.345 41.347 38.000 0.004 0.000 1.285 774 I HN 0.517 8.446 8.210 -0.289 0.108 0.436 775 F N 4.606 124.383 119.950 -0.288 0.000 2.551 775 F HA 0.542 nan 4.527 nan 0.000 0.316 775 F C -1.416 174.313 175.800 -0.118 0.000 1.089 775 F CA -1.879 56.008 58.000 -0.187 0.000 0.915 775 F CB 3.648 42.411 39.000 -0.394 0.000 1.186 775 F HN 0.226 8.425 8.300 -0.115 0.033 0.456 776 F N -0.122 119.973 119.950 0.242 0.000 2.588 776 F HA 0.469 nan 4.527 nan 0.000 0.310 776 F C -1.639 174.481 175.800 0.533 0.000 1.082 776 F CA -1.360 56.879 58.000 0.398 0.000 0.929 776 F CB 5.085 44.248 39.000 0.271 0.000 1.254 776 F HN 0.842 9.338 8.300 0.566 0.144 0.455 777 R N 1.307 122.268 120.500 0.769 0.000 2.801 777 R HA 0.024 nan 4.340 nan 0.000 0.273 777 R C -0.405 176.108 176.300 0.355 0.000 1.080 777 R CA -0.406 55.928 56.100 0.389 0.000 1.197 777 R CB 1.083 31.556 30.300 0.288 0.000 1.109 777 R HN 0.396 9.170 8.270 0.841 0.000 0.535 778 T N -0.205 114.520 114.554 0.286 0.000 2.934 778 T HA -0.281 nan 4.350 nan 0.000 0.321 778 T C 1.500 176.382 174.700 0.303 0.000 1.080 778 T CA 2.800 65.097 62.100 0.327 0.000 1.132 778 T CB -0.524 68.551 68.868 0.346 0.000 1.039 778 T HN 0.466 8.836 8.240 0.217 0.000 0.543 779 G N 4.464 113.445 108.800 0.301 0.000 2.435 779 G HA2 -0.494 nan 3.960 nan 0.000 0.245 779 G HA3 -0.494 nan 3.960 nan 0.000 0.245 779 G C 0.282 175.365 174.900 0.306 0.000 1.073 779 G CA 1.886 47.176 45.100 0.317 0.000 0.638 779 G HN 0.194 8.654 8.290 0.284 0.000 0.521 780 V N 3.375 123.477 119.914 0.314 0.000 2.341 780 V HA -0.139 nan 4.120 nan 0.000 0.240 780 V C 1.171 177.361 176.094 0.159 0.000 1.035 780 V CA 2.550 65.044 62.300 0.323 0.000 1.033 780 V CB -0.001 32.121 31.823 0.499 0.000 0.678 780 V HN -0.588 7.720 8.190 0.344 0.088 0.464 781 L N -0.400 120.778 121.223 -0.076 0.000 2.082 781 L HA -0.510 nan 4.340 nan 0.000 0.223 781 L C 1.091 177.770 176.870 -0.319 0.000 1.086 781 L CA 4.114 58.448 54.840 -0.842 0.000 0.793 781 L CB -0.190 41.569 42.059 -0.500 0.000 0.896 781 L HN -0.134 8.181 8.230 0.142 0.000 0.441 782 A N -5.307 117.481 122.820 -0.053 0.000 2.013 782 A HA -0.061 nan 4.320 nan 0.000 0.204 782 A C 1.589 179.202 177.584 0.048 0.000 1.262 782 A CA 2.326 54.423 52.037 0.100 0.000 0.800 782 A CB -0.513 18.642 19.000 0.259 0.000 0.909 782 A HN -0.201 7.849 8.150 0.021 0.113 0.472 783 H N 1.181 120.096 119.070 -0.259 0.000 2.462 783 H HA -0.031 nan 4.556 nan 0.000 0.292 783 H C 1.836 177.059 175.328 -0.175 0.000 1.049 783 H CA 2.700 58.425 56.048 -0.538 0.000 1.334 783 H CB 0.297 29.623 29.762 -0.726 0.000 1.404 783 H HN -0.562 7.711 8.280 -0.011 0.000 0.544 784 L N -2.478 118.602 121.223 -0.238 0.000 2.395 784 L HA -0.102 nan 4.340 nan 0.000 0.218 784 L C 2.377 179.176 176.870 -0.117 0.000 1.130 784 L CA 1.706 56.458 54.840 -0.146 0.000 0.826 784 L CB -1.492 40.623 42.059 0.094 0.000 0.941 784 L HN 0.407 8.587 8.230 -0.084 0.000 0.451 785 E N 0.815 120.964 120.200 -0.086 0.000 2.028 785 E HA -0.302 nan 4.350 nan 0.000 0.191 785 E C 1.953 178.443 176.600 -0.183 0.000 0.988 785 E CA 3.003 59.336 56.400 -0.112 0.000 0.799 785 E CB -0.359 29.350 29.700 0.015 0.000 0.755 785 E HN 0.100 8.300 8.360 -0.063 0.123 0.447 786 E N -0.409 119.699 120.200 -0.152 0.000 2.012 786 E HA -0.387 nan 4.350 nan 0.000 0.197 786 E C 2.452 178.921 176.600 -0.219 0.000 1.007 786 E CA 3.294 59.611 56.400 -0.140 0.000 0.816 786 E CB -0.032 29.627 29.700 -0.067 0.000 0.762 786 E HN 0.094 8.267 8.360 -0.116 0.117 0.451 787 E N -2.297 117.662 120.200 -0.400 0.000 2.333 787 E HA -0.295 nan 4.350 nan 0.000 0.198 787 E C 2.376 178.837 176.600 -0.232 0.000 1.007 787 E CA 2.387 58.601 56.400 -0.310 0.000 0.845 787 E CB -0.261 29.209 29.700 -0.383 0.000 0.766 787 E HN 0.112 7.963 8.360 -0.686 0.098 0.507 788 R N -0.235 120.098 120.500 -0.277 0.000 2.148 788 R HA -0.250 nan 4.340 nan 0.000 0.223 788 R C 1.698 177.826 176.300 -0.287 0.000 1.088 788 R CA 3.031 58.918 56.100 -0.354 0.000 0.985 788 R CB -0.362 29.513 30.300 -0.709 0.000 0.880 788 R HN -0.057 7.793 8.270 -0.289 0.247 0.451 789 D N 0.527 120.794 120.400 -0.223 0.000 2.117 789 D HA -0.247 nan 4.640 nan 0.000 0.197 789 D C 2.486 178.718 176.300 -0.113 0.000 0.987 789 D CA 3.448 57.358 54.000 -0.150 0.000 0.829 789 D CB -0.543 40.194 40.800 -0.104 0.000 0.961 789 D HN -0.129 7.993 8.370 -0.222 0.115 0.460 790 L N -0.978 120.181 121.223 -0.107 0.000 2.046 790 L HA -0.304 nan 4.340 nan 0.000 0.208 790 L C 2.311 179.131 176.870 -0.083 0.000 1.077 790 L CA 3.643 58.436 54.840 -0.078 0.000 0.747 790 L CB -0.118 41.904 42.059 -0.063 0.000 0.896 790 L HN -0.082 8.076 8.230 -0.120 0.000 0.432 791 K N -2.511 117.823 120.400 -0.110 0.000 2.374 791 K HA 0.081 nan 4.320 nan 0.000 0.196 791 K C 0.538 177.072 176.600 -0.111 0.000 1.023 791 K CA 0.344 56.573 56.287 -0.097 0.000 1.103 791 K CB 0.369 32.816 32.500 -0.089 0.000 0.848 791 K HN 0.031 8.002 8.250 -0.141 0.195 0.528 792 I N -5.661 114.828 120.570 -0.134 0.000 3.083 792 I HA 0.443 nan 4.170 nan 0.000 0.336 792 I C 0.145 176.211 176.117 -0.085 0.000 1.497 792 I CA -1.713 59.517 61.300 -0.117 0.000 0.936 792 I CB -0.512 37.393 38.000 -0.157 0.000 1.671 792 I HN -0.027 8.007 8.210 -0.150 0.086 0.535 793 T N 0.135 114.647 114.554 -0.069 0.000 1.691 793 T HA -0.530 nan 4.350 nan 0.000 0.099 793 T C 1.142 175.820 174.700 -0.036 0.000 1.979 793 T CA 3.441 65.512 62.100 -0.047 0.000 0.878 793 T CB -1.534 67.307 68.868 -0.044 0.000 0.834 793 T HN 0.212 8.408 8.240 -0.075 0.000 0.378 794 D N 0.791 121.170 120.400 -0.034 0.000 2.865 794 D HA -0.410 nan 4.640 nan 0.000 0.271 794 D C 2.132 178.423 176.300 -0.015 0.000 1.158 794 D CA 2.454 56.439 54.000 -0.025 0.000 1.048 794 D CB -1.108 39.675 40.800 -0.028 0.000 1.380 794 D HN 0.381 8.727 8.370 -0.040 0.000 0.520 795 V N -0.926 118.979 119.914 -0.015 0.000 2.535 795 V HA -0.100 nan 4.120 nan 0.000 0.246 795 V C 1.898 178.019 176.094 0.045 0.000 1.045 795 V CA 3.272 65.576 62.300 0.007 0.000 1.058 795 V CB 0.011 31.828 31.823 -0.010 0.000 0.689 795 V HN -0.066 8.108 8.190 -0.027 0.000 0.461 796 I N -1.777 118.812 120.570 0.032 0.000 2.500 796 I HA -0.317 nan 4.170 nan 0.000 0.252 796 I C 1.731 177.908 176.117 0.099 0.000 1.142 796 I CA 1.612 62.978 61.300 0.110 0.000 1.451 796 I CB -1.545 36.487 38.000 0.052 0.000 1.093 796 I HN -0.439 7.764 8.210 -0.011 0.000 0.430 797 I N 1.090 121.670 120.570 0.016 0.000 2.127 797 I HA -0.565 nan 4.170 nan 0.000 0.241 797 I C 1.098 177.212 176.117 -0.005 0.000 1.075 797 I CA 4.840 66.132 61.300 -0.012 0.000 1.334 797 I CB -0.568 37.415 38.000 -0.029 0.000 1.040 797 I HN 0.408 8.491 8.210 -0.010 0.121 0.405 798 A N -1.488 121.341 122.820 0.016 0.000 2.248 798 A HA -0.202 nan 4.320 nan 0.000 0.210 798 A C 1.630 179.255 177.584 0.068 0.000 1.174 798 A CA 2.349 54.399 52.037 0.021 0.000 0.750 798 A CB -1.125 17.887 19.000 0.020 0.000 0.780 798 A HN -0.502 7.600 8.150 0.016 0.058 0.478 799 F N 0.525 120.448 119.950 -0.044 0.000 2.104 799 F HA -0.174 nan 4.527 nan 0.000 0.288 799 F C 0.879 176.655 175.800 -0.041 0.000 1.107 799 F CA 1.633 59.605 58.000 -0.046 