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_A 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 L 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 0.000 177.552 177.584 -0.053 0.000 1.274 2 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 3 Q N 0.474 120.236 119.800 -0.063 0.000 2.308 3 Q HA 0.147 nan 4.340 nan 0.000 0.207 3 Q C -0.645 175.305 176.000 -0.083 0.000 1.035 3 Q CA -0.697 55.062 55.803 -0.073 0.000 1.008 3 Q CB 1.024 29.711 28.738 -0.085 0.000 1.168 3 Q HN -0.366 8.107 8.270 -0.064 -0.241 0.565 4 K N 0.718 121.063 120.400 -0.091 0.000 2.508 4 K HA -0.079 nan 4.320 nan 0.000 0.273 4 K C -1.394 175.144 176.600 -0.104 0.000 0.964 4 K CA -0.495 55.735 56.287 -0.094 0.000 0.948 4 K CB -0.437 31.998 32.500 -0.108 0.000 0.917 4 K HN 0.172 8.366 8.250 -0.092 0.000 0.512 5 P HA -0.036 nan 4.420 nan 0.000 0.268 5 P C -1.294 175.943 177.300 -0.106 0.000 1.204 5 P CA 0.072 63.113 63.100 -0.099 0.000 0.768 5 P CB 0.409 32.059 31.700 -0.082 0.000 0.842 6 L N 1.566 122.725 121.223 -0.108 0.000 2.307 6 L HA 0.177 nan 4.340 nan 0.000 0.282 6 L C 0.265 177.083 176.870 -0.087 0.000 1.051 6 L CA -1.171 53.607 54.840 -0.103 0.000 0.804 6 L CB 0.871 42.883 42.059 -0.079 0.000 1.197 6 L HN -0.147 8.018 8.230 -0.109 0.000 0.431 7 S N 1.777 117.432 115.700 -0.075 0.000 2.549 7 S HA -0.119 nan 4.470 nan 0.000 0.286 7 S C 1.275 175.784 174.600 -0.151 0.000 1.314 7 S CA -0.489 57.657 58.200 -0.089 0.000 1.062 7 S CB 1.499 64.661 63.200 -0.063 0.000 0.865 7 S HN 0.344 8.618 8.310 -0.061 0.000 0.498 8 D N 7.366 127.668 120.400 -0.163 0.000 2.192 8 D HA -0.403 nan 4.640 nan 0.000 0.189 8 D C 0.897 176.884 176.300 -0.522 0.000 1.007 8 D CA 3.046 56.904 54.000 -0.238 0.000 0.859 8 D CB -0.587 40.132 40.800 -0.136 0.000 0.936 8 D HN 0.605 8.905 8.370 -0.117 0.000 0.447 9 D N -0.136 120.003 120.400 -0.434 0.000 2.084 9 D HA -0.093 nan 4.640 nan 0.000 0.194 9 D C 2.191 178.132 176.300 -0.598 0.000 0.990 9 D CA 2.484 56.143 54.000 -0.569 0.000 0.826 9 D CB 0.092 40.782 40.800 -0.183 0.000 0.971 9 D HN -0.255 7.967 8.370 -0.245 0.000 0.453 10 E N -0.206 119.843 120.200 -0.251 0.000 2.478 10 E HA -0.221 nan 4.350 nan 0.000 0.198 10 E C 2.015 178.627 176.600 0.021 0.000 1.046 10 E CA 1.750 58.133 56.400 -0.030 0.000 0.870 10 E CB -0.273 29.540 29.700 0.189 0.000 0.818 10 E HN -0.419 7.752 8.360 -0.192 0.074 0.527 11 K N -0.506 119.798 120.400 -0.161 0.000 2.281 11 K HA -0.285 nan 4.320 nan 0.000 0.203 11 K C 1.590 178.236 176.600 0.077 0.000 1.046 11 K CA 2.830 59.077 56.287 -0.067 0.000 0.938 11 K CB -0.265 32.137 32.500 -0.163 0.000 0.737 11 K HN 0.207 8.254 8.250 -0.286 0.031 0.458 12 F N -5.978 113.975 119.950 0.006 0.000 2.797 12 F HA -0.028 nan 4.527 nan 0.000 0.302 12 F C 0.148 175.885 175.800 -0.105 0.000 1.130 12 F CA -1.017 56.960 58.000 -0.038 0.000 1.387 12 F CB -0.364 38.606 39.000 -0.050 0.000 1.107 12 F HN -0.376 7.508 8.300 -0.417 0.166 0.577 13 L N -3.229 117.966 121.223 -0.047 0.000 2.526 13 L HA 0.060 nan 4.340 nan 0.000 0.210 13 L C -0.067 176.565 176.870 -0.397 0.000 1.048 13 L CA 1.182 55.822 54.840 -0.332 0.000 0.852 13 L CB 1.792 43.459 42.059 -0.653 0.000 1.128 13 L HN -0.410 7.594 8.230 -0.026 0.211 0.482 14 F N -1.652 118.313 119.950 0.026 0.000 2.480 14 F HA 0.014 nan 4.527 nan 0.000 0.329 14 F C -0.209 175.618 175.800 0.045 0.000 1.091 14 F CA -0.837 57.180 58.000 0.029 0.000 0.972 14 F CB 2.096 41.098 39.000 0.003 0.000 1.150 14 F HN -0.464 7.886 8.300 0.082 0.000 0.467 15 V N -2.494 117.566 119.914 0.243 0.000 2.673 15 V HA -0.009 nan 4.120 nan 0.000 0.303 15 V C 0.329 176.529 176.094 0.177 0.000 1.046 15 V CA -0.710 61.703 62.300 0.188 0.000 1.126 15 V CB 0.315 32.237 31.823 0.166 0.000 0.934 15 V HN 0.095 8.437 8.190 0.253 0.000 0.487 16 D N 5.441 125.955 120.400 0.190 0.000 2.398 16 D HA -0.028 nan 4.640 nan 0.000 0.250 16 D C -0.542 175.907 176.300 0.248 0.000 1.287 16 D CA 1.181 55.283 54.000 0.171 0.000 0.992 16 D CB -1.004 39.914 40.800 0.197 0.000 1.071 16 D HN 0.304 8.796 8.370 0.203 0.000 0.514 17 K N 2.116 122.588 120.400 0.120 0.000 2.365 17 K HA -0.121 nan 4.320 nan 0.000 0.197 17 K C 0.592 177.230 176.600 0.064 0.000 1.042 17 K CA 1.026 57.386 56.287 0.122 0.000 0.987 17 K CB 0.368 32.900 32.500 0.053 0.000 0.779 17 K HN -0.200 8.060 8.250 0.074 0.033 0.484 18 N N 0.222 118.843 118.700 -0.131 0.000 3.188 18 N HA 0.046 nan 4.740 nan 0.000 0.279 18 N C -1.295 173.966 175.510 -0.414 0.000 1.213 18 N CA 0.009 52.932 53.050 -0.212 0.000 1.138 18 N CB -1.450 36.906 38.487 -0.218 0.000 1.417 18 N HN -0.076 8.128 8.380 -0.195 0.059 0.526 19 F N 0.086 120.032 119.950 -0.006 0.000 2.695 19 F HA 0.184 nan 4.527 nan 0.000 0.392 19 F C 0.221 176.015 175.800 -0.009 0.000 1.209 19 F CA -0.875 57.123 58.000 -0.004 0.000 1.138 19 F CB 1.188 40.190 39.000 0.003 0.000 1.557 19 F HN -0.434 7.884 8.300 0.141 0.067 0.496 20 V N 2.399 122.469 119.914 0.260 0.000 2.417 20 V HA 0.303 nan 4.120 nan 0.000 0.291 20 V C -0.416 175.722 176.094 0.074 0.000 1.024 20 V CA -1.166 61.207 62.300 0.122 0.000 0.861 20 V CB 1.266 33.155 31.823 0.110 0.000 0.985 20 V HN -0.001 8.397 8.190 0.347 0.000 0.436 21 N N 8.454 127.179 118.700 0.042 0.000 2.657 21 N HA -0.198 nan 4.740 nan 0.000 0.308 21 N C -0.870 174.647 175.510 0.011 0.000 1.212 21 N CA 0.251 53.312 53.050 0.017 0.000 1.157 21 N CB -1.621 36.870 38.487 0.005 0.000 1.462 21 N HN 0.501 8.905 8.380 0.039 0.000 0.509 22 N N 2.273 120.980 118.700 0.011 0.000 2.472 22 N HA 0.175 nan 4.740 nan 0.000 0.277 22 N C -1.549 173.959 175.510 -0.002 0.000 1.081 22 N CA -1.493 51.562 53.050 0.007 0.000 0.973 22 N CB 0.741 39.232 38.487 0.008 0.000 1.105 22 N HN -0.237 8.111 8.380 0.016 0.042 0.470 23 P HA 0.040 nan 4.420 nan 0.000 0.225 23 P C 0.677 177.983 177.300 0.010 0.000 1.156 23 P CA 0.620 63.721 63.100 0.000 0.000 0.787 23 P CB 0.341 32.044 31.700 0.005 0.000 0.802 24 L N -1.745 119.485 121.223 0.012 0.000 2.012 24 L HA -0.394 nan 4.340 nan 0.000 0.210 24 L C 1.593 178.478 176.870 0.025 0.000 1.073 24 L CA 2.688 57.540 54.840 0.020 0.000 0.748 24 L CB -0.749 41.316 42.059 0.010 0.000 0.891 24 L HN -0.291 7.946 8.230 0.008 -0.002 0.431 25 A N -4.300 118.524 122.820 0.008 0.000 2.194 25 A HA -0.338 nan 4.320 nan 0.000 0.220 25 A C 1.006 178.591 177.584 0.001 0.000 1.162 25 A CA 2.445 54.483 52.037 0.003 0.000 0.674 25 A CB -0.778 18.212 19.000 -0.016 0.000 0.789 25 A HN -0.233 8.274 8.150 0.001 -0.357 0.470 26 Q N -3.653 116.147 119.800 -0.001 0.000 2.353 26 Q HA 0.114 nan 4.340 nan 0.000 0.240 26 Q C 1.063 177.107 176.000 0.073 0.000 0.868 26 Q CA 0.975 56.750 55.803 -0.047 0.000 0.944 26 Q CB 1.671 30.353 28.738 -0.093 0.000 1.104 26 Q HN -0.303 7.768 8.270 0.009 0.205 0.531 27 A N 0.448 123.348 122.820 0.133 0.000 1.970 27 A HA -0.037 nan 4.320 nan 0.000 0.216 27 A C 1.221 178.971 177.584 0.276 0.000 1.170 27 A CA 2.631 54.800 52.037 0.221 0.000 0.645 27 A CB 0.460 19.526 19.000 0.111 0.000 0.816 27 A HN -0.019 8.079 8.150 0.077 0.097 0.447 28 D N -0.808 119.704 120.400 0.186 0.000 2.263 28 D HA -0.233 nan 4.640 nan 0.000 0.208 28 D C 1.410 177.793 176.300 0.138 0.000 0.971 28 D CA 4.010 58.079 54.000 0.114 0.000 0.867 28 D CB 0.095 40.934 40.800 0.063 0.000 0.929 28 D HN 0.109 8.564 8.370 0.143 0.000 0.492 29 W N -2.904 118.380 121.300 -0.027 0.000 2.359 29 W HA -0.236 nan 4.660 nan 0.000 0.275 29 W C 0.356 176.862 176.519 -0.020 0.000 1.217 29 W CA 1.443 58.773 57.345 -0.024 0.000 1.196 29 W CB -1.817 27.633 29.460 -0.018 0.000 1.129 29 W HN -0.533 7.931 8.180 0.543 0.041 0.566 30 S N 1.270 116.613 115.700 -0.596 0.000 2.402 30 S HA -0.255 nan 4.470 nan 0.000 0.233 30 S C 1.267 175.672 174.600 -0.325 0.000 1.030 30 S CA 2.643 60.483 58.200 -0.600 0.000 1.003 30 S CB 0.086 63.081 63.200 -0.342 0.000 0.813 30 S HN -0.683 7.400 8.310 -0.313 0.039 0.477 31 A N 1.103 123.813 122.820 -0.183 0.000 3.029 31 A HA 0.034 nan 4.320 nan 0.000 0.251 31 A C -0.815 176.707 177.584 -0.105 0.000 1.749 31 A CA -0.845 51.120 52.037 -0.119 0.000 1.386 31 A CB -1.690 17.265 19.000 -0.074 0.000 1.043 31 A HN -0.184 7.866 8.150 -0.138 0.017 0.638 32 K N -0.524 119.789 120.400 -0.144 0.000 2.675 32 K HA -0.261 nan 4.320 nan 0.000 0.194 32 K C 0.274 176.843 176.600 -0.051 0.000 1.029 32 K CA 1.542 57.767 56.287 -0.103 0.000 0.980 32 K CB -0.701 31.709 32.500 -0.150 0.000 0.803 32 K HN -0.144 7.916 8.250 -0.198 0.072 0.493 33 K N -2.459 117.912 120.400 -0.048 0.000 2.478 33 K HA 0.144 nan 4.320 nan 0.000 0.205 33 K C -0.804 175.780 176.600 -0.027 0.000 1.033 33 K CA -1.558 54.713 56.287 -0.028 0.000 1.091 33 K CB 0.474 32.956 32.500 -0.029 0.000 0.844 33 K HN -0.299 7.817 8.250 -0.059 0.099 0.507 34 L N 1.354 122.554 121.223 -0.039 0.000 2.559 34 L HA -0.063 nan 4.340 nan 0.000 0.274 34 L C -1.277 175.555 176.870 -0.063 0.000 1.205 34 L CA 1.306 56.107 54.840 -0.065 0.000 0.907 34 L CB -0.607 41.402 42.059 -0.083 0.000 1.153 34 L HN -0.461 7.678 8.230 -0.040 0.067 0.490 35 V N -4.583 115.284 119.914 -0.078 0.000 3.147 35 V HA 0.661 nan 4.120 nan 0.000 0.306 35 V C -1.786 174.298 176.094 -0.018 0.000 1.209 35 V CA -2.845 59.448 62.300 -0.012 0.000 1.023 35 V CB 3.287 35.147 31.823 0.062 0.000 1.059 35 V HN 0.497 8.526 8.190 -0.097 0.103 0.435 36 W N 1.478 122.818 121.300 0.067 0.000 2.316 36 W HA 0.392 nan 4.660 nan 0.000 0.311 36 W C -0.872 175.804 176.519 0.262 0.000 1.217 36 W CA -0.333 57.093 57.345 0.135 0.000 1.199 36 W CB 1.097 30.598 29.460 0.068 0.000 1.202 36 W HN 0.269 8.638 8.180 0.315 0.000 0.528 37 V N -2.334 117.919 119.914 0.564 0.000 2.735 37 V HA 0.655 nan 4.120 nan 0.000 0.310 37 V C -2.000 174.145 176.094 0.085 0.000 1.061 37 V CA -4.690 57.811 62.300 0.336 0.000 0.913 37 V CB 2.081 33.993 31.823 0.148 0.000 1.005 37 V HN 0.745 9.174 8.190 0.585 0.112 0.428 38 P HA 0.237 nan 4.420 nan 0.000 0.265 38 P C -1.522 175.508 177.300 -0.450 0.000 1.193 38 P CA 0.180 62.773 63.100 -0.847 0.000 0.765 38 P CB 0.330 31.692 31.700 -0.562 0.000 0.823 39 S N 2.334 117.756 115.700 -0.464 0.000 2.649 39 S HA 0.206 nan 4.470 nan 0.000 0.274 39 S C 0.583 175.068 174.600 -0.191 0.000 1.176 39 S CA -1.231 56.786 58.200 -0.304 0.000 0.988 39 S CB 2.058 65.032 63.200 -0.375 0.000 1.071 39 S HN 0.301 8.225 8.310 -0.643 0.000 0.478 40 E N 7.872 128.013 120.200 -0.098 0.000 2.110 40 E HA -0.365 nan 4.350 nan 0.000 0.193 40 E C 1.209 177.880 176.600 0.118 0.000 0.988 40 E CA 3.444 59.879 56.400 0.059 0.000 0.804 40 E CB -0.065 29.647 29.700 0.019 0.000 0.745 40 E HN 0.692 8.978 8.360 -0.124 0.000 0.458 41 K N -3.682 116.720 120.400 0.003 0.000 2.128 41 K HA -0.061 nan 4.320 nan 0.000 0.202 41 K C 1.854 178.559 176.600 0.175 0.000 1.050 41 K CA 1.173 57.522 56.287 0.103 0.000 0.966 41 K CB 0.163 32.744 32.500 0.134 0.000 0.759 41 K HN -0.340 7.823 8.250 -0.113 0.018 0.454 42 H N -4.168 114.919 119.070 0.029 0.000 2.575 42 H HA 0.192 nan 4.556 nan 0.000 0.267 42 H C 0.707 176.045 175.328 0.017 0.000 0.966 42 H CA -1.876 54.203 56.048 0.052 0.000 1.165 42 H CB 1.204 31.036 29.762 0.117 0.000 1.433 42 H HN -0.571 7.570 8.280 -0.232 0.000 0.544 43 G N -0.827 107.948 108.800 -0.041 0.000 5.353 43 G HA2 -0.467 nan 3.960 nan 0.000 0.283 43 G HA3 -0.467 nan 3.960 nan 0.000 0.283 43 G C -1.740 173.165 174.900 0.008 0.000 1.457 43 G CA 1.052 46.096 45.100 -0.094 0.000 0.951 43 G HN 0.049 8.242 8.290 -0.090 0.043 0.731 44 F N 1.905 121.873 119.950 0.029 0.000 2.740 44 F HA 0.634 nan 4.527 nan 0.000 0.357 44 F C -1.686 174.335 175.800 0.370 0.000 1.141 44 F CA -1.546 56.540 58.000 0.142 0.000 1.044 44 F CB 4.528 43.571 39.000 0.072 0.000 1.430 44 F HN -0.696 7.791 8.300 0.341 0.017 0.518 45 E N -3.165 117.442 120.200 0.678 0.000 2.166 45 E HA 0.303 nan 4.350 nan 0.000 0.223 45 E C -2.540 174.232 176.600 0.288 0.000 1.174 45 E CA -1.326 55.415 56.400 0.568 0.000 0.901 45 E CB 2.666 32.631 29.700 0.441 0.000 1.893 45 E HN 0.617 9.266 8.360 0.646 0.099 0.487 46 A N -1.270 121.560 122.820 0.018 0.000 2.331 46 A HA 0.960 nan 4.320 nan 0.000 0.320 46 A C -1.894 175.649 177.584 -0.068 0.000 1.138 46 A CA -1.392 50.538 52.037 -0.179 0.000 0.790 46 A CB 2.302 21.119 19.000 -0.305 0.000 1.206 46 A HN 0.280 8.480 8.150 0.083 0.000 0.470 47 A N 3.085 125.862 122.820 -0.071 0.000 2.535 47 A HA 0.952 nan 4.320 nan 0.000 0.296 47 A C -2.494 175.065 177.584 -0.042 0.000 1.248 47 A CA -0.882 51.137 52.037 -0.030 0.000 0.686 47 A CB 3.582 22.589 19.000 0.012 0.000 1.315 47 A HN 0.967 9.047 8.150 -0.115 0.000 0.460 48 S N -2.618 113.068 115.700 -0.023 0.000 2.546 48 S HA 0.588 nan 4.470 nan 0.000 0.272 48 S C -1.088 173.506 174.600 -0.011 0.000 1.140 48 S CA -1.833 56.352 58.200 -0.024 0.000 0.920 48 S CB 2.424 65.603 63.200 -0.036 0.000 1.083 48 S HN 0.562 8.757 8.310 -0.014 0.106 0.476 49 I N 6.781 127.347 120.570 -0.007 0.000 2.710 49 I HA -0.346 nan 4.170 nan 0.000 0.286 49 I C -0.668 175.442 176.117 -0.012 0.000 1.181 49 I CA 2.739 64.037 61.300 -0.003 0.000 1.430 49 I CB 0.039 38.039 38.000 -0.000 0.000 1.367 49 I HN 0.573 8.682 8.210 -0.008 0.096 0.577 50 K N 4.215 124.609 120.400 -0.009 0.000 2.344 50 K HA 0.187 nan 4.320 nan 0.000 0.200 50 K C 0.012 176.605 176.600 -0.011 0.000 1.132 50 K CA -0.251 56.028 56.287 -0.013 0.000 0.935 50 K CB 1.765 34.257 32.500 -0.013 0.000 1.089 50 K HN 0.728 8.865 8.250 -0.005 0.110 0.496 51 E N 0.128 120.324 120.200 -0.006 0.000 2.313 51 E HA 0.125 nan 4.350 nan 0.000 0.280 51 E C -2.091 174.508 176.600 -0.001 0.000 0.898 51 E CA -0.425 55.972 56.400 -0.005 0.000 0.803 51 E CB 2.890 32.587 29.700 -0.006 0.000 1.286 51 E HN -0.600 7.758 8.360 -0.004 0.000 0.401 52 E N 6.368 126.567 120.200 -0.001 0.000 1.985 52 E HA -0.103 nan 4.350 nan 0.000 0.268 52 E C -0.444 176.158 176.600 0.002 0.000 1.219 52 E CA -0.142 56.259 56.400 0.002 0.000 0.942 52 E CB -0.632 29.069 29.700 0.001 0.000 1.045 52 E HN 0.477 8.835 8.360 -0.004 0.000 0.413 53 K N 6.617 127.020 120.400 0.004 0.000 2.363 53 K HA 0.093 nan 4.320 nan 0.000 0.240 53 K C -0.059 176.545 176.600 0.005 0.000 1.169 53 K CA -1.771 54.518 56.287 0.004 0.000 1.131 53 K CB -1.875 30.627 32.500 0.004 0.000 1.771 53 K HN 0.217 8.368 8.250 0.006 0.102 0.380 54 G N 4.258 113.061 108.800 0.005 0.000 2.677 54 G HA2 -0.589 nan 3.960 nan 0.000 0.321 54 G HA3 -0.589 nan 3.960 nan 0.000 0.321 54 G C -0.060 174.845 174.900 0.008 0.000 1.181 54 G CA 1.854 46.958 45.100 0.006 0.000 0.965 54 G HN -0.093 8.199 8.290 0.004 0.000 0.548 55 D N 5.856 126.262 120.400 0.010 0.000 2.354 55 D HA 0.149 nan 4.640 nan 0.000 0.209 55 D C 0.370 176.679 176.300 0.015 0.000 1.015 55 D CA 1.319 55.327 54.000 0.013 0.000 0.867 55 D CB 0.813 41.621 40.800 0.013 0.000 0.933 55 D HN -0.022 8.353 8.370 0.008 0.000 0.520 56 E N -1.239 118.968 120.200 0.012 0.000 2.342 56 E HA 0.429 nan 4.350 nan 0.000 0.257 56 E C -0.782 175.826 176.600 0.012 0.000 1.150 56 E CA -0.002 56.406 56.400 0.013 0.000 0.926 56 E CB 1.304 31.010 29.700 0.010 0.000 1.074 56 E HN -0.451 7.915 8.360 0.010 0.000 0.449 57 V N -1.233 118.689 119.914 0.013 0.000 2.752 57 V HA 0.345 nan 4.120 nan 0.000 0.302 57 V C -0.928 175.171 176.094 0.009 0.000 1.133 57 V CA -0.589 61.718 62.300 0.011 0.000 0.919 57 V CB 3.545 35.377 31.823 0.014 0.000 1.026 57 V HN 0.693 8.786 8.190 0.015 0.106 0.429 58 T N 5.777 120.334 114.554 0.005 0.000 2.933 58 T HA 0.189 nan 4.350 nan 0.000 0.263 58 T C -0.019 174.683 174.700 0.003 0.000 0.925 58 T CA -0.175 61.927 62.100 0.003 0.000 1.156 58 T CB -1.601 67.267 68.868 -0.000 0.000 0.916 58 T HN 0.417 8.564 8.240 0.003 0.094 0.601 59 V N 7.194 127.112 119.914 0.008 0.000 2.834 59 V HA 0.447 nan 4.120 nan 0.000 0.301 59 V C -1.358 174.739 176.094 0.005 0.000 1.066 59 V CA -0.415 61.891 62.300 0.009 0.000 1.052 59 V CB 0.730 32.566 31.823 0.021 0.000 1.021 59 V HN 0.297 8.473 8.190 0.010 0.020 0.480 60 E N 1.991 122.191 120.200 0.001 0.000 2.292 60 E HA 0.600 nan 4.350 nan 0.000 0.272 60 E C -1.358 175.241 176.600 -0.002 0.000 0.881 60 E CA -1.963 54.436 56.400 -0.002 0.000 0.754 60 E CB 4.378 34.073 29.700 -0.007 0.000 1.201 60 E HN 0.597 8.851 8.360 -0.000 0.106 0.425 61 L N 4.372 125.596 121.223 0.002 0.000 2.426 61 L HA -0.097 nan 4.340 nan 0.000 0.271 61 L C 0.093 176.961 176.870 -0.004 0.000 1.169 61 L CA 0.889 55.731 54.840 0.005 0.000 0.836 61 L CB 0.161 42.229 42.059 0.015 0.000 1.112 61 L HN 0.138 8.369 8.230 0.002 0.000 0.465 62 Q N 2.641 122.433 119.800 -0.013 0.000 2.282 62 Q HA -0.012 nan 4.340 nan 0.000 0.206 62 Q C 0.493 176.486 176.000 -0.012 0.000 0.878 62 Q CA 0.837 56.627 55.803 -0.021 0.000 0.944 62 Q CB 0.603 29.317 28.738 -0.040 0.000 1.100 62 Q HN 0.513 8.666 8.270 -0.016 0.107 0.509 63 E N 2.149 122.353 120.200 0.007 0.000 2.025 63 E HA -0.170 nan 4.350 nan 0.000 0.198 63 E C 1.102 177.717 176.600 0.025 0.000 0.955 63 E CA 0.628 57.044 56.400 0.026 0.000 0.862 63 E CB -0.207 29.536 29.700 0.071 0.000 0.837 63 E HN -0.426 7.942 8.360 0.013 0.000 0.488 64 N N -1.795 116.926 118.700 0.034 0.000 2.550 64 N HA -0.119 nan 4.740 nan 0.000 0.186 64 N C 0.120 175.637 175.510 0.012 0.000 1.110 64 N CA 0.058 53.122 53.050 0.025 0.000 0.912 64 N CB 0.381 38.885 38.487 0.028 0.000 0.968 64 N HN 0.256 8.663 8.380 0.045 0.000 0.448 65 G N -1.082 107.722 108.800 0.007 0.000 2.184 65 G HA2 -0.275 nan 3.960 nan 0.000 0.264 65 G HA3 -0.275 nan 3.960 nan 0.000 0.264 65 G C -0.764 174.136 174.900 0.000 0.000 0.975 65 G CA 0.321 45.421 45.100 0.000 0.000 0.642 65 G HN -0.613 7.542 8.290 0.008 0.139 0.536 66 K N 1.716 122.117 120.400 0.003 0.000 2.349 66 K HA -0.018 nan 4.320 nan 0.000 0.288 66 K C -0.263 176.336 176.600 -0.000 0.000 1.058 66 K CA -0.998 55.289 56.287 0.001 0.000 0.953 66 K CB 0.122 32.623 32.500 0.002 0.000 0.997 66 K HN -0.228 7.935 8.250 0.006 0.091 0.477 67 K N 4.280 124.679 120.400 -0.002 0.000 2.447 67 K HA 0.050 nan 4.320 nan 0.000 0.281 67 K C -0.482 176.117 176.600 -0.001 0.000 1.031 67 K CA 1.078 57.364 56.287 -0.002 0.000 1.019 67 K CB 0.351 32.849 32.500 -0.003 0.000 0.918 67 K HN 0.345 8.594 8.250 -0.002 0.000 0.476 68 V N 7.485 127.399 119.914 0.001 0.000 2.419 68 V HA 0.169 nan 4.120 nan 0.000 0.287 68 V C -0.691 175.405 176.094 0.004 0.000 1.017 68 V CA -0.876 61.425 62.300 0.001 0.000 0.844 68 V CB 1.781 33.604 31.823 -0.001 0.000 1.011 68 V HN 0.661 8.747 8.190 0.002 0.105 0.429 69 T N 9.628 124.184 114.554 0.003 0.000 2.793 69 T HA 0.061 nan 4.350 nan 0.000 0.289 69 T C -0.993 173.712 174.700 0.009 0.000 0.956 69 T CA 2.038 64.141 62.100 0.006 0.000 1.177 69 T CB -0.649 68.221 68.868 0.004 0.000 0.897 69 T HN 0.283 8.524 8.240 0.001 0.000 0.533 70 L N 6.664 127.895 121.223 0.014 0.000 2.359 70 L HA 0.512 nan 4.340 nan 0.000 0.256 70 L C -1.192 175.694 176.870 0.026 0.000 1.026 70 L CA -1.596 53.257 54.840 0.021 0.000 0.828 70 L CB 5.222 47.298 42.059 0.029 0.000 1.406 70 L HN 0.935 9.072 8.230 0.015 0.102 0.413 71 S N 0.049 115.768 115.700 