0.000 1.208 799 F CB 0.156 39.125 39.000 -0.051 0.000 1.033 799 F HN -0.029 8.128 8.300 0.178 0.249 0.478 800 Q N -0.912 118.593 119.800 -0.492 0.000 2.173 800 Q HA -0.556 nan 4.340 nan 0.000 0.208 800 Q C 2.433 178.262 176.000 -0.285 0.000 0.989 800 Q CA 3.326 58.836 55.803 -0.488 0.000 0.872 800 Q CB -0.343 28.243 28.738 -0.254 0.000 0.909 800 Q HN 0.078 8.229 8.270 -0.200 0.000 0.420 801 A N -1.062 121.659 122.820 -0.164 0.000 1.908 801 A HA -0.379 nan 4.320 nan 0.000 0.218 801 A C 2.329 179.862 177.584 -0.085 0.000 1.181 801 A CA 3.354 55.333 52.037 -0.097 0.000 0.627 801 A CB -1.040 17.928 19.000 -0.053 0.000 0.818 801 A HN 0.556 8.614 8.150 -0.132 0.013 0.445 802 Q N -1.948 117.797 119.800 -0.090 0.000 2.084 802 Q HA -0.328 nan 4.340 nan 0.000 0.202 802 Q C 2.288 178.251 176.000 -0.062 0.000 0.978 802 Q CA 2.998 58.773 55.803 -0.047 0.000 0.844 802 Q CB -0.401 28.331 28.738 -0.011 0.000 0.898 802 Q HN -0.250 7.848 8.270 -0.112 0.104 0.426 803 C N 0.019 119.206 119.300 -0.189 0.000 2.388 803 C HA -0.395 nan 4.460 nan 0.000 0.277 803 C C 2.256 177.222 174.990 -0.040 0.000 1.210 803 C CA 3.786 62.702 59.018 -0.170 0.000 1.743 803 C CB -1.842 25.696 27.740 -0.335 0.000 2.047 803 C HN -0.232 7.807 8.230 -0.318 0.000 0.458 804 R N -0.324 120.132 120.500 -0.074 0.000 2.103 804 R HA -0.460 nan 4.340 nan 0.000 0.242 804 R C 2.462 178.757 176.300 -0.010 0.000 1.142 804 R CA 3.341 59.420 56.100 -0.036 0.000 0.960 804 R CB -0.618 29.652 30.300 -0.050 0.000 0.858 804 R HN 0.156 8.347 8.270 -0.131 0.000 0.439 805 G N -1.229 107.566 108.800 -0.008 0.000 2.639 805 G HA2 -0.353 nan 3.960 nan 0.000 0.216 805 G HA3 -0.353 nan 3.960 nan 0.000 0.216 805 G C 0.635 175.548 174.900 0.021 0.000 1.267 805 G CA 1.784 46.882 45.100 -0.003 0.000 0.801 805 G HN 0.076 8.243 8.290 -0.024 0.109 0.592 806 Y N 3.495 123.753 120.300 -0.069 0.000 2.132 806 Y HA -0.494 nan 4.550 nan 0.000 0.280 806 Y C 2.195 178.062 175.900 -0.055 0.000 1.193 806 Y CA 3.581 61.647 58.100 -0.057 0.000 1.157 806 Y CB 0.150 38.584 38.460 -0.042 0.000 0.966 806 Y HN -0.154 8.235 8.280 0.182 0.000 0.511 807 L N -2.636 118.660 121.223 0.122 0.000 2.072 807 L HA -0.427 nan 4.340 nan 0.000 0.205 807 L C 2.123 178.978 176.870 -0.024 0.000 1.079 807 L CA 2.612 57.478 54.840 0.044 0.000 0.752 807 L CB -0.458 41.647 42.059 0.076 0.000 0.906 807 L HN 0.314 8.649 8.230 0.188 0.008 0.436 808 A N -0.944 121.852 122.820 -0.040 0.000 1.969 808 A HA -0.280 nan 4.320 nan 0.000 0.218 808 A C 2.028 179.496 177.584 -0.193 0.000 1.169 808 A CA 2.963 54.966 52.037 -0.057 0.000 0.635 808 A CB -0.843 18.121 19.000 -0.060 0.000 0.810 808 A HN 0.385 8.410 8.150 -0.031 0.106 0.445 809 R N -2.868 117.476 120.500 -0.260 0.000 2.134 809 R HA -0.333 nan 4.340 nan 0.000 0.248 809 R C 1.815 177.923 176.300 -0.320 0.000 1.143 809 R CA 2.583 58.450 56.100 -0.387 0.000 0.957 809 R CB -0.687 29.442 30.300 -0.286 0.000 0.867 809 R HN -0.154 7.999 8.270 -0.184 0.007 0.441 810 K N -4.618 115.702 120.400 -0.134 0.000 2.242 810 K HA 0.124 nan 4.320 nan 0.000 0.200 810 K C 0.792 177.482 176.600 0.150 0.000 1.050 810 K CA 0.602 56.887 56.287 -0.003 0.000 0.981 810 K CB 0.609 33.075 32.500 -0.056 0.000 0.795 810 K HN -0.358 7.665 8.250 -0.139 0.144 0.477 811 A N -1.943 120.963 122.820 0.142 0.000 2.348 811 A HA 0.325 nan 4.320 nan 0.000 0.224 811 A C 1.133 178.870 177.584 0.256 0.000 1.227 811 A CA 0.336 52.473 52.037 0.166 0.000 0.885 811 A CB 0.262 19.312 19.000 0.084 0.000 0.933 811 A HN -0.337 7.737 8.150 0.057 0.110 0.506 812 F N -1.935 118.003 119.950 -0.020 0.000 2.065 812 F HA -0.517 nan 4.527 nan 0.000 0.298 812 F C 0.697 176.488 175.800 -0.015 0.000 1.112 812 F CA 1.739 59.729 58.000 -0.017 0.000 1.212 812 F CB -0.874 38.115 39.000 -0.018 0.000 0.975 812 F HN -0.498 8.207 8.300 0.675 0.000 0.476 813 A N 0.338 122.972 122.820 -0.310 0.000 4.346 813 A HA -0.628 nan 4.320 nan 0.000 0.347 813 A C 1.377 178.844 177.584 -0.194 0.000 1.963 813 A CA 2.517 54.373 52.037 -0.302 0.000 0.814 813 A CB -1.742 17.179 19.000 -0.131 0.000 1.285 813 A HN -0.138 7.710 8.150 -0.601 -0.058 0.412 814 K N 2.873 123.218 120.400 -0.092 0.000 2.081 814 K HA -0.354 nan 4.320 nan 0.000 0.222 814 K C 1.330 177.886 176.600 -0.073 0.000 1.055 814 K CA 2.535 58.782 56.287 -0.067 0.000 0.954 814 K CB -0.392 32.089 32.500 -0.033 0.000 0.732 814 K HN 0.317 8.534 8.250 -0.055 0.000 0.458 815 R N -3.287 117.174 120.500 -0.065 0.000 2.317 815 R HA 0.136 nan 4.340 nan 0.000 0.208 815 R C 0.284 176.538 176.300 -0.077 0.000 0.914 815 R CA -0.483 55.583 56.100 -0.057 0.000 1.060 815 R CB 0.076 30.358 30.300 -0.031 0.000 1.015 815 R HN 0.184 8.420 8.270 -0.057 0.000 0.498 816 Q N 1.350 121.072 119.800 -0.130 0.000 2.892 816 Q HA -0.210 nan 4.340 nan 0.000 0.237 816 Q C -0.221 175.707 176.000 -0.119 0.000 1.157 816 Q CA 1.307 57.020 55.803 -0.151 0.000 0.939 816 Q CB -2.009 26.548 28.738 -0.302 0.000 1.715 816 Q HN 0.104 8.224 8.270 -0.165 0.052 0.451 817 Q N 0.900 120.653 119.800 -0.079 0.000 1.574 817 Q HA -0.014 nan 4.340 nan 0.000 0.144 817 Q C 1.611 177.582 176.000 -0.048 0.000 0.487 817 Q CA 0.134 55.897 55.803 -0.067 0.000 0.812 817 Q CB 0.052 28.746 28.738 -0.074 0.000 0.864 817 Q HN 0.233 8.438 8.270 -0.065 0.027 0.188 818 Q N 1.932 121.706 119.800 -0.044 0.000 2.308 818 Q HA -0.299 nan 4.340 nan 0.000 0.209 818 Q C 1.599 177.580 176.000 -0.032 0.000 0.985 818 Q CA 1.890 57.671 55.803 -0.038 0.000 0.881 818 Q CB -0.294 28.424 28.738 -0.035 0.000 0.917 818 Q HN 0.211 8.454 8.270 -0.045 0.000 0.443 819 L N 1.008 122.214 121.223 -0.028 0.000 1.981 819 L HA -0.509 nan 4.340 nan 0.000 0.237 819 L C 1.444 178.302 176.870 -0.020 0.000 1.095 819 L CA 3.407 58.234 54.840 -0.022 0.000 0.820 819 L CB -0.390 41.657 42.059 -0.019 0.000 0.914 819 L HN -0.277 7.833 8.230 -0.030 0.102 0.442 820 T N -0.699 113.843 114.554 -0.020 0.000 2.962 820 T HA -0.245 nan 4.350 nan 0.000 0.270 820 T C 1.844 176.531 174.700 -0.022 0.000 1.088 820 T CA 4.043 66.132 62.100 -0.018 0.000 1.127 820 T CB -1.054 67.804 68.868 -0.016 0.000 0.883 820 T HN 0.353 8.581 8.240 -0.020 0.000 0.493 821 A N 2.364 125.167 122.820 -0.027 0.000 1.968 821 A HA -0.101 nan 4.320 nan 0.000 0.217 821 A C 1.662 179.227 177.584 -0.032 0.000 1.169 821 A CA 2.860 54.878 52.037 -0.033 0.000 0.638 821 A CB -1.009 17.968 19.000 -0.038 0.000 0.812 821 A HN -0.395 7.687 8.150 -0.028 0.051 0.446 822 M N -0.888 118.695 119.600 -0.028 0.000 2.132 822 M HA -0.325 nan 4.480 nan 0.000 0.263 822 M C 1.934 178.222 176.300 -0.020 0.000 1.065 822 M CA 2.869 58.153 55.300 -0.025 0.000 1.122 822 M CB -0.512 32.074 32.600 -0.023 0.000 1.365 822 M HN 0.361 8.634 8.290 -0.028 0.000 0.411 823 K N -1.170 119.220 120.400 -0.017 0.000 2.211 823 K HA -0.285 nan 4.320 nan 0.000 0.203 823 K C 2.391 178.983 176.600 -0.013 0.000 1.050 823 K CA 3.052 59.332 56.287 -0.012 0.000 0.945 823 K CB -0.275 32.219 32.500 -0.010 0.000 0.732 823 K HN -0.518 7.657 8.250 -0.018 0.063 0.451 824 V N 0.955 120.857 119.914 -0.019 0.000 2.427 824 V HA -0.346 nan 4.120 nan 0.000 0.248 824 V C 1.709 177.787 176.094 -0.027 0.000 1.051 824 V CA 4.130 66.415 62.300 -0.024 0.000 1.048 824 V CB -0.854 30.949 31.823 -0.033 0.000 0.666 824 V HN 0.124 8.080 8.190 -0.022 0.220 0.456 825 I N -1.083 119.470 120.570 -0.028 0.000 2.248 825 I HA -0.710 nan 4.170 nan 0.000 0.248 825 I C 1.968 178.081 176.117 -0.007 0.000 1.107 825 I CA 4.272 65.558 61.300 -0.024 0.000 1.373 825 I CB -0.733 37.250 38.000 -0.027 0.000 1.055 825 I HN 0.104 8.223 8.210 -0.029 0.073 0.418 826 Q N -1.251 118.546 119.800 -0.005 0.000 2.083 826 Q HA -0.333 nan 4.340 nan 0.000 0.198 826 Q C 2.462 178.469 176.000 0.012 0.000 0.969 826 Q CA 3.329 59.135 55.803 0.005 0.000 0.838 826 Q CB -0.412 28.328 28.738 0.002 0.000 0.900 826 Q HN -0.476 7.685 8.270 -0.010 0.103 0.436 827 R N -0.283 120.220 120.500 0.005 0.000 2.096 827 R HA -0.442 nan 4.340 nan 0.000 0.240 827 R C 2.532 178.839 176.300 0.012 0.000 1.139 827 R CA 3.752 59.858 56.100 0.009 0.000 0.952 827 R CB -0.426 29.874 30.300 0.000 0.000 0.854 827 R HN -0.053 8.160 8.270 -0.001 0.057 0.436 828 N N -0.546 118.153 118.700 -0.002 0.000 2.058 828 N HA -0.256 nan 4.740 nan 0.000 0.191 828 N C 2.632 178.178 175.510 0.061 0.000 1.037 828 N CA 2.979 56.027 53.050 -0.004 0.000 0.848 828 N CB 0.179 38.654 38.487 -0.019 0.000 1.021 828 N HN 0.069 8.233 8.380 -0.007 0.212 0.422 829 C N 0.116 119.460 119.300 0.074 0.000 2.432 829 C HA -0.231 nan 4.460 nan 0.000 0.277 829 C C 2.270 177.324 174.990 0.106 0.000 1.249 829 C CA 3.476 62.563 59.018 0.115 0.000 1.725 829 C CB -1.887 25.889 27.740 0.061 0.000 2.028 829 C HN 0.330 8.395 8.230 0.042 0.190 0.477 830 A N -0.762 122.097 122.820 0.065 0.000 2.024 830 A HA -0.287 nan 4.320 nan 0.000 0.220 830 A C 0.689 178.309 177.584 0.060 0.000 1.164 830 A CA 3.049 55.120 52.037 0.057 0.000 0.643 830 A CB -0.804 18.220 19.000 0.041 0.000 0.806 830 A HN 0.369 8.548 8.150 0.050 0.000 0.451 831 A N -4.152 118.704 122.820 0.061 0.000 2.348 831 A HA 0.225 nan 4.320 nan 0.000 0.224 831 A C 0.750 178.342 177.584 0.013 0.000 1.227 831 A CA -0.286 51.783 52.037 0.053 0.000 0.885 831 A CB -0.633 18.410 19.000 0.071 0.000 0.933 831 A HN -0.338 7.744 8.150 0.058 0.102 0.506 832 Y N 1.962 122.281 120.300 0.031 0.000 2.139 832 Y HA -0.490 nan 4.550 nan 0.000 0.282 832 Y C 0.962 176.898 175.900 0.059 0.000 1.179 832 Y CA 3.626 61.742 58.100 0.028 0.000 1.161 832 Y CB 0.066 38.532 38.460 0.010 0.000 0.970 832 Y HN -0.117 8.090 8.280 0.154 0.166 0.511 833 L N -4.460 116.681 121.223 -0.138 0.000 2.123 833 L HA -0.430 nan 4.340 nan 0.000 0.217 833 L C 0.625 177.416 176.870 -0.131 0.000 1.081 833 L CA 2.164 56.950 54.840 -0.090 0.000 0.772 833 L CB -1.451 40.616 42.059 0.014 0.000 0.890 833 L HN 0.237 8.502 8.230 0.058 0.000 0.437 834 K N -4.841 115.498 120.400 -0.103 0.000 3.109 834 K HA 0.179 nan 4.320 nan 0.000 0.214 834 K C -0.759 175.878 176.600 0.062 0.000 1.196 834 K CA -0.713 55.576 56.287 0.003 0.000 1.115 834 K CB -0.682 31.865 32.500 0.078 0.000 1.103 834 K HN -0.341 7.728 8.250 -0.082 0.131 0.467 835 L N -0.802 120.292 121.223 -0.216 0.000 2.783 835 L HA 0.093 nan 4.340 nan 0.000 0.174 835 L C -0.569 176.305 176.870 0.007 0.000 1.235 835 L CA 0.526 55.262 54.840 -0.174 0.000 0.862 835 L CB 1.771 43.609 42.059 -0.368 0.000 1.249 835 L HN 0.284 8.166 8.230 -0.503 0.047 0.518 836 R N 0.594 121.052 120.500 -0.070 0.000 2.710 836 R HA -0.223 nan 4.340 nan 0.000 0.301 836 R C -0.902 175.559 176.300 0.268 0.000 1.331 836 R CA 1.588 57.815 56.100 0.212 0.000 0.996 836 R CB -1.603 28.855 30.300 0.263 0.000 1.075 836 R HN 0.124 8.236 8.270 -0.263 0.000 0.500 837 N N 1.129 120.105 118.700 0.459 0.000 3.834 837 N HA -0.093 nan 4.740 nan 0.000 0.110 837 N C -2.119 173.663 175.510 0.452 0.000 0.844 837 N CA 0.085 53.336 53.050 0.336 0.000 3.229 837 N CB 0.460 39.063 38.487 0.194 0.000 1.247 837 N HN -0.177 8.611 8.380 0.680 0.000 0.810 838 W N 0.325 121.857 121.300 0.387 0.000 2.554 838 W HA 0.213 nan 4.660 nan 0.000 0.324 838 W C -0.162 176.574 176.519 0.362 0.000 1.018 838 W CA -1.206 56.324 57.345 0.308 0.000 1.243 838 W CB 1.462 31.005 29.460 0.139 0.000 1.345 838 W HN -0.318 8.409 8.180 0.911 0.000 0.441 839 Q N 4.137 123.774 119.800 -0.271 0.000 2.032 839 Q HA -0.440 nan 4.340 nan 0.000 0.217 839 Q C 0.469 176.424 176.000 -0.074 0.000 1.058 839 Q CA 2.595 58.229 55.803 -0.283 0.000 0.911 839 Q CB -0.587 27.840 28.738 -0.518 0.000 1.045 839 Q HN 0.306 8.168 8.270 -0.680 0.000 0.429 840 W N 0.425 121.818 121.300 0.156 0.000 2.060 840 W HA 0.109 nan 4.660 nan 0.000 0.347 840 W C -0.729 175.975 176.519 0.309 0.000 0.831 840 W CA -1.170 56.289 57.345 0.189 0.000 1.590 840 W CB -0.991 28.549 29.460 0.134 0.000 1.737 840 W HN -0.001 8.482 8.180 0.506 0.000 0.329 841 W N 4.483 125.947 121.300 0.272 0.000 2.857 841 W HA 0.028 nan 4.660 nan 0.000 0.301 841 W C 0.156 176.796 176.519 0.200 0.000 1.047 841 W CA 1.022 58.507 57.345 0.233 0.000 1.671 841 W CB 0.527 30.089 29.460 0.170 0.000 1.225 841 W HN -0.099 8.377 8.180 0.494 0.000 0.501 842 R N -2.031 118.810 120.500 0.569 0.000 2.373 842 R HA 0.086 nan 4.340 nan 0.000 0.221 842 R C 0.552 177.024 176.300 0.285 0.000 0.893 842 R CA -0.171 56.173 56.100 0.407 0.000 1.049 842 R CB -0.227 30.282 30.300 0.349 0.000 1.119 842 R HN -0.032 8.517 8.270 0.466 0.000 0.535 843 L N -0.095 121.279 121.223 0.252 0.000 2.855 843 L HA -0.102 nan 4.340 nan 0.000 0.257 843 L C -0.202 176.834 176.870 0.277 0.000 1.206 843 L CA 0.483 55.445 54.840 0.203 0.000 1.042 843 L CB -0.842 41.291 42.059 0.124 0.000 1.321 843 L HN -0.401 7.989 8.230 0.266 0.000 0.417 844 F N -0.595 119.431 119.950 0.127 0.000 2.653 844 F HA 0.133 nan 4.527 nan 0.000 0.288 844 F C 1.048 176.893 175.800 0.074 0.000 1.121 844 F CA 0.145 58.205 58.000 0.099 0.000 1.384 844 F CB 1.222 40.282 39.000 0.101 0.000 1.115 844 F HN -0.216 8.226 8.300 0.402 0.099 0.599 845 T N -5.183 109.494 114.554 0.204 0.000 3.044 845 T HA 0.122 nan 4.350 nan 0.000 0.260 845 T C 0.749 175.475 174.700 0.042 0.000 1.019 845 T CA 0.081 62.211 62.100 0.050 0.000 0.921 845 T CB 0.444 69.329 68.868 0.028 0.000 1.053 845 T HN -0.510 7.865 8.240 0.225 0.000 0.533 846 K N 2.955 123.396 120.400 0.068 0.000 2.044 846 K HA 0.006 nan 4.320 nan 0.000 0.204 846 K C 1.103 177.725 176.600 0.037 0.000 1.045 846 K CA 0.903 57.217 56.287 0.046 0.000 0.951 846 K CB 0.171 32.699 32.500 0.047 0.000 0.738 846 K HN -0.053 8.254 8.250 0.096 0.000 0.443 847 V N 1.825 121.769 119.914 0.050 0.000 2.157 847 V HA -0.022 nan 4.120 nan 0.000 0.241 847 V C -0.733 175.388 176.094 0.045 0.000 1.349 847 V CA 0.764 63.091 62.300 0.045 0.000 1.319 847 V CB -1.875 29.980 31.823 0.053 0.000 1.421 847 V HN -0.152 8.075 8.190 0.062 0.000 0.501 848 K N 3.681 124.087 120.400 0.010 0.000 2.608 848 K HA 0.252 nan 4.320 nan 0.000 0.209 848 K C -1.009 175.569 176.600 -0.037 0.000 1.369 848 K CA -0.204 56.064 56.287 -0.032 0.000 1.029 848 K CB 0.516 32.949 32.500 -0.111 0.000 1.139 848 K HN -0.006 8.178 8.250 0.009 0.072 0.623 849 P HA -0.056 nan 4.420 nan 0.000 0.218 849 P C 0.798 178.095 177.300 -0.006 0.000 1.152 849 P CA 1.491 64.583 63.100 -0.013 0.000 0.826 