0.032 0.000 2.646 71 S HA 0.357 nan 4.470 nan 0.000 0.276 71 S C 0.514 175.138 174.600 0.040 0.000 1.222 71 S CA -0.411 57.808 58.200 0.032 0.000 1.014 71 S CB 1.316 64.533 63.200 0.028 0.000 0.991 71 S HN -0.098 8.443 8.310 0.034 -0.211 0.533 72 K N 2.317 122.738 120.400 0.033 0.000 2.286 72 K HA -0.378 nan 4.320 nan 0.000 0.203 72 K C 0.434 177.060 176.600 0.044 0.000 1.045 72 K CA 3.455 59.763 56.287 0.035 0.000 0.935 72 K CB -0.116 32.399 32.500 0.026 0.000 0.737 72 K HN 0.792 8.963 8.250 0.027 0.096 0.460 73 D N -5.706 114.721 120.400 0.045 0.000 2.301 73 D HA -0.014 nan 4.640 nan 0.000 0.206 73 D C 0.532 176.878 176.300 0.076 0.000 0.979 73 D CA 1.052 55.083 54.000 0.051 0.000 0.874 73 D CB 0.032 40.856 40.800 0.040 0.000 0.968 73 D HN -0.045 8.290 8.370 0.040 0.060 0.510 74 D N -0.667 119.784 120.400 0.085 0.000 2.123 74 D HA -0.063 nan 4.640 nan 0.000 0.200 74 D C 0.892 177.297 176.300 0.175 0.000 0.976 74 D CA 1.992 56.066 54.000 0.123 0.000 0.831 74 D CB 1.119 41.975 40.800 0.093 0.000 0.974 74 D HN -0.342 7.947 8.370 0.068 0.121 0.469 75 I N -3.109 117.541 120.570 0.133 0.000 2.505 75 I HA -0.079 nan 4.170 nan 0.000 0.287 75 I C -0.956 175.246 176.117 0.141 0.000 1.104 75 I CA 0.118 61.507 61.300 0.148 0.000 1.387 75 I CB -0.923 37.137 38.000 0.101 0.000 1.404 75 I HN -0.828 7.442 8.210 0.099 0.000 0.528 76 Q N 8.011 127.924 119.800 0.188 0.000 2.333 76 Q HA 0.286 nan 4.340 nan 0.000 0.265 76 Q C -0.684 175.440 176.000 0.206 0.000 0.989 76 Q CA -1.785 54.096 55.803 0.130 0.000 0.842 76 Q CB 2.618 31.353 28.738 -0.005 0.000 1.262 76 Q HN 0.536 8.966 8.270 0.266 0.000 0.451 77 K N 4.442 124.928 120.400 0.144 0.000 2.464 77 K HA -0.364 nan 4.320 nan 0.000 0.265 77 K C -0.544 176.219 176.600 0.272 0.000 1.055 77 K CA 1.114 57.494 56.287 0.155 0.000 1.161 77 K CB -0.504 32.053 32.500 0.095 0.000 0.804 77 K HN 0.578 8.886 8.250 0.096 0.000 0.486 78 M N 5.252 124.960 119.600 0.179 0.000 2.184 78 M HA -0.061 nan 4.480 nan 0.000 0.351 78 M C -0.380 176.026 176.300 0.177 0.000 1.395 78 M CA -0.614 54.751 55.300 0.109 0.000 1.117 78 M CB 0.790 33.327 32.600 -0.105 0.000 1.708 78 M HN 0.288 8.641 8.290 0.104 0.000 0.468 79 N N 7.064 125.945 118.700 0.302 0.000 2.525 79 N HA 0.169 nan 4.740 nan 0.000 0.271 79 N C -2.078 173.564 175.510 0.220 0.000 1.194 79 N CA -1.256 51.951 53.050 0.262 0.000 0.964 79 N CB 0.523 39.184 38.487 0.290 0.000 1.126 79 N HN 0.239 8.962 8.380 0.573 0.000 0.452 80 P HA 0.185 nan 4.420 nan 0.000 0.267 80 P C -0.767 176.608 177.300 0.125 0.000 1.205 80 P CA -1.453 61.735 63.100 0.147 0.000 0.765 80 P CB -0.324 31.431 31.700 0.092 0.000 0.828 81 P HA -0.304 nan 4.420 nan 0.000 0.217 81 P C 1.103 178.407 177.300 0.007 0.000 1.148 81 P CA 2.149 65.273 63.100 0.040 0.000 0.834 81 P CB -0.264 31.437 31.700 0.002 0.000 0.783 82 K N -0.824 119.514 120.400 -0.103 0.000 2.286 82 K HA -0.221 nan 4.320 nan 0.000 0.203 82 K C 1.270 177.747 176.600 -0.205 0.000 1.045 82 K CA 2.079 58.238 56.287 -0.213 0.000 0.935 82 K CB -0.909 31.365 32.500 -0.377 0.000 0.737 82 K HN -0.132 8.019 8.250 -0.116 0.030 0.460 83 F N -2.762 117.225 119.950 0.063 0.000 2.804 83 F HA 0.017 nan 4.527 nan 0.000 0.303 83 F C -0.473 175.386 175.800 0.097 0.000 1.154 83 F CA -0.565 57.480 58.000 0.075 0.000 1.401 83 F CB -0.427 38.621 39.000 0.080 0.000 1.106 83 F HN -0.474 7.839 8.300 0.102 0.048 0.568 84 S N 1.455 117.291 115.700 0.228 0.000 2.670 84 S HA -0.229 nan 4.470 nan 0.000 0.308 84 S C -0.223 174.462 174.600 0.141 0.000 1.232 84 S CA 2.051 60.360 58.200 0.180 0.000 1.126 84 S CB -0.333 62.924 63.200 0.095 0.000 0.897 84 S HN -0.722 7.590 8.310 0.154 0.090 0.508 85 K N -1.770 118.704 120.400 0.123 0.000 3.391 85 K HA -0.390 nan 4.320 nan 0.000 0.307 85 K C -0.259 176.408 176.600 0.112 0.000 1.304 85 K CA 0.595 56.938 56.287 0.094 0.000 0.904 85 K CB -2.157 30.396 32.500 0.088 0.000 1.293 85 K HN 0.168 8.500 8.250 0.137 0.000 0.470 86 V N 0.726 120.724 119.914 0.139 0.000 3.230 86 V HA -0.303 nan 4.120 nan 0.000 0.302 86 V C 1.114 177.278 176.094 0.118 0.000 1.158 86 V CA 1.586 63.975 62.300 0.148 0.000 1.279 86 V CB 0.769 32.717 31.823 0.208 0.000 0.983 86 V HN -0.543 7.690 8.190 0.167 0.057 0.506 87 E N 4.013 124.290 120.200 0.129 0.000 2.072 87 E HA -0.139 nan 4.350 nan 0.000 0.190 87 E C 0.211 176.901 176.600 0.150 0.000 0.982 87 E CA 2.543 59.025 56.400 0.135 0.000 0.803 87 E CB 0.455 30.244 29.700 0.148 0.000 0.755 87 E HN 0.401 8.845 8.360 0.139 0.000 0.453 88 D N -3.364 117.107 120.400 0.119 0.000 2.498 88 D HA 0.345 nan 4.640 nan 0.000 0.247 88 D C 1.340 177.654 176.300 0.022 0.000 1.070 88 D CA -1.637 52.413 54.000 0.084 0.000 0.842 88 D CB 2.064 42.893 40.800 0.048 0.000 1.361 88 D HN -0.579 8.090 8.370 0.111 -0.233 0.484 89 M N 3.770 123.357 119.600 -0.022 0.000 2.319 89 M HA -0.124 nan 4.480 nan 0.000 0.265 89 M C 1.666 177.902 176.300 -0.107 0.000 1.068 89 M CA 2.067 57.327 55.300 -0.067 0.000 1.118 89 M CB -0.532 32.013 32.600 -0.091 0.000 1.395 89 M HN 0.606 8.884 8.290 -0.020 0.000 0.435 90 A N -1.377 121.385 122.820 -0.098 0.000 2.121 90 A HA -0.127 nan 4.320 nan 0.000 0.218 90 A C 0.910 178.414 177.584 -0.133 0.000 1.154 90 A CA 2.220 54.191 52.037 -0.110 0.000 0.679 90 A CB -0.943 17.999 19.000 -0.097 0.000 0.795 90 A HN -0.044 8.366 8.150 -0.078 -0.307 0.458 91 E N -2.225 117.899 120.200 -0.126 0.000 2.274 91 E HA -0.181 nan 4.350 nan 0.000 0.194 91 E C 0.079 176.403 176.600 -0.461 0.000 0.996 91 E CA 0.722 57.042 56.400 -0.132 0.000 0.840 91 E CB 0.175 29.902 29.700 0.046 0.000 0.772 91 E HN -0.593 7.672 8.360 -0.087 0.043 0.491 92 L N 0.812 121.672 121.223 -0.605 0.000 2.699 92 L HA -0.203 nan 4.340 nan 0.000 0.283 92 L C 1.009 177.534 176.870 -0.575 0.000 1.166 92 L CA 0.571 54.852 54.840 -0.932 0.000 1.043 92 L CB -1.406 40.362 42.059 -0.485 0.000 1.369 92 L HN -0.646 7.313 8.230 -0.368 0.051 0.462 93 T N 0.675 114.896 114.554 -0.555 0.000 2.656 93 T HA -0.383 nan 4.350 nan 0.000 0.262 93 T C 0.682 175.323 174.700 -0.099 0.000 1.070 93 T CA 1.945 63.952 62.100 -0.155 0.000 1.160 93 T CB -0.385 68.521 68.868 0.063 0.000 0.855 93 T HN 0.364 8.062 8.240 -0.847 0.033 0.456 94 C N 4.534 123.775 119.300 -0.098 0.000 2.289 94 C HA 0.113 nan 4.460 nan 0.000 0.340 94 C C -1.011 173.914 174.990 -0.109 0.000 1.152 94 C CA -0.657 58.327 59.018 -0.056 0.000 1.650 94 C CB -2.080 25.668 27.740 0.015 0.000 2.203 94 C HN -0.099 8.061 8.230 -0.116 0.000 0.511 95 L N 6.032 127.200 121.223 -0.092 0.000 2.276 95 L HA 0.114 nan 4.340 nan 0.000 0.286 95 L C -1.243 175.574 176.870 -0.088 0.000 1.061 95 L CA -0.345 54.437 54.840 -0.096 0.000 0.807 95 L CB 0.570 42.591 42.059 -0.063 0.000 1.177 95 L HN 0.005 8.194 8.230 -0.068 0.000 0.429 96 N N 1.134 119.748 118.700 -0.143 0.000 3.126 96 N HA -0.014 nan 4.740 nan 0.000 0.233 96 N C -0.527 174.800 175.510 -0.306 0.000 1.069 96 N CA 0.346 53.290 53.050 -0.176 0.000 1.071 96 N CB 3.048 41.437 38.487 -0.163 0.000 1.683 96 N HN -0.199 8.076 8.380 -0.175 0.000 0.586 97 E N 6.048 126.077 120.200 -0.285 0.000 2.149 97 E HA -0.538 nan 4.350 nan 0.000 0.215 97 E C 0.944 177.225 176.600 -0.533 0.000 1.055 97 E CA 4.089 60.303 56.400 -0.310 0.000 0.870 97 E CB -0.004 29.578 29.700 -0.197 0.000 0.764 97 E HN 0.662 8.902 8.360 -0.199 0.000 0.463 98 A N -2.418 119.758 122.820 -1.074 0.000 1.935 98 A HA -0.429 nan 4.320 nan 0.000 0.224 98 A C 1.670 178.626 177.584 -1.046 0.000 1.324 98 A CA 3.117 54.288 52.037 -1.444 0.000 0.686 98 A CB -0.464 17.618 19.000 -1.529 0.000 0.837 98 A HN -0.387 7.291 8.150 -1.172 -0.231 0.481 99 S N -5.889 109.257 115.700 -0.923 0.000 2.497 99 S HA 0.049 nan 4.470 nan 0.000 0.221 99 S C 1.707 176.124 174.600 -0.304 0.000 1.037 99 S CA 1.941 59.713 58.200 -0.712 0.000 0.920 99 S CB 0.976 63.783 63.200 -0.654 0.000 0.800 99 S HN -0.257 7.563 8.310 -0.776 0.025 0.505 100 V N 3.010 122.770 119.914 -0.256 0.000 2.490 100 V HA -0.307 nan 4.120 nan 0.000 0.250 100 V C 1.722 177.755 176.094 -0.103 0.000 1.061 100 V CA 3.355 65.570 62.300 -0.143 0.000 1.064 100 V CB -1.013 30.744 31.823 -0.110 0.000 0.670 100 V HN -0.636 7.371 8.190 -0.305 0.000 0.461 101 L N -1.314 119.829 121.223 -0.133 0.000 2.017 101 L HA -0.279 nan 4.340 nan 0.000 0.208 101 L C 1.359 178.202 176.870 -0.046 0.000 1.073 101 L CA 3.631 58.422 54.840 -0.082 0.000 0.745 101 L CB -0.528 41.481 42.059 -0.084 0.000 0.894 101 L HN -0.012 8.100 8.230 -0.197 0.000 0.432 102 H N -1.534 117.423 119.070 -0.187 0.000 2.387 102 H HA -0.339 nan 4.556 nan 0.000 0.299 102 H C 2.387 177.704 175.328 -0.019 0.000 1.090 102 H CA 3.634 59.612 56.048 -0.115 0.000 1.332 102 H CB -0.373 29.259 29.762 -0.216 0.000 1.386 102 H HN -0.736 7.301 8.280 -0.104 0.180 0.516 103 N N -0.680 118.017 118.700 -0.004 0.000 2.417 103 N HA -0.260 nan 4.740 nan 0.000 0.187 103 N C 1.293 176.772 175.510 -0.052 0.000 1.027 103 N CA 2.476 55.510 53.050 -0.026 0.000 0.891 103 N CB -0.108 38.385 38.487 0.011 0.000 0.956 103 N HN -0.531 7.871 8.380 0.037 0.000 0.442 104 L N -3.642 117.550 121.223 -0.052 0.000 2.357 104 L HA 0.035 nan 4.340 nan 0.000 0.211 104 L C 0.665 177.554 176.870 0.031 0.000 1.075 104 L CA 1.315 56.147 54.840 -0.013 0.000 0.830 104 L CB 0.292 42.334 42.059 -0.029 0.000 0.996 104 L HN -0.635 7.486 8.230 -0.063 0.072 0.467 105 R N 0.651 121.160 120.500 0.016 0.000 2.061 105 R HA -0.388 nan 4.340 nan 0.000 0.230 105 R C 1.972 178.403 176.300 0.219 0.000 1.140 105 R CA 3.942 60.115 56.100 0.122 0.000 0.940 105 R CB -0.125 30.210 30.300 0.060 0.000 0.839 105 R HN -0.776 7.461 8.270 -0.055 0.000 0.429 106 E N -3.139 117.100 120.200 0.065 0.000 2.515 106 E HA -0.194 nan 4.350 nan 0.000 0.201 106 E C 1.792 178.453 176.600 0.100 0.000 1.071 106 E CA 2.476 58.923 56.400 0.078 0.000 0.880 106 E CB -0.733 28.951 29.700 -0.027 0.000 0.828 106 E HN 0.263 8.583 8.360 -0.067 0.000 0.540 107 R N 0.295 120.851 120.500 0.093 0.000 2.062 107 R HA -0.071 nan 4.340 nan 0.000 0.218 107 R C 2.415 178.762 176.300 0.079 0.000 1.161 107 R CA 2.640 58.791 56.100 0.085 0.000 0.994 107 R CB 0.336 30.676 30.300 0.065 0.000 0.888 107 R HN -0.407 7.787 8.270 0.084 0.127 0.442 108 Y N 1.918 122.192 120.300 -0.043 0.000 2.193 108 Y HA -0.348 nan 4.550 nan 0.000 0.285 108 Y C 2.113 177.917 175.900 -0.160 0.000 1.166 108 Y CA 2.988 60.995 58.100 -0.155 0.000 1.181 108 Y CB -0.196 38.090 38.460 -0.289 0.000 0.976 108 Y HN -0.052 8.327 8.280 0.165 0.000 0.520 109 F N -2.175 117.533 119.950 -0.403 0.000 2.641 109 F HA -0.197 nan 4.527 nan 0.000 0.298 109 F C 0.622 176.310 175.800 -0.187 0.000 1.146 109 F CA 2.137 59.909 58.000 -0.379 0.000 1.464 109 F CB -0.533 38.365 39.000 -0.169 0.000 1.101 109 F HN -0.412 7.867 8.300 -0.035 0.000 0.585 110 S N -2.902 112.832 115.700 0.058 0.000 2.548 110 S HA 0.117 nan 4.470 nan 0.000 0.215 110 S C 0.301 175.005 174.600 0.173 0.000 0.976 110 S CA 0.113 58.388 58.200 0.126 0.000 0.908 110 S CB 0.801 64.087 63.200 0.144 0.000 0.781 110 S HN -0.229 7.926 8.310 0.036 0.177 0.519 111 G N -1.627 107.177 108.800 0.006 0.000 2.259 111 G HA2 -0.254 nan 3.960 nan 0.000 0.217 111 G HA3 -0.254 nan 3.960 nan 0.000 0.217 111 G C -0.821 174.096 174.900 0.028 0.000 1.001 111 G CA -0.208 44.880 45.100 -0.020 0.000 0.627 111 G HN -0.396 7.614 8.290 -0.151 0.190 0.501 112 L N 3.425 124.695 121.223 0.078 0.000 2.415 112 L HA -0.011 nan 4.340 nan 0.000 0.269 112 L C 0.545 177.465 176.870 0.084 0.000 1.244 112 L CA -0.355 54.542 54.840 0.096 0.000 1.113 112 L CB -1.650 40.469 42.059 0.101 0.000 1.352 112 L HN -0.645 7.629 8.230 0.072 0.000 0.433 113 I N 0.515 121.136 120.570 0.086 0.000 2.086 113 I HA -0.224 nan 4.170 nan 0.000 0.233 113 I C 0.051 176.177 176.117 0.015 0.000 1.060 113 I CA 2.553 63.874 61.300 0.035 0.000 1.326 113 I CB -0.036 37.926 38.000 -0.063 0.000 1.067 113 I HN -0.383 7.842 8.210 0.085 0.036 0.398 114 Y N -0.960 119.306 120.300 -0.057 0.000 2.411 114 Y HA -0.056 nan 4.550 nan 0.000 0.333 114 Y C -0.864 174.962 175.900 -0.122 0.000 1.186 114 Y CA 0.323 58.361 58.100 -0.102 0.000 1.381 114 Y CB 0.042 38.421 38.460 -0.135 0.000 1.273 114 Y HN -0.620 7.969 8.280 0.515 0.000 0.546 115 T N 2.583 117.143 114.554 0.010 0.000 3.032 115 T HA 0.343 nan 4.350 nan 0.000 0.312 115 T C -1.720 172.932 174.700 -0.079 0.000 1.078 115 T CA -0.321 61.759 62.100 -0.034 0.000 1.028 115 T CB 2.496 71.362 68.868 -0.003 0.000 1.091 115 T HN 0.667 8.908 8.240 0.002 0.000 0.457 116 Y N 4.736 125.030 120.300 -0.009 0.000 2.425 116 Y HA 0.046 nan 4.550 nan 0.000 0.331 116 Y C -0.173 175.636 175.900 -0.151 0.000 1.157 116 Y CA -0.089 57.975 58.100 -0.060 0.000 1.372 116 Y CB 0.763 39.206 38.460 -0.028 0.000 1.253 116 Y HN 0.237 8.583 8.280 0.109 0.000 0.536 117 S N 3.844 119.481 115.700 -0.104 0.000 2.422 117 S HA 0.192 nan 4.470 nan 0.000 0.226 117 S C 0.514 174.908 174.600 -0.343 0.000 1.242 117 S CA -1.424 56.569 58.200 -0.345 0.000 1.231 117 S CB -0.808 61.973 63.200 -0.699 0.000 1.067 117 S HN 0.291 8.563 8.310 -0.063 0.000 0.462 118 G N 2.843 111.557 108.800 -0.144 0.000 2.609 118 G HA2 -0.453 nan 3.960 nan 0.000 0.288 118 G HA3 -0.453 nan 3.960 nan 0.000 0.288 118 G C -0.690 174.186 174.900 -0.039 0.000 1.211 118 G CA 1.004 46.048 45.100 -0.093 0.000 0.963 118 G HN 0.257 8.958 8.290 -0.086 -0.463 0.541 119 L N 2.637 123.885 121.223 0.042 0.000 2.068 119 L HA 0.056 nan 4.340 nan 0.000 0.204 119 L C 0.001 177.029 176.870 0.263 0.000 1.076 119 L CA 1.209 56.144 54.840 0.159 0.000 0.753 119 L CB 0.685 42.875 42.059 0.219 0.000 0.910 119 L HN 0.194 8.456 8.230 0.052 0.000 0.439 120 F N -6.598 113.460 119.950 0.179 0.000 2.411 120 F HA 0.414 nan 4.527 nan 0.000 0.324 120 F C -1.236 174.672 175.800 0.181 0.000 1.086 120 F CA -3.621 54.495 58.000 0.194 0.000 1.028 120 F CB 1.571 40.661 39.000 0.150 0.000 1.284 120 F HN -0.877 7.525 8.300 0.169 0.000 0.501 121 C N -1.953 117.480 119.300 0.221 0.000 2.498 121 C HA 0.683 nan 4.460 nan 0.000 0.316 121 C C -1.187 173.851 174.990 0.081 0.000 1.209 121 C CA -2.517 56.533 59.018 0.053 0.000 1.518 121 C CB 1.596 29.340 27.740 0.006 0.000 2.147 121 C HN 0.267 8.719 8.230 0.370 0.000 0.483 122 V N 3.634 123.541 119.914 -0.011 0.000 2.498 122 V HA 0.488 nan 4.120 nan 0.000 0.279 122 V C -1.043 175.010 176.094 -0.068 0.000 1.048 122 V CA 0.056 62.353 62.300 -0.005 0.000 0.967 122 V CB 0.411 32.215 31.823 -0.031 0.000 0.988 122 V HN 0.512 8.655 8.190 -0.078 0.000 0.473 123 V N 7.418 127.248 119.914 -0.141 0.000 2.380 123 V HA 0.400 nan 4.120 nan 0.000 0.272 123 V C -0.861 175.038 176.094 -0.326 0.000 1.011 123 V CA -1.382 60.719 62.300 -0.332 0.000 0.826 123 V CB 0.271 31.858 31.823 -0.392 0.000 1.040 123 V HN 0.240 8.364 8.190 -0.110 0.000 0.441 124 I N 6.036 126.423 120.570 -0.304 0.000 2.945 124 I HA 0.053 nan 4.170 nan 0.000 0.292 124 I C -0.464 175.427 176.117 -0.376 0.000 1.093 124 I CA -0.126 60.977 61.300 -0.328 0.000 1.336 124 I CB 0.925 38.719 38.000 -0.344 0.000 1.435 124 I HN -0.400 7.648 8.210 -0.269 0.000 0.593 125 N N 5.153 123.597 118.700 -0.427 0.000 2.472 125 N HA 0.122 nan 4.740 nan 0.000 0.277 125 N C -1.873 173.416 175.510 -0.368 0.000 1.081 125 N CA -1.783 50.993 53.050 -0.456 0.000 0.973 125 N CB 1.036 39.136 38.487 -0.644 0.000 1.105 125 N HN -0.118 8.003 8.380 -0.432 0.000 0.470 126 P HA -0.012 nan 4.420 nan 0.000 0.220 126 P C -0.618 176.775 177.300 0.155 0.000 1.154 126 P CA 0.667 63.831 63.100 0.107 0.000 0.830 126 P CB 0.898 32.605 31.700 0.011 0.000 0.803 127 Y N -2.654 117.631 120.300 -0.025 0.000 3.078 127 Y HA -0.454 nan 4.550 nan 0.000 0.202 127 Y C -1.158 174.733 175.900 -0.016 0.000 1.322 127 Y CA 0.579 58.668 58.100 -0.020 0.000 1.118 127 Y CB -2.218 36.232 38.460 -0.017 0.000 1.343 127 Y HN -0.109 8.276 8.280 -0.247 -0.253 0.499 128 K N -0.991 119.458 120.400 0.082 0.000 2.557 128 K HA 0.166 nan 4.320 nan 0.000 0.261 128 K C -1.288 175.317 176.600 0.009 0.000 0.932 128 K CA -1.161 55.143 56.287 0.028 0.000 0.829 128 K CB 2.554 35.030 32.500 -0.041 0.000 1.358 128 K HN -0.704 7.568 8.250 0.036 0.000 0.430 129 Q N 4.335 124.152 119.800 0.030 0.000 2.815 129 Q HA 0.022 nan 4.340 nan 0.000 0.235 129 Q C -0.772 175.258 176.000 0.050 0.000 1.354 129 Q CA 0.108 55.943 55.803 0.054 0.000 0.953 129 Q CB -1.071 27.707 28.738 0.066 0.000 1.613 129 Q HN 0.375 8.665 8.270 0.034 0.000 0.572 130 L N 4.127 125.365 121.223 0.024 0.000 2.418 130 L HA 0.203 nan 4.340 nan 0.000 0.274 130 L C 0.265 177.176 176.870 0.068 0.000 1.135 130 L CA -2.021 52.835 54.840 0.026 0.000 0.870 130 L CB -0.160 41.866 42.059 -0.055 0.000 1.154 130 L HN -0.178 8.033 8.230 0.016 0.028 0.462 131 P HA -0.049 nan 4.420 nan 0.000 0.269 131 P C -0.260 177.011 177.300 -0.048 0.000 1.376 131 P CA 0.480 63.618 63.100 0.063 0.000 0.775 131 P CB -1.501 30.249 31.700 0.083 0.000 1.345 132 I N -3.718 116.706 120.570 -0.244 0.000 3.648 132 I HA 0.039 nan 4.170 nan 0.000 0.305 132 I C -2.168 173.409 176.117 -0.901 0.000 1.345 132 I CA 0.002 60.964 61.300 -0.563 0.000 1.325 132 I CB -2.124 35.422 38.000 -0.757 0.000 1.188 132 I HN -0.207 7.784 8.210 -0.193 0.103 0.460 133 Y N 0.610 120.929 120.300 0.032 0.000 2.513 133 Y HA 0.201 nan 4.550 nan 0.000 0.340 133 Y C -1.240 174.742 175.900 0.136 0.000 1.055 133 Y CA -0.595 57.565 58.100 0.100 0.000 1.020 133 Y CB 2.815 41.328 38.460 0.088 0.000 1.301 133 Y HN -0.093 8.049 8.280 -0.072 0.095 0.453 134 S N -0.854 115.055 115.700 0.348 0.000 2.636 134 S HA -0.035 nan 4.470 nan 0.000 0.268 134 S C -0.399 174.335 174.600 0.224 0.000 1.021 134 S CA -0.481 57.870 58.200 0.252 0.000 0.952 134 S CB 1.016 64.318 63.200 0.170 0.000 1.216 134 S HN -0.381 8.190 8.310 0.434 0.000 0.472 135 E N 1.327 121.617 120.200 0.151 0.000 2.331 135 E HA -0.331 nan 4.350 nan 0.000 0.199 135 E C 1.276 177.932 176.600 0.095 0.000 1.008 135 E CA 3.155 59.611 56.400 0.093 0.000 0.843 135 E CB -0.452 29.271 29.700 0.039 0.000 0.761 135 E HN 0.182 8.628 8.360 0.143 0.000 0.507 136 K N 0.201 120.671 120.400 0.117 0.000 2.044 136 K HA -0.277 nan 4.320 nan 0.000 0.210 136 K C 1.605 178.310 176.600 0.174 0.000 1.049 136 K CA 3.304 59.663 56.287 0.120 0.000 0.927 136 K CB -0.015 32.550 32.500 0.109 0.000 0.713 136 K HN -0.583 7.703 8.250 0.123 0.038 0.443 137 I N -3.080 117.623 120.570 0.221 0.000 3.419 137 I HA -0.142 nan 4.170 nan 0.000 0.286 137 I C 2.455 178.800 176.117 0.381 0.000 1.268 137 I CA 0.742 62.225 61.300 0.305 0.000 1.414 137 I CB -0.885 37.236 38.000 0.202 0.000 1.074 137 I HN -0.288 7.921 8.210 0.217 0.132 0.457 138 I N 2.091 122.790 120.570 0.215 0.000 2.185 138 I HA -0.398 nan 4.170 nan 0.000 0.235 138 I C 1.905 178.084 176.117 0.104 0.000 1.069 138 I CA 2.956 64.272 61.300 0.027 0.000 1.354 138 I CB -1.084 36.820 38.000 -0.160 0.000 1.093 138 I HN -0.637 7.522 8.210 0.187 0.163 0.411 139 D N -0.711 119.721 120.400 0.054 0.000 2.219 139 D HA -0.190 nan 4.640 nan 0.000 0.205 139 D C 3.003 179.366 176.300 