849 P CB 0.192 31.889 31.700 -0.006 0.000 0.790 850 L N -4.052 117.172 121.223 0.003 0.000 2.675 850 L HA -0.066 nan 4.340 nan 0.000 0.238 850 L C -0.875 176.001 176.870 0.009 0.000 1.155 850 L CA 0.414 55.258 54.840 0.008 0.000 0.881 850 L CB -0.612 41.455 42.059 0.013 0.000 1.008 850 L HN -0.003 8.230 8.230 0.006 0.000 0.443 851 L N -1.401 119.825 121.223 0.006 0.000 2.381 851 L HA 0.270 nan 4.340 nan 0.000 0.268 851 L C -0.895 175.977 176.870 0.003 0.000 0.997 851 L CA -1.491 53.355 54.840 0.010 0.000 0.818 851 L CB 1.212 43.284 42.059 0.021 0.000 1.310 851 L HN -0.679 7.460 8.230 -0.002 0.090 0.416 852 Q N 1.692 121.495 119.800 0.006 0.000 2.340 852 Q HA 0.239 nan 4.340 nan 0.000 0.268 852 Q C -0.544 175.459 176.000 0.006 0.000 1.031 852 Q CA -0.364 55.440 55.803 0.001 0.000 0.804 852 Q CB 1.201 29.938 28.738 -0.001 0.000 1.286 852 Q HN 0.357 8.633 8.270 0.010 0.000 0.448 853 S N 1.192 116.894 115.700 0.003 0.000 3.765 853 S HA -0.218 nan 4.470 nan 0.000 0.144 853 S C -0.794 173.812 174.600 0.009 0.000 1.018 853 S CA 0.195 58.399 58.200 0.006 0.000 0.953 853 S CB -0.112 63.096 63.200 0.013 0.000 0.856 853 S HN 0.207 8.516 8.310 -0.002 0.000 0.721 854 A N 0.880 123.703 122.820 0.005 0.000 5.519 854 A HA -0.267 nan 4.320 nan 0.000 0.421 854 A C 1.058 178.643 177.584 0.002 0.000 1.640 854 A CA 1.643 53.677 52.037 -0.005 0.000 1.116 854 A CB -0.829 18.161 19.000 -0.017 0.000 1.482 854 A HN -0.260 7.894 8.150 0.006 0.000 0.506 855 E N -0.577 119.620 120.200 -0.005 0.000 2.076 855 E HA -0.050 nan 4.350 nan 0.000 0.190 855 E C 2.064 178.667 176.600 0.005 0.000 0.979 855 E CA 1.279 57.680 56.400 0.002 0.000 0.807 855 E CB 0.571 30.269 29.700 -0.004 0.000 0.761 855 E HN 0.254 8.706 8.360 -0.012 -0.099 0.454 856 R N -2.695 117.804 120.500 -0.001 0.000 3.988 856 R HA -0.439 nan 4.340 nan 0.000 0.317 856 R C 2.285 178.583 176.300 -0.003 0.000 0.848 856 R CA 2.939 59.037 56.100 -0.003 0.000 1.682 856 R CB -0.749 29.549 30.300 -0.003 0.000 2.014 856 R HN -0.073 8.525 8.270 -0.004 -0.330 0.478 857 E N -1.937 118.265 120.200 0.002 0.000 2.166 857 E HA -0.025 nan 4.350 nan 0.000 0.192 857 E C 1.678 178.279 176.600 0.001 0.000 0.967 857 E CA 1.844 58.245 56.400 0.001 0.000 0.840 857 E CB -0.145 29.558 29.700 0.004 0.000 0.795 857 E HN -0.050 8.239 8.360 0.006 0.074 0.470 858 K N -0.326 120.076 120.400 0.004 0.000 2.044 858 K HA -0.358 nan 4.320 nan 0.000 0.210 858 K C 2.176 178.777 176.600 0.002 0.000 1.049 858 K CA 3.828 60.117 56.287 0.003 0.000 0.927 858 K CB -0.295 32.208 32.500 0.005 0.000 0.713 858 K HN -0.611 7.642 8.250 0.006 0.000 0.443 859 E N -1.107 119.093 120.200 -0.000 0.000 2.005 859 E HA -0.355 nan 4.350 nan 0.000 0.198 859 E C 2.136 178.732 176.600 -0.007 0.000 1.010 859 E CA 2.801 59.200 56.400 -0.003 0.000 0.825 859 E CB -0.353 29.342 29.700 -0.008 0.000 0.769 859 E HN 0.026 8.412 8.360 -0.000 -0.025 0.456 860 M N -0.543 119.049 119.600 -0.013 0.000 2.204 860 M HA -0.543 nan 4.480 nan 0.000 0.255 860 M C 1.867 178.158 176.300 -0.014 0.000 1.073 860 M CA 3.565 58.853 55.300 -0.020 0.000 1.084 860 M CB 0.044 32.633 32.600 -0.018 0.000 1.289 860 M HN -0.030 8.126 8.290 -0.011 0.128 0.419 861 A N -3.350 119.467 122.820 -0.005 0.000 1.858 861 A HA -0.315 nan 4.320 nan 0.000 0.216 861 A C 1.876 179.466 177.584 0.009 0.000 1.190 861 A CA 3.186 55.224 52.037 0.002 0.000 0.617 861 A CB -0.942 18.061 19.000 0.004 0.000 0.827 861 A HN -0.286 7.861 8.150 -0.004 0.000 0.443 862 S N -1.241 114.465 115.700 0.010 0.000 2.515 862 S HA -0.163 nan 4.470 nan 0.000 0.231 862 S C 2.086 176.700 174.600 0.024 0.000 0.987 862 S CA 3.160 61.371 58.200 0.017 0.000 0.936 862 S CB -0.408 62.801 63.200 0.014 0.000 0.766 862 S HN -0.371 7.943 8.310 0.006 0.000 0.528 863 M N 2.415 122.023 119.600 0.013 0.000 2.236 863 M HA -0.304 nan 4.480 nan 0.000 0.266 863 M C 1.177 177.499 176.300 0.036 0.000 1.070 863 M CA 4.098 59.406 55.300 0.014 0.000 1.137 863 M CB 0.037 32.623 32.600 -0.024 0.000 1.378 863 M HN 0.418 8.467 8.290 0.002 0.242 0.426 864 K N -1.152 119.260 120.400 0.020 0.000 2.026 864 K HA -0.338 nan 4.320 nan 0.000 0.208 864 K C 2.665 179.334 176.600 0.114 0.000 1.048 864 K CA 2.778 59.099 56.287 0.056 0.000 0.929 864 K CB -0.920 31.596 32.500 0.027 0.000 0.713 864 K HN -0.542 7.710 8.250 0.003 0.000 0.439 865 E N -1.070 119.174 120.200 0.073 0.000 2.085 865 E HA -0.366 nan 4.350 nan 0.000 0.194 865 E C 2.357 179.006 176.600 0.083 0.000 0.994 865 E CA 2.954 59.395 56.400 0.068 0.000 0.801 865 E CB -0.199 29.527 29.700 0.042 0.000 0.743 865 E HN -0.590 7.800 8.360 0.050 0.000 0.453 866 E N -0.533 119.720 120.200 0.089 0.000 2.153 866 E HA -0.266 nan 4.350 nan 0.000 0.194 866 E C 1.954 178.646 176.600 0.154 0.000 0.988 866 E CA 2.404 58.862 56.400 0.097 0.000 0.811 866 E CB -0.392 29.357 29.700 0.080 0.000 0.746 866 E HN -0.281 7.941 8.360 0.075 0.182 0.466 867 F N -0.962 118.989 119.950 0.002 0.000 2.102 867 F HA -0.303 nan 4.527 nan 0.000 0.298 867 F C 1.652 177.453 175.800 0.002 0.000 1.105 867 F CA 3.084 61.086 58.000 0.002 0.000 1.239 867 F CB 0.088 39.089 39.000 0.002 0.000 0.991 867 F HN 0.104 8.460 8.300 0.288 0.117 0.474 868 T N -1.724 112.865 114.554 0.059 0.000 2.732 868 T HA -0.349 nan 4.350 nan 0.000 0.261 868 T C 1.975 176.638 174.700 -0.061 0.000 1.040 868 T CA 3.306 65.371 62.100 -0.058 0.000 1.145 868 T CB -0.526 68.349 68.868 0.011 0.000 0.866 868 T HN -0.638 7.707 8.240 0.175 0.000 0.427 869 R N 2.536 123.031 120.500 -0.009 0.000 2.112 869 R HA -0.411 nan 4.340 nan 0.000 0.242 869 R C 1.882 178.167 176.300 -0.025 0.000 1.137 869 R CA 3.365 59.459 56.100 -0.009 0.000 0.944 869 R CB -0.233 30.074 30.300 0.012 0.000 0.857 869 R HN -0.744 7.539 8.270 0.022 0.000 0.435 870 L N -3.234 117.976 121.223 -0.022 0.000 2.081 870 L HA -0.382 nan 4.340 nan 0.000 0.212 870 L C 2.064 178.893 176.870 -0.068 0.000 1.080 870 L CA 2.898 57.720 54.840 -0.030 0.000 0.754 870 L CB -0.522 41.534 42.059 -0.005 0.000 0.893 870 L HN -0.145 8.086 8.230 0.001 0.000 0.433 871 K N -1.254 119.070 120.400 -0.126 0.000 1.985 871 K HA -0.395 nan 4.320 nan 0.000 0.210 871 K C 2.245 178.796 176.600 -0.083 0.000 1.047 871 K CA 3.405 59.609 56.287 -0.138 0.000 0.932 871 K CB -0.442 31.929 32.500 -0.216 0.000 0.716 871 K HN -0.631 7.433 8.250 -0.155 0.093 0.439 872 E N -0.887 119.272 120.200 -0.067 0.000 2.097 872 E HA -0.392 nan 4.350 nan 0.000 0.196 872 E C 2.446 179.028 176.600 -0.030 0.000 1.000 872 E CA 2.851 59.226 56.400 -0.042 0.000 0.804 872 E CB -0.257 29.424 29.700 -0.031 0.000 0.740 872 E HN -0.466 7.849 8.360 -0.075 0.000 0.454 873 A N -1.906 120.899 122.820 -0.027 0.000 1.968 873 A HA -0.118 nan 4.320 nan 0.000 0.217 873 A C 1.545 179.119 177.584 -0.016 0.000 1.169 873 A CA 2.555 54.582 52.037 -0.016 0.000 0.638 873 A CB -0.329 18.664 19.000 -0.011 0.000 0.812 873 A HN -0.396 7.712 8.150 -0.031 0.023 0.446 874 L N -1.567 119.642 121.223 -0.024 0.000 2.027 874 L HA -0.255 nan 4.340 nan 0.000 0.206 874 L C 1.537 178.394 176.870 -0.021 0.000 1.074 874 L CA 2.373 57.200 54.840 -0.022 0.000 0.745 874 L CB -0.273 41.768 42.059 -0.029 0.000 0.898 874 L HN -0.728 7.483 8.230 -0.031 0.000 0.433 875 E N -1.043 119.141 120.200 -0.027 0.000 2.026 875 E HA -0.541 nan 4.350 nan 0.000 0.206 875 E C 2.291 178.882 176.600 -0.016 0.000 1.028 875 E CA 3.454 59.840 56.400 -0.024 0.000 0.845 875 E CB -0.323 29.360 29.700 -0.028 0.000 0.772 875 E HN -0.319 8.021 8.360 -0.035 0.000 0.462 876 K N -4.909 115.483 120.400 -0.013 0.000 2.616 876 K HA -0.195 nan 4.320 nan 0.000 0.192 876 K C 0.800 177.396 176.600 -0.006 0.000 1.031 876 K CA 1.327 57.609 56.287 -0.008 0.000 1.004 876 K CB -0.582 31.915 32.500 -0.006 0.000 0.810 876 K HN -0.657 7.584 8.250 -0.015 0.000 0.497 877 S N 0.031 115.727 115.700 -0.007 0.000 2.694 877 S HA 0.055 nan 4.470 nan 0.000 0.225 877 S C 1.249 175.847 174.600 -0.005 0.000 1.012 877 S CA 2.471 60.669 58.200 -0.004 0.000 0.896 877 S CB 1.139 64.337 63.200 -0.003 0.000 0.838 877 S HN -0.358 7.750 8.310 -0.010 0.195 0.604 878 E N 2.569 122.765 120.200 -0.007 0.000 2.265 878 E HA -0.252 nan 4.350 nan 0.000 0.196 878 E C 1.511 178.108 176.600 -0.005 0.000 0.996 878 E CA 2.347 58.744 56.400 -0.006 0.000 0.832 878 E CB -0.264 29.432 29.700 -0.008 0.000 0.756 878 E HN -0.195 8.159 8.360 -0.009 0.000 0.491 879 A N -1.981 120.836 122.820 -0.006 0.000 1.984 879 A HA 0.045 nan 4.320 nan 0.000 0.214 879 A C 1.634 179.216 177.584 -0.003 0.000 1.173 879 A CA 2.287 54.321 52.037 -0.005 0.000 0.673 879 A CB -0.332 18.664 19.000 -0.006 0.000 0.830 879 A HN -0.452 7.639 8.150 -0.007 0.054 0.453 880 R N -0.149 120.350 120.500 -0.002 0.000 2.096 880 R HA -0.330 nan 4.340 nan 0.000 0.235 880 R C 1.973 178.273 176.300 0.001 0.000 1.127 880 R CA 3.142 59.242 56.100 -0.000 0.000 0.968 880 R CB -0.210 30.090 30.300 0.000 0.000 0.861 880 R HN -0.293 7.869 8.270 -0.003 0.106 0.440 881 R N -1.444 119.057 120.500 0.000 0.000 2.091 881 R HA -0.320 nan 4.340 nan 0.000 0.238 881 R C 2.154 178.454 176.300 0.001 0.000 1.136 881 R CA 4.019 60.120 56.100 0.001 0.000 0.959 881 R CB -0.097 30.203 30.300 0.000 0.000 0.856 881 R HN -0.027 8.233 8.270 -0.001 0.009 0.437 882 K N -2.396 118.004 120.400 -0.000 0.000 2.155 882 K HA -0.260 nan 4.320 nan 0.000 0.203 882 K C 2.246 178.846 176.600 0.000 0.000 1.052 882 K CA 3.099 59.385 56.287 -0.000 0.000 0.948 882 K CB -0.456 32.043 32.500 -0.001 0.000 0.728 882 K HN -0.570 7.554 8.250 -0.001 0.126 0.448 883 E N 0.602 120.802 120.200 0.000 0.000 2.038 883 E HA -0.370 nan 4.350 nan 0.000 0.195 883 E C 2.355 178.956 176.600 0.002 0.000 1.000 883 E CA 2.986 59.387 56.400 0.001 0.000 0.803 883 E CB -0.235 29.466 29.700 0.001 0.000 0.750 883 E HN -0.599 7.761 8.360 0.000 0.000 0.448 884 L N -1.176 120.049 121.223 0.003 0.000 2.191 884 L HA -0.325 nan 4.340 nan 0.000 0.212 884 L C 1.755 178.627 176.870 0.004 0.000 1.103 884 L CA 2.824 57.666 54.840 0.004 0.000 0.769 884 L CB -0.247 41.815 42.059 0.005 0.000 0.908 884 L HN -0.534 7.698 8.230 0.003 0.000 0.438 885 E N -1.086 119.115 120.200 0.002 0.000 2.072 885 E HA -0.421 nan 4.350 nan 0.000 0.191 885 E C 2.034 178.635 176.600 0.002 0.000 0.985 885 E CA 3.379 59.781 56.400 0.002 0.000 0.801 885 E CB -0.420 29.280 29.700 0.001 0.000 0.750 885 E HN -0.029 8.227 8.360 0.002 0.105 0.452 886 E N 0.145 120.346 120.200 0.001 0.000 2.058 886 E HA -0.350 nan 4.350 nan 0.000 0.194 886 E C 2.187 178.789 176.600 0.002 0.000 0.997 886 E CA 3.150 59.551 56.400 0.001 0.000 0.801 886 E CB -0.134 29.566 29.700 0.001 0.000 0.746 886 E HN -0.010 8.351 8.360 0.001 0.000 0.450 887 K N -1.481 118.921 120.400 0.003 0.000 2.103 887 K HA -0.325 nan 4.320 nan 0.000 0.207 887 K C 2.847 179.450 176.600 0.005 0.000 1.048 887 K CA 2.815 59.104 56.287 0.004 0.000 0.930 887 K CB -0.327 32.176 32.500 0.005 0.000 0.716 887 K HN -0.254 7.998 8.250 0.003 0.000 0.444 888 M N -0.205 119.398 119.600 0.004 0.000 2.067 888 M HA -0.277 nan 4.480 nan 0.000 0.260 888 M C 1.990 178.292 176.300 0.003 0.000 1.069 888 M CA 2.727 58.030 55.300 0.004 0.000 1.117 888 M CB -0.537 32.066 32.600 0.004 0.000 1.334 888 M HN -0.403 7.790 8.290 0.004 0.099 0.407 889 V N -0.623 119.293 119.914 0.002 0.000 2.392 889 V HA -0.540 nan 4.120 nan 0.000 0.249 889 V C 2.026 178.121 176.094 0.002 0.000 1.059 889 V CA 4.522 66.822 62.300 0.001 0.000 1.051 889 V CB -1.454 30.369 31.823 0.001 0.000 0.658 889 V HN -0.287 7.905 8.190 0.002 0.000 0.455 890 S N -0.130 115.572 115.700 0.003 0.000 2.359 890 S HA -0.428 nan 4.470 nan 0.000 0.222 890 S C 1.877 176.479 174.600 0.004 0.000 1.038 890 S CA 3.649 61.851 58.200 0.003 0.000 1.051 890 S CB -0.100 63.102 63.200 0.004 0.000 0.944 890 S HN -0.440 7.870 8.310 0.003 0.001 0.433 891 L N 1.537 122.763 121.223 0.006 0.000 2.093 891 L HA -0.308 nan 4.340 nan 0.000 0.208 891 L C 1.738 178.612 176.870 0.006 0.000 1.085 891 L CA 2.759 57.603 54.840 0.007 0.000 0.755 891 L CB -0.073 41.991 42.059 0.009 0.000 0.904 891 L HN -0.664 7.570 8.230 0.005 0.000 0.435 892 L N -1.646 119.579 121.223 0.004 0.000 2.043 892 L HA -0.578 nan 4.340 nan 0.000 0.212 892 L C 2.250 179.121 176.870 0.001 0.000 1.075 892 L CA 3.340 58.181 54.840 0.002 0.000 0.752 892 L CB -0.684 41.376 42.059 -0.000 0.000 0.891 892 L HN 0.283 8.516 8.230 0.004 0.000 0.432 893 Q N -1.193 118.608 119.800 0.002 0.000 2.084 893 Q HA -0.398 nan 4.340 nan 0.000 0.202 893 Q C 2.117 178.119 176.000 0.002 0.000 0.978 893 Q CA 3.041 58.845 55.803 0.001 0.000 0.844 893 Q CB -0.543 28.195 28.738 0.002 0.000 0.898 893 Q HN 0.137 8.224 8.270 0.002 0.185 0.426 894 E N -0.414 119.789 120.200 0.004 0.000 2.051 894 E HA -0.411 nan 4.350 nan 0.000 0.192 894 E C 1.935 178.539 176.600 0.005 0.000 0.991 894 E CA 2.871 59.274 56.400 0.005 0.000 0.799 894 E CB -0.062 29.643 29.700 0.007 0.000 0.748 894 E HN -0.043 8.246 8.360 0.004 0.073 0.449 895 K N -1.041 119.362 120.400 0.005 0.000 2.044 895 K HA -0.395 nan 4.320 nan 0.000 0.210 895 K C 2.339 178.940 176.600 0.001 0.000 1.049 895 K CA 3.470 59.760 56.287 0.004 0.000 0.927 895 K CB -0.250 32.251 32.500 0.002 0.000 0.713 895 K HN 0.234 8.381 8.250 0.005 0.106 0.443 896 N N -1.201 117.499 118.700 0.000 0.000 2.244 896 N HA -0.269 nan 4.740 nan 0.000 0.183 896 N C 2.145 177.655 175.510 0.000 0.000 1.016 896 N CA 3.320 56.370 53.050 -0.001 0.000 0.866 896 N CB -0.255 38.231 38.487 -0.002 0.000 0.980 896 N HN -0.175 8.123 8.380 0.001 0.083 0.430 897 D N 0.821 121.222 120.400 0.002 0.000 2.149 897 D HA -0.207 nan 4.640 nan 0.000 0.201 897 D C 2.158 178.460 176.300 0.002 0.000 0.972 897 D CA 3.029 57.031 54.000 0.002 0.000 0.835 897 D CB -0.557 40.245 40.800 0.003 0.000 0.966 897 D HN 0.086 8.375 8.370 0.002 0.082 0.476 898 L N 0.193 121.418 121.223 0.004 0.000 2.017 898 L HA -0.417 nan 4.340 nan 0.000 0.208 898 L C 2.310 179.181 176.870 0.002 0.000 1.073 898 L CA 3.150 57.993 54.840 0.004 0.000 0.745 898 L CB -0.546 41.517 42.059 0.006 0.000 0.894 898 L HN -0.559 7.674 8.230 0.004 0.000 0.432 899 Q N -0.962 118.838 119.800 -0.000 0.000 2.230 899 Q HA -0.246 nan 4.340 nan 0.000 0.202 899 Q C 2.953 178.951 176.000 -0.003 0.000 0.963 899 Q CA 3.079 58.880 55.803 -0.003 0.000 0.866 899 Q CB 0.051 28.786 