0.105 0.000 0.970 139 D CA 3.251 57.275 54.000 0.041 0.000 0.851 139 D CB -0.013 40.779 40.800 -0.013 0.000 0.943 139 D HN -0.257 8.133 8.370 0.033 0.000 0.488 140 M N 0.294 120.003 119.600 0.182 0.000 2.065 140 M HA -0.360 nan 4.480 nan 0.000 0.259 140 M C 1.441 177.856 176.300 0.192 0.000 1.069 140 M CA 3.983 59.403 55.300 0.199 0.000 1.110 140 M CB 0.233 33.006 32.600 0.288 0.000 1.328 140 M HN 0.212 8.617 8.290 0.193 0.000 0.405 141 Y N -6.407 113.970 120.300 0.129 0.000 2.462 141 Y HA 0.001 nan 4.550 nan 0.000 0.293 141 Y C -1.505 174.476 175.900 0.136 0.000 1.195 141 Y CA -1.212 56.976 58.100 0.146 0.000 1.276 141 Y CB -0.652 37.947 38.460 0.231 0.000 1.082 141 Y HN -0.765 7.887 8.280 0.619 0.000 0.514 142 K N 0.380 120.904 120.400 0.206 0.000 2.312 142 K HA -0.178 nan 4.320 nan 0.000 0.287 142 K C 0.432 177.095 176.600 0.104 0.000 1.062 142 K CA 0.269 56.637 56.287 0.135 0.000 0.934 142 K CB -0.197 32.313 32.500 0.018 0.000 1.027 142 K HN -1.038 7.154 8.250 0.158 0.153 0.478 143 G N 6.158 115.042 108.800 0.140 0.000 2.176 143 G HA2 -0.374 nan 3.960 nan 0.000 0.252 143 G HA3 -0.374 nan 3.960 nan 0.000 0.252 143 G C -0.855 174.081 174.900 0.060 0.000 1.024 143 G CA 0.523 45.678 45.100 0.092 0.000 0.755 143 G HN 0.160 8.790 8.290 0.222 -0.208 0.507 144 K N 0.064 120.515 120.400 0.085 0.000 2.213 144 K HA 0.211 nan 4.320 nan 0.000 0.270 144 K C -0.475 176.130 176.600 0.009 0.000 1.002 144 K CA -2.366 53.940 56.287 0.032 0.000 0.868 144 K CB 1.601 34.122 32.500 0.035 0.000 1.093 144 K HN -0.457 7.948 8.250 0.140 -0.071 0.454 145 K N 6.734 127.105 120.400 -0.049 0.000 2.447 145 K HA -0.088 nan 4.320 nan 0.000 0.281 145 K C 1.251 177.802 176.600 -0.082 0.000 1.031 145 K CA 1.091 57.333 56.287 -0.074 0.000 1.019 145 K CB 0.430 32.852 32.500 -0.129 0.000 0.918 145 K HN 0.470 8.680 8.250 -0.066 0.000 0.476 146 R N 5.159 125.649 120.500 -0.016 0.000 2.105 146 R HA -0.365 nan 4.340 nan 0.000 0.239 146 R C 2.312 178.643 176.300 0.052 0.000 1.135 146 R CA 3.287 59.406 56.100 0.032 0.000 0.967 146 R CB -0.646 29.674 30.300 0.033 0.000 0.861 146 R HN 0.766 9.031 8.270 -0.008 0.000 0.442 147 H N -1.889 117.178 119.070 -0.006 0.000 2.489 147 H HA -0.047 nan 4.556 nan 0.000 0.293 147 H C 0.915 176.245 175.328 0.003 0.000 1.066 147 H CA 2.029 58.075 56.048 -0.004 0.000 1.305 147 H CB -1.135 28.618 29.762 -0.015 0.000 1.386 147 H HN 0.158 8.441 8.280 0.060 0.033 0.551 148 E N -1.221 118.929 120.200 -0.083 0.000 2.489 148 E HA -0.002 nan 4.350 nan 0.000 0.193 148 E C -0.234 176.319 176.600 -0.080 0.000 1.057 148 E CA 0.339 56.702 56.400 -0.062 0.000 0.866 148 E CB 0.614 30.198 29.700 -0.195 0.000 0.916 148 E HN -0.396 7.787 8.360 -0.222 0.043 0.500 149 M N -0.490 119.037 119.600 -0.121 0.000 2.165 149 M HA 0.364 nan 4.480 nan 0.000 0.283 149 M C -2.540 173.671 176.300 -0.148 0.000 0.978 149 M CA -3.555 51.541 55.300 -0.339 0.000 0.948 149 M CB 1.670 33.798 32.600 -0.786 0.000 1.599 149 M HN -0.315 7.787 8.290 -0.054 0.156 0.450 150 P HA 0.148 nan 4.420 nan 0.000 0.269 150 P C -1.800 175.518 177.300 0.031 0.000 1.211 150 P CA -1.101 61.985 63.100 -0.024 0.000 0.781 150 P CB -0.674 30.887 31.700 -0.232 0.000 0.877 151 P HA -0.218 nan 4.420 nan 0.000 0.250 151 P C -1.558 175.592 177.300 -0.251 0.000 1.198 151 P CA 0.815 63.771 63.100 -0.240 0.000 1.118 151 P CB -1.033 30.488 31.700 -0.298 0.000 1.208 152 H N 3.130 121.935 119.070 -0.441 0.000 3.079 152 H HA 0.167 nan 4.556 nan 0.000 0.356 152 H C 0.104 175.004 175.328 -0.713 0.000 1.221 152 H CA -0.973 54.529 56.048 -0.909 0.000 1.185 152 H CB 3.332 32.721 29.762 -0.621 0.000 1.882 152 H HN -0.532 7.705 8.280 -0.071 0.000 0.543 153 I N 5.072 124.778 120.570 -1.439 0.000 2.191 153 I HA -0.464 nan 4.170 nan 0.000 0.248 153 I C 0.894 176.715 176.117 -0.495 0.000 1.061 153 I CA 3.191 64.019 61.300 -0.786 0.000 1.329 153 I CB 0.210 37.862 38.000 -0.580 0.000 1.024 153 I HN 0.651 7.562 8.210 -2.165 0.000 0.423 154 Y N -2.482 117.375 120.300 -0.738 0.000 2.569 154 Y HA -0.323 nan 4.550 nan 0.000 0.293 154 Y C 1.370 177.123 175.900 -0.245 0.000 1.144 154 Y CA 0.297 58.066 58.100 -0.553 0.000 1.321 154 Y CB -1.850 36.303 38.460 -0.511 0.000 0.982 154 Y HN -0.493 7.037 8.280 -1.249 0.000 0.558 155 A N 0.489 123.373 122.820 0.106 0.000 1.929 155 A HA -0.266 nan 4.320 nan 0.000 0.216 155 A C 1.680 179.312 177.584 0.080 0.000 1.176 155 A CA 3.164 55.308 52.037 0.178 0.000 0.628 155 A CB -0.937 18.210 19.000 0.245 0.000 0.816 155 A HN -0.028 8.091 8.150 0.009 0.036 0.444 156 I N -1.476 119.102 120.570 0.013 0.000 2.353 156 I HA -0.497 nan 4.170 nan 0.000 0.248 156 I C 1.694 177.803 176.117 -0.013 0.000 1.119 156 I CA 3.605 64.922 61.300 0.029 0.000 1.417 156 I CB -0.263 37.752 38.000 0.024 0.000 1.078 156 I HN -0.084 7.987 8.210 -0.052 0.107 0.421 157 A N -0.345 122.399 122.820 -0.127 0.000 1.873 157 A HA -0.355 nan 4.320 nan 0.000 0.215 157 A C 1.745 179.247 177.584 -0.137 0.000 1.186 157 A CA 3.340 55.229 52.037 -0.246 0.000 0.616 157 A CB -1.011 17.574 19.000 -0.691 0.000 0.823 157 A HN -0.414 7.612 8.150 -0.156 0.031 0.442 158 D N -2.402 117.936 120.400 -0.103 0.000 2.084 158 D HA -0.278 nan 4.640 nan 0.000 0.194 158 D C 2.178 178.568 176.300 0.151 0.000 0.990 158 D CA 3.913 58.027 54.000 0.190 0.000 0.826 158 D CB 0.346 41.285 40.800 0.232 0.000 0.971 158 D HN -0.171 8.055 8.370 -0.239 0.000 0.453 159 T N 2.057 116.667 114.554 0.093 0.000 2.822 159 T HA -0.351 nan 4.350 nan 0.000 0.270 159 T C 1.884 176.628 174.700 0.075 0.000 1.064 159 T CA 4.195 66.340 62.100 0.075 0.000 1.131 159 T CB -0.706 68.207 68.868 0.075 0.000 0.858 159 T HN -0.334 7.954 8.240 0.079 0.000 0.483 160 A N 2.154 125.032 122.820 0.097 0.000 1.835 160 A HA -0.219 nan 4.320 nan 0.000 0.215 160 A C 1.038 178.735 177.584 0.188 0.000 1.199 160 A CA 3.189 55.298 52.037 0.120 0.000 0.615 160 A CB -0.973 18.104 19.000 0.127 0.000 0.838 160 A HN 0.006 8.195 8.150 0.085 0.012 0.444 161 Y N 0.546 120.915 120.300 0.114 0.000 2.181 161 Y HA -0.343 nan 4.550 nan 0.000 0.288 161 Y C 1.969 177.893 175.900 0.039 0.000 1.146 161 Y CA 2.077 60.245 58.100 0.114 0.000 1.164 161 Y CB -0.083 38.443 38.460 0.109 0.000 0.982 161 Y HN -0.773 7.639 8.280 0.329 0.065 0.515 162 R N -1.914 118.528 120.500 -0.096 0.000 2.075 162 R HA -0.355 nan 4.340 nan 0.000 0.230 162 R C 2.986 179.203 176.300 -0.139 0.000 1.140 162 R CA 2.472 58.464 56.100 -0.179 0.000 0.928 162 R CB -0.320 29.942 30.300 -0.064 0.000 0.834 162 R HN 0.387 8.591 8.270 0.076 0.111 0.429 163 S N 0.817 116.485 115.700 -0.055 0.000 2.365 163 S HA -0.344 nan 4.470 nan 0.000 0.225 163 S C 2.141 176.707 174.600 -0.057 0.000 1.039 163 S CA 3.723 61.898 58.200 -0.042 0.000 1.033 163 S CB -0.324 62.871 63.200 -0.007 0.000 0.887 163 S HN -0.467 7.833 8.310 -0.016 0.000 0.447 164 M N 0.890 120.463 119.600 -0.044 0.000 2.192 164 M HA -0.320 nan 4.480 nan 0.000 0.259 164 M C 0.851 177.105 176.300 -0.077 0.000 1.071 164 M CA 3.691 58.968 55.300 -0.039 0.000 1.082 164 M CB 0.221 32.857 32.600 0.060 0.000 1.373 164 M HN -0.729 7.553 8.290 -0.012 0.000 0.408 165 L N -5.307 115.827 121.223 -0.148 0.000 2.629 165 L HA -0.093 nan 4.340 nan 0.000 0.230 165 L C 0.581 177.371 176.870 -0.133 0.000 1.151 165 L CA 0.484 55.221 54.840 -0.172 0.000 0.924 165 L CB -0.421 41.462 42.059 -0.294 0.000 1.137 165 L HN -0.564 7.433 8.230 -0.188 0.120 0.457 166 Q N -0.548 119.191 119.800 -0.101 0.000 2.013 166 Q HA 0.159 nan 4.340 nan 0.000 0.158 166 Q C 1.527 177.495 176.000 -0.053 0.000 0.517 166 Q CA 1.234 56.990 55.803 -0.079 0.000 0.753 166 Q CB 1.475 30.169 28.738 -0.074 0.000 1.005 166 Q HN 0.169 8.214 8.270 -0.090 0.171 0.393 167 D N -1.307 119.070 120.400 -0.039 0.000 2.224 167 D HA -0.189 nan 4.640 nan 0.000 0.205 167 D C 0.657 176.938 176.300 -0.033 0.000 0.965 167 D CA 1.196 55.183 54.000 -0.022 0.000 0.852 167 D CB 0.569 41.368 40.800 -0.002 0.000 0.947 167 D HN -0.445 7.901 8.370 -0.041 0.000 0.494 168 R N -5.816 114.655 120.500 -0.048 0.000 3.656 168 R HA -0.500 nan 4.340 nan 0.000 0.297 168 R C -1.241 175.017 176.300 -0.070 0.000 1.166 168 R CA 0.725 56.788 56.100 -0.061 0.000 0.799 168 R CB -2.856 27.410 30.300 -0.056 0.000 1.285 168 R HN -0.074 8.159 8.270 -0.049 0.007 0.477 169 E N -0.037 120.126 120.200 -0.062 0.000 2.373 169 E HA -0.104 nan 4.350 nan 0.000 0.267 169 E C -0.724 175.795 176.600 -0.135 0.000 1.032 169 E CA -0.295 56.061 56.400 -0.074 0.000 0.889 169 E CB 1.169 30.845 29.700 -0.040 0.000 0.984 169 E HN -0.583 8.019 8.360 -0.048 -0.270 0.425 170 D N 4.182 124.449 120.400 -0.222 0.000 2.343 170 D HA 0.000 nan 4.640 nan 0.000 0.255 170 D C -0.621 175.548 176.300 -0.218 0.000 1.187 170 D CA 0.294 54.056 54.000 -0.397 0.000 0.875 170 D CB 0.641 40.842 40.800 -0.999 0.000 1.136 170 D HN 0.208 8.458 8.370 -0.200 0.000 0.469 171 Q N 2.768 122.475 119.800 -0.156 0.000 2.227 171 Q HA 0.735 nan 4.340 nan 0.000 0.245 171 Q C -0.558 175.436 176.000 -0.009 0.000 0.926 171 Q CA -1.361 54.412 55.803 -0.051 0.000 0.895 171 Q CB 2.333 31.067 28.738 -0.005 0.000 1.230 171 Q HN 0.196 8.350 8.270 -0.194 0.000 0.450 172 S N -0.447 115.250 115.700 -0.004 0.000 2.651 172 S HA 0.837 nan 4.470 nan 0.000 0.279 172 S C -1.362 173.226 174.600 -0.021 0.000 1.148 172 S CA -1.612 56.596 58.200 0.014 0.000 0.837 172 S CB 3.484 66.706 63.200 0.036 0.000 1.138 172 S HN 0.208 8.504 8.310 -0.023 0.000 0.478 173 I N -0.655 119.910 120.570 -0.008 0.000 2.571 173 I HA 0.532 nan 4.170 nan 0.000 0.289 173 I C -1.905 174.218 176.117 0.011 0.000 1.115 173 I CA -0.124 61.170 61.300 -0.010 0.000 1.045 173 I CB 2.980 40.987 38.000 0.011 0.000 1.238 173 I HN 0.751 8.877 8.210 0.022 0.097 0.424 174 L N 4.759 125.986 121.223 0.007 0.000 2.441 174 L HA 0.564 nan 4.340 nan 0.000 0.270 174 L C -1.268 175.706 176.870 0.174 0.000 0.973 174 L CA -1.319 53.569 54.840 0.081 0.000 0.842 174 L CB 3.288 45.374 42.059 0.045 0.000 1.239 174 L HN 0.902 9.127 8.230 -0.008 0.000 0.406 175 C N 5.212 124.584 119.300 0.120 0.000 2.319 175 C HA 0.696 nan 4.460 nan 0.000 0.335 175 C C -0.456 174.570 174.990 0.060 0.000 1.274 175 C CA -0.803 58.269 59.018 0.090 0.000 1.806 175 C CB -0.031 27.736 27.740 0.044 0.000 2.329 175 C HN 0.499 8.783 8.230 0.090 0.000 0.524 176 T N -1.064 113.503 114.554 0.022 0.000 2.927 176 T HA 0.745 nan 4.350 nan 0.000 0.286 176 T C -0.903 173.762 174.700 -0.059 0.000 1.040 176 T CA -2.381 59.701 62.100 -0.030 0.000 1.010 176 T CB 3.101 71.887 68.868 -0.137 0.000 1.177 176 T HN 0.344 8.590 8.240 0.009 0.000 0.546 177 G N -0.409 108.355 108.800 -0.060 0.000 2.619 177 G HA2 -0.307 nan 3.960 nan 0.000 0.686 177 G HA3 -0.307 nan 3.960 nan 0.000 0.686 177 G C -1.764 173.094 174.900 -0.070 0.000 1.256 177 G CA -0.318 44.717 45.100 -0.108 0.000 0.826 177 G HN -0.030 8.251 8.290 -0.016 0.000 0.619 178 E N 0.318 120.457 120.200 -0.103 0.000 4.517 178 E HA 0.370 nan 4.350 nan 0.000 0.408 178 E C -0.835 175.808 176.600 0.073 0.000 1.456 178 E CA -0.875 55.532 56.400 0.010 0.000 2.449 178 E CB 1.271 30.945 29.700 -0.044 0.000 1.556 178 E HN 0.095 8.364 8.360 -0.151 0.000 0.781 179 S N -0.629 115.153 115.700 0.137 0.000 2.525 179 S HA 0.055 nan 4.470 nan 0.000 0.278 179 S C 0.925 175.577 174.600 0.086 0.000 1.234 179 S CA 0.110 58.373 58.200 0.106 0.000 1.058 179 S CB 0.177 63.452 63.200 0.124 0.000 0.983 179 S HN -0.107 8.317 8.310 0.190 0.000 0.495 180 G N 6.965 115.792 108.800 0.045 0.000 2.527 180 G HA2 -0.274 nan 3.960 nan 0.000 0.218 180 G HA3 -0.274 nan 3.960 nan 0.000 0.218 180 G C -0.015 174.822 174.900 -0.105 0.000 1.177 180 G CA 0.405 45.520 45.100 0.025 0.000 0.695 180 G HN 0.539 8.850 8.290 0.035 0.000 0.517 181 A N 1.784 124.534 122.820 -0.117 0.000 1.885 181 A HA -0.290 nan 4.320 nan 0.000 0.260 181 A C -0.019 177.433 177.584 -0.219 0.000 2.398 181 A CA 2.101 54.029 52.037 -0.183 0.000 0.786 181 A CB 0.083 19.006 19.000 -0.129 0.000 0.834 181 A HN -0.338 7.695 8.150 -0.056 0.084 0.548 182 G N -6.097 102.609 108.800 -0.156 0.000 2.321 182 G HA2 -0.222 nan 3.960 nan 0.000 0.219 182 G HA3 -0.222 nan 3.960 nan 0.000 0.219 182 G C -0.040 174.804 174.900 -0.093 0.000 1.057 182 G CA -0.310 44.700 45.100 -0.149 0.000 0.849 182 G HN 0.170 8.393 8.290 -0.111 0.000 0.520 183 K N 0.654 121.018 120.400 -0.061 0.000 2.137 183 K HA -0.085 nan 4.320 nan 0.000 0.202 183 K C 1.527 178.116 176.600 -0.017 0.000 1.052 183 K CA 2.015 58.282 56.287 -0.032 0.000 0.961 183 K CB -0.753 31.738 32.500 -0.015 0.000 0.741 183 K HN 0.154 8.371 8.250 -0.056 0.000 0.452 184 T N 0.410 114.955 114.554 -0.016 0.000 2.684 184 T HA -0.270 nan 4.350 nan 0.000 0.267 184 T C 1.776 176.467 174.700 -0.015 0.000 1.036 184 T CA 4.390 66.487 62.100 -0.005 0.000 1.148 184 T CB -0.820 68.045 68.868 -0.006 0.000 0.863 184 T HN 0.384 8.611 8.240 -0.023 0.000 0.436 185 E N 0.659 120.839 120.200 -0.033 0.000 2.076 185 E HA -0.145 nan 4.350 nan 0.000 0.190 185 E C 1.498 178.062 176.600 -0.059 0.000 0.979 185 E CA 2.049 58.416 56.400 -0.055 0.000 0.807 185 E CB -0.753 28.909 29.700 -0.063 0.000 0.761 185 E HN 0.186 8.505 8.360 -0.037 0.020 0.454 186 N N -0.291 118.387 118.700 -0.037 0.000 3.210 186 N HA -0.086 nan 4.740 nan 0.000 0.314 186 N C -0.785 174.723 175.510 -0.003 0.000 1.291 186 N CA 1.376 54.418 53.050 -0.013 0.000 1.202 186 N CB -0.832 37.664 38.487 0.014 0.000 1.475 186 N HN -0.581 7.776 8.380 -0.039 0.000 0.554 187 T N 0.014 114.562 114.554 -0.010 0.000 3.719 187 T HA 0.175 nan 4.350 nan 0.000 0.285 187 T C 1.119 175.816 174.700 -0.005 0.000 0.963 187 T CA 1.373 63.472 62.100 -0.002 0.000 1.154 187 T CB 1.674 70.545 68.868 0.005 0.000 1.123 187 T HN 0.114 8.245 8.240 -0.026 0.093 0.448 188 K N 3.239 123.630 120.400 -0.015 0.000 2.074 188 K HA -0.414 nan 4.320 nan 0.000 0.209 188 K C 1.940 178.534 176.600 -0.010 0.000 1.048 188 K CA 3.957 60.235 56.287 -0.016 0.000 0.926 188 K CB -0.139 32.343 32.500 -0.029 0.000 0.713 188 K HN -0.352 7.887 8.250 -0.019 0.000 0.444 189 K N -2.172 118.204 120.400 -0.039 0.000 2.211 189 K HA -0.220 nan 4.320 nan 0.000 0.204 189 K C 2.390 179.082 176.600 0.153 0.000 1.047 189 K CA 2.423 58.710 56.287 -0.001 0.000 0.935 189 K CB -0.443 31.966 32.500 -0.152 0.000 0.728 189 K HN -0.456 7.752 8.250 -0.069 0.000 0.452 190 V N -0.591 119.381 119.914 0.097 0.000 2.667 190 V HA -0.260 nan 4.120 nan 0.000 0.252 190 V C 1.531 177.687 176.094 0.103 0.000 1.065 190 V CA 3.812 66.175 62.300 0.106 0.000 1.083 190 V CB -0.705 31.144 31.823 0.043 0.000 0.692 190 V HN -0.063 7.996 8.190 0.045 0.158 0.468 191 I N -0.441 120.163 120.570 0.058 0.000 2.353 191 I HA -0.543 nan 4.170 nan 0.000 0.248 191 I C 1.525 177.662 176.117 0.032 0.000 1.119 191 I CA 3.771 65.091 61.300 0.032 0.000 1.417 191 I CB -0.351 37.657 38.000 0.012 0.000 1.078 191 I HN -0.416 7.681 8.210 0.045 0.140 0.421 192 Q N 0.316 120.156 119.800 0.067 0.000 2.061 192 Q HA -0.440 nan 4.340 nan 0.000 0.204 192 Q C 2.201 178.204 176.000 0.005 0.000 0.984 192 Q CA 3.479 59.330 55.803 0.080 0.000 0.846 192 Q CB -0.119 28.701 28.738 0.136 0.000 0.902 192 Q HN -0.542 7.772 8.270 0.073 0.000 0.421 193 Y N -0.102 120.134 120.300 -0.107 0.000 2.070 193 Y HA -0.458 nan 4.550 nan 0.000 0.280 193 Y C 2.047 177.799 175.900 -0.246 0.000 1.148 193 Y CA 3.722 61.679 58.100 -0.239 0.000 1.125 193 Y CB 0.240 38.557 38.460 -0.240 0.000 0.975 193 Y HN -0.541 7.781 8.280 0.211 0.085 0.492 194 L N -2.496 118.705 121.223 -0.037 0.000 2.083 194 L HA -0.432 nan 4.340 nan 0.000 0.209 194 L C 2.595 179.309 176.870 -0.261 0.000 1.083 194 L CA 3.128 57.874 54.840 -0.157 0.000 0.752 194 L CB -0.668 41.380 42.059 -0.019 0.000 0.899 194 L HN -0.208 8.086 8.230 0.108 0.000 0.433 195 A N -1.446 121.209 122.820 -0.274 0.000 1.986 195 A HA -0.302 nan 4.320 nan 0.000 0.220 195 A C 1.926 179.076 177.584 -0.723 0.000 1.171 195 A CA 3.073 54.873 52.037 -0.396 0.000 0.640 195 A CB -0.911 17.872 19.000 -0.362 0.000 0.811 195 A HN -0.247 7.789 8.150 -0.190 0.000 0.451 196 V N -1.247 118.175 119.914 -0.820 0.000 2.403 196 V HA -0.065 nan 4.120 nan 0.000 0.239 196 V C 0.967 176.820 176.094 -0.401 0.000 1.041 196 V CA 2.793 64.702 62.300 -0.651 0.000 1.051 196 V CB 0.189 31.663 31.823 -0.582 0.000 0.704 196 V HN -0.791 6.962 8.190 -0.670 0.035 0.472 197 V N -1.773 117.843 119.914 -0.498 0.000 2.270 197 V HA -0.181 nan 4.120 nan 0.000 0.245 197 V C 1.656 177.531 176.094 -0.366 0.000 1.043 197 V CA 3.636 65.663 62.300 -0.454 0.000 1.014 197 V CB -0.256 31.152 31.823 -0.692 0.000 0.645 197 V HN -0.162 7.667 8.190 -0.601 0.000 0.447 198 A N -3.803 118.724 122.820 -0.489 0.000 2.218 198 A HA 0.096 nan 4.320 nan 0.000 0.209 198 A C 0.310 177.776 177.584 -0.197 0.000 1.168 198 A CA 0.991 52.645 52.037 -0.638 0.000 0.804 198 A CB 0.480 18.890 19.000 -0.983 0.000 0.834 198 A HN -0.180 7.588 8.150 -0.442 0.116 0.482 199 S N -1.008 114.614 115.700 -0.130 0.000 2.596 199 S HA 0.134 nan 4.470 nan 0.000 0.262 199 S C -0.207 174.294 174.600 -0.165 0.000 1.218 199 S CA 0.203 58.359 58.200 -0.074 0.000 0.998 199 S CB 1.111 64.258 63.200 -0.087 0.000 1.060 199 S HN -0.668 7.478 8.310 -0.196 0.047 0.552 200 S N -1.897 113.611 115.700 -0.320 0.000 2.667 200 S HA 0.326 nan 4.470 nan 0.000 0.292 200 S C -2.213 172.274 174.600 -0.189 0.000 1.126 200 S CA -1.240 56.614 58.200 -0.578 0.000 0.881 200 S CB 1.560 64.116 63.200 -1.073 0.000 1.132 200 S HN -0.278 8.108 8.310 -0.194 -0.193 0.492 201 H N -2.637 116.333 119.070 -0.167 0.000 2.947 201 H HA 0.298 nan 4.556 nan 0.000 0.354 201 H C -0.691 174.597 175.328 -0.068 0.000 1.085 201 H CA -1.158 54.847 56.048 -0.071 0.000 1.253 201 H CB 2.319 32.092 29.762 0.018 0.000 1.757 201 H HN 0.118 8.130 8.280 -0.448 0.000 0.523 202 K N 4.436 124.880 120.400 0.074 0.000 2.449 202 K HA -0.212 nan 4.320 nan 0.000 0.237 202 K C 0.185 176.803 176.600 0.030 0.000 1.265 202 K CA 0.102 56.406 56.287 0.027 0.000 1.193 202 K CB -1.723 30.770 32.500 -0.013 0.000 1.515 202 K HN 0.676 8.952 8.250 0.044 0.000 0.259 203 G N 2.179 111.036 108.800 0.095 0.000 2.725 203 G HA2 -0.394 nan 3.960 nan 0.000 0.220 203 G HA3 -0.394 nan 3.960 nan 0.000 0.220 203 G C -1.988 172.898 174.900 -0.025 0.000 1.357 203 G CA -0.704 44.435 45.100 0.066 0.000 0.866 203 G HN -0.216 8.130 8.290 0.148 0.033 0.548 212 G N 4.000 112.849 108.800 0.081 0.000 2.601 212 G HA2 -0.384 nan 3.960 nan 0.000 0.306 212 G HA3 -0.384 nan 3.960 nan 0.000 0.306 212 G C -2.023 172.936 174.900 0.099 0.000 1.172 212 G CA 0.785 45.936 45.100 0.084 0.000 0.966 212 G HN 0.368 8.706 8.290 0.081 0.000 0.542 213 P HA 0.160 nan 4.420 nan 0.000 0.245 213 P C -0.959 176.373 177.300 0.053 0.000 1.199 213 P CA 0.550 63.694 63.100 0.075 0.000 0.807 213 P CB 0.660 32.386 31.700 0.044 0.000 1.002 214 S N 1.578 117.309 115.700 0.053 0.000 2.489 214 S HA 0.063 nan 4.470 nan 0.000 0.277 214 S C -1.431 173.262 174.600 0.154 0.000 1.230 214 S CA 0.632 58.852 58.200 0.033 0.000 1.053 214 S CB 0.578 63.791 63.200 0.022 0.000 0.955 214 S HN -0.237 8.037 8.310 0.060 0.071 0.488 215 F N 4.274 124.147 119.950 -0.129 0.000 2.770 215 F HA 0.064 nan 4.527 nan 0.000 0.313 215 F C -2.176 173.522 175.800 -0.171 0.000 1.154 215 F CA -1.096 56.870 58.000 -0.056 0.000 0.923 215 F CB 3.174 42.261 39.000 0.145 0.000 1.301 215 F HN -0.133 8.097 8.300 -0.116 0.000 0.449 216 S N 3.933 119.067 115.700 -0.944 0.000 2.409 216 S HA 0.194 nan 4.470 nan 0.000 0.308 216 S C -1.134 173.257 174.600 -0.348 0.000 1.080 216 S CA -0.688 57.153 58.200 -0.598 0.000 1.081 216 S CB -0.399 62.494 63.200 -0.512 0.000 1.009 216 S HN 0.049 7.293 8.310 -1.776 0.000 0.502 217 Y N 4.984 125.189 120.300 -0.159 0.000 2.298 217 Y HA 0.038 nan 4.550 nan 0.000 0.329 217 Y C 0.734 176.597 175.900 -0.061 0.000 1.293 217 Y CA -1.072 57.012 58.100 -0.026 0.000 1.388 217 Y CB 1.455 39.932 38.460 0.029 0.000 1.309 217 Y HN -0.421 7.694 8.280 -0.275 0.000 0.544 218 G N -0.590 108.289 108.800 0.132 0.000 2.570 218 G HA2 -0.140 nan 3.960 nan 0.000 0.276 218 G HA3 -0.140 nan 3.960 nan 0.000 0.276 218 G C 0.365 175.285 174.900 0.033 0.000 1.346 218 G CA -0.114 45.012 45.100 0.044 0.000 1.034 218 G HN 0.443 8.818 8.290 0.141 0.000 0.512 219 E N 0.002 120.205 120.200 0.005 0.000 2.015 219 E HA -0.258 nan 4.350 nan 0.000 0.191 219 E C 2.596 179.198 176.600 0.005 0.000 0.991 219 E CA 2.817 59.216 56.400 -0.001 0.000 0.802 219 E CB -0.334 29.360 29.700 -0.012 0.000 0.759 219 E HN 0.239 8.596 8.360 -0.005 0.000 0.447 220 L N -1.369 119.856 121.223 0.004 0.000 2.081 220 L HA -0.340 nan 4.340 nan 0.000 0.212 220 L C 1.107 177.985 176.870 0.015 0.000 1.080 220 L CA 3.057 57.900 54.840 0.005 0.000 0.754 220 L CB -0.403 41.660 42.059 0.006 0.000 0.893 220 L HN -0.205 8.025 8.230 -0.000 0.000 0.433 221 E N -4.127 116.091 120.200 0.031 0.000 2.418 221 E HA -0.253 nan 4.350 nan 0.000 0.197 221 E C 0.186 176.846 176.600 0.099 0.000 1.026 221 E CA 2.672 59.105 56.400 0.056 0.000 0.862 221 E CB -0.713 29.024 29.700 0.062 0.000 0.799 221 E HN 0.009 8.357 8.360 0.028 0.030 0.518 222 K N -0.750 119.689 120.400 0.066 0.000 2.168 222 K HA -0.061 nan 4.320 nan 0.000 0.201 222 K C 2.078 178.685 176.600 0.012 0.000 1.049 222 K CA 2.158 58.473 56.287 0.047 0.000 0.974 222 K CB 0.583 33.091 32.500 0.013 0.000 0.792 222 K HN -0.255 7.821 8.250 0.042 0.199 0.463 223 Q N 0.190 119.987 119.800 -0.004 0.000 2.061 223 Q HA -0.360 nan 4.340 nan 0.000 0.204 223 Q C 2.262 178.245 176.000 -0.028 0.000 0.984 223 Q CA 2.663 58.451 55.803 -0.026 0.000 0.846 223 Q CB 0.014 28.734 28.738 -0.030 0.000 0.902 223 Q HN -0.621 7.649 8.270 0.000 0.000 0.421 224 L N -1.660 119.557 121.223 -0.011 0.000 2.328 224 L HA -0.350 nan 4.340 nan 0.000 0.219 224 L C 0.664 177.524 176.870 -0.017 0.000 1.088 224 L CA 2.830 57.664 54.840 -0.010 0.000 0.795 224 L CB -0.017 42.050 42.059 0.014 0.000 0.888 224 L HN -0.385 7.844 8.230 -0.001 0.000 0.443 225 L N -4.979 116.234 121.223 -0.017 0.000 2.467 225 L HA 0.154 nan 4.340 nan 0.000 0.213 225 L C 1.051 177.894 176.870 -0.045 0.000 1.053 225 L CA 1.251 56.080 54.840 -0.019 0.000 0.847 225 L CB 0.736 42.796 42.059 0.002 0.000 1.075 225 L HN -0.674 7.450 8.230 -0.018 0.096 0.479 226 Q N 0.062 119.822 119.800 -0.066 0.000 3.179 226 Q HA -0.055 nan 4.340 nan 0.000 0.328 226 Q C -0.429 175.501 176.000 -0.116 0.000 1.336 226 Q CA -0.984 54.769 55.803 -0.084 0.000 0.939 226 Q CB -1.727 26.958 28.738 -0.089 0.000 1.658 226 Q HN -0.514 7.715 8.270 -0.068 0.000 0.486 227 A N -0.032 122.726 122.820 -0.103 0.000 1.887 227 A HA -0.004 nan 4.320 nan 0.000 0.210 227 A C 1.107 178.618 177.584 -0.122 0.000 1.221 227 A CA 1.594 53.554 52.037 -0.130 0.000 0.635 227 A CB 0.050 18.983 19.000 -0.112 0.000 0.881 227 A HN -0.086 7.954 8.150 -0.077 0.065 0.456 228 N N -0.779 117.879 118.700 -0.071 0.000 2.104 228 N HA -0.064 nan 4.740 nan 0.000 0.190 228 N C 0.148 175.633 175.510 -0.040 0.000 1.024 228 N CA 2.192 55.218 53.050 -0.039 0.000 0.853 228 N CB -0.975 37.523 38.487 0.018 0.000 1.008 228 N HN 0.374 8.722 8.380 -0.053 0.000 0.424 229 P HA -0.084 nan 4.420 nan 0.000 0.236 229 P C -0.691 176.609 177.300 -0.000 0.000 1.172 229 P CA 1.173 64.271 63.100 -0.004 0.000 0.759 229 P CB -0.621 31.076 31.700 -0.006 0.000 0.843 230 I N -2.650 117.891 120.570 -0.049 0.000 2.556 230 I HA -0.143 nan 4.170 nan 0.000 0.251 230 I C 1.609 177.715 176.117 -0.019 0.000 1.105 230 I CA 1.790 63.078 61.300 -0.021 0.000 1.436 230 I CB 0.656 38.616 38.000 -0.067 0.000 1.139 230 I HN -0.740 7.332 8.210 -0.100 0.078 0.438 231 L N -0.977 120.113 121.223 -0.222 0.000 2.265 231 L HA -0.366 nan 4.340 nan 0.000 0.215 231 L C 1.814 178.647 176.870 -0.061 0.000 1.117 231 L CA 2.675 57.240 54.840 -0.458 0.000 0.782 231 L CB -0.858 40.514 42.059 -1.145 0.000 0.914 231 L HN -0.358 7.715 8.230 -0.261 0.000 0.441 232 E N -2.683 117.576 120.200 0.098 0.000 2.209 232 E HA -0.340 nan 4.350 nan 0.000 0.196 232 E C 1.285 177.844 176.600 -0.068 0.000 0.993 232 E CA 2.670 59.164 56.400 0.158 0.000 0.819 232 E CB -0.566 29.213 29.700 0.133 0.000 0.745 232 E HN 0.045 8.416 8.360 0.056 0.023 0.477 233 A N -1.468 121.307 122.820 -0.075 0.000 1.862 233 A HA 0.046 nan 4.320 nan 0.000 0.211 233 A C 1.133 178.709 177.584 -0.014 0.000 1.220 233 A CA 1.792 53.655 52.037 -0.291 0.000 0.616 233 A CB 0.874 19.890 19.000 0.028 0.000 0.878 233 A HN -0.265 7.825 8.150 0.069 0.101 0.453 234 F N -1.099 118.900 119.950 0.082 0.000 2.651 234 F HA -0.196 nan 4.527 nan 0.000 0.369 234 F C -0.215 175.723 175.800 0.230 0.000 1.187 234 F CA 0.974 59.120 58.000 0.244 0.000 1.335 234 F CB -1.570 37.568 39.000 0.230 0.000 1.707 234 F HN -0.585 8.058 8.300 0.572 0.000 0.637 235 G N -0.623 108.431 108.800 0.422 0.000 3.847 235 G HA2 -0.143 nan 3.960 nan 0.000 0.189 235 G HA3 -0.143 nan 3.960 nan 0.000 0.189 235 G C -1.657 173.589 174.900 0.577 0.000 0.907 235 G CA 0.442 45.757 45.100 0.358 0.000 0.893 235 G HN -0.048 8.444 8.290 0.431 0.057 0.379 236 N N 2.341 121.338 118.700 0.496 0.000 2.515 236 N HA 0.184 nan 4.740 nan 0.000 0.279 236 N C -2.118 173.729 175.510 0.561 0.000 1.164 236 N CA -0.034 53.304 53.050 0.479 0.000 0.982 236 N CB 0.858 39.568 38.487 0.373 0.000 1.170 236 N HN -0.811 7.790 8.380 0.369 0.000 0.474 237 A N -0.784 122.244 122.820 0.346 0.000 2.612 237 A HA 0.312 nan 4.320 nan 0.000 0.293 237 A C -2.600 175.002 177.584 0.030 0.000 1.075 237 A CA -0.841 51.260 52.037 0.107 0.000 0.680 237 A CB 3.393 22.310 19.000 -0.140 0.000 1.279 237 A HN 0.132 8.462 8.150 0.299 0.000 0.411 238 K N 0.914 121.274 120.400 -0.067 0.000 2.316 238 K HA 0.188 nan 4.320 nan 0.000 0.289 238 K C -0.178 176.403 176.600 -0.033 0.000 1.070 238 K CA -0.626 55.623 56.287 -0.064 0.000 0.928 238 K CB 0.533 32.954 32.500 -0.132 0.000 1.039 238 K HN 0.420 8.596 8.250 -0.123 0.000 0.480 239 T N 1.131 115.694 114.554 0.015 0.000 2.893 239 T HA 0.556 nan 4.350 nan 0.000 0.279 239 T C 0.759 175.461 174.700 0.004 0.000 0.991 239 T CA -1.827 60.303 62.100 0.050 0.000 0.950 239 T CB 1.760 70.731 68.868 0.171 0.000 1.223 239 T HN -0.260 7.991 8.240 0.019 0.000 0.585 240 V N -6.552 113.370 119.914 0.013 0.000 3.129 240 V HA 0.271 nan 4.120 nan 0.000 0.259 240 V C 0.345 176.387 176.094 -0.086 0.000 1.116 240 V CA 1.456 63.739 62.300 -0.028 0.000 1.127 240 V CB -0.178 31.640 31.823 -0.008 0.000 0.742 240 V HN 0.280 8.741 8.190 0.056 -0.237 0.474 241 K N -1.024 119.285 120.400 -0.151 0.000 2.214 241 K HA 0.004 nan 4.320 nan 0.000 0.201 241 K C 0.051 176.507 176.600 -0.241 0.000 1.049 241 K CA 0.858 56.965 56.287 -0.300 0.000 0.978 241 K CB 1.497 33.571 32.500 -0.710 0.000 0.842 241 K HN -0.343 7.790 8.250 -0.095 0.060 0.474 242 N N -0.941 117.656 118.700 -0.171 0.000 2.478 242 N HA 0.129 nan 4.740 nan 0.000 0.291 242 N C -0.600 174.897 175.510 -0.022 0.000 1.090 242 N CA -0.169 52.826 53.050 -0.091 0.000 0.911 242 N CB 1.723 40.155 38.487 -0.092 0.000 1.546 242 N HN -0.124 8.177 8.380 -0.132 0.000 0.500 243 D N 5.500 125.882 120.400 -0.030 0.000 2.219 243 D HA -0.283 nan 4.640 nan 0.000 0.205 243 D C -0.389 175.909 176.300 -0.003 0.000 0.970 243 D CA 2.730 56.710 54.000 -0.033 0.000 0.851 243 D CB 0.427 41.196 40.800 -0.051 0.000 0.943 243 D HN 0.484 8.829 8.370 -0.041 0.000 0.488 244 N N -2.299 116.426 118.700 0.042 0.000 2.690 244 N HA 0.133 nan 4.740 nan 0.000 0.255 244 N C -1.918 173.667 175.510 0.125 0.000 1.195 244 N CA -0.115 53.008 53.050 0.120 0.000 0.790 244 N CB 1.601 40.180 38.487 0.153 0.000 1.216 244 N HN -0.328 8.378 8.380 0.025 -0.311 0.528 245 S N 2.242 118.030 115.700 0.147 0.000 2.501 245 S HA 0.214 nan 4.470 nan 0.000 0.301 245 S C -0.645 174.042 174.600 0.146 0.000 1.096 245 S CA -1.754 56.535 58.200 0.148 0.000 1.063 245 S CB 1.985 65.321 63.200 0.226 0.000 1.042 245 S HN -0.236 8.168 8.310 0.156 0.000 0.494 246 S N 3.663 119.390 115.700 0.045 0.000 2.600 246 S HA 0.201 nan 4.470 nan 0.000 0.265 246 S C -0.556 173.977 174.600 -0.111 0.000 1.325 246 S CA 0.916 59.054 58.200 -0.103 0.000 1.002 246 S CB 0.749 63.710 63.200 -0.398 0.000 0.921 246 S HN 0.406 8.726 8.310 0.018 0.000 0.554 247 R N -0.828 119.583 120.500 -0.149 0.000 2.647 247 R HA 0.263 nan 4.340 nan 0.000 0.295 247 R C -2.089 174.251 176.300 0.066 0.000 1.267 247 R CA -0.252 55.823 56.100 -0.041 0.000 1.386 247 R CB 0.311 30.654 30.300 0.071 0.000 1.309 247 R HN 0.464 8.698 8.270 -0.059 0.000 0.692 248 F N -2.211 117.788 119.950 0.082 0.000 2.662 248 F HA 0.808 nan 4.527 nan 0.000 0.312 248 F C -1.545 174.315 175.800 0.101 0.000 1.113 248 F CA -1.524 56.536 58.000 0.099 0.000 0.951 248 F CB 1.796 40.915 39.000 0.197 0.000 1.344 248 F HN -0.586 7.298 8.300 -0.693 0.000 0.462 249 G N -1.962 107.042 108.800 0.340 0.000 2.702 249 G HA2 0.409 nan 3.960 nan 0.000 0.296 249 G HA3 0.409 nan 3.960 nan 0.000 0.296 249 G C -3.118 171.984 174.900 0.336 0.000 1.463 249 G CA 0.735 45.977 45.100 0.237 0.000 0.890 249 G HN -0.124 8.405 8.290 0.399 0.000 0.534 250 K N -0.181 120.392 120.400 0.289 0.000 2.197 250 K HA 1.106 nan 4.320 nan 0.000 0.247 250 K C -2.171 174.675 176.600 0.410 0.000 1.077 250 K CA -2.341 54.162 56.287 0.360 0.000 0.882 250 K CB 4.188 36.831 32.500 0.237 0.000 1.396 250 K HN 0.849 9.212 8.250 0.189 0.000 0.482 251 F N -2.240 117.824 119.950 0.191 0.000 2.744 251 F HA 0.526 nan 4.527 nan 0.000 0.311 251 F C -2.523 173.327 175.800 0.084 0.000 1.144 251 F CA -0.287 57.808 58.000 0.157 0.000 0.938 251 F CB 3.986 43.164 39.000 0.296 0.000 1.292 251 F HN -0.453 8.034 8.300 0.312 0.000 0.444 252 I N 1.958 121.902 120.570 -1.043 0.000 2.722 252 I HA 0.483 nan 4.170 nan 0.000 0.295 252 I C -2.658 172.832 176.117 -1.046 0.000 1.161 252 I CA -1.024 59.796 61.300 -0.800 0.000 1.032 252 I CB 4.871 42.665 38.000 -0.343 0.000 1.244 252 I HN 0.880 8.205 8.210 -1.316 0.095 0.421 253 R N 4.313 124.457 120.500 -0.594 0.000 2.711 253 R HA 0.832 nan 4.340 nan 0.000 0.284 253 R C -1.616 174.558 176.300 -0.210 0.000 0.968 253 R CA -1.526 54.390 56.100 -0.307 0.000 0.924 253 R CB 3.340 33.555 30.300 -0.142 0.000 1.162 253 R HN 0.630 8.549 8.270 -0.446 0.083 0.465 254 I N 4.057 124.504 120.570 -0.205 0.000 2.583 254 I HA 0.170 nan 4.170 nan 0.000 0.276 254 I C -1.144 174.677 176.117 -0.494 0.000 1.089 254 I CA -1.247 59.882 61.300 -0.286 0.000 1.103 254 I CB 0.967 38.801 38.000 -0.275 0.000 1.209 254 I HN 0.503 8.588 8.210 -0.165 0.025 0.484 255 N N 6.433 124.992 118.700 -0.234 0.000 2.513 255 N HA 0.359 nan 4.740 nan 0.000 0.268 255 N C -1.171 174.344 175.510 0.009 0.000 1.180 255 N CA 0.665 53.646 53.050 -0.114 0.000 0.948 255 N CB 0.610 39.100 38.487 0.005 0.000 1.083 255 N HN 0.287 8.475 8.380 -0.144 0.106 0.455 256 F N 1.520 121.545 119.950 0.126 0.000 2.561 256 F HA 0.447 nan 4.527 nan 0.000 0.321 256 F C -0.054 175.796 175.800 0.083 0.000 1.065 256 F CA -2.469 55.593 58.000 0.103 0.000 0.934 256 F CB 3.203 42.266 39.000 0.105 0.000 1.215 256 F HN 0.777 9.180 8.300 0.172 0.000 0.471 257 D N 1.923 122.483 120.400 0.268 0.000 2.063 257 D HA -0.116 nan 4.640 nan 0.000 0.289 257 D C 0.385 176.741 176.300 0.092 0.000 1.111 257 D CA 0.599 54.693 54.000 0.156 0.000 1.023 257 D CB 0.092 40.985 40.800 0.155 0.000 1.152 257 D HN -0.197 8.335 8.370 0.271 0.000 0.465 258 V N -3.523 116.417 119.914 0.043 0.000 2.500 258 V HA 0.001 nan 4.120 nan 0.000 0.243 258 V C 1.344 177.396 176.094 -0.070 0.000 1.039 258 V CA 1.859 64.160 62.300 0.001 0.000 1.053 258 V CB 0.319 32.146 31.823 0.006 0.000 0.695 258 V HN 0.074 8.297 8.190 0.054 0.000 0.463 259 T N -4.464 110.008 114.554 -0.137 0.000 3.088 259 T HA 0.076 nan 4.350 nan 0.000 0.259 259 T C 0.961 175.354 174.700 -0.512 0.000 1.122 259 T CA 0.497 62.398 62.100 -0.332 0.000 1.095 259 T CB 0.261 68.883 68.868 -0.411 0.000 0.930 259 T HN -0.294 8.160 8.240 -0.075 -0.259 0.508 260 G N -0.047 108.526 108.800 -0.378 0.000 2.192 260 G HA2 -0.294 nan 3.960 nan 0.000 0.193 260 G HA3 -0.294 nan 3.960 nan 0.000 0.193 260 G C -0.422 174.157 174.900 -0.535 0.000 0.999 260 G CA -0.445 44.431 45.100 -0.373 0.000 0.659 260 G HN -0.434 7.934 8.290 -0.225 -0.212 0.503 261 Y N -0.551 119.646 120.300 -0.171 0.000 2.457 261 Y HA -0.181 nan 4.550 nan 0.000 0.341 261 Y C 0.274 176.178 175.900 0.007 0.000 1.240 261 Y CA -0.562 57.438 58.100 -0.167 0.000 1.437 261 Y CB 0.700 39.115 38.460 -0.076 0.000 1.328 261 Y HN -0.325 7.908 8.280 -0.452 -0.224 0.588 262 I N 1.165 121.873 120.570 0.230 0.000 2.752 262 I HA -0.402 nan 4.170 nan 0.000 0.286 262 I C -0.751 175.509 176.117 0.240 0.000 1.180 262 I CA 2.016 63.517 61.300 0.335 0.000 1.404 262 I CB -1.309 36.794 38.000 0.172 0.000 1.389 262 I HN -0.174 8.099 8.210 0.105 0.000 0.549 263 V N 7.243 127.313 119.914 0.260 0.000 3.058 263 V HA 0.354 nan 4.120 nan 0.000 0.233 263 V C -0.653 175.497 176.094 0.093 0.000 1.255 263 V CA 0.179 62.571 62.300 0.153 0.000 1.267 263 V CB 2.779 34.696 31.823 0.157 0.000 1.049 263 V HN 0.323 8.737 8.190 0.372 0.000 0.486 264 G N -1.078 107.765 108.800 0.071 0.000 2.482 264 G HA2 0.325 nan 3.960 nan 0.000 0.317 264 G HA3 0.325 nan 3.960 nan 0.000 0.317 264 G C -2.876 172.008 174.900 -0.026 0.000 1.241 264 G CA -1.138 43.971 45.100 0.015 0.000 0.967 264 G HN -0.141 8.083 8.290 0.092 0.121 0.482 265 A N 1.355 124.151 122.820 -0.040 0.000 2.456 265 A HA 0.341 nan 4.320 nan 0.000 0.288 265 A C -3.013 174.527 177.584 -0.073 0.000 1.042 265 A CA -0.017 51.979 52.037 -0.068 0.000 0.738 265 A CB 2.067 21.038 19.000 -0.048 0.000 1.266 265 A HN -0.231 8.056 8.150 -0.030 -0.154 0.407 266 N N 3.688 122.324 118.700 -0.106 0.000 2.577 266 N HA 0.341 nan 4.740 nan 0.000 0.275 266 N C -1.056 174.401 175.510 -0.089 0.000 1.091 266 N CA -0.718 52.289 53.050 -0.073 0.000 0.843 266 N CB 2.631 41.097 38.487 -0.035 0.000 1.295 266 N HN 0.563 8.812 8.380 -0.151 0.040 0.530 267 I N 6.495 127.038 120.570 -0.046 0.000 2.365 267 I HA 0.104 nan 4.170 nan 0.000 0.291 267 I C -1.633 174.543 176.117 0.098 0.000 1.004 267 I CA -0.518 60.775 61.300 -0.012 0.000 1.311 267 I CB 0.753 38.736 38.000 -0.028 0.000 1.401 267 I HN 0.601 9.158 8.210 -0.042 -0.372 0.491 268 E N 7.519 127.870 120.200 0.252 0.000 2.272 268 E HA 0.234 nan 4.350 nan 0.000 0.269 268 E C -2.369 174.345 176.600 0.190 0.000 0.877 268 E CA -1.732 54.778 56.400 0.184 0.000 0.755 268 E CB 4.514 34.317 29.700 0.172 0.000 1.192 268 E HN 0.094 8.523 8.360 0.320 0.123 0.422 269 T N 2.987 117.570 114.554 0.049 0.000 2.940 269 T HA 0.540 nan 4.350 nan 0.000 0.288 269 T C -0.205 174.448 174.700 -0.078 0.000 1.033 269 T CA -2.325 59.862 62.100 0.146 0.000 1.033 269 T CB 1.793 70.762 68.868 0.168 0.000 1.079 269 T HN 0.196 8.419 8.240 -0.029 0.000 0.496 270 Y N 3.319 123.681 120.300 0.103 0.000 2.347 270 Y HA 0.171 nan 4.550 nan 0.000 0.274 270 Y C 0.144 176.064 175.900 0.034 0.000 1.124 270 Y CA 1.897 60.049 58.100 0.085 0.000 1.208 270 Y CB 1.803 40.329 38.460 0.109 0.000 1.142 270 Y HN 0.647 9.177 8.280 0.416 0.000 0.506 271 L N -6.052 115.233 121.223 0.102 0.000 2.479 271 L HA 0.567 nan 4.340 nan 0.000 0.255 271 L C -1.875 174.994 176.870 -0.003 0.000 1.026 271 L CA -1.226 53.609 54.840 -0.007 0.000 0.842 271 L CB 4.271 46.241 42.059 -0.148 0.000 1.444 271 L HN -0.607 7.714 8.230 0.152 0.000 0.409 272 L N -0.795 120.407 121.223 -0.034 0.000 2.354 272 L HA 0.366 nan 4.340 nan 0.000 0.264 272 L C -1.534 175.350 176.870 0.022 0.000 1.008 272 L CA -1.901 52.915 54.840 -0.040 0.000 0.819 272 L CB 4.481 46.378 42.059 -0.271 0.000 1.339 272 L HN 0.046 8.477 8.230 -0.024 -0.215 0.420 273 E N 3.410 123.652 120.200 0.071 0.000 1.939 273 E HA -0.136 nan 4.350 nan 0.000 0.259 273 E C -0.451 176.319 176.600 0.283 0.000 1.259 273 E CA 0.607 57.091 56.400 0.139 0.000 0.971 273 E CB -0.481 29.296 29.700 0.128 0.000 1.055 273 E HN 0.189 8.597 8.360 0.080 0.000 0.420 274 K N 2.959 123.502 120.400 0.238 0.000 2.399 274 K HA 0.185 nan 4.320 nan 0.000 0.204 274 K C 0.112 176.908 176.600 0.327 0.000 1.023 274 K CA 0.263 56.724 56.287 0.291 0.000 1.127 274 K CB 0.381 32.967 32.500 0.145 0.000 0.856 274 K HN -0.122 8.239 8.250 0.177 -0.004 0.514 275 S N 0.426 116.306 115.700 0.300 0.000 2.599 275 S HA -0.044 nan 4.470 nan 0.000 0.236 275 S C 1.317 176.002 174.600 0.141 0.000 1.077 275 S CA 2.680 60.995 58.200 0.192 0.000 0.906 275 S CB 0.402 63.691 63.200 0.148 0.000 0.804 275 S HN -0.352 8.073 8.310 0.295 0.062 0.497 276 R N 1.337 121.895 120.500 0.096 0.000 2.200 276 R HA -0.255 nan 4.340 nan 0.000 0.234 276 R C 1.444 177.710 176.300 -0.058 0.000 1.127 276 R CA 2.604 58.687 56.100 -0.029 0.000 0.989 276 R CB -0.762 29.450 30.300 -0.147 0.000 0.869 276 R HN 0.289 8.643 8.270 0.140 0.000 0.459 277 A N -0.182 122.656 122.820 0.031 0.000 1.986 277 A HA -0.147 nan 4.320 nan 0.000 0.220 277 A C 0.449 178.018 177.584 -0.024 0.000 1.171 277 A CA 2.341 54.447 52.037 0.115 0.000 0.640 277 A CB -0.462 18.744 19.000 0.343 0.000 0.811 277 A HN 0.246 8.433 8.150 0.172 0.066 0.451 278 I N -6.036 114.399 120.570 -0.225 0.000 3.654 278 I HA 0.117 nan 4.170 nan 0.000 0.337 278 I C -1.537 174.013 176.117 -0.944 0.000 1.568 278 I CA -1.156 59.698 61.300 -0.743 0.000 1.115 278 I CB -1.033 36.686 38.000 -0.469 0.000 1.300 278 I HN -0.933 7.164 8.210 -0.121 0.040 0.471 279 R N -1.380 118.878 120.500 -0.403 0.000 3.066 279 R HA 0.205 nan 4.340 nan 0.000 0.201 279 R C -1.652 174.697 176.300 0.081 0.000 1.606 279 R CA -0.572 55.487 56.100 -0.068 0.000 1.062 279 R CB -0.579 29.713 30.300 -0.013 0.000 1.545 279 R HN -0.156 7.815 8.270 -0.219 0.167 0.543 280 Q N 1.451 121.363 119.800 0.186 0.000 2.256 280 Q HA 0.148 nan 4.340 nan 0.000 0.254 280 Q C -0.200 175.873 176.000 0.121 0.000 0.916 280 Q CA -0.884 54.989 55.803 0.117 0.000 0.932 280 Q CB 0.717 29.519 28.738 0.107 0.000 1.207 280 Q HN -0.148 8.328 8.270 0.344 0.000 0.426 281 A N 4.459 127.328 122.820 0.082 0.000 2.448 281 A HA -0.094 nan 4.320 nan 0.000 0.239 281 A C -0.269 177.349 177.584 0.057 