28.738 -0.005 0.000 0.931 899 Q HN 0.124 8.394 8.270 0.000 0.000 0.452 900 L N -0.235 120.987 121.223 -0.002 0.000 2.056 900 L HA -0.398 nan 4.340 nan 0.000 0.207 900 L C 1.835 178.704 176.870 -0.001 0.000 1.078 900 L CA 2.990 57.829 54.840 -0.001 0.000 0.749 900 L CB -0.278 41.780 42.059 -0.001 0.000 0.901 900 L HN 0.447 8.556 8.230 -0.001 0.121 0.433 901 Q N -0.004 119.796 119.800 0.000 0.000 2.079 901 Q HA -0.339 nan 4.340 nan 0.000 0.200 901 Q C 2.471 178.471 176.000 0.001 0.000 0.974 901 Q CA 3.634 59.438 55.803 0.001 0.000 0.840 901 Q CB 0.175 28.915 28.738 0.002 0.000 0.898 901 Q HN 0.006 8.169 8.270 0.001 0.107 0.430 902 V N 1.469 121.383 119.914 0.000 0.000 2.250 902 V HA -0.515 nan 4.120 nan 0.000 0.250 902 V C 2.268 178.362 176.094 -0.001 0.000 1.060 902 V CA 4.819 67.119 62.300 -0.001 0.000 1.030 902 V CB -0.704 31.118 31.823 -0.003 0.000 0.643 902 V HN 0.513 8.704 8.190 0.001 0.000 0.445 903 Q N -2.747 117.052 119.800 -0.002 0.000 2.297 903 Q HA -0.250 nan 4.340 nan 0.000 0.204 903 Q C 2.524 178.523 176.000 -0.001 0.000 0.962 903 Q CA 2.250 58.053 55.803 -0.001 0.000 0.879 903 Q CB -0.725 28.012 28.738 -0.002 0.000 0.947 903 Q HN -0.227 7.971 8.270 -0.002 0.070 0.462 904 A N 0.838 123.658 122.820 -0.001 0.000 1.872 904 A HA -0.242 nan 4.320 nan 0.000 0.214 904 A C 2.099 179.683 177.584 -0.000 0.000 1.187 904 A CA 3.407 55.443 52.037 -0.001 0.000 0.614 904 A CB -0.742 18.258 19.000 -0.000 0.000 0.826 904 A HN 0.452 8.393 8.150 -0.001 0.209 0.442 905 E N -1.839 118.361 120.200 0.000 0.000 2.208 905 E HA -0.253 nan 4.350 nan 0.000 0.193 905 E C 2.943 179.544 176.600 0.001 0.000 0.988 905 E CA 2.647 59.047 56.400 0.001 0.000 0.828 905 E CB -0.349 29.352 29.700 0.001 0.000 0.763 905 E HN 0.209 8.372 8.360 0.000 0.197 0.478 906 Q N -1.063 118.737 119.800 0.001 0.000 2.245 906 Q HA -0.204 nan 4.340 nan 0.000 0.201 906 Q C 2.535 178.535 176.000 0.001 0.000 0.955 906 Q CA 2.837 58.641 55.803 0.002 0.000 0.870 906 Q CB 0.050 28.790 28.738 0.004 0.000 0.945 906 Q HN 0.004 8.274 8.270 0.001 0.000 0.461 907 D N 0.621 121.021 120.400 -0.001 0.000 2.234 907 D HA -0.170 nan 4.640 nan 0.000 0.205 907 D C 1.969 178.266 176.300 -0.005 0.000 0.962 907 D CA 3.509 57.508 54.000 -0.003 0.000 0.855 907 D CB -0.239 40.560 40.800 -0.002 0.000 0.951 907 D HN -0.656 7.714 8.370 -0.000 0.000 0.500 908 N N 0.428 119.126 118.700 -0.003 0.000 2.084 908 N HA -0.216 nan 4.740 nan 0.000 0.190 908 N C 2.278 177.785 175.510 -0.005 0.000 1.030 908 N CA 2.880 55.927 53.050 -0.004 0.000 0.849 908 N CB 0.173 38.658 38.487 -0.002 0.000 1.012 908 N HN -0.007 8.372 8.380 -0.002 0.000 0.423 909 L N -0.362 120.859 121.223 -0.003 0.000 2.191 909 L HA -0.196 nan 4.340 nan 0.000 0.212 909 L C 1.062 177.928 176.870 -0.007 0.000 1.103 909 L CA 2.495 57.333 54.840 -0.003 0.000 0.769 909 L CB -0.553 41.507 42.059 0.001 0.000 0.908 909 L HN -0.218 8.011 8.230 -0.002 0.000 0.438 910 A N -0.146 122.668 122.820 -0.009 0.000 1.865 910 A HA -0.437 nan 4.320 nan 0.000 0.217 910 A C 1.956 179.526 177.584 -0.023 0.000 1.191 910 A CA 3.490 55.517 52.037 -0.017 0.000 0.623 910 A CB -1.205 17.786 19.000 -0.015 0.000 0.826 910 A HN -0.122 7.821 8.150 -0.006 0.203 0.444 911 D N -1.977 118.411 120.400 -0.019 0.000 2.178 911 D HA -0.274 nan 4.640 nan 0.000 0.201 911 D C 2.507 178.795 176.300 -0.021 0.000 0.980 911 D CA 3.638 57.626 54.000 -0.021 0.000 0.842 911 D CB 0.115 40.905 40.800 -0.016 0.000 0.948 911 D HN -0.580 7.781 8.370 -0.014 0.000 0.472 912 A N 0.518 123.328 122.820 -0.016 0.000 1.855 912 A HA -0.258 nan 4.320 nan 0.000 0.215 912 A C 1.809 179.382 177.584 -0.018 0.000 1.191 912 A CA 3.194 55.223 52.037 -0.014 0.000 0.613 912 A CB -0.668 18.328 19.000 -0.008 0.000 0.829 912 A HN -0.407 7.658 8.150 -0.013 0.077 0.442 913 E N -1.533 118.656 120.200 -0.018 0.000 2.058 913 E HA -0.464 nan 4.350 nan 0.000 0.194 913 E C 2.291 178.864 176.600 -0.046 0.000 0.997 913 E CA 3.039 59.426 56.400 -0.022 0.000 0.801 913 E CB -0.166 29.523 29.700 -0.019 0.000 0.746 913 E HN 0.078 8.322 8.360 -0.016 0.107 0.450 914 E N -0.611 119.556 120.200 -0.056 0.000 2.048 914 E HA -0.386 nan 4.350 nan 0.000 0.202 914 E C 2.200 178.762 176.600 -0.064 0.000 1.021 914 E CA 2.892 59.248 56.400 -0.072 0.000 0.825 914 E CB -0.339 29.324 29.700 -0.062 0.000 0.756 914 E HN -0.284 8.047 8.360 -0.047 0.000 0.454 915 R N -1.084 119.389 120.500 -0.045 0.000 2.113 915 R HA -0.412 nan 4.340 nan 0.000 0.244 915 R C 2.641 178.918 176.300 -0.039 0.000 1.142 915 R CA 3.201 59.279 56.100 -0.038 0.000 0.953 915 R CB -0.226 30.058 30.300 -0.027 0.000 0.860 915 R HN -0.544 7.703 8.270 -0.039 0.000 0.438 916 C N -0.546 118.734 119.300 -0.034 0.000 2.418 916 C HA -0.349 nan 4.460 nan 0.000 0.280 916 C C 1.892 176.854 174.990 -0.046 0.000 1.223 916 C CA 4.834 63.835 59.018 -0.028 0.000 1.736 916 C CB -1.604 26.129 27.740 -0.012 0.000 2.056 916 C HN -0.304 7.908 8.230 -0.030 0.000 0.459 917 D N -1.158 119.197 120.400 -0.076 0.000 2.182 917 D HA -0.284 nan 4.640 nan 0.000 0.201 917 D C 2.623 178.848 176.300 -0.125 0.000 0.986 917 D CA 3.908 57.828 54.000 -0.132 0.000 0.847 917 D CB -0.408 40.254 40.800 -0.230 0.000 0.942 917 D HN -0.163 8.163 8.370 -0.073 0.000 0.467 918 Q N -0.388 119.354 119.800 -0.097 0.000 2.002 918 Q HA -0.295 nan 4.340 nan 0.000 0.204 918 Q C 2.641 178.610 176.000 -0.052 0.000 0.988 918 Q CA 3.158 58.917 55.803 -0.073 0.000 0.843 918 Q CB -0.029 28.674 28.738 -0.059 0.000 0.908 918 Q HN 0.295 8.506 8.270 -0.093 0.003 0.420 919 L N -1.488 119.710 121.223 -0.041 0.000 2.362 919 L HA -0.282 nan 4.340 nan 0.000 0.219 919 L C 2.682 179.537 176.870 -0.025 0.000 1.134 919 L CA 2.472 57.294 54.840 -0.028 0.000 0.807 919 L CB -0.422 41.623 42.059 -0.023 0.000 0.927 919 L HN 0.076 8.099 8.230 -0.043 0.181 0.447 920 I N 0.688 121.240 120.570 -0.031 0.000 2.193 920 I HA -0.608 nan 4.170 nan 0.000 0.240 920 I C 1.447 177.553 176.117 -0.019 0.000 1.084 920 I CA 4.603 65.890 61.300 -0.023 0.000 1.365 920 I CB -0.469 37.520 38.000 -0.018 0.000 1.064 920 I HN 0.603 8.760 8.210 -0.040 0.029 0.410 921 K N -0.696 119.686 120.400 -0.029 0.000 2.026 921 K HA -0.464 nan 4.320 nan 0.000 0.208 921 K C 2.360 178.960 176.600 -0.001 0.000 1.048 921 K CA 3.641 59.922 56.287 -0.010 0.000 0.929 921 K CB -0.475 32.006 32.500 -0.032 0.000 0.713 921 K HN -0.504 7.715 8.250 -0.052 0.000 0.439 922 N N -1.133 117.559 118.700 -0.013 0.000 2.036 922 N HA -0.320 nan 4.740 nan 0.000 0.195 922 N C 1.845 177.351 175.510 -0.005 0.000 1.037 922 N CA 3.060 56.104 53.050 -0.010 0.000 0.855 922 N CB -0.064 38.413 38.487 -0.016 0.000 1.033 922 N HN 0.039 8.404 8.380 -0.024 0.000 0.423 923 K N -0.332 120.062 120.400 -0.010 0.000 2.057 923 K HA -0.274 nan 4.320 nan 0.000 0.207 923 K C 2.264 178.858 176.600 -0.009 0.000 1.049 923 K CA 2.954 59.233 56.287 -0.012 0.000 0.931 923 K CB -0.041 32.447 32.500 -0.019 0.000 0.714 923 K HN -0.352 7.692 8.250 -0.014 0.198 0.440 924 I N -0.507 120.061 120.570 -0.002 0.000 2.151 924 I HA -0.642 nan 4.170 nan 0.000 0.243 924 I C 2.079 178.216 176.117 0.033 0.000 1.080 924 I CA 4.027 