0.000 1.080 281 A CA 0.006 52.086 52.037 0.072 0.000 0.779 281 A CB 0.696 19.731 19.000 0.059 0.000 1.026 281 A HN 0.279 8.469 8.150 0.066 0.000 0.499 282 K N 0.957 121.387 120.400 0.049 0.000 2.451 282 K HA -0.264 nan 4.320 nan 0.000 0.280 282 K C -0.784 175.824 176.600 0.014 0.000 1.020 282 K CA 1.573 57.880 56.287 0.033 0.000 1.008 282 K CB -0.544 31.973 32.500 0.029 0.000 0.917 282 K HN -0.088 8.193 8.250 0.052 0.000 0.478 283 D N 1.127 121.528 120.400 0.001 0.000 2.911 283 D HA -0.496 nan 4.640 nan 0.000 0.227 283 D C -1.224 175.056 176.300 -0.033 0.000 1.164 283 D CA 1.782 55.767 54.000 -0.024 0.000 0.782 283 D CB -0.947 39.837 40.800 -0.028 0.000 1.094 283 D HN 0.334 8.847 8.370 0.007 -0.139 0.425 284 E N -2.654 117.535 120.200 -0.018 0.000 2.264 284 E HA 0.509 nan 4.350 nan 0.000 0.260 284 E C -1.265 175.304 176.600 -0.051 0.000 0.961 284 E CA -1.099 55.282 56.400 -0.031 0.000 0.834 284 E CB 2.957 32.655 29.700 -0.004 0.000 1.230 284 E HN -0.239 8.095 8.360 0.003 0.028 0.412 285 R N -2.279 118.170 120.500 -0.084 0.000 2.912 285 R HA 0.472 nan 4.340 nan 0.000 0.262 285 R C -0.686 175.552 176.300 -0.103 0.000 1.057 285 R CA -1.275 54.770 56.100 -0.093 0.000 0.981 285 R CB 4.385 34.531 30.300 -0.257 0.000 1.201 285 R HN 0.583 8.699 8.270 -0.083 0.105 0.484 286 T N -0.256 114.277 114.554 -0.035 0.000 2.880 286 T HA 0.276 nan 4.350 nan 0.000 0.279 286 T C -0.190 174.211 174.700 -0.498 0.000 0.990 286 T CA -1.999 59.893 62.100 -0.348 0.000 0.938 286 T CB 1.113 69.811 68.868 -0.283 0.000 1.206 286 T HN -0.300 8.088 8.240 0.246 0.000 0.573 287 F N -0.556 119.080 119.950 -0.523 0.000 2.602 287 F HA -0.227 nan 4.527 nan 0.000 0.385 287 F C 1.770 177.197 175.800 -0.621 0.000 1.063 287 F CA 1.083 58.842 58.000 -0.402 0.000 1.233 287 F CB -0.082 38.831 39.000 -0.146 0.000 1.067 287 F HN -0.064 7.581 8.300 -1.092 0.000 0.564 288 H N 3.340 122.265 119.070 -0.241 0.000 2.383 288 H HA -0.517 nan 4.556 nan 0.000 0.286 288 H C 1.966 176.698 175.328 -0.995 0.000 1.126 288 H CA 3.718 59.468 56.048 -0.497 0.000 1.182 288 H CB 0.167 29.729 29.762 -0.334 0.000 1.352 288 H HN 0.215 8.692 8.280 0.327 0.000 0.480 289 I N -2.032 118.191 120.570 -0.578 0.000 2.852 289 I HA -0.278 nan 4.170 nan 0.000 0.264 289 I C 0.523 176.594 176.117 -0.076 0.000 1.179 289 I CA -0.395 60.619 61.300 -0.477 0.000 1.480 289 I CB -0.239 37.379 38.000 -0.638 0.000 1.111 289 I HN -0.590 7.288 8.210 -0.425 0.077 0.441 290 F N -0.313 119.466 119.950 -0.286 0.000 2.046 290 F HA -0.591 nan 4.527 nan 0.000 0.297 290 F C 1.887 177.487 175.800 -0.333 0.000 1.123 290 F CA 3.674 61.465 58.000 -0.350 0.000 1.199 290 F CB -1.304 37.347 39.000 -0.582 0.000 0.972 290 F HN -0.855 7.347 8.300 -0.163 0.000 0.474 291 Y N -4.993 115.342 120.300 0.059 0.000 2.241 291 Y HA -0.421 nan 4.550 nan 0.000 0.286 291 Y C 2.093 178.152 175.900 0.265 0.000 1.166 291 Y CA 3.585 61.768 58.100 0.138 0.000 1.203 291 Y CB -0.921 37.625 38.460 0.144 0.000 0.977 291 Y HN -0.121 7.955 8.280 -0.339 0.000 0.529 292 Y N -2.961 117.473 120.300 0.223 0.000 2.220 292 Y HA -0.248 nan 4.550 nan 0.000 0.291 292 Y C 1.858 177.705 175.900 -0.087 0.000 1.129 292 Y CA 0.396 58.609 58.100 0.189 0.000 1.161 292 Y CB -0.914 37.763 38.460 0.361 0.000 0.997 292 Y HN -0.835 7.425 8.280 0.249 0.170 0.522 293 L N -0.669 120.599 121.223 0.074 0.000 2.141 293 L HA -0.241 nan 4.340 nan 0.000 0.209 293 L C 1.513 178.213 176.870 -0.283 0.000 1.094 293 L CA 2.933 57.650 54.840 -0.205 0.000 0.763 293 L CB -0.063 42.021 42.059 0.042 0.000 0.908 293 L HN -0.370 7.875 8.230 0.184 0.095 0.437 294 I N -2.781 117.650 120.570 -0.231 0.000 2.353 294 I HA -0.414 nan 4.170 nan 0.000 0.248 294 I C 1.379 177.304 176.117 -0.319 0.000 1.119 294 I CA 3.144 64.206 61.300 -0.396 0.000 1.417 294 I CB -0.173 37.376 38.000 -0.752 0.000 1.078 294 I HN -0.518 7.584 8.210 -0.149 0.019 0.421 295 A N -0.551 122.215 122.820 -0.091 0.000 1.843 295 A HA -0.038 nan 4.320 nan 0.000 0.213 295 A C 2.072 179.623 177.584 -0.055 0.000 1.202 295 A CA 2.243 54.340 52.037 0.100 0.000 0.607 295 A CB -0.183 18.957 19.000 0.233 0.000 0.847 295 A HN -0.534 7.513 8.150 -0.025 0.087 0.445 296 G N -1.762 106.874 108.800 -0.273 0.000 3.397 296 G HA2 -0.085 nan 3.960 nan 0.000 0.248 296 G HA3 -0.085 nan 3.960 nan 0.000 0.248 296 G C -1.712 172.967 174.900 -0.369 0.000 1.284 296 G CA -0.686 44.219 45.100 -0.324 0.000 1.570 296 G HN -0.080 7.987 8.290 -0.370 0.000 0.587 297 A N 1.320 124.009 122.820 -0.218 0.000 2.478 297 A HA 0.266 nan 4.320 nan 0.000 0.327 297 A C -0.975 176.580 177.584 -0.047 0.000 1.431 297 A CA -1.197 50.749 52.037 -0.153 0.000 1.014 297 A CB 0.229 19.146 19.000 -0.139 0.000 1.143 297 A HN -0.390 7.583 8.150 -0.137 0.095 0.532 298 S N 4.738 120.432 115.700 -0.010 0.000 2.510 298 S HA -0.083 nan 4.470 nan 0.000 0.279 298 S C 1.260 175.871 174.600 0.017 0.000 1.284 298 S CA -0.817 57.396 58.200 0.022 0.000 1.059 298 S CB 0.848 64.079 63.200 0.050 0.000 0.901 298 S HN -0.146 8.160 8.310 -0.006 0.000 0.491 299 E N 5.767 125.978 120.200 0.018 0.000 2.196 299 E HA -0.595 nan 4.350 nan 0.000 0.222 299 E C 1.708 178.318 176.600 0.018 0.000 1.072 299 E CA 3.725 60.135 56.400 0.016 0.000 0.902 299 E CB -0.199 29.513 29.700 0.019 0.000 0.780 299 E HN 0.815 9.187 8.360 0.019 0.000 0.467 300 Q N -2.453 117.362 119.800 0.025 0.000 1.927 300 Q HA -0.279 nan 4.340 nan 0.000 0.210 300 Q C 2.362 178.380 176.000 0.030 0.000 1.001 300 Q CA 2.934 58.753 55.803 0.027 0.000 0.862 300 Q CB -0.692 28.065 28.738 0.033 0.000 0.934 300 Q HN 0.288 8.575 8.270 0.028 0.000 0.420 301 M N -3.265 116.359 119.600 0.041 0.000 2.539 301 M HA -0.184 nan 4.480 nan 0.000 0.261 301 M C 2.239 178.557 176.300 0.030 0.000 1.069 301 M CA 2.683 58.011 55.300 0.047 0.000 1.081 301 M CB -0.651 31.996 32.600 0.077 0.000 1.412 301 M HN -0.189 8.129 8.290 0.048 0.000 0.482 302 R N 0.371 120.879 120.500 0.013 0.000 2.120 302 R HA -0.348 nan 4.340 nan 0.000 0.234 302 R C 1.476 177.777 176.300 0.001 0.000 1.123 302 R CA 3.727 59.825 56.100 -0.004 0.000 0.975 302 R CB -0.443 29.851 30.300 -0.011 0.000 0.866 302 R HN 0.417 8.580 8.270 0.015 0.116 0.446 303 N N -1.368 117.336 118.700 0.008 0.000 2.197 303 N HA -0.136 nan 4.740 nan 0.000 0.184 303 N C 2.549 178.066 175.510 0.012 0.000 1.030 303 N CA 3.071 56.125 53.050 0.006 0.000 0.851 303 N CB -0.095 38.397 38.487 0.008 0.000 1.003 303 N HN -0.176 8.105 8.380 0.012 0.107 0.430 304 D N 1.840 122.252 120.400 0.020 0.000 2.092 304 D HA -0.196 nan 4.640 nan 0.000 0.193 304 D C 1.584 177.901 176.300 0.029 0.000 0.994 304 D CA 2.888 56.903 54.000 0.025 0.000 0.828 304 D CB -0.059 40.761 40.800 0.034 0.000 0.963 304 D HN -0.066 8.317 8.370 0.023 0.000 0.450 305 L N -3.106 118.140 121.223 0.038 0.000 2.675 305 L HA -0.060 nan 4.340 nan 0.000 0.239 305 L C -0.829 176.061 176.870 0.032 0.000 1.151 305 L CA -0.677 54.191 54.840 0.046 0.000 0.905 305 L CB -0.181 41.922 42.059 0.074 0.000 1.057 305 L HN -0.253 7.871 8.230 0.040 0.131 0.435 306 L N -3.598 117.635 121.223 0.017 0.000 3.755 306 L HA -0.422 nan 4.340 nan 0.000 0.587 306 L C -0.843 176.031 176.870 0.007 0.000 1.235 306 L CA 0.147 54.990 54.840 0.004 0.000 0.876 306 L CB -2.615 39.445 42.059 0.001 0.000 1.431 306 L HN -0.749 7.398 8.230 0.015 0.092 0.840 307 L N 1.981 123.204 121.223 0.000 0.000 2.283 307 L HA 0.238 nan 4.340 nan 0.000 0.281 307 L C -0.234 176.615 176.870 -0.034 0.000 1.033 307 L CA -1.265 53.578 54.840 0.005 0.000 0.848 307 L CB 0.918 42.970 42.059 -0.012 0.000 1.226 307 L HN -0.427 7.802 8.230 -0.003 0.000 0.429 308 E N 4.072 124.223 120.200 -0.082 0.000 2.408 308 E HA -0.001 nan 4.350 nan 0.000 0.259 308 E C 0.320 176.853 176.600 -0.112 0.000 1.110 308 E CA 0.543 56.813 56.400 -0.217 0.000 0.929 308 E CB 0.452 29.810 29.700 -0.570 0.000 0.971 308 E HN 0.302 8.620 8.360 -0.069 0.000 0.438 309 G N -0.957 107.790 108.800 -0.088 0.000 2.557 309 G HA2 0.241 nan 3.960 nan 0.000 0.302 309 G HA3 0.241 nan 3.960 nan 0.000 0.302 309 G C -1.500 173.489 174.900 0.149 0.000 1.311 309 G CA -1.839 43.270 45.100 0.015 0.000 1.030 309 G HN -0.485 7.895 8.290 -0.140 -0.174 0.509 310 F N -1.630 118.422 119.950 0.170 0.000 2.612 310 F HA -0.289 nan 4.527 nan 0.000 0.389 310 F C 0.545 176.455 175.800 0.182 0.000 1.055 310 F CA 1.756 59.869 58.000 0.187 0.000 1.232 310 F CB -0.061 38.998 39.000 0.097 0.000 1.044 310 F HN 0.021 8.433 8.300 0.186 0.000 0.560 311 N N -1.962 117.011 118.700 0.454 0.000 2.927 311 N HA -0.474 nan 4.740 nan 0.000 0.215 311 N C -0.637 175.015 175.510 0.238 0.000 0.868 311 N CA 2.266 55.507 53.050 0.318 0.000 1.075 311 N CB -0.900 37.717 38.487 0.216 0.000 0.989 311 N HN 0.409 9.107 8.380 0.531 0.000 0.609 312 N N 2.545 121.329 118.700 0.141 0.000 3.050 312 N HA 0.063 nan 4.740 nan 0.000 0.289 312 N C -1.502 173.769 175.510 -0.398 0.000 1.209 312 N CA 0.590 53.590 53.050 -0.085 0.000 1.154 312 N CB -0.350 38.057 38.487 -0.133 0.000 1.444 312 N HN -0.306 7.992 8.380 0.191 0.197 0.529 313 Y N 0.016 120.319 120.300 0.005 0.000 2.519 313 Y HA 0.086 nan 4.550 nan 0.000 0.336 313 Y C 0.767 176.662 175.900 -0.009 0.000 1.089 313 Y CA 0.219 58.319 58.100 0.000 0.000 1.025 313 Y CB 2.537 41.005 38.460 0.013 0.000 1.318 313 Y HN -0.059 8.221 8.280 0.067 0.040 0.452 314 T N 3.873 118.517 114.554 0.149 0.000 2.635 314 T HA -0.276 nan 4.350 nan 0.000 0.267 314 T C -0.265 174.432 174.700 -0.005 0.000 1.040 314 T CA 2.924 65.082 62.100 0.096 0.000 1.156 314 T CB -0.078 68.917 68.868 0.211 0.000 0.863 314 T HN 0.567 8.907 8.240 0.167 0.000 0.430 315 F N -1.017 119.027 119.950 0.157 0.000 2.777 315 F HA 0.152 nan 4.527 nan 0.000 0.361 315 F C -1.313 174.573 175.800 0.143 0.000 1.254 315 F CA -1.464 56.616 58.000 0.134 0.000 1.181 315 F CB 1.296 40.362 39.000 0.111 0.000 1.082 315 F HN -0.390 8.126 8.300 0.359 0.000 0.510 316 L N 3.692 125.072 121.223 0.261 0.000 2.389 316 L HA 0.111 nan 4.340 nan 0.000 0.265 316 L C -0.823 176.184 176.870 0.229 0.000 1.167 316 L CA -0.961 54.012 54.840 0.221 0.000 1.045 316 L CB -1.504 40.597 42.059 0.069 0.000 1.351 316 L HN -0.246 8.148 8.230 0.273 0.000 0.419 317 S N 2.140 117.975 115.700 0.225 0.000 2.600 317 S HA -0.140 nan 4.470 nan 0.000 0.265 317 S C -0.080 174.606 174.600 0.143 0.000 1.325 317 S CA 0.187 58.474 58.200 0.144 0.000 1.002 317 S CB 0.958 64.262 63.200 0.173 0.000 0.921 317 S HN -0.421 8.240 8.310 0.287 -0.179 0.554 318 N N -2.246 116.509 118.700 0.093 0.000 2.747 318 N HA -0.329 nan 4.740 nan 0.000 0.249 318 N C 0.073 175.640 175.510 0.095 0.000 1.107 318 N CA 0.533 53.625 53.050 0.071 0.000 0.707 318 N CB -1.547 36.967 38.487 0.045 0.000 1.054 318 N HN 0.497 8.918 8.380 0.068 0.000 0.555 319 G N -1.100 107.782 108.800 0.136 0.000 2.627 319 G HA2 -0.484 nan 3.960 nan 0.000 0.312 319 G HA3 -0.484 nan 3.960 nan 0.000 0.312 319 G C -0.881 174.199 174.900 0.301 0.000 1.299 319 G CA 0.316 45.539 45.100 0.204 0.000 0.989 319 G HN 0.013 8.362 8.290 0.118 0.011 0.547 320 H N 3.568 122.757 119.070 0.198 0.000 2.911 320 H HA 0.103 nan 4.556 nan 0.000 0.273 320 H C -0.841 174.492 175.328 0.008 0.000 1.157 320 H CA -0.370 55.782 56.048 0.172 0.000 1.402 320 H CB -0.825 29.015 29.762 0.131 0.000 1.463 320 H HN 0.107 8.586 8.280 0.331 0.000 0.475 321 V N 8.864 128.610 119.914 -0.279 0.000 2.470 321 V HA 0.159 nan 4.120 nan 0.000 0.276 321 V C -0.927 174.733 176.094 -0.723 0.000 1.040 321 V CA -2.509 59.564 62.300 -0.377 0.000 1.008 321 V CB 0.050 31.718 31.823 -0.258 0.000 0.990 321 V HN 0.317 8.410 8.190 -0.160 0.000 0.477 322 P HA 0.331 nan 4.420 nan 0.000 0.306 322 P C -1.576 175.549 177.300 -0.292 0.000 1.301 322 P CA -0.461 62.368 63.100 -0.451 0.000 0.744 322 P CB 0.907 32.515 31.700 -0.153 0.000 1.400 323 I N -2.575 117.897 120.570 -0.163 0.000 2.722 323 I HA 0.405 nan 4.170 nan 0.000 0.295 323 I C -1.860 174.216 176.117 -0.069 0.000 1.161 323 I CA -3.369 57.856 61.300 -0.125 0.000 1.032 323 I CB 3.160 41.085 38.000 -0.124 0.000 1.244 323 I HN 0.050 8.198 8.210 -0.104 0.000 0.421 324 P HA 0.005 nan 4.420 nan 0.000 0.268 324 P C -0.809 176.478 177.300 -0.022 0.000 1.204 324 P CA 0.723 63.802 63.100 -0.036 0.000 0.768 324 P CB -0.122 31.556 31.700 -0.037 0.000 0.842 325 A N 2.333 125.147 122.820 -0.011 0.000 2.798 325 A HA -0.346 nan 4.320 nan 0.000 0.282 325 A C -1.322 176.266 177.584 0.007 0.000 1.464 325 A CA 1.090 53.126 52.037 -0.001 0.000 0.844 325 A CB -1.088 17.912 19.000 -0.001 0.000 1.006 325 A HN 0.503 8.646 8.150 -0.012 0.000 0.577 326 Q N -2.723 117.081 119.800 0.007 0.000 2.377 326 Q HA 0.193 nan 4.340 nan 0.000 0.279 326 Q C -2.279 173.735 176.000 0.023 0.000 1.049 326 Q CA -0.416 55.398 55.803 0.018 0.000 0.825 326 Q CB 3.166 31.918 28.738 0.025 0.000 1.401 326 Q HN -0.511 7.720 8.270 0.001 0.039 0.404 327 Q N 5.350 125.165 119.800 0.024 0.000 2.533 327 Q HA 0.237 nan 4.340 nan 0.000 0.251 327 Q C 0.067 176.084 176.000 0.029 0.000 0.966 327 Q CA -0.838 54.990 55.803 0.042 0.000 0.714 327 Q CB 1.549 30.307 28.738 0.033 0.000 1.284 327 Q HN 0.520 8.795 8.270 0.010 0.000 0.478 328 D N 8.055 128.519 120.400 0.106 0.000 2.244 328 D HA -0.476 nan 4.640 nan 0.000 0.197 328 D C 0.878 177.199 176.300 0.036 0.000 1.006 328 D CA 3.916 58.009 54.000 0.155 0.000 0.888 328 D CB -0.463 40.626 40.800 0.482 0.000 0.912 328 D HN 0.666 9.123 8.370 0.146 0.000 0.452 329 D N -2.001 118.455 120.400 0.093 0.000 2.177 329 D HA -0.250 nan 4.640 nan 0.000 0.189 329 D C 1.980 178.318 176.300 0.064 0.000 1.002 329 D CA 2.713 56.761 54.000 0.080 0.000 0.845 329 D CB -0.568 40.275 40.800 0.072 0.000 0.960 329 D HN 0.348 8.768 8.370 0.129 0.027 0.447 330 E N -2.367 117.841 120.200 0.013 0.000 2.190 330 E HA -0.045 nan 4.350 nan 0.000 0.191 330 E C 2.458 179.039 176.600 -0.032 0.000 0.978 330 E CA 1.805 58.219 56.400 0.023 0.000 0.839 330 E CB 0.216 29.924 29.700 0.013 0.000 0.787 330 E HN -0.296 8.056 8.360 -0.013 0.000 0.473 331 M N -0.081 119.407 119.600 -0.186 0.000 2.346 331 M HA -0.295 nan 4.480 nan 0.000 0.263 331 M C 1.925 177.975 176.300 -0.417 0.000 1.064 331 M CA 1.779 56.847 55.300 -0.386 0.000 1.083 331 M CB -1.481 30.651 32.600 -0.779 0.000 1.399 331 M HN -0.666 7.514 8.290 -0.183 0.000 0.435 332 F N 1.233 120.929 119.950 -0.425 0.000 2.120 332 F HA -0.504 nan 4.527 nan 0.000 0.300 332 F C 1.732 177.558 175.800 0.044 0.000 1.095 332 F CA 4.120 62.091 58.000 -0.048 0.000 1.249 332 F CB -0.331 38.699 39.000 0.049 0.000 0.995 332 F HN -0.607 7.598 8.300 -0.133 0.015 0.480 333 Q N -2.003 117.769 119.800 -0.048 0.000 2.062 333 Q HA -0.264 nan 4.340 nan 0.000 0.196 333 Q C 2.349 178.305 176.000 -0.073 0.000 0.967 333 Q CA 2.681 58.413 55.803 -0.119 0.000 0.832 333 Q CB -0.432 28.305 28.738 -0.003 0.000 0.899 333 Q HN 0.024 8.202 8.270 0.061 0.129 0.442 334 E N -0.578 119.608 120.200 -0.024 0.000 2.070 334 E HA -0.447 nan 4.350 nan 0.000 0.197 334 E C 2.324 178.949 176.600 0.041 0.000 1.004 334 E CA 3.229 59.635 56.400 0.010 0.000 0.805 334 E CB -0.079 29.635 29.700 0.022 0.000 0.744 334 E HN -0.465 7.882 8.360 -0.022 0.000 0.451 335 T N -2.867 111.734 114.554 0.080 0.000 3.055 335 T HA -0.009 nan 4.350 nan 0.000 0.265 335 T C 1.937 176.736 174.700 0.165 0.000 1.111 335 T CA 2.678 64.882 62.100 0.174 0.000 1.118 335 T CB -0.336 68.718 68.868 0.309 0.000 0.909 335 T HN -0.533 7.740 8.240 0.055 0.000 0.501 336 L N 0.646 121.880 121.223 0.018 0.000 2.141 336 L HA -0.192 nan 4.340 nan 0.000 0.209 336 L C 1.872 178.747 176.870 0.009 0.000 1.094 336 L CA 2.757 57.581 54.840 -0.025 0.000 0.763 336 L CB -0.920 40.995 42.059 -0.240 0.000 0.908 336 L HN -0.286 7.823 8.230 -0.072 0.078 0.437 337 E N -1.199 119.001 120.200 0.000 0.000 2.072 337 E HA -0.332 nan 4.350 nan 0.000 0.191 337 E C 1.980 178.585 176.600 0.009 0.000 0.985 337 E CA 2.955 59.357 56.400 0.002 0.000 0.801 337 E CB -0.091 29.607 29.700 -0.003 0.000 0.750 337 E HN -0.115 8.141 8.360 -0.010 0.098 0.452 338 A N -1.231 121.603 122.820 0.024 0.000 1.986 338 A HA -0.290 nan 4.320 nan 0.000 0.220 338 A C 2.245 179.805 177.584 -0.039 0.000 1.171 338 A CA 3.057 55.094 52.037 0.000 0.000 0.640 338 A CB -0.877 18.139 19.000 0.025 0.000 0.811 338 A HN -0.534 7.643 8.150 0.045 0.000 0.451 339 M N -3.274 116.329 119.600 0.005 0.000 2.279 339 M HA -0.394 nan 4.480 nan 0.000 0.264 339 M C 2.088 178.290 176.300 -0.163 0.000 1.062 339 M CA 3.157 58.465 55.300 0.012 0.000 1.099 339 M CB -0.316 32.424 32.600 0.233 0.000 1.394 339 M HN -0.110 8.179 8.290 0.050 0.030 0.426 340 T N -2.633 111.864 114.554 -0.096 0.000 2.833 340 T HA -0.259 nan 4.350 nan 0.000 0.269 340 T C 1.335 175.919 174.700 -0.192 0.000 1.054 340 T CA 2.744 64.774 62.100 -0.117 0.000 1.135 340 T CB -0.528 68.308 68.868 -0.054 0.000 0.869 340 T HN -0.520 7.663 8.240 -0.041 0.032 0.466 341 I N 0.929 121.377 120.570 -0.204 0.000 2.072 341 I HA -0.304 nan 4.170 nan 0.000 0.235 341 I C 1.938 177.913 176.117 -0.237 0.000 1.058 341 I CA 2.355 63.545 61.300 -0.183 0.000 1.320 341 I CB -1.322 36.590 38.000 -0.147 0.000 1.047 341 I HN -0.488 7.568 8.210 -0.192 0.039 0.397 342 M N -2.432 116.970 119.600 -0.330 0.000 2.460 342 M HA -0.066 nan 4.480 nan 0.000 0.263 342 M C -0.025 176.006 176.300 -0.448 0.000 1.071 342 M CA -0.154 54.930 55.300 -0.360 0.000 1.096 342 M CB 0.210 32.582 32.600 -0.379 0.000 1.408 342 M HN -0.037 8.048 8.290 -0.341 0.000 0.463 343 G N -2.056 106.391 108.800 -0.588 0.000 2.403 343 G HA2 -0.185 nan 3.960 nan 0.000 0.393 343 G HA3 -0.185 nan 3.960 nan 0.000 0.393 343 G C -2.307 172.356 174.900 -0.396 0.000 1.106 343 G CA -0.477 44.385 45.100 -0.397 0.000 1.305 343 G HN -0.719 7.134 8.290 -0.715 0.008 0.628 344 F N 0.765 120.670 119.950 -0.075 0.000 2.444 344 F HA 0.349 nan 4.527 nan 0.000 0.342 344 F C 0.311 176.114 175.800 0.006 0.000 1.121 344 F CA -2.131 55.852 58.000 -0.028 0.000 0.997 344 F CB 1.728 40.710 39.000 -0.030 0.000 1.130 344 F HN -0.497 7.623 8.300 -0.299 0.000 0.454 345 T N 5.028 119.718 114.554 0.227 0.000 2.698 345 T HA -0.024 nan 4.350 nan 0.000 0.295 345 T C 0.803 175.573 174.700 0.117 0.000 1.007 345 T CA -0.663 61.517 62.100 0.135 0.000 0.980 345 T CB 0.474 69.414 68.868 0.120 0.000 1.036 345 T HN 0.150 8.863 8.240 0.267 -0.312 0.526 346 E N -0.056 120.192 120.200 0.080 0.000 2.358 346 E HA -0.187 nan 4.350 nan 0.000 0.195 346 E C 1.816 178.451 176.600 0.058 0.000 1.010 346 E CA 3.118 59.557 56.400 0.066 0.000 0.856 346 E CB -0.806 28.924 29.700 0.051 0.000 0.795 346 E HN 0.544 8.946 8.360 0.069 0.000 0.504 347 E N 1.074 121.310 120.200 0.059 0.000 2.031 347 E HA -0.256 nan 4.350 nan 0.000 0.193 347 E C 2.381 178.999 176.600 0.029 0.000 0.994 347 E CA 3.087 59.511 56.400 0.041 0.000 0.800 347 E CB -1.370 28.355 29.700 0.042 0.000 0.752 347 E HN 0.341 8.741 8.360 0.066 0.000 0.447 348 E N -1.013 119.226 120.200 0.065 0.000 2.118 348 E HA -0.331 nan 4.350 nan 0.000 0.195 348 E C 2.718 179.335 176.600 0.028 0.000 0.992 348 