65.334 61.300 0.012 0.000 1.339 924 I CB -0.268 37.767 38.000 0.059 0.000 1.039 924 I HN 0.087 8.222 8.210 -0.001 0.075 0.409 925 Q N -1.954 117.866 119.800 0.034 0.000 2.124 925 Q HA -0.303 nan 4.340 nan 0.000 0.202 925 Q C 2.724 178.735 176.000 0.018 0.000 0.977 925 Q CA 3.234 59.056 55.803 0.031 0.000 0.850 925 Q CB -0.158 28.595 28.738 0.024 0.000 0.901 925 Q HN -0.536 7.752 8.270 0.030 0.000 0.429 926 L N -1.187 120.041 121.223 0.008 0.000 2.109 926 L HA -0.334 nan 4.340 nan 0.000 0.207 926 L C 2.236 179.106 176.870 0.000 0.000 1.086 926 L CA 2.646 57.488 54.840 0.002 0.000 0.760 926 L CB -0.420 41.637 42.059 -0.003 0.000 0.910 926 L HN -0.520 7.565 8.230 0.007 0.149 0.437 927 E N -0.898 119.299 120.200 -0.004 0.000 2.072 927 E HA -0.378 nan 4.350 nan 0.000 0.191 927 E C 2.412 179.014 176.600 0.002 0.000 0.985 927 E CA 3.070 59.466 56.400 -0.008 0.000 0.801 927 E CB -0.236 29.450 29.700 -0.023 0.000 0.750 927 E HN 0.217 8.574 8.360 -0.005 0.000 0.452 928 A N -0.076 122.752 122.820 0.014 0.000 1.851 928 A HA -0.286 nan 4.320 nan 0.000 0.216 928 A C 1.692 179.288 177.584 0.020 0.000 1.195 928 A CA 3.307 55.360 52.037 0.027 0.000 0.622 928 A CB -0.806 18.222 19.000 0.047 0.000 0.831 928 A HN -0.085 8.074 8.150 0.015 0.000 0.444 929 K N -1.939 118.471 120.400 0.017 0.000 2.097 929 K HA -0.286 nan 4.320 nan 0.000 0.206 929 K C 2.286 178.891 176.600 0.008 0.000 1.049 929 K CA 3.166 59.461 56.287 0.013 0.000 0.933 929 K CB 0.125 32.631 32.500 0.010 0.000 0.717 929 K HN -0.225 8.035 8.250 0.017 0.000 0.442 930 V N -0.456 119.461 119.914 0.005 0.000 2.231 930 V HA -0.491 nan 4.120 nan 0.000 0.250 930 V C 1.670 177.766 176.094 0.004 0.000 1.058 930 V CA 4.825 67.126 62.300 0.002 0.000 1.022 930 V CB -0.603 31.219 31.823 -0.001 0.000 0.640 930 V HN -0.178 8.015 8.190 0.005 0.000 0.445 931 K N -1.351 119.053 120.400 0.006 0.000 2.025 931 K HA -0.365 nan 4.320 nan 0.000 0.207 931 K C 1.668 178.274 176.600 0.009 0.000 1.049 931 K CA 3.273 59.564 56.287 0.007 0.000 0.933 931 K CB -0.386 32.119 32.500 0.009 0.000 0.714 931 K HN -0.407 7.742 8.250 0.008 0.106 0.438 932 E N -0.323 119.884 120.200 0.012 0.000 2.070 932 E HA -0.361 nan 4.350 nan 0.000 0.197 932 E C 2.388 178.993 176.600 0.009 0.000 1.004 932 E CA 3.334 59.741 56.400 0.012 0.000 0.805 932 E CB -0.130 29.579 29.700 0.015 0.000 0.744 932 E HN -0.127 8.241 8.360 0.014 0.000 0.451 933 M N -1.899 117.705 119.600 0.007 0.000 2.229 933 M HA -0.334 nan 4.480 nan 0.000 0.264 933 M C 2.390 178.692 176.300 0.004 0.000 1.063 933 M CA 3.560 58.863 55.300 0.005 0.000 1.114 933 M CB -0.198 32.405 32.600 0.004 0.000 1.387 933 M HN -0.021 8.274 8.290 0.007 0.000 0.420 934 N N 0.735 119.437 118.700 0.004 0.000 2.036 934 N HA -0.417 nan 4.740 nan 0.000 0.195 934 N C 2.011 177.523 175.510 0.003 0.000 1.037 934 N CA 3.943 56.995 53.050 0.003 0.000 0.855 934 N CB -0.120 38.368 38.487 0.002 0.000 1.033 934 N HN -0.132 8.173 8.380 0.004 0.077 0.423 935 E N 0.115 120.318 120.200 0.005 0.000 2.038 935 E HA -0.410 nan 4.350 nan 0.000 0.195 935 E C 2.478 179.081 176.600 0.005 0.000 1.000 935 E CA 3.338 59.742 56.400 0.005 0.000 0.803 935 E CB -0.258 29.447 29.700 0.007 0.000 0.750 935 E HN -0.112 8.252 8.360 0.006 0.000 0.448 936 R N -1.168 119.335 120.500 0.005 0.000 2.117 936 R HA -0.336 nan 4.340 nan 0.000 0.243 936 R C 2.699 179.000 176.300 0.003 0.000 1.143 936 R CA 3.211 59.313 56.100 0.004 0.000 0.968 936 R CB -0.317 29.986 30.300 0.005 0.000 0.863 936 R HN -0.469 7.805 8.270 0.006 0.000 0.444 937 L N -0.751 120.474 121.223 0.003 0.000 1.994 937 L HA -0.458 nan 4.340 nan 0.000 0.208 937 L C 1.872 178.743 176.870 0.002 0.000 1.071 937 L CA 3.373 58.214 54.840 0.002 0.000 0.745 937 L CB -0.496 41.564 42.059 0.002 0.000 0.892 937 L HN -0.180 7.950 8.230 0.003 0.102 0.431 938 E N -0.863 119.339 120.200 0.002 0.000 2.085 938 E HA -0.473 nan 4.350 nan 0.000 0.194 938 E C 2.809 179.410 176.600 0.002 0.000 0.994 938 E CA 3.370 59.771 56.400 0.002 0.000 0.801 938 E CB -0.412 29.290 29.700 0.002 0.000 0.743 938 E HN -0.443 7.918 8.360 0.002 0.000 0.453 939 D N -0.523 119.879 120.400 0.003 0.000 2.117 939 D HA -0.231 nan 4.640 nan 0.000 0.197 939 D C 2.495 178.796 176.300 0.002 0.000 0.987 939 D CA 3.799 57.800 54.000 0.003 0.000 0.829 939 D CB -0.164 40.638 40.800 0.003 0.000 0.961 939 D HN 0.074 8.446 8.370 0.003 0.000 0.460 940 E N -0.633 119.568 120.200 0.002 0.000 2.072 940 E HA -0.277 nan 4.350 nan 0.000 0.191 940 E C 2.678 179.279 176.600 0.002 0.000 0.985 940 E CA 2.811 59.212 56.400 0.002 0.000 0.801 940 E CB -0.367 29.334 29.700 0.002 0.000 0.750 940 E HN 0.168 8.424 8.360 0.002 0.106 0.452 941 E N -0.527 119.673 120.200 0.002 0.000 2.130 941 E HA -0.363 nan 4.350 nan 0.000 0.196 941 E C 2.644 179.245 176.600 0.001 0.000 0.998 941 E CA 3.061 59.462 56.400 0.001 0.000 0.806 941 E CB -0.247 29.453 29.700 0.001 0.000 0.738 941 E HN 0.242 8.603 8.360 0.002 0.000 0.459 942 E N -0.596 119.604 120.200 0.002 0.000 2.086 942 E HA -0.154 nan 4.350 nan 0.000 0.190 942 E C 2.309 178.910 176.600 0.002 0.000 0.975 942 E CA 2.076 58.477 56.400 0.002 0.000 0.813 942 E CB 0.117 29.818 29.700 0.002 0.000 0.768 942 E HN -0.636 7.618 8.360 0.002 0.108 0.457 943 M N 0.476 120.077 119.600 0.002 0.000 2.108 943 M HA -0.567 nan 4.480 nan 0.000 0.257 943 M C 2.129 178.430 176.300 0.001 0.000 1.071 943 M CA 4.480 59.781 55.300 0.002 0.000 1.093 943 M CB -0.321 32.280 32.600 0.002 0.000 1.345 943 M HN 0.446 8.629 8.290 0.002 0.108 0.403 944 N N -0.783 117.918 118.700 0.001 0.000 2.036 944 N HA -0.353 nan 4.740 nan 0.000 0.195 944 N C 1.651 177.162 175.510 0.001 0.000 1.037 944 N CA 3.809 56.860 53.050 0.001 0.000 0.855 944 N CB -0.284 38.204 38.487 0.001 0.000 1.033 944 N HN 0.103 8.483 8.380 0.001 0.000 0.423 945 A N -0.460 122.361 122.820 0.001 0.000 1.933 945 A HA -0.192 nan 4.320 nan 0.000 0.218 945 A C 2.092 179.677 177.584 0.001 0.000 1.175 945 A CA 2.863 54.900 52.037 0.001 0.000 0.628 945 A CB -0.776 18.224 19.000 0.001 0.000 0.814 945 A HN -0.471 7.587 8.150 0.001 0.093 0.444 946 E N -0.618 119.583 120.200 0.001 0.000 2.016 946 E HA -0.264 nan 4.350 nan 0.000 0.190 946 E C 2.392 178.992 176.600 0.001 0.000 0.985 946 E CA 2.867 59.268 56.400 0.001 0.000 0.802 946 E CB 0.127 29.828 29.700 0.001 0.000 0.762 946 E HN -0.334 7.941 8.360 0.001 0.086 0.448 947 L N -2.276 118.948 121.223 0.001 0.000 2.127 947 L HA -0.349 nan 4.340 nan 0.000 0.211 947 L C 2.412 179.282 176.870 0.001 0.000 1.089 947 L CA 2.916 57.757 54.840 0.001 0.000 0.757 947 L CB -0.272 41.788 42.059 0.001 0.000 0.899 947 L HN 0.153 8.383 8.230 0.001 0.000 0.434 948 T N 0.486 115.041 114.554 0.001 0.000 2.915 948 T HA -0.252 nan 4.350 nan 0.000 0.269 948 T C 1.556 176.257 174.700 0.001 0.000 1.071 948 T CA 4.691 66.791 62.100 0.001 0.000 1.132 948 T CB -0.807 68.061 68.868 0.001 0.000 0.878 948 T HN -0.331 7.910 8.240 0.001 0.000 0.479 949 A N 1.593 124.413 122.820 0.001 0.000 2.016 949 A HA -0.137 nan 4.320 nan 0.000 0.217 949 A C 1.780 179.365 177.584 0.001 0.000 1.162 949 A CA 2.899 54.937 52.037 0.001 0.000 0.662 