E CA 3.080 59.517 56.400 0.061 0.000 0.804 348 E CB -0.612 29.178 29.700 0.151 0.000 0.741 348 E HN 0.329 8.745 8.360 0.094 0.000 0.458 349 Q N -2.096 117.740 119.800 0.060 0.000 2.354 349 Q HA -0.056 nan 4.340 nan 0.000 0.203 349 Q C 2.619 178.651 176.000 0.053 0.000 0.933 349 Q CA 2.784 58.620 55.803 0.056 0.000 0.901 349 Q CB 0.277 29.062 28.738 0.078 0.000 1.007 349 Q HN 0.075 8.206 8.270 0.083 0.188 0.495 350 T N -0.758 113.823 114.554 0.046 0.000 2.915 350 T HA -0.194 nan 4.350 nan 0.000 0.269 350 T C 2.366 177.084 174.700 0.030 0.000 1.071 350 T CA 4.158 66.286 62.100 0.047 0.000 1.132 350 T CB -0.954 67.938 68.868 0.040 0.000 0.878 350 T HN 0.381 8.539 8.240 0.043 0.108 0.479 351 S N 3.430 119.130 115.700 -0.000 0.000 2.383 351 S HA -0.231 nan 4.470 nan 0.000 0.227 351 S C 1.781 176.368 174.600 -0.022 0.000 1.026 351 S CA 4.075 62.253 58.200 -0.036 0.000 0.981 351 S CB -0.188 62.956 63.200 -0.094 0.000 0.818 351 S HN 0.091 8.405 8.310 -0.001 -0.005 0.472 352 I N 1.447 122.009 120.570 -0.013 0.000 2.928 352 I HA -0.389 nan 4.170 nan 0.000 0.266 352 I C 1.106 177.310 176.117 0.145 0.000 1.234 352 I CA 2.707 64.004 61.300 -0.006 0.000 1.483 352 I CB -0.218 37.710 38.000 -0.120 0.000 1.097 352 I HN 0.002 8.013 8.210 -0.013 0.191 0.455 353 L N -0.735 120.572 121.223 0.141 0.000 2.027 353 L HA -0.371 nan 4.340 nan 0.000 0.206 353 L C 1.342 178.303 176.870 0.153 0.000 1.074 353 L CA 3.236 58.188 54.840 0.187 0.000 0.745 353 L CB -0.299 41.854 42.059 0.157 0.000 0.898 353 L HN 0.368 8.541 8.230 0.100 0.118 0.433 354 R N -3.376 117.177 120.500 0.089 0.000 2.325 354 R HA -0.044 nan 4.340 nan 0.000 0.214 354 R C 1.504 177.834 176.300 0.050 0.000 0.961 354 R CA 1.652 57.787 56.100 0.058 0.000 1.086 354 R CB -0.837 29.478 30.300 0.025 0.000 1.037 354 R HN -0.255 7.893 8.270 0.067 0.163 0.493 355 V N 0.122 120.090 119.914 0.090 0.000 3.541 355 V HA -0.052 nan 4.120 nan 0.000 0.267 355 V C 1.138 177.406 176.094 0.291 0.000 1.213 355 V CA 2.694 65.075 62.300 0.135 0.000 1.149 355 V CB -0.908 30.951 31.823 0.060 0.000 0.822 355 V HN 0.290 8.286 8.190 0.086 0.245 0.462 356 V N 0.871 120.957 119.914 0.287 0.000 2.302 356 V HA -0.343 nan 4.120 nan 0.000 0.243 356 V C 1.545 177.651 176.094 0.020 0.000 1.036 356 V CA 4.128 66.556 62.300 0.212 0.000 1.020 356 V CB -0.751 31.206 31.823 0.223 0.000 0.657 356 V HN -0.149 8.067 8.190 0.269 0.136 0.453 357 S N -0.201 115.515 115.700 0.027 0.000 2.420 357 S HA -0.353 nan 4.470 nan 0.000 0.237 357 S C 2.418 176.991 174.600 -0.045 0.000 1.023 357 S CA 3.873 62.060 58.200 -0.021 0.000 0.991 357 S CB -0.560 62.646 63.200 0.010 0.000 0.792 357 S HN -0.171 8.183 8.310 0.073 0.000 0.488 358 S N 0.022 115.713 115.700 -0.015 0.000 2.593 358 S HA 0.041 nan 4.470 nan 0.000 0.217 358 S C -0.068 174.488 174.600 -0.074 0.000 0.966 358 S CA 2.049 60.227 58.200 -0.037 0.000 0.914 358 S CB 0.305 63.493 63.200 -0.020 0.000 0.776 358 S HN -0.234 7.958 8.310 0.028 0.135 0.523 359 V N -1.179 118.677 119.914 -0.096 0.000 3.455 359 V HA 0.079 nan 4.120 nan 0.000 0.250 359 V C 1.381 177.166 176.094 -0.516 0.000 1.230 359 V CA 1.609 63.807 62.300 -0.171 0.000 1.105 359 V CB 0.645 32.539 31.823 0.118 0.000 0.850 359 V HN -0.253 7.765 8.190 -0.061 0.136 0.461 360 L N 0.540 121.261 121.223 -0.837 0.000 2.013 360 L HA -0.405 nan 4.340 nan 0.000 0.212 360 L C 1.362 178.045 176.870 -0.312 0.000 1.073 360 L CA 3.766 58.142 54.840 -0.773 0.000 0.753 360 L CB -0.170 41.573 42.059 -0.525 0.000 0.890 360 L HN 0.468 8.282 8.230 -0.694 0.000 0.432 361 Q N -4.599 115.091 119.800 -0.183 0.000 2.322 361 Q HA -0.054 nan 4.340 nan 0.000 0.203 361 Q C 1.108 177.058 176.000 -0.084 0.000 0.923 361 Q CA 1.175 56.924 55.803 -0.091 0.000 0.949 361 Q CB -0.259 28.453 28.738 -0.043 0.000 1.039 361 Q HN -0.416 7.612 8.270 -0.174 0.137 0.496 362 L N -2.783 118.358 121.223 -0.137 0.000 2.640 362 L HA 0.104 nan 4.340 nan 0.000 0.230 362 L C 0.387 177.193 176.870 -0.107 0.000 1.123 362 L CA -0.164 54.594 54.840 -0.137 0.000 0.900 362 L CB -0.691 41.232 42.059 -0.228 0.000 1.146 362 L HN -0.232 7.733 8.230 -0.185 0.154 0.484 363 G N -2.339 106.407 108.800 -0.091 0.000 2.712 363 G HA2 -0.076 nan 3.960 nan 0.000 0.212 363 G HA3 -0.076 nan 3.960 nan 0.000 0.212 363 G C -0.170 174.727 174.900 -0.006 0.000 1.142 363 G CA 0.823 45.910 45.100 -0.022 0.000 0.789 363 G HN -0.211 7.772 8.290 -0.171 0.204 0.535 364 N N -1.004 117.688 118.700 -0.014 0.000 2.273 364 N HA 0.108 nan 4.740 nan 0.000 0.192 364 N C -0.857 174.681 175.510 0.048 0.000 1.132 364 N CA 0.311 53.378 53.050 0.029 0.000 0.887 364 N CB 1.775 40.280 38.487 0.029 0.000 1.048 364 N HN -0.758 7.486 8.380 -0.051 0.105 0.490 365 I N 3.649 124.239 120.570 0.034 0.000 2.270 365 I HA -0.126 nan 4.170 nan 0.000 0.300 365 I C -1.159 174.986 176.117 0.047 0.000 1.186 365 I CA 1.149 62.498 61.300 0.081 0.000 1.431 365 I CB -1.383 36.660 38.000 0.072 0.000 1.485 365 I HN -0.105 7.997 8.210 -0.004 0.106 0.650 366 V N -0.139 119.844 119.914 0.115 0.000 2.711 366 V HA 0.246 nan 4.120 nan 0.000 0.304 366 V C -1.034 175.230 176.094 0.284 0.000 1.097 366 V CA -2.285 60.069 62.300 0.090 0.000 0.906 366 V CB 3.114 34.948 31.823 0.019 0.000 1.015 366 V HN -0.133 8.104 8.190 0.153 0.045 0.427 367 F N 4.399 124.336 119.950 -0.022 0.000 2.662 367 F HA 0.105 nan 4.527 nan 0.000 0.343 367 F C 0.274 176.080 175.800 0.010 0.000 1.302 367 F CA -2.551 55.445 58.000 -0.006 0.000 1.142 367 F CB -1.838 37.154 39.000 -0.013 0.000 1.524 367 F HN 0.172 8.840 8.300 0.185 -0.257 0.668 368 K N 4.791 125.297 120.400 0.177 0.000 2.473 368 K HA -0.334 nan 4.320 nan 0.000 0.277 368 K C -0.993 175.670 176.600 0.104 0.000 1.052 368 K CA 0.231 56.590 56.287 0.120 0.000 1.114 368 K CB 0.689 33.249 32.500 0.101 0.000 0.869 368 K HN -0.270 8.049 8.250 0.173 0.035 0.481 369 K N 5.561 126.023 120.400 0.103 0.000 2.441 369 K HA -0.247 nan 4.320 nan 0.000 0.273 369 K C -0.099 176.542 176.600 0.068 0.000 1.090 369 K CA 0.744 57.085 56.287 0.091 0.000 1.158 369 K CB -0.009 32.542 32.500 0.086 0.000 0.847 369 K HN 0.246 8.558 8.250 0.104 0.000 0.483 370 E N 7.769 128.003 120.200 0.057 0.000 1.865 370 E HA -0.023 nan 4.350 nan 0.000 0.269 370 E C 0.418 177.037 176.600 0.032 0.000 1.177 370 E CA -1.453 54.966 56.400 0.032 0.000 0.932 370 E CB -0.345 29.362 29.700 0.012 0.000 1.066 370 E HN 0.511 8.912 8.360 0.068 0.000 0.405 371 R N 5.559 126.079 120.500 0.033 0.000 2.350 371 R HA -0.342 nan 4.340 nan 0.000 0.246 371 R C 0.879 177.193 176.300 0.023 0.000 1.182 371 R CA 2.489 58.608 56.100 0.031 0.000 1.030 371 R CB -0.206 30.112 30.300 0.030 0.000 0.861 371 R HN 0.053 8.345 8.270 0.036 0.000 0.483 372 N N -3.769 114.940 118.700 0.016 0.000 2.557 372 N HA 0.085 nan 4.740 nan 0.000 0.217 372 N C 1.315 176.830 175.510 0.008 0.000 1.062 372 N CA 1.747 54.803 53.050 0.010 0.000 0.863 372 N CB 1.675 40.165 38.487 0.005 0.000 1.390 372 N HN -0.208 8.341 8.380 0.015 -0.160 0.445 373 T N -4.600 109.958 114.554 0.007 0.000 3.039 373 T HA 0.158 nan 4.350 nan 0.000 0.250 373 T C 1.003 175.710 174.700 0.012 0.000 1.052 373 T CA 0.353 62.456 62.100 0.005 0.000 1.125 373 T CB 1.513 70.380 68.868 -0.002 0.000 0.908 373 T HN -0.026 8.581 8.240 0.006 -0.363 0.473 374 D N 0.698 121.110 120.400 0.021 0.000 2.206 374 D HA -0.240 nan 4.640 nan 0.000 0.204 374 D C -1.482 174.846 176.300 0.046 0.000 1.368 374 D CA 2.469 56.489 54.000 0.033 0.000 1.622 374 D CB -0.722 40.096 40.800 0.029 0.000 1.406 374 D HN 0.296 8.678 8.370 0.019 0.000 0.592 375 Q N 1.596 121.419 119.800 0.039 0.000 2.307 375 Q HA -0.021 nan 4.340 nan 0.000 0.261 375 Q C -1.397 174.635 176.000 0.054 0.000 1.051 375 Q CA 0.102 55.938 55.803 0.055 0.000 0.911 375 Q CB -0.155 28.606 28.738 0.040 0.000 1.227 375 Q HN -0.604 7.581 8.270 0.026 0.101 0.418 376 A N 3.738 126.620 122.820 0.105 0.000 2.252 376 A HA 0.286 nan 4.320 nan 0.000 0.305 376 A C -1.617 175.917 177.584 -0.084 0.000 1.097 376 A CA -1.149 50.928 52.037 0.066 0.000 0.849 376 A CB 1.931 21.020 19.000 0.148 0.000 1.142 376 A HN 0.137 8.365 8.150 0.157 0.016 0.499 377 S N -1.212 114.254 115.700 -0.389 0.000 2.661 377 S HA 0.143 nan 4.470 nan 0.000 0.285 377 S C -1.240 172.685 174.600 -1.125 0.000 1.138 377 S CA -1.605 56.009 58.200 -0.976 0.000 0.855 377 S CB 1.926 64.836 63.200 -0.483 0.000 1.136 377 S HN 0.301 8.473 8.310 -0.230 0.000 0.484 378 M N 3.504 122.330 119.600 -1.289 0.000 2.513 378 M HA 0.002 nan 4.480 nan 0.000 0.341 378 M C -1.530 174.655 176.300 -0.191 0.000 1.689 378 M CA -2.205 52.774 55.300 -0.534 0.000 1.202 378 M CB 0.039 32.502 32.600 -0.228 0.000 1.996 378 M HN 0.316 7.872 8.290 -1.223 0.000 0.458 379 P HA -0.040 nan 4.420 nan 0.000 0.216 379 P C -1.304 175.989 177.300 -0.011 0.000 1.153 379 P CA 0.885 63.969 63.100 -0.027 0.000 0.848 379 P CB 0.544 32.257 31.700 0.021 0.000 0.787 380 D N -3.610 116.800 120.400 0.016 0.000 2.788 380 D HA 0.094 nan 4.640 nan 0.000 0.247 380 D C -0.437 175.880 176.300 0.028 0.000 1.236 380 D CA -1.177 52.832 54.000 0.015 0.000 0.898 380 D CB 2.175 42.984 40.800 0.015 0.000 1.401 380 D HN -0.215 8.180 8.370 0.042 0.000 0.549 381 N N 6.184 124.892 118.700 0.013 0.000 2.084 381 N HA -0.277 nan 4.740 nan 0.000 0.190 381 N C 1.966 177.482 175.510 0.010 0.000 1.030 381 N CA 2.786 55.845 53.050 0.016 0.000 0.849 381 N CB 0.387 38.875 38.487 0.002 0.000 1.012 381 N HN 0.585 8.966 8.380 0.002 0.000 0.423 382 T N -2.661 111.894 114.554 0.002 0.000 2.759 382 T HA -0.196 nan 4.350 nan 0.000 0.269 382 T C 1.593 176.289 174.700 -0.006 0.000 1.042 382 T CA 3.775 65.872 62.100 -0.005 0.000 1.140 382 T CB -0.549 68.315 68.868 -0.006 0.000 0.864 382 T HN 0.276 8.789 8.240 0.000 -0.273 0.455 383 A N 1.364 124.186 122.820 0.003 0.000 1.873 383 A HA -0.257 nan 4.320 nan 0.000 0.215 383 A C 1.578 179.164 177.584 0.002 0.000 1.186 383 A CA 2.836 54.874 52.037 0.003 0.000 0.616 383 A CB -0.735 18.276 19.000 0.020 0.000 0.823 383 A HN -0.622 7.696 8.150 0.009 -0.163 0.442 384 A N -1.697 121.143 122.820 0.034 0.000 1.933 384 A HA -0.373 nan 4.320 nan 0.000 0.218 384 A C 1.808 179.345 177.584 -0.078 0.000 1.175 384 A CA 2.961 55.015 52.037 0.028 0.000 0.628 384 A CB -0.986 18.088 19.000 0.124 0.000 0.814 384 A HN -0.483 7.696 8.150 0.048 0.000 0.444 385 Q N -1.394 118.380 119.800 -0.043 0.000 2.096 385 Q HA -0.368 nan 4.340 nan 0.000 0.204 385 Q C 2.542 178.509 176.000 -0.054 0.000 0.982 385 Q CA 3.349 59.121 55.803 -0.051 0.000 0.850 385 Q CB -0.165 28.558 28.738 -0.026 0.000 0.901 385 Q HN 0.279 8.454 8.270 -0.014 0.086 0.422 386 K N -0.735 119.633 120.400 -0.055 0.000 2.009 386 K HA -0.352 nan 4.320 nan 0.000 0.210 386 K C 2.536 179.062 176.600 -0.124 0.000 1.049 386 K CA 3.257 59.501 56.287 -0.071 0.000 0.929 386 K CB -0.182 32.286 32.500 -0.053 0.000 0.714 386 K HN -0.143 7.975 8.250 -0.041 0.107 0.440 387 V N -0.378 119.449 119.914 -0.144 0.000 2.223 387 V HA -0.334 nan 4.120 nan 0.000 0.244 387 V C 2.580 178.478 176.094 -0.327 0.000 1.045 387 V CA 4.196 66.372 62.300 -0.207 0.000 1.000 387 V CB -0.305 31.418 31.823 -0.167 0.000 0.635 387 V HN -0.309 7.733 8.190 -0.115 0.080 0.445 388 C N -1.796 117.221 119.300 -0.472 0.000 2.446 388 C HA -0.215 nan 4.460 nan 0.000 0.279 388 C C 1.643 176.457 174.990 -0.295 0.000 1.366 388 C CA 3.579 62.268 59.018 -0.548 0.000 1.763 388 C CB -2.668 24.647 27.740 -0.709 0.000 1.929 388 C HN 0.244 8.198 8.230 -0.461 0.000 0.509 389 H N 2.287 121.157 119.070 -0.333 0.000 2.357 389 H HA -0.158 nan 4.556 nan 0.000 0.301 389 H C 1.709 176.766 175.328 -0.452 0.000 1.082 389 H CA 2.375 58.225 56.048 -0.329 0.000 1.342 389 H CB -0.237 29.375 29.762 -0.250 0.000 1.389 389 H HN -0.599 7.602 8.280 -0.132 0.000 0.511 390 L N -1.793 119.211 121.223 -0.365 0.000 2.718 390 L HA 0.061 nan 4.340 nan 0.000 0.242 390 L C -0.483 176.238 176.870 -0.248 0.000 1.203 390 L CA -0.282 54.324 54.840 -0.390 0.000 1.011 390 L CB -1.377 40.522 42.059 -0.267 0.000 1.250 390 L HN -0.451 7.623 8.230 -0.259 0.000 0.437 391 M N -0.640 118.792 119.600 -0.280 0.000 2.449 391 M HA 0.053 nan 4.480 nan 0.000 0.410 391 M C -0.264 175.946 176.300 -0.150 0.000 1.079 391 M CA -0.075 55.149 55.300 -0.127 0.000 0.922 391 M CB 1.432 33.963 32.600 -0.115 0.000 1.676 391 M HN -0.058 7.812 8.290 -0.316 0.230 0.572 392 G N -0.600 108.015 108.800 -0.310 0.000 2.143 392 G HA2 -0.464 nan 3.960 nan 0.000 0.248 392 G HA3 -0.464 nan 3.960 nan 0.000 0.248 392 G C -1.356 173.463 174.900 -0.135 0.000 0.991 392 G CA 1.055 46.005 45.100 -0.251 0.000 0.689 392 G HN -0.056 7.884 8.290 -0.377 0.124 0.522 393 I N -5.537 114.945 120.570 -0.146 0.000 4.317 393 I HA 0.548 nan 4.170 nan 0.000 0.222 393 I C -2.497 173.543 176.117 -0.129 0.000 1.154 393 I CA -1.967 59.267 61.300 -0.110 0.000 1.457 393 I CB 1.480 39.427 38.000 -0.088 0.000 1.384 393 I HN -0.314 7.750 8.210 -0.191 0.031 0.453 394 N N 0.008 118.647 118.700 -0.102 0.000 2.240 394 N HA 0.290 nan 4.740 nan 0.000 0.302 394 N C 1.123 176.583 175.510 -0.084 0.000 1.106 394 N CA -1.188 51.802 53.050 -0.100 0.000 0.778 394 N CB 2.552 41.000 38.487 -0.065 0.000 1.431 394 N HN -0.215 8.127 8.380 -0.064 0.000 0.479 395 V N -0.207 119.650 119.914 -0.095 0.000 2.488 395 V HA 0.046 nan 4.120 nan 0.000 0.246 395 V C 1.462 177.584 176.094 0.047 0.000 1.046 395 V CA 2.400 64.656 62.300 -0.073 0.000 1.053 395 V CB -0.055 31.716 31.823 -0.087 0.000 0.679 395 V HN 0.520 8.653 8.190 -0.094 0.000 0.458 396 T N 0.152 114.722 114.554 0.026 0.000 2.809 396 T HA -0.246 nan 4.350 nan 0.000 0.260 396 T C 1.575 176.316 174.700 0.069 0.000 1.039 396 T CA 4.001 66.128 62.100 0.044 0.000 1.141 396 T CB -0.780 68.093 68.868 0.009 0.000 0.869 396 T HN 0.003 8.466 8.240 -0.010 -0.229 0.437 397 D N 3.494 123.927 120.400 0.056 0.000 2.123 397 D HA -0.315 nan 4.640 nan 0.000 0.196 397 D C 1.586 177.954 176.300 0.114 0.000 0.992 397 D CA 4.045 58.079 54.000 0.057 0.000 0.833 397 D CB -0.280 40.536 40.800 0.027 0.000 0.954 397 D HN -0.733 7.853 8.370 0.028 -0.199 0.455 398 F N -0.740 119.184 119.950 -0.044 0.000 2.008 398 F HA -0.460 nan 4.527 nan 0.000 0.297 398 F C 1.347 177.141 175.800 -0.011 0.000 1.156 398 F CA 4.066 62.041 58.000 -0.042 0.000 1.191 398 F CB 0.096 39.071 39.000 -0.043 0.000 0.955 398 F HN 0.046 8.487 8.300 0.235 0.000 0.497 399 T N -2.518 112.178 114.554 0.236 0.000 2.788 399 T HA -0.433 nan 4.350 nan 0.000 0.268 399 T C 2.245 176.978 174.700 0.055 0.000 1.044 399 T CA 3.315 65.491 62.100 0.126 0.000 1.139 399 T CB -0.676 68.302 68.868 0.183 0.000 0.867 399 T HN -0.546 7.886 8.240 0.320 0.000 0.454 400 R N 1.422 121.949 120.500 0.045 0.000 2.136 400 R HA -0.516 nan 4.340 nan 0.000 0.242 400 R C 1.740 178.037 176.300 -0.005 0.000 1.131 400 R CA 3.809 59.919 56.100 0.017 0.000 0.937 400 R CB -0.228 30.081 30.300 0.014 0.000 0.863 400 R HN -0.017 8.294 8.270 0.069 0.000 0.435 401 S N -0.620 115.061 115.700 -0.031 0.000 2.383 401 S HA -0.190 nan 4.470 nan 0.000 0.227 401 S C 2.024 176.569 174.600 -0.092 0.000 1.026 401 S CA 3.231 61.393 58.200 -0.063 0.000 0.981 401 S CB -0.134 63.017 63.200 -0.083 0.000 0.818 401 S HN -0.513 7.690 8.310 -0.023 0.093 0.472 402 I N -0.529 119.948 120.570 -0.155 0.000 3.083 402 I HA -0.289 nan 4.170 nan 0.000 0.273 402 I C -0.279 175.880 176.117 0.069 0.000 1.297 402 I CA 2.116 63.306 61.300 -0.182 0.000 1.452 402 I CB -0.035 37.694 38.000 -0.452 0.000 1.078 402 I HN -0.095 8.002 8.210 -0.189 0.000 0.484 403 L N -3.688 117.599 121.223 0.107 0.000 2.453 403 L HA 0.151 nan 4.340 nan 0.000 0.190 403 L C -0.564 176.341 176.870 0.058 0.000 1.093 403 L CA 0.959 55.882 54.840 0.138 0.000 0.834 403 L CB 2.110 44.213 42.059 0.073 0.000 1.090 403 L HN -0.664 7.439 8.230 0.046 0.155 0.489 404 T N -4.695 109.872 114.554 0.023 0.000 2.801 404 T HA 0.512 nan 4.350 nan 0.000 0.306 404 T C -2.357 172.338 174.700 -0.008 0.000 1.020 404 T CA -3.440 58.664 62.100 0.006 0.000 0.948 404 T CB -0.131 68.736 68.868 -0.000 0.000 0.962 404 T HN -0.023 8.228 8.240 0.019 0.000 0.465 405 P HA -0.088 nan 4.420 nan 0.000 0.266 405 P C -1.055 176.235 177.300 -0.017 0.000 1.215 405 P CA -0.286 62.803 63.100 -0.019 0.000 0.763 405 P CB 0.831 32.524 31.700 -0.011 0.000 0.806 406 R N 5.252 125.739 120.500 -0.021 0.000 3.785 406 R HA 0.189 nan 4.340 nan 0.000 0.255 406 R C -0.807 175.480 176.300 -0.022 0.000 1.485 406 R CA -1.378 54.711 56.100 -0.019 0.000 1.555 406 R CB -0.862 29.427 30.300 -0.018 0.000 1.362 406 R HN 0.175 8.567 8.270 -0.026 -0.137 0.702 407 I N -2.546 118.011 120.570 -0.022 0.000 3.783 407 I HA 0.103 nan 4.170 nan 0.000 0.272 407 I C -2.021 174.080 176.117 -0.025 0.000 1.329 407 I CA -1.719 59.566 61.300 -0.025 0.000 0.887 407 I CB 1.350 39.336 38.000 -0.025 0.000 1.596 407 I HN 0.069 8.217 8.210 -0.019 0.049 0.712 408 K N 0.147 120.529 120.400 -0.029 0.000 2.690 408 K HA 0.029 nan 4.320 nan 0.000 0.305 408 K C -2.201 174.380 176.600 -0.033 0.000 1.200 408 K CA -0.222 56.048 56.287 -0.028 0.000 1.071 408 K CB 1.216 33.701 32.500 -0.026 0.000 1.366 408 K HN -0.147 8.084 8.250 -0.033 0.000 0.513 409 V N 6.449 126.344 119.914 -0.032 0.000 2.495 409 V HA 0.325 nan 4.120 nan 0.000 0.298 409 V C -0.850 175.227 176.094 -0.029 0.000 1.031 409 V CA -1.168 61.111 62.300 -0.035 0.000 0.871 409 V CB 1.886 33.687 31.823 -0.037 0.000 0.988 409 V HN 0.697 8.869 8.190 -0.029 0.000 0.432 410 G N 5.506 114.290 108.800 -0.027 0.000 2.591 410 G HA2 -0.462 nan 3.960 nan 0.000 0.298 410 G HA3 -0.462 nan 3.960 nan 0.000 0.298 410 G C -0.150 174.737 174.900 -0.020 0.000 1.195 410 G CA 1.391 46.477 45.100 -0.023 0.000 0.989 410 G HN -0.078 8.194 8.290 -0.030 0.000 0.551 411 R N 4.271 124.760 120.500 -0.018 0.000 2.062 411 R HA -0.093 nan 4.340 nan 0.000 0.226 411 R C 0.188 176.478 176.300 -0.018 0.000 1.125 411 R CA 1.121 57.211 56.100 -0.017 0.000 0.966 411 R CB 0.400 30.691 30.300 -0.015 0.000 0.861 411 R HN 0.365 8.625 8.270 -0.018 0.000 0.433 412 D N 0.657 121.046 120.400 -0.019 0.000 2.357 412 D HA -0.072 nan 4.640 nan 0.000 0.265 412 D C -0.732 175.556 176.300 -0.021 0.000 1.334 412 D CA -0.480 53.508 54.000 -0.020 0.000 0.984 412 D CB -0.826 39.962 40.800 -0.020 0.000 1.077 412 D HN -0.480 7.848 8.370 -0.020 0.030 0.514 413 V N 3.509 123.411 119.914 -0.019 0.000 2.416 413 V HA -0.167 nan 4.120 nan 0.000 0.260 413 V C 0.277 176.360 176.094 -0.019 0.000 1.018 413 V CA 0.733 63.021 62.300 -0.019 0.000 1.120 413 V CB -1.200 30.613 31.823 -0.017 0.000 1.081 413 V HN -0.061 8.090 8.190 -0.018 0.029 0.474 414 V N 9.853 129.753 119.914 -0.022 0.000 2.266 414 V HA -0.076 nan 4.120 nan 0.000 0.240 414 V C -1.171 174.912 176.094 -0.018 0.000 1.225 414 V CA -0.118 62.169 62.300 -0.022 0.000 1.237 414 V CB -2.169 29.638 31.823 -0.026 0.000 1.343 414 V HN 0.171 8.356 8.190 -0.024 -0.008 0.496 415 Q N 9.135 128.926 119.800 -0.016 0.000 2.290 415 Q HA 0.562 nan 4.340 nan 0.000 0.259 415 Q C -1.542 174.451 176.000 -0.012 0.000 0.941 415 Q CA -0.761 55.034 55.803 -0.013 0.000 0.912 415 Q CB 1.468 30.198 28.738 -0.013 0.000 1.244 415 Q HN 0.112 8.336 8.270 -0.017 0.036 0.441 416 K N 2.446 122.842 120.400 -0.008 0.000 2.672 416 K HA 0.174 nan 4.320 nan 0.000 0.295 416 K C -2.341 174.261 176.600 0.003 0.000 1.042 416 K CA -1.512 54.772 56.287 -0.005 0.000 0.869 416 K CB 2.679 35.175 32.500 -0.007 0.000 1.541 416 K HN -0.303 7.943 8.250 -0.007 0.000 0.396 417 A N -1.135 121.690 122.820 0.008 0.000 2.340 417 A HA 0.091 nan 4.320 nan 0.000 0.268 417 A C -0.297 177.307 177.584 0.033 0.000 1.100 417 A CA -0.481 51.569 52.037 0.022 0.000 0.803 417 A CB 0.617 19.629 19.000 0.020 0.000 1.043 417 A HN 0.072 8.224 8.150 0.004 0.000 0.488 418 Q N 1.302 121.136 119.800 0.055 0.000 2.227 418 Q HA 0.076 nan 4.340 nan 0.000 0.245 418 Q C 0.244 176.298 176.000 0.089 0.000 0.926 418 Q CA -0.469 55.376 55.803 0.069 0.000 0.895 418 Q CB 2.303 31.082 28.738 0.068 0.000 1.230 418 Q HN 0.176 8.485 8.270 0.065 0.000 0.450 419 T N -1.463 113.144 114.554 0.088 0.000 2.652 419 T HA 0.083 nan 4.350 nan 0.000 0.319 419 T C 0.808 175.584 174.700 0.127 0.000 1.029 419 T CA -0.688 61.468 62.100 0.093 0.000 0.990 419 T CB 1.099 70.017 68.868 0.083 0.000 1.098 419 T HN -0.229 8.295 8.240 0.084 -0.233 0.520 420 K N 1.416 121.894 120.400 0.129 0.000 2.032 420 K HA -0.432 nan 4.320 nan 0.000 0.209 420 K C 1.745 178.422 176.600 0.128 0.000 1.048 420 K CA 3.847 60.228 56.287 0.156 0.000 0.927 420 K CB -0.165 32.416 32.500 0.136 0.000 0.712 420 K HN -0.161 8.152 8.250 0.106 0.000 0.441 421 E N -2.659 117.611 120.200 0.116 0.000 2.077 421 E HA -0.298 nan 4.350 nan 0.000 0.193 421 E C 3.310 179.993 176.600 0.137 0.000 0.989 421 E CA 3.201 59.671 56.400 0.116 0.000 0.800 421 E CB -0.868 28.883 29.700 0.085 0.000 0.746 421 E HN 0.226 8.650 8.360 0.107 0.000 0.452 422 Q N -0.190 119.685 119.800 0.126 0.000 2.020 422 Q HA -0.236 nan 4.340 nan 0.000 0.198 422 Q C 2.074 178.116 176.000 0.070 0.000 0.974 422 Q CA 3.100 58.980 55.803 0.128 0.000 0.829 422 Q CB 0.257 29.070 28.738 0.126 0.000 0.894 422 Q HN 0.150 8.491 8.270 0.119 0.000 0.433 423 A N -1.106 121.742 122.820 0.047 0.000 1.861 423 A HA -0.147 nan 4.320 nan 0.000 0.212 423 A C 1.723 179.085 177.584 -0.369 0.000 1.199 423 A CA 2.939 54.939 52.037 -0.061 0.000 0.613 423 A CB -0.614 18.498 19.000 0.186 0.000 0.846 423 A HN 0.479 8.565 8.150 0.095 0.121 0.446 424 D N -2.190 118.050 120.400 -0.266 0.000 2.378 424 D HA -0.120 nan 4.640 nan 0.000 0.227 424 D C 2.015 178.194 176.300 -0.202 0.000 1.012 424 D CA 1.405 55.187 54.000 -0.362 0.000 0.905 424 D CB -0.464 40.291 40.800 -0.076 0.000 0.895 424 D HN -0.236 8.058 8.370 0.010 0.082 0.532 425 F N 1.995 121.852 119.950 -0.155 0.000 2.092 425 F HA -0.281 nan 4.527 nan 0.000 0.286 425 F C 0.897 176.596 175.800 -0.168 0.000 1.116 425 F CA 3.315 61.228 58.000 -0.146 0.000 1.185 425 F CB 0.541 39.468 39.000 -0.122 0.000 1.034 425 F HN -0.429 7.734 8.300 0.107 0.201 0.479 426 A N -1.616 121.143 122.820 -0.101 0.000 2.255 426 A HA -0.304 nan 4.320 nan 0.000 0.218 426 A C 0.981 178.347 177.584 -0.364 0.000 1.175 426 A CA 2.597 54.521 52.037 -0.189 0.000 0.682 426 A CB -0.673 18.249 19.000 -0.130 0.000 0.784 426 A HN 0.069 8.229 8.150 0.017 0.000 0.482 427 I N -4.667 115.593 120.570 -0.518 0.000 4.154 427 I HA 0.126 nan 4.170 nan 0.000 0.334 427 I C 0.156 175.952 176.117 -0.536 0.000 1.371 427 I CA -1.087 59.864 61.300 -0.582 0.000 1.110 427 I CB 1.052 38.537 38.000 -0.859 0.000 1.085 427 I HN 0.094 7.840 8.210 -0.520 0.152 0.398 428 E N 1.956 121.759 120.200 -0.662 0.000 2.030 428 E HA -0.140 nan 4.350 nan 0.000 0.189 428 E C 1.453 177.531 176.600 -0.870 0.000 0.974 428 E CA 2.674 58.621 56.400 -0.755 0.000 0.807 428 E CB -0.735 28.598 29.700 -0.611 0.000 0.771 428 E HN -0.000 7.715 8.360 -0.683 0.235 0.451 429 A N -0.424 121.654 122.820 -1.237 0.000 2.277 429 A HA -0.211 nan 4.320 nan 0.000 0.220 429 A C 0.728 178.199 177.584 -0.189 0.000 1.181 429 A CA 2.351 54.116 52.037 -0.454 0.000 0.678 429 A CB -0.552 18.364 19.000 -0.141 0.000 0.795 429 A HN 0.182 6.918 8.150 -2.235 0.073 0.489 430 L N -5.517 115.565 121.223 -0.235 0.000 3.298 430 L HA 0.206 nan 4.340 nan 0.000 0.296 430 L C -0.292 176.556 176.870 -0.036 0.000 1.237 430 L CA -0.404 54.392 54.840 -0.073 0.000 1.038 430 L CB 1.122 43.160 42.059 -0.036 0.000 1.423 430 L HN -0.473 7.388 8.230 -0.367 0.148 0.605 431 A N 0.604 123.341 122.820 -0.138 0.000 2.030 431 A HA 0.023 nan 4.320 nan 0.000 0.215 431 A C 0.179 177.729 177.584 -0.056 0.000 1.164 431 A CA 2.671 54.656 52.037 -0.086 0.000 0.697 431 A CB 1.033 19.947 19.000 -0.143 0.000 0.827 431 A HN 0.189 7.956 8.150 -0.264 0.224 0.457 432 K N -5.293 115.068 120.400 -0.065 0.000 2.517 432 K HA 0.219 nan 4.320 nan 0.000 0.210 432 K C 0.851 177.468 176.600 0.028 0.000 1.166 432 K CA 0.294 56.593 56.287 0.020 0.000 1.030 432 K CB 0.945 33.445 32.500 0.001 0.000 0.974 432 K HN 0.499 8.621 8.250 -0.141 0.043 0.585 433 A N 0.945 123.780 122.820 0.026 0.000 2.251 433 A HA 0.009 nan 4.320 nan 0.000 0.209 433 A C 0.981 178.665 177.584 0.166 0.000 1.187 433 A CA 1.685 53.792 52.037 0.117 0.000 0.823 433 A CB -0.745 18.371 19.000 0.192 0.000 0.846 433 A HN -0.310 7.762 8.150 -0.043 0.052 0.486 434 K N 0.979 121.460 120.400 0.135 0.000 1.975 434 K HA -0.232 nan 4.320 nan 0.000 0.210 434 K C 2.004 178.745 176.600 0.235 0.000 1.041 434 K CA 2.995 59.378 56.287 0.160 0.000 0.942 434 K CB -0.031 32.532 32.500 0.106 0.000 0.729 434 K HN -0.346 7.828 8.250 0.082 0.125 0.439 435 F N -2.384 117.541 119.950 -0.042 0.000 2.236 435 F HA -0.279 nan 4.527 nan 0.000 0.302 435 F C 2.576 178.238 175.800 -0.230 0.000 1.073 435 F CA 2.271 60.187 58.000 -0.139 0.000 1.336 435 F CB -0.273 38.560 39.000 -0.278 0.000 1.040 435 F HN -0.042 8.280 8.300 0.224 0.112 0.507 436 E N -1.820 118.371 120.200 -0.014 0.000 2.065 436 E HA -0.099 nan 4.350 nan 0.000 0.191 436 E C 1.889 178.540 176.600 0.085 0.000 0.960 436 E CA 2.722 59.096 56.400 -0.044 0.000 0.824 436 E CB 0.263 29.951 29.700 -0.020 0.000 0.793 436 E HN -0.067 8.183 8.360 0.057 0.144 0.459 437 R N -1.148 119.440 120.500 0.148 0.000 2.280 437 R HA -0.105 nan 4.340 nan 0.000 0.207 437 R C 2.757 179.203 176.300 0.244 0.000 1.043 437 R CA 1.100 57.305 56.100 0.176 0.000 1.006 437 R CB -0.352 30.131 30.300 0.304 0.000 0.885 437 R HN -0.097 8.137 8.270 0.175 0.140 0.467 438 L N -0.126 121.250 121.223 0.255 0.000 2.375 438 L HA -0.147 nan 4.340 nan 0.000 0.215 438 L C 0.872 177.943 176.870 0.336 0.000 1.108 438 L CA 2.311 57.338 54.840 0.311 0.000 0.830 438 L CB -0.156 42.044 42.059 0.235 0.000 0.959 438 L HN 0.224 8.479 8.230 0.231 0.113 0.457 439 F N 0.313 120.244 119.950 -0.031 0.000 2.095 439 F HA -0.392 nan 4.527 nan 0.000 0.298 439 F C 2.001 177.733 175.800 -0.113 0.000 1.104 439 F CA 3.132 61.037 58.000 -0.159 0.000 1.232 439 F CB -0.601 38.233 39.000 -0.276 0.000 0.987 439 F HN -0.834 7.510 8.300 0.360 0.172 0.475 440 R N -2.923 117.662 120.500 0.140 0.000 2.293 440 R HA -0.391 nan 4.340 nan 0.000 0.219 440 R C 2.132 178.475 176.300 0.073 0.000 1.091 440 R CA 2.782 58.910 56.100 0.046 0.000 1.004 440 R CB -0.735 29.563 30.300 -0.004 0.000 0.865 440 R HN 0.594 8.874 8.270 0.179 0.097 0.469 441 W N 0.888 122.164 121.300 -0.039 0.000 2.436 441 W HA -0.179 nan 4.660 nan 0.000 0.284 441 W C 0.589 177.032 176.519 -0.128 0.000 1.225 441 W CA 3.818 61.105 57.345 -0.096 0.000 1.271 441 W CB 0.027 29.396 29.460 -0.151 0.000 1.114 441 W HN -0.088 8.054 8.180 0.311 0.224 0.559 442 I N -0.919 119.437 120.570 -0.357 0.000 2.179 442 I HA -0.504 nan 4.170 nan 0.000 0.242 442 I C 1.931 177.853 176.117 -0.326 0.000 1.088 442 I CA 2.086 63.125 61.300 -0.436 0.000 1.357 442 I CB -1.296 36.500 38.000 -0.340 0.000 1.051 442 I HN -0.620 7.422 8.210 -0.130 0.090 0.409 443 L N -1.086 120.012 121.223 -0.208 0.000 2.127 443 L HA -0.417 nan 4.340 nan 0.000 0.211 443 L C 1.842 178.632 176.870 -0.133 0.000 1.089 443 L CA 3.868 58.625 54.840 -0.139 0.000 0.757 443 L CB -0.407 41.605 42.059 -0.078 0.000 0.899 443 L HN -0.153 7.971 8.230 -0.176 0.000 0.434 444 T N 1.636 116.103 114.554 -0.144 0.000 2.777 444 T HA -0.260 nan 4.350 nan 0.000 0.266 444 T C 2.239 176.836 174.700 -0.171 0.000 1.040 444 T CA 4.551 66.589 62.100 -0.103 0.000 1.141 444 T CB -0.593 68.284 68.868 0.015 0.000 0.868 444 T HN -0.046 7.910 8.240 -0.139 0.201 0.444 445 R N -0.827 119.465 120.500 -0.346 0.000 2.285 445 R HA -0.117 nan 4.340 nan 0.000 0.213 445 R C 1.666 177.834 176.300 -0.220 0.000 1.068 445 R CA 1.875 57.783 56.100 -0.320 0.000 1.004 445 R CB -1.005 29.003 30.300 -0.485 0.000 0.873 445 R HN -0.120 7.766 8.270 -0.492 0.088 0.467 446 V N 0.079 119.877 119.914 -0.193 0.000 2.339 446 V HA -0.181 nan 4.120 nan 0.000 0.234 446 V C 1.606 177.644 176.094 -0.093 0.000 1.053 446 V CA 3.002 65.219 62.300 -0.140 0.000 1.042 446 V CB -0.145 31.598 31.823 -0.133 0.000 0.678 446 V HN -0.147 7.890 8.190 -0.217 0.023 0.475 447 N N -0.040 118.613 118.700 -0.078 0.000 2.182 447 N HA -0.464 nan 4.740 nan 0.000 0.192 447 N C 1.973 177.463 175.510 -0.034 0.000 1.007 447 N CA 3.303 56.323 53.050 -0.050 0.000 0.873 447 N CB -0.541 37.923 38.487 -0.039 0.000 0.998 447 N HN -0.394 7.935 8.380 -0.086 0.000 0.436 448 K N 0.349 120.729 120.400 -0.033 0.000 2.127 448 K HA -0.277 nan 4.320 nan 0.000 0.208 448 K C 1.334 177.926 176.600 -0.014 0.000 1.047 448 K CA 2.486 58.766 56.287 -0.013 0.000 0.927 448 K CB -0.105 32.388 32.500 -0.012 0.000 0.716 448 K HN -0.286 7.920 8.250 -0.048 0.015 0.450 449 A N -4.376 118.427 122.820 -0.029 0.000 2.423 449 A HA 0.155 nan 4.320 nan 0.000 0.246 449 A C -0.028 177.544 177.584 -0.020 0.000 1.278 449 A CA 0.470 52.492 52.037 -0.024 0.000 0.903 449 A CB 0.658 19.636 19.000 -0.037 0.000 0.997 449 A HN -0.130 7.980 8.150 -0.045 0.013 0.510 450 L N -2.799 118.411 121.223 -0.022 0.000 2.600 450 L HA 0.247 nan 4.340 nan 0.000 0.213 450 L C 0.139 177.001 176.870 -0.014 0.000 1.045 450 L CA 1.334 56.161 54.840 -0.022 0.000 0.863 450 L CB 1.285 43.322 42.059 -0.037 0.000 1.189 450 L HN -0.311 7.718 8.230 -0.021 0.188 0.484 459 S N -1.284 114.528 115.700 0.188 0.000 2.634 459 S HA 0.685 nan 4.470 nan 0.000 0.296 459 S C -2.178 172.466 174.600 0.073 0.000 1.104 459 S CA -0.877 57.369 58.200 0.078 0.000 0.920 459 S CB 2.071 65.379 63.200 0.179 0.000 1.111 459 S HN -0.509 7.950 8.310 0.249 0.000 0.493 460 F N -3.607 116.260 119.950 -0.138 0.000 2.654 460 F HA 0.564 nan 4.527 nan 0.000 0.308 460 F C -2.877 172.750 175.800 -0.289 0.000 1.108 460 F CA -1.374 56.434 58.000 -0.319 0.000 0.957 460 F CB 2.550 41.450 39.000 -0.165 0.000 1.309 460 F HN 0.414 8.721 8.300 -0.534 -0.328 0.446 461 L N 0.107 121.247 121.223 -0.139 0.000 2.349 461 L HA 0.553 nan 4.340 nan 0.000 0.278 461 L C -1.173 175.682 176.870 -0.025 0.000 0.996 461 L CA -1.706 53.098 54.840 -0.060 0.000 0.825 461 L CB 3.275 45.279 42.059 -0.092 0.000 1.243 461 L HN 0.005 7.981 8.230 -0.310 0.068 0.412 462 G N 5.646 114.477 108.800 0.051 0.000 2.379 462 G HA2 0.712 nan 3.960 nan 0.000 0.327 462 G HA3 0.712 nan 3.960 nan 0.000 0.327 462 G C -2.319 172.564 174.900 -0.028 0.000 1.145 462 G CA -1.319 43.787 45.100 0.009 0.000 0.905 462 G HN 0.073 8.413 8.290 0.083 0.000 0.466 463 I N 2.010 122.466 120.570 -0.190 0.000 2.686 463 I HA 0.677 nan 4.170 nan 0.000 0.295 463 I C -2.203 173.936 176.117 0.038 0.000 1.114 463 I CA -1.032 60.228 61.300 -0.067 0.000 1.038 463 I CB 4.721 42.659 38.000 -0.104 0.000 1.238 463 I HN 0.997 8.761 8.210 -0.592 0.090 0.420 464 L N 5.447 126.748 121.223 0.131 0.000 2.471 464 L HA 0.418 nan 4.340 nan 0.000 0.263 464 L C -2.414 174.516 176.870 0.100 0.000 0.985 464 L CA -0.795 54.170 54.840 0.209 0.000 0.868 464 L CB 2.946 45.143 42.059 0.230 0.000 1.203 464 L HN 0.025 8.307 8.230 0.086 0.000 0.429 465 D N 7.672 128.131 120.400 0.097 0.000 2.422 465 D HA 0.165 nan 4.640 nan 0.000 0.227 465 D C -0.168 176.148 176.300 0.027 0.000 1.190 465 D CA -1.975 52.059 54.000 0.057 0.000 0.905 465 D CB 0.080 40.918 40.800 0.064 0.000 1.034 465 D HN 0.205 8.545 8.370 0.149 0.120 0.507 466 I N -0.754 119.813 120.570 -0.006 0.000 2.648 466 I HA 0.092 nan 4.170 nan 0.000 0.284 466 I C -0.999 175.114 176.117 -0.007 0.000 1.153 466 I CA 0.197 61.475 61.300 -0.037 0.000 1.426 466 I CB 0.719 38.701 38.000 -0.029 0.000 1.381 466 I HN -0.663 7.551 8.210 0.007 0.000 0.571 467 A N 6.177 128.989 122.820 -0.013 0.000 2.524 467 A HA -0.030 nan 4.320 nan 0.000 0.250 467 A C -0.211 177.377 177.584 0.006 0.000 1.078 467 A CA 0.486 52.518 52.037 -0.009 0.000 0.761 467 A CB 0.218 19.203 19.000 -0.025 0.000 1.012 467 A HN 0.190 8.321 8.150 -0.032 0.000 0.500 468 G N 1.282 110.096 108.800 0.024 0.000 2.322 468 G HA2 0.042 nan 3.960 nan 0.000 0.309 468 G HA3 0.042 nan 3.960 nan 0.000 0.309 468 G C -1.525 173.451 174.900 0.126 0.000 1.121 468 G CA -1.567 43.576 45.100 0.071 0.000 0.886 468 G HN 0.044 8.341 8.290 0.011 0.000 0.447 469 F N 5.665 125.612 119.950 -0.004 0.000 2.276 469 F HA -0.500 nan 4.527 nan 0.000 0.428 469 F C -1.762 174.046 175.800 0.013 0.000 0.915 469 F CA 1.639 59.639 58.000 -0.000 0.000 1.051 469 F CB 0.478 39.463 39.000 -0.026 0.000 0.847 469 F HN -0.328 8.298 8.300 0.285 -0.154 0.511 470 E N 4.815 124.938 120.200 -0.129 0.000 2.392 470 E HA 0.266 nan 4.350 nan 0.000 0.269 470 E C -1.927 174.606 176.600 -0.112 0.000 0.924 470 E CA -2.303 54.081 56.400 -0.027 0.000 0.784 470 E CB 3.795 33.541 29.700 0.078 0.000 1.292 470 E HN 0.257 8.774 8.360 -0.287 -0.330 0.447 471 I N 1.043 121.615 120.570 0.003 0.000 2.466 471 I HA 0.298 nan 4.170 nan 0.000 0.279 471 I C -1.519 174.673 176.117 0.125 0.000 1.033 471 I CA -1.581 59.710 61.300 -0.014 0.000 1.123 471 I CB 1.232 39.184 38.000 -0.079 0.000 1.237 471 I HN 0.320 8.558 8.210 0.046 0.000 0.460 472 F N 8.847 128.733 119.950 -0.105 0.000 2.352 472 F HA -0.127 nan 4.527 nan 0.000 0.304 472 F C 0.208 175.957 175.800 -0.086 0.000 1.215 472 F CA -0.282 57.673 58.000 -0.075 0.000 1.121 472 F CB 1.228 40.206 39.000 -0.037 0.000 1.329 472 F HN 0.368 9.193 8.300 0.285 -0.354 0.528 473 E N -0.043 120.207 120.200 0.083 0.000 2.014 473 E HA -0.122 nan 4.350 nan 0.000 0.190 473 E C 0.403 177.049 176.600 0.076 0.000 0.980 473 E CA 2.079 58.499 56.400 0.032 0.000 0.807 473 E CB -0.034 29.660 29.700 -0.010 0.000 0.770 473 E HN 0.122 8.474 8.360 -0.013 0.000 0.451 474 I N 0.112 120.770 120.570 0.147 0.000 2.352 474 I HA -0.070 nan 4.170 nan 0.000 0.303 474 I C -1.131 175.096 176.117 0.183 0.000 1.194 474 I CA -0.520 60.871 61.300 0.151 0.000 1.518 474 I CB -2.217 35.872 38.000 0.149 0.000 1.489 474 I HN -0.137 8.169 8.210 0.161 0.000 0.702 475 N N 5.549 124.330 118.700 0.136 0.000 2.503 475 N HA 0.062 nan 4.740 nan 0.000 0.267 475 N C -1.145 174.582 175.510 0.363 0.000 1.214 475 N CA 0.901 54.047 53.050 0.159 0.000 0.959 475 N CB 1.873 40.384 38.487 0.040 0.000 1.142 475 N HN -0.425 7.961 8.380 0.078 0.041 0.455 476 S N 0.264 116.206 115.700 0.405 0.000 2.800 476 S HA 0.199 nan 4.470 nan 0.000 0.293 476 S C -0.691 173.942 174.600 0.054 0.000 1.209 476 S CA -1.003 57.535 58.200 0.563 0.000 0.884 476 S CB 1.896 65.323 63.200 0.378 0.000 1.244 476 S HN -0.268 8.207 8.310 0.275 0.000 0.540 477 F N 3.314 122.862 119.950 -0.670 0.000 2.202 477 F HA -0.314 nan 4.527 nan 0.000 0.301 477 F C 0.797 176.293 175.800 -0.506 0.000 1.082 477 F CA 3.565 60.984 58.000 -0.969 0.000 1.313 477 F CB 0.039 38.439 39.000 -1.000 0.000 1.024 477 F HN 0.596 8.702 8.300 -0.325 0.000 0.495 478 E N -2.033 117.984 120.200 -0.304 0.000 2.085 478 E HA -0.376 nan 4.350 nan 0.000 0.194 478 E C 2.580 178.975 176.600 -0.342 0.000 0.994 478 E CA 4.351 60.575 56.400 -0.292 0.000 0.801 478 E CB -0.949 28.667 29.700 -0.140 0.000 0.743 478 E HN 0.489 8.742 8.360 -0.128 0.030 0.453 479 Q N -1.273 118.384 119.800 -0.238 0.000 2.302 479 Q HA -0.071 nan 4.340 nan 0.000 0.202 479 Q C 2.347 178.296 176.000 -0.084 0.000 0.936 479 Q CA 2.099 57.839 55.803 -0.106 0.000 0.886 479 Q CB -0.066 28.689 28.738 0.027 0.000 0.986 479 Q HN -0.157 7.883 8.270 -0.173 0.126 0.487 480 L N 1.274 122.212 121.223 -0.475 0.000 2.043 480 L HA -0.391 nan 4.340 nan 0.000 0.212 480 L C 1.777 178.370 176.870 -0.462 0.000 1.075 480 L CA 3.547 57.906 54.840 -0.801 0.000 0.752 480 L CB -0.144 41.277 42.059 -1.063 0.000 0.891 480 L HN 0.370 8.138 8.230 -0.479 0.175 0.432 481 C N -1.961 116.936 119.300 -0.672 0.000 2.476 481 C HA -0.354 nan 4.460 nan 0.000 0.278 481 C C 1.966 176.830 174.990 -0.210 0.000 1.274 481 C CA 4.593 63.328 59.018 -0.473 0.000 1.713 481 C CB -1.555 25.568 27.740 -1.029 0.000 2.039 481 C HN 0.126 7.766 8.230 -0.982 0.000 0.484 482 I N 0.308 120.734 120.570 -0.240 0.000 2.151 482 I HA -0.641 nan 4.170 nan 0.000 0.243 482 I C 1.330 177.404 176.117 -0.072 0.000 1.080 482 I CA 4.336 65.556 61.300 -0.135 0.000 1.339 482 I CB -0.186 37.728 38.000 -0.145 0.000 1.039 482 I HN -0.413 7.546 8.210 -0.323 0.057 0.409 483 N N -3.523 115.112 118.700 -0.108 0.000 2.314 483 N HA -0.045 nan 4.740 nan 0.000 0.200 483 N C 0.551 176.028 175.510 -0.054 0.000 1.135 483 N CA 0.664 53.593 53.050 -0.202 0.000 0.835 483 N CB -0.579 37.535 38.487 -0.622 0.000 0.989 483 N HN -0.106 8.224 8.380 -0.082 0.000 0.478 484 Y N 1.659 121.934 120.300 -0.042 0.000 2.266 484 Y HA -0.080 nan 4.550 nan 0.000 0.294 484 Y C 0.767 176.716 175.900 0.082 0.000 1.127 484 Y CA 2.606 60.742 58.100 0.060 0.000 1.140 484 Y CB 0.784 39.312 38.460 0.114 0.000 1.071 484 Y HN -0.804 7.373 8.280 0.137 0.185 0.525 485 T N 2.594 117.154 114.554 0.010 0.000 2.685 485 T HA -0.566 nan 4.350 nan 0.000 0.268 485 T C 2.351 176.985 174.700 -0.109 0.000 1.034 485 T CA 5.310 67.347 62.100 -0.106 0.000 1.149 485 T CB -0.936 67.920 68.868 -0.021 0.000 0.860 485 T HN 0.500 8.823 8.240 0.138 0.000 0.449 486 N N 0.766 119.478 118.700 0.021 0.000 2.037 486 N HA -0.410 nan 4.740 nan 0.000 0.196 486 N C 1.954 177.404 175.510 -0.101 0.000 1.034 486 N CA 3.874 56.990 53.050 0.110 0.000 0.861 486 N CB -0.284 38.474 38.487 0.453 0.000 1.039 486 N HN -0.514 7.903 8.380 0.062 0.001 0.427 487 E N 0.276 120.425 120.200 -0.085 0.000 2.047 487 E HA -0.217 nan 4.350 nan 0.000 0.191 487 E C 2.259 178.738 176.600 -0.201 0.000 0.987 487 E CA 2.625 58.902 56.400 -0.205 0.000 0.799 487 E CB -0.285 29.479 29.700 0.107 0.000 0.752 487 E HN -0.445 7.822 8.360 0.024 0.107 0.449 488 K N -0.732 119.510 120.400 -0.263 0.000 2.026 488 K HA -0.265 nan 4.320 nan 0.000 0.208 488 K C 2.713 179.206 176.600 -0.178 0.000 1.048 488 K CA 2.628 58.735 56.287 -0.300 0.000 0.929 488 K CB -0.134 31.979 32.500 -0.644 0.000 0.713 488 K HN -0.008 8.039 8.250 -0.339 0.000 0.439 489 L N -0.904 120.223 121.223 -0.161 0.000 2.083 489 L HA -0.340 nan 4.340 nan 0.000 0.209 489 L C 1.665 178.509 176.870 -0.043 0.000 1.083 489 L CA 2.868 57.676 54.840 -0.052 0.000 0.752 489 L CB -0.376 