949 A CB -0.644 18.357 19.000 0.001 0.000 0.812 949 A HN -0.134 7.872 8.150 0.001 0.144 0.450 950 K N -0.801 119.599 120.400 0.001 0.000 2.001 950 K HA -0.335 nan 4.320 nan 0.000 0.208 950 K C 2.037 178.637 176.600 0.001 0.000 1.048 950 K CA 3.273 59.560 56.287 0.001 0.000 0.932 950 K CB -0.114 32.386 32.500 0.001 0.000 0.715 950 K HN -0.395 7.773 8.250 0.001 0.082 0.437 951 K N -0.961 119.439 120.400 0.001 0.000 2.015 951 K HA -0.411 nan 4.320 nan 0.000 0.216 951 K C 2.242 178.843 176.600 0.001 0.000 1.052 951 K CA 3.284 59.571 56.287 0.001 0.000 0.937 951 K CB -0.063 32.437 32.500 0.001 0.000 0.719 951 K HN 0.124 8.266 8.250 0.001 0.109 0.446 952 R N -2.199 118.302 120.500 0.001 0.000 2.096 952 R HA -0.374 nan 4.340 nan 0.000 0.240 952 R C 2.051 178.351 176.300 0.001 0.000 1.139 952 R CA 3.471 59.572 56.100 0.001 0.000 0.952 952 R CB -0.169 30.131 30.300 0.001 0.000 0.854 952 R HN 0.014 8.166 8.270 0.001 0.118 0.436 953 K N -0.817 119.583 120.400 0.001 0.000 2.152 953 K HA -0.270 nan 4.320 nan 0.000 0.206 953 K C 2.555 179.156 176.600 0.001 0.000 1.048 953 K CA 3.237 59.524 56.287 0.001 0.000 0.933 953 K CB -0.288 32.213 32.500 0.001 0.000 0.721 953 K HN -0.581 7.670 8.250 0.001 0.000 0.447 954 L N -2.096 119.127 121.223 0.001 0.000 2.131 954 L HA -0.310 nan 4.340 nan 0.000 0.206 954 L C 1.785 178.656 176.870 0.001 0.000 1.087 954 L CA 2.645 57.486 54.840 0.001 0.000 0.767 954 L CB -0.137 41.923 42.059 0.001 0.000 0.917 954 L HN -0.451 7.655 8.230 0.001 0.125 0.441 955 E N 0.368 120.569 120.200 0.001 0.000 2.051 955 E HA -0.447 nan 4.350 nan 0.000 0.192 955 E C 2.601 179.201 176.600 0.000 0.000 0.991 955 E CA 3.376 59.776 56.400 0.001 0.000 0.799 955 E CB -0.330 29.370 29.700 0.001 0.000 0.748 955 E HN 0.123 8.406 8.360 0.001 0.077 0.449 956 D N -0.876 119.525 120.400 0.001 0.000 2.106 956 D HA -0.335 nan 4.640 nan 0.000 0.191 956 D C 2.328 178.628 176.300 0.001 0.000 0.997 956 D CA 3.524 57.525 54.000 0.001 0.000 0.834 956 D CB -0.530 40.270 40.800 0.001 0.000 0.956 956 D HN 0.168 8.538 8.370 0.001 0.000 0.448 957 E N -0.069 120.131 120.200 0.001 0.000 2.007 957 E HA -0.301 nan 4.350 nan 0.000 0.194 957 E C 2.300 178.901 176.600 0.000 0.000 0.999 957 E CA 3.001 59.401 56.400 0.001 0.000 0.811 957 E CB 0.202 29.902 29.700 0.001 0.000 0.762 957 E HN -0.567 7.793 8.360 0.001 0.000 0.450 958 C N -1.205 118.096 119.300 0.000 0.000 2.397 958 C HA -0.256 nan 4.460 nan 0.000 0.286 958 C C 2.656 177.646 174.990 0.000 0.000 1.308 958 C CA 3.364 62.382 59.018 0.000 0.000 1.805 958 C CB -2.138 25.603 27.740 0.000 0.000 1.952 958 C HN 0.189 8.419 8.230 0.001 0.000 0.518 959 S N 0.459 116.159 115.700 0.000 0.000 2.362 959 S HA -0.260 nan 4.470 nan 0.000 0.221 959 S C 2.092 176.692 174.600 0.000 0.000 1.032 959 S CA 4.068 62.268 58.200 0.000 0.000 0.973 959 S CB -0.341 62.859 63.200 0.000 0.000 0.849 959 S HN -0.074 8.089 8.310 0.000 0.148 0.465 960 E N 2.953 123.153 120.200 0.000 0.000 2.028 960 E HA -0.162 nan 4.350 nan 0.000 0.191 960 E C 2.416 179.017 176.600 0.000 0.000 0.988 960 E CA 2.396 58.796 56.400 0.000 0.000 0.799 960 E CB -0.340 29.360 29.700 0.000 0.000 0.755 960 E HN -0.561 7.713 8.360 0.000 0.086 0.447 961 L N -1.976 119.248 121.223 0.000 0.000 2.051 961 L HA -0.457 nan 4.340 nan 0.000 0.214 961 L C 2.104 178.974 176.870 0.000 0.000 1.076 961 L CA 3.324 58.164 54.840 0.000 0.000 0.758 961 L CB -0.635 41.424 42.059 0.000 0.000 0.890 961 L HN 0.381 8.612 8.230 0.000 0.000 0.433 962 K N -2.056 118.345 120.400 0.000 0.000 2.057 962 K HA -0.356 nan 4.320 nan 0.000 0.207 962 K C 2.360 178.960 176.600 0.000 0.000 1.049 962 K CA 3.501 59.788 56.287 0.000 0.000 0.931 962 K CB -0.530 31.970 32.500 0.000 0.000 0.714 962 K HN -0.498 7.752 8.250 0.000 0.000 0.440 963 R N -0.963 119.538 120.500 0.000 0.000 2.075 963 R HA -0.320 nan 4.340 nan 0.000 0.232 963 R C 2.375 178.675 176.300 0.000 0.000 1.126 963 R CA 3.319 59.420 56.100 0.000 0.000 0.963 963 R CB -0.271 30.029 30.300 0.000 0.000 0.858 963 R HN -0.402 7.779 8.270 0.000 0.090 0.435 964 D N -0.164 120.236 120.400 0.000 0.000 2.144 964 D HA -0.198 nan 4.640 nan 0.000 0.200 964 D C 2.652 178.953 176.300 0.000 0.000 0.978 964 D CA 3.240 57.240 54.000 0.000 0.000 0.833 964 D CB -0.357 40.443 40.800 0.000 0.000 0.961 964 D HN 0.039 8.409 8.370 0.000 0.000 0.470 965 I N 0.658 121.229 120.570 0.000 0.000 2.099 965 I HA -0.611 nan 4.170 nan 0.000 0.239 965 I C 1.636 177.753 176.117 0.000 0.000 1.066 965 I CA 3.916 65.216 61.300 0.000 0.000 1.324 965 I CB -0.064 37.936 38.000 0.000 0.000 1.037 965 I HN 0.067 8.170 8.210 0.000 0.107 0.401 966 D N 0.116 120.516 120.400 0.000 0.000 2.077 966 D HA -0.305 nan 4.640 nan 0.000 0.193 966 D C 2.545 178.845 176.300 0.000 0.000 0.989 966 D CA 3.356 57.356 54.000 0.000 0.000 0.831 966 D CB -0.739 40.062 40.800 0.000 0.000 0.979 966 D HN -0.063 8.307 8.370 0.000 0.000 0.449 967 D N -0.464 119.937 120.400 0.000 0.000 2.190 967 D HA -0.261 nan 4.640 nan 0.000 0.200 967 D C 2.403 178.703 176.300 0.000 0.000 0.992 967 D CA 3.071 57.071 54.000 0.000 0.000 0.854 967 D CB -0.279 40.522 40.800 0.000 0.000 0.936 967 D HN 0.097 8.467 8.370 0.000 0.000 0.462 968 L N -1.200 120.023 121.223 0.000 0.000 1.989 968 L HA -0.338 nan 4.340 nan 0.000 0.211 968 L C 1.409 178.280 176.870 0.000 0.000 1.071 968 L CA 3.632 58.472 54.840 0.000 0.000 0.749 968 L CB -0.107 41.953 42.059 0.000 0.000 0.890 968 L HN -0.707 7.512 8.230 0.000 0.011 0.431 969 E N -1.282 118.918 120.200 0.000 0.000 2.150 969 E HA -0.340 nan 4.350 nan 0.000 0.193 969 E C 2.659 179.260 176.600 0.000 0.000 0.985 969 E CA 3.161 59.561 56.400 0.000 0.000 0.814 969 E CB -0.357 29.343 29.700 0.000 0.000 0.752 969 E HN -0.663 7.697 8.360 0.000 0.000 0.466 970 L N -1.856 119.367 121.223 0.000 0.000 2.275 970 L HA -0.256 nan 4.340 nan 0.000 0.215 970 L C 2.284 179.154 176.870 0.000 0.000 1.119 970 L CA 2.721 57.561 54.840 0.000 0.000 0.790 970 L CB -0.350 41.709 42.059 0.000 0.000 0.919 970 L HN 0.400 8.436 8.230 0.000 0.194 0.443 971 T N -4.972 109.582 114.554 0.000 0.000 3.035 971 T HA -0.101 nan 4.350 nan 0.000 0.259 971 T C 1.694 176.394 174.700 0.000 0.000 1.078 971 T CA 2.217 64.318 62.100 0.000 0.000 1.132 971 T CB 0.296 69.165 68.868 0.000 0.000 0.900 971 T HN -0.169 7.968 8.240 0.000 0.103 0.480 972 L N 1.117 122.340 121.223 0.000 0.000 2.093 972 L HA -0.148 nan 4.340 nan 0.000 0.208 972 L C 1.058 177.928 176.870 0.000 0.000 1.085 972 L CA 1.641 56.481 54.840 0.000 0.000 0.755 972 L CB -0.411 41.648 42.059 0.000 0.000 0.904 972 L HN -0.081 8.065 8.230 0.000 0.085 0.435 973 A N -0.804 122.016 122.820 0.000 0.000 2.507 973 A HA -0.128 nan 4.320 nan 0.000 0.235 973 A C -1.335 176.249 177.584 0.000 0.000 1.070 973 A CA 1.210 53.247 52.037 0.000 0.000 0.768 973 A CB 0.241 19.241 19.000 0.000 0.000 1.011 973 A HN -0.301 7.849 8.150 0.000 0.000 0.502 974 K N 0.000 120.400 120.400 0.000 0.000 2.780 974 K HA 0.000 nan 4.320 nan 0.000 0.191 974 K CA 0.000 56.287 56.287 0.000 0.000 0.838 974 K CB 0.000 32.500 32.500 0.000 0.000 1.064 974 K HN 0.000 8.250 8.250 0.000 0.000 0.543