41.668 42.059 -0.025 0.000 0.899 489 L HN 0.155 8.267 8.230 -0.195 0.000 0.433 490 Q N -1.051 118.636 119.800 -0.188 0.000 2.084 490 Q HA -0.427 nan 4.340 nan 0.000 0.202 490 Q C 2.340 178.332 176.000 -0.014 0.000 0.978 490 Q CA 2.908 58.581 55.803 -0.217 0.000 0.844 490 Q CB -0.598 27.751 28.738 -0.647 0.000 0.898 490 Q HN -0.211 7.814 8.270 -0.263 0.087 0.426 491 Q N -0.884 118.910 119.800 -0.010 0.000 2.297 491 Q HA -0.204 nan 4.340 nan 0.000 0.204 491 Q C 2.412 178.480 176.000 0.114 0.000 0.962 491 Q CA 1.931 57.780 55.803 0.076 0.000 0.879 491 Q CB -0.523 28.263 28.738 0.080 0.000 0.947 491 Q HN -0.574 7.654 8.270 -0.070 0.000 0.462 492 L N 1.309 122.593 121.223 0.101 0.000 1.955 492 L HA -0.386 nan 4.340 nan 0.000 0.213 492 L C 1.056 178.046 176.870 0.200 0.000 1.072 492 L CA 3.480 58.408 54.840 0.148 0.000 0.755 492 L CB -0.561 41.597 42.059 0.166 0.000 0.888 492 L HN -0.710 7.478 8.230 0.058 0.077 0.432 493 F N -1.244 118.759 119.950 0.087 0.000 2.085 493 F HA -0.611 nan 4.527 nan 0.000 0.299 493 F C 1.831 177.596 175.800 -0.059 0.000 1.096 493 F CA 3.546 61.526 58.000 -0.034 0.000 1.227 493 F CB -0.383 38.368 39.000 -0.415 0.000 0.983 493 F HN -0.105 8.382 8.300 0.311 0.000 0.482 494 N N -0.873 117.701 118.700 -0.209 0.000 2.106 494 N HA -0.394 nan 4.740 nan 0.000 0.188 494 N C 1.818 177.276 175.510 -0.087 0.000 1.029 494 N CA 3.659 56.645 53.050 -0.105 0.000 0.848 494 N CB -0.129 38.474 38.487 0.193 0.000 1.007 494 N HN -0.559 7.741 8.380 0.070 0.122 0.423 495 H N 0.684 119.734 119.070 -0.032 0.000 2.389 495 H HA -0.203 nan 4.556 nan 0.000 0.299 495 H C 2.100 177.389 175.328 -0.064 0.000 1.081 495 H CA 4.869 60.917 56.048 -0.001 0.000 1.345 495 H CB 0.487 30.265 29.762 0.027 0.000 1.393 495 H HN -0.369 8.009 8.280 0.165 0.000 0.520 496 T N -1.920 112.628 114.554 -0.009 0.000 2.746 496 T HA -0.336 nan 4.350 nan 0.000 0.267 496 T C 1.649 176.211 174.700 -0.229 0.000 1.039 496 T CA 3.555 65.617 62.100 -0.064 0.000 1.142 496 T CB -0.213 68.662 68.868 0.011 0.000 0.866 496 T HN 0.010 8.261 8.240 0.018 0.000 0.444 497 M N -1.117 118.167 119.600 -0.527 0.000 2.333 497 M HA 0.070 nan 4.480 nan 0.000 0.257 497 M C -0.473 175.157 176.300 -1.117 0.000 1.078 497 M CA 1.785 56.600 55.300 -0.809 0.000 1.005 497 M CB 1.039 32.974 32.600 -1.108 0.000 1.444 497 M HN -0.508 7.288 8.290 -0.603 0.133 0.496 498 F N -3.628 116.149 119.950 -0.290 0.000 2.444 498 F HA 0.136 nan 4.527 nan 0.000 0.263 498 F C 1.072 176.855 175.800 -0.029 0.000 0.912 498 F CA 1.800 59.688 58.000 -0.187 0.000 1.122 498 F CB 0.981 39.856 39.000 -0.207 0.000 1.246 498 F HN -0.094 7.884 8.300 -0.538 0.000 0.752 499 I N -0.503 120.125 120.570 0.096 0.000 2.058 499 I HA -0.537 nan 4.170 nan 0.000 0.235 499 I C 1.772 177.917 176.117 0.047 0.000 1.053 499 I CA 4.660 65.997 61.300 0.062 0.000 1.313 499 I CB 0.046 37.911 38.000 -0.225 0.000 1.039 499 I HN -0.814 7.428 8.210 0.053 0.000 0.396 500 L N -2.801 118.397 121.223 -0.042 0.000 2.083 500 L HA -0.458 nan 4.340 nan 0.000 0.209 500 L C 2.167 179.028 176.870 -0.014 0.000 1.083 500 L CA 3.015 57.861 54.840 0.011 0.000 0.752 500 L CB -0.836 41.249 42.059 0.042 0.000 0.899 500 L HN -0.780 7.378 8.230 -0.121 0.000 0.433 501 E N -0.693 119.459 120.200 -0.079 0.000 2.013 501 E HA -0.485 nan 4.350 nan 0.000 0.202 501 E C 2.329 178.741 176.600 -0.313 0.000 1.018 501 E CA 2.960 59.223 56.400 -0.228 0.000 0.834 501 E CB -0.757 28.796 29.700 -0.245 0.000 0.770 501 E HN -0.095 8.198 8.360 -0.083 0.017 0.459 502 Q N -1.600 118.190 119.800 -0.017 0.000 2.291 502 Q HA -0.297 nan 4.340 nan 0.000 0.205 502 Q C 2.701 178.887 176.000 0.309 0.000 0.970 502 Q CA 2.671 58.651 55.803 0.296 0.000 0.876 502 Q CB -0.110 29.024 28.738 0.660 0.000 0.935 502 Q HN -0.592 7.737 8.270 0.098 0.000 0.455 503 E N -0.651 119.654 120.200 0.175 0.000 2.049 503 E HA -0.386 nan 4.350 nan 0.000 0.198 503 E C 2.403 179.088 176.600 0.141 0.000 1.007 503 E CA 3.156 59.623 56.400 0.113 0.000 0.809 503 E CB -0.735 29.009 29.700 0.073 0.000 0.749 503 E HN -0.282 8.152 8.360 0.152 0.017 0.450 504 E N -0.442 119.832 120.200 0.123 0.000 2.204 504 E HA -0.264 nan 4.350 nan 0.000 0.195 504 E C 2.450 179.282 176.600 0.387 0.000 0.990 504 E CA 2.633 59.156 56.400 0.206 0.000 0.821 504 E CB -0.477 29.331 29.700 0.180 0.000 0.750 504 E HN -0.450 7.945 8.360 0.058 0.000 0.477 505 Y N -2.255 118.187 120.300 0.237 0.000 2.242 505 Y HA -0.282 nan 4.550 nan 0.000 0.291 505 Y C 2.581 178.607 175.900 0.210 0.000 1.137 505 Y CA 1.080 59.307 58.100 0.212 0.000 1.181 505 Y CB -0.627 38.014 38.460 0.302 0.000 0.989 505 Y HN -0.596 7.686 8.280 0.204 0.120 0.527 506 Q N -2.287 117.719 119.800 0.344 0.000 2.030 506 Q HA -0.297 nan 4.340 nan 0.000 0.204 506 Q C 2.472 178.578 176.000 0.176 0.000 0.986 506 Q CA 2.455 58.376 55.803 0.197 0.000 0.843 506 Q CB -0.225 28.576 28.738 0.105 0.000 0.904 506 Q HN -0.352 8.130 8.270 0.352 0.000 0.420 507 R N -0.548 120.062 120.500 0.182 0.000 2.171 507 R HA -0.359 nan 4.340 nan 0.000 0.232 507 R C 3.110 179.511 176.300 0.169 0.000 1.116 507 R CA 2.711 58.905 56.100 0.156 0.000 0.901 507 R CB -0.376 30.015 30.300 0.151 0.000 0.850 507 R HN -0.487 7.897 8.270 0.190 0.000 0.431 508 E N -2.997 117.347 120.200 0.241 0.000 2.483 508 E HA -0.265 nan 4.350 nan 0.000 0.205 508 E C 0.561 177.271 176.600 0.183 0.000 1.075 508 E CA 1.452 57.990 56.400 0.230 0.000 0.889 508 E CB -0.746 29.200 29.700 0.409 0.000 0.816 508 E HN -0.478 8.075 8.360 0.321 0.000 0.567 509 G N -2.305 106.588 108.800 0.155 0.000 2.212 509 G HA2 -0.422 nan 3.960 nan 0.000 0.266 509 G HA3 -0.422 nan 3.960 nan 0.000 0.266 509 G C -0.705 174.268 174.900 0.121 0.000 0.978 509 G CA 0.897 46.067 45.100 0.116 0.000 0.632 509 G HN -0.174 8.118 8.290 0.153 0.090 0.537 510 I N -2.735 117.933 120.570 0.164 0.000 2.588 510 I HA -0.008 nan 4.170 nan 0.000 0.283 510 I C -0.233 175.948 176.117 0.107 0.000 1.119 510 I CA -1.015 60.364 61.300 0.133 0.000 1.419 510 I CB 0.562 38.657 38.000 0.158 0.000 1.394 510 I HN -0.730 7.523 8.210 0.218 0.088 0.562 511 E N 8.238 128.493 120.200 0.092 0.000 2.406 511 E HA -0.255 nan 4.350 nan 0.000 0.247 511 E C -1.695 175.011 176.600 0.175 0.000 1.160 511 E CA 0.852 57.315 56.400 0.104 0.000 0.950 511 E CB -0.534 29.222 29.700 0.094 0.000 0.993 511 E HN 0.380 8.790 8.360 0.083 0.000 0.472 512 W N 6.922 128.180 121.300 -0.070 0.000 3.544 512 W HA 0.116 nan 4.660 nan 0.000 0.326 512 W C -2.483 174.045 176.519 0.014 0.000 1.137 512 W CA -0.686 56.605 57.345 -0.091 0.000 1.252 512 W CB 2.327 31.606 29.460 -0.302 0.000 1.302 512 W HN -0.139 8.094 8.180 0.141 0.031 0.467 513 N N 6.025 124.199 118.700 -0.877 0.000 2.525 513 N HA -0.084 nan 4.740 nan 0.000 0.271 513 N C -2.109 172.824 175.510 -0.961 0.000 1.194 513 N CA -0.331 52.262 53.050 -0.761 0.000 0.964 513 N CB 1.098 39.251 38.487 -0.557 0.000 1.126 513 N HN 0.027 7.896 8.380 -0.852 0.000 0.452 514 F N 1.329 120.987 119.950 -0.486 0.000 2.456 514 F HA -0.046 nan 4.527 nan 0.000 0.358 514 F C -1.083 174.567 175.800 -0.251 0.000 1.095 514 F CA 0.507 58.354 58.000 -0.256 0.000 1.216 514 F CB 0.736 39.677 39.000 -0.098 0.000 1.125 514 F HN -0.059 8.195 8.300 -0.077 0.000 0.549 515 I N 8.840 128.895 120.570 -0.859 0.000 2.474 515 I HA 0.120 nan 4.170 nan 0.000 0.294 515 I C -1.639 173.681 176.117 -1.328 0.000 1.005 515 I CA -1.588 59.178 61.300 -0.889 0.000 1.113 515 I CB 2.813 40.440 38.000 -0.622 0.000 1.289 515 I HN 0.402 8.551 8.210 -0.708 -0.363 0.436 516 D N 6.001 125.844 120.400 -0.928 0.000 2.193 516 D HA 0.089 nan 4.640 nan 0.000 0.249 516 D C -0.332 175.620 176.300 -0.580 0.000 1.034 516 D CA -0.972 52.682 54.000 -0.576 0.000 0.902 516 D CB 1.496 42.198 40.800 -0.163 0.000 1.182 516 D HN -0.074 7.908 8.370 -0.646 0.000 0.436 517 F N 0.422 120.253 119.950 -0.199 0.000 2.724 517 F HA 0.297 nan 4.527 nan 0.000 0.306 517 F C -0.362 175.316 175.800 -0.203 0.000 1.100 517 F CA 0.122 57.983 58.000 -0.232 0.000 1.255 517 F CB 0.784 39.525 39.000 -0.431 0.000 1.072 517 F HN 0.363 8.681 8.300 0.030 0.000 0.589 518 G N 0.412 109.214 108.800 0.003 0.000 2.246 518 G HA2 -0.403 nan 3.960 nan 0.000 0.273 518 G HA3 -0.403 nan 3.960 nan 0.000 0.273 518 G C -0.608 174.272 174.900 -0.034 0.000 1.055 518 G CA 0.743 45.842 45.100 -0.002 0.000 0.851 518 G HN -0.572 8.144 8.290 0.002 -0.425 0.500 519 L N -0.776 120.383 121.223 -0.107 0.000 2.784 519 L HA 0.122 nan 4.340 nan 0.000 0.241 519 L C -1.969 174.870 176.870 -0.051 0.000 1.352 519 L CA -0.969 53.762 54.840 -0.181 0.000 0.911 519 L CB 0.690 42.396 42.059 -0.589 0.000 1.227 519 L HN -0.233 7.946 8.230 -0.086 0.000 0.501 520 D N 0.011 120.429 120.400 0.029 0.000 2.414 520 D HA 0.261 nan 4.640 nan 0.000 0.232 520 D C -0.843 175.513 176.300 0.095 0.000 1.070 520 D CA -0.716 53.337 54.000 0.089 0.000 0.839 520 D CB 1.207 42.067 40.800 0.100 0.000 1.079 520 D HN -0.368 7.946 8.370 0.025 0.071 0.521 521 L N 4.929 126.216 121.223 0.107 0.000 2.585 521 L HA 0.170 nan 4.340 nan 0.000 0.226 521 L C 1.340 178.296 176.870 0.142 0.000 1.113 521 L CA 0.159 55.071 54.840 0.121 0.000 0.876 521 L CB 0.313 42.434 42.059 0.103 0.000 1.072 521 L HN 0.255 8.863 8.230 0.111 -0.311 0.468 522 Q N 1.247 121.129 119.800 0.136 0.000 2.165 522 Q HA -0.306 nan 4.340 nan 0.000 0.215 522 Q C -1.106 174.992 176.000 0.162 0.000 1.010 522 Q CA 5.601 61.489 55.803 0.142 0.000 0.896 522 Q CB -2.373 26.444 28.738 0.131 0.000 0.956 522 Q HN -0.461 8.041 8.270 0.131 -0.153 0.413 523 P HA -0.371 nan 4.420 nan 0.000 0.218 523 P C 1.021 178.510 177.300 0.316 0.000 1.152 523 P CA 2.653 65.901 63.100 0.246 0.000 0.857 523 P CB -0.617 31.236 31.700 0.255 0.000 0.787 524 C N -4.839 114.606 119.300 0.240 0.000 2.467 524 C HA -0.114 nan 4.460 nan 0.000 0.279 524 C C 2.211 177.353 174.990 0.252 0.000 1.347 524 C CA 2.450 61.594 59.018 0.211 0.000 1.748 524 C CB -1.390 26.510 27.740 0.267 0.000 1.977 524 C HN -0.057 8.307 8.230 0.224 0.000 0.501 525 I N 0.073 120.798 120.570 0.258 0.000 2.277 525 I HA -0.420 nan 4.170 nan 0.000 0.243 525 I C 1.653 177.904 176.117 0.222 0.000 1.094 525 I CA 3.771 65.239 61.300 0.279 0.000 1.393 525 I CB -0.435 37.703 38.000 0.230 0.000 1.078 525 I HN -0.218 7.999 8.210 0.228 0.130 0.417 526 E N -0.918 119.389 120.200 0.177 0.000 2.113 526 E HA -0.445 nan 4.350 nan 0.000 0.210 526 E C 2.634 179.315 176.600 0.135 0.000 1.040 526 E CA 2.997 59.480 56.400 0.138 0.000 0.847 526 E CB -1.177 28.597 29.700 0.123 0.000 0.755 526 E HN 0.298 8.673 8.360 0.168 0.085 0.459 527 L N -1.271 120.067 121.223 0.191 0.000 2.187 527 L HA -0.258 nan 4.340 nan 0.000 0.213 527 L C 1.628 178.557 176.870 0.099 0.000 1.100 527 L CA 2.458 57.387 54.840 0.149 0.000 0.765 527 L CB -0.006 42.122 42.059 0.115 0.000 0.904 527 L HN -0.691 7.581 8.230 0.234 0.098 0.437 528 I N -2.134 118.512 120.570 0.128 0.000 2.556 528 I HA -0.309 nan 4.170 nan 0.000 0.251 528 I C 0.602 176.712 176.117 -0.011 0.000 1.105 528 I CA 3.359 64.702 61.300 0.072 0.000 1.436 528 I CB 0.630 38.687 38.000 0.096 0.000 1.139 528 I HN -0.332 7.892 8.210 0.173 0.091 0.438 529 E N -1.984 118.231 120.200 0.027 0.000 2.511 529 E HA 0.059 nan 4.350 nan 0.000 0.209 529 E C -0.077 176.542 176.600 0.032 0.000 0.986 529 E CA -0.769 55.632 56.400 0.001 0.000 0.974 529 E CB 0.884 30.673 29.700 0.149 0.000 1.030 529 E HN 0.390 8.597 8.360 0.092 0.208 0.490 530 R N 2.655 123.180 120.500 0.041 0.000 2.242 530 R HA 0.283 nan 4.340 nan 0.000 0.334 530 R C -1.123 175.187 176.300 0.017 0.000 1.071 530 R CA -2.086 54.036 56.100 0.036 0.000 0.922 530 R CB 0.455 30.779 30.300 0.040 0.000 1.023 530 R HN -0.247 8.049 8.270 0.043 0.000 0.458 531 P HA -0.011 nan 4.420 nan 0.000 0.214 531 P C -0.986 176.325 177.300 0.018 0.000 1.162 531 P CA 1.875 64.985 63.100 0.016 0.000 0.874 531 P CB -0.084 31.628 31.700 0.020 0.000 0.784 532 T N -5.355 109.209 114.554 0.017 0.000 2.902 532 T HA 0.071 nan 4.350 nan 0.000 0.287 532 T C -0.470 174.233 174.700 0.004 0.000 1.048 532 T CA -1.285 60.823 62.100 0.014 0.000 0.941 532 T CB 2.023 70.901 68.868 0.017 0.000 1.432 532 T HN -0.337 7.913 8.240 0.018 0.000 0.586 533 N N -2.414 116.286 118.700 0.000 0.000 1.476 533 N HA -0.137 nan 4.740 nan 0.000 0.130 533 N C -2.196 173.301 175.510 -0.021 0.000 0.863 533 N CA 0.901 53.946 53.050 -0.009 0.000 0.896 533 N CB -1.901 36.581 38.487 -0.008 0.000 1.018 533 N HN 0.156 8.539 8.380 0.004 0.000 0.624 534 P HA 0.372 nan 4.420 nan 0.000 0.280 534 P C -2.098 175.172 177.300 -0.050 0.000 1.300 534 P CA -0.819 62.250 63.100 -0.052 0.000 0.785 534 P CB -0.601 31.057 31.700 -0.070 0.000 0.874 535 P HA 0.102 nan 4.420 nan 0.000 0.274 535 P C -1.288 175.979 177.300 -0.054 0.000 1.231 535 P CA -0.698 62.380 63.100 -0.036 0.000 0.790 535 P CB 0.804 32.486 31.700 -0.028 0.000 0.951 536 G N -0.211 108.573 108.800 -0.027 0.000 2.613 536 G HA2 0.373 nan 3.960 nan 0.000 0.303 536 G HA3 0.373 nan 3.960 nan 0.000 0.303 536 G C 0.307 175.207 174.900 0.000 0.000 1.312 536 G CA -1.805 43.278 45.100 -0.029 0.000 1.036 536 G HN -0.471 7.814 8.290 -0.010 0.000 0.513 537 V N 1.706 121.640 119.914 0.035 0.000 2.236 537 V HA -0.578 nan 4.120 nan 0.000 0.255 537 V C 2.173 178.372 176.094 0.175 0.000 1.068 537 V CA 4.352 66.763 62.300 0.186 0.000 1.044 537 V CB -0.398 31.583 31.823 0.264 0.000 0.653 537 V HN 0.383 8.491 8.190 0.019 0.094 0.448 538 L N -2.560 118.673 121.223 0.016 0.000 2.017 538 L HA -0.414 nan 4.340 nan 0.000 0.208 538 L C 1.979 178.799 176.870 -0.082 0.000 1.073 538 L CA 3.184 57.975 54.840 -0.082 0.000 0.745 538 L CB -0.900 41.055 42.059 -0.172 0.000 0.894 538 L HN 0.115 8.226 8.230 -0.011 0.112 0.432 539 A N -0.788 122.006 122.820 -0.045 0.000 1.898 539 A HA -0.269 nan 4.320 nan 0.000 0.216 539 A C 2.209 179.775 177.584 -0.031 0.000 1.181 539 A CA 3.067 55.080 52.037 -0.041 0.000 0.620 539 A CB -0.982 18.008 19.000 -0.016 0.000 0.819 539 A HN -0.357 7.777 8.150 -0.026 0.000 0.442 540 L N -2.111 119.118 121.223 0.010 0.000 2.083 540 L HA -0.353 nan 4.340 nan 0.000 0.209 540 L C 2.057 178.956 176.870 0.048 0.000 1.083 540 L CA 2.891 57.754 54.840 0.038 0.000 0.752 540 L CB -0.313 41.795 42.059 0.082 0.000 0.899 540 L HN 0.091 8.337 8.230 0.026 0.000 0.433 541 L N -1.341 119.884 121.223 0.003 0.000 2.240 541 L HA -0.299 nan 4.340 nan 0.000 0.211 541 L C 1.816 178.494 176.870 -0.320 0.000 1.106 541 L CA 2.702 57.393 54.840 -0.249 0.000 0.793 541 L CB -0.585 41.161 42.059 -0.521 0.000 0.927 541 L HN -0.044 8.162 8.230 0.071 0.067 0.446 542 D N 0.079 120.286 120.400 -0.321 0.000 2.084 542 D HA -0.362 nan 4.640 nan 0.000 0.194 542 D C 2.060 178.048 176.300 -0.521 0.000 0.990 542 D CA 3.914 57.578 54.000 -0.560 0.000 0.826 542 D CB -0.696 39.819 40.800 -0.475 0.000 0.971 542 D HN 0.407 8.456 8.370 -0.228 0.184 0.453 543 E N 0.103 120.231 120.200 -0.120 0.000 2.012 543 E HA -0.343 nan 4.350 nan 0.000 0.197 543 E C 2.163 178.810 176.600 0.077 0.000 1.007 543 E CA 2.954 59.440 56.400 0.143 0.000 0.816 543 E CB -0.008 29.726 29.700 0.056 0.000 0.762 543 E HN -0.595 7.700 8.360 -0.108 0.000 0.451 544 E N -3.095 117.044 120.200 -0.102 0.000 2.233 544 E HA -0.256 nan 4.350 nan 0.000 0.199 544 E C 2.322 178.920 176.600 -0.003 0.000 1.004 544 E CA 2.140 58.503 56.400 -0.062 0.000 0.819 544 E CB -0.235 29.447 29.700 -0.030 0.000 0.738 544 E HN 0.156 8.442 8.360 -0.124 0.000 0.478 545 C N -1.610 117.587 119.300 -0.171 0.000 2.476 545 C HA -0.006 nan 4.460 nan 0.000 0.278 545 C C 2.466 177.425 174.990 -0.051 0.000 1.274 545 C CA 1.310 60.176 59.018 -0.253 0.000 1.713 545 C CB -0.858 26.561 27.740 -0.535 0.000 2.039 545 C HN -0.278 7.546 8.230 -0.268 0.246 0.484 546 W N 0.469 121.816 121.300 0.079 0.000 3.435 546 W HA -0.046 nan 4.660 nan 0.000 0.303 546 W C -1.031 175.614 176.519 0.210 0.000 1.297 546 W CA -0.073 57.343 57.345 0.119 0.000 1.638 546 W CB -2.125 27.405 29.460 0.117 0.000 1.015 546 W HN -0.022 8.108 8.180 -0.083 0.000 0.760 547 F N 0.393 120.435 119.950 0.154 0.000 2.539 547 F HA 0.292 nan 4.527 nan 0.000 0.318 547 F C -1.235 174.611 175.800 0.078 0.000 1.135 547 F CA -3.458 54.610 58.000 0.113 0.000 0.915 547 F CB 2.916 41.974 39.000 0.098 0.000 1.176 547 F HN -0.481 7.926 8.300 0.333 0.093 0.440 548 P HA -0.070 nan 4.420 nan 0.000 0.221 548 P C 0.543 177.905 177.300 0.104 0.000 1.155 548 P CA 1.227 64.343 63.100 0.027 0.000 0.812 548 P CB 0.511 32.173 31.700 -0.063 0.000 0.801 549 K N -0.385 120.126 120.400 0.185 0.000 2.522 549 K HA -0.070 nan 4.320 nan 0.000 0.194 549 K C -1.522 175.236 176.600 0.263 0.000 1.026 549 K CA -0.981 55.445 56.287 0.231 0.000 1.119 549 K CB -0.506 32.152 32.500 0.264 0.000 0.856 549 K HN 0.217 8.548 8.250 0.135 0.000 0.513 550 A N -0.901 122.087 122.820 0.281 0.000 2.330 550 A HA 0.352 nan 4.320 nan 0.000 0.313 550 A C -1.229 176.448 177.584 0.154 0.000 1.124 550 A CA -0.538 51.635 52.037 0.227 0.000 0.774 550 A CB 1.910 21.081 19.000 0.286 0.000 1.198 550 A HN -0.701 7.486 8.150 0.237 0.105 0.465 551 T N 0.330 114.959 114.554 0.124 0.000 2.893 551 T HA 0.412 nan 4.350 nan 0.000 0.291 551 T C -0.743 174.031 174.700 0.123 0.000 1.028 551 T CA -1.864 60.300 62.100 0.106 0.000 0.995 551 T CB 2.849 71.768 68.868 0.086 0.000 1.051 551 T HN 0.499 8.810 8.240 0.118 0.000 0.470 552 D N 2.530 123.003 120.400 0.122 0.000 2.190 552 D HA -0.359 nan 4.640 nan 0.000 0.200 552 D C 2.045 178.435 176.300 0.149 0.000 0.992 552 D CA 4.377 58.474 54.000 0.162 0.000 0.854 552 D CB -0.481 40.391 40.800 0.120 0.000 0.936 552 D HN 0.397 8.829 8.370 0.103 0.000 0.462 553 T N 0.917 115.522 114.554 0.086 0.000 2.544 553 T HA -0.298 nan 4.350 nan 0.000 0.264 553 T C 2.122 176.838 174.700 0.027 0.000 1.096 553 T CA 3.890 66.018 62.100 0.046 0.000 1.181 553 T CB -0.502 68.392 68.868 0.044 0.000 0.864 553 T HN -0.012 8.292 8.240 0.080 -0.015 0.415 554 S N 2.482 118.208 115.700 0.045 0.000 2.474 554 S HA -0.252 nan 4.470 nan 0.000 0.235 554 S C 1.821 176.418 174.600 -0.004 0.000 0.997 554 S CA 2.761 60.969 58.200 0.014 0.000 0.949 554 S CB -0.423 62.799 63.200 0.037 0.000 0.766 554 S HN -0.368 7.901 8.310 0.069 0.082 0.517 555 F N 3.837 123.753 119.950 -0.056 0.000 2.069 555 F HA -0.344 nan 4.527 nan 0.000 0.298 555 F C 0.997 176.730 175.800 -0.112 0.000 1.113 555 F CA 3.446 61.395 58.000 -0.084 0.000 1.214 555 F CB -0.024 38.947 39.000 -0.049 0.000 0.978 555 F HN 0.299 8.700 8.300 0.194 0.016 0.474 556 V N -1.428 118.183 119.914 -0.505 0.000 2.515 556 V HA -0.456 nan 4.120 nan 0.000 0.250 556 V C 2.105 178.008 176.094 -0.319 0.000 1.058 556 V CA 4.047 66.032 62.300 -0.525 0.000 1.064 556 V CB -1.119 30.568 31.823 -0.226 0.000 0.675 556 V HN -0.440 7.655 8.190 -0.158 0.000 0.461 557 E N -1.176 118.908 120.200 -0.193 0.000 2.110 557 E HA -0.297 nan 4.350 nan 0.000 0.193 557 E C 2.319 178.820 176.600 -0.166 0.000 0.988 557 E CA 2.597 58.918 56.400 -0.131 0.000 0.804 557 E CB -0.985 28.673 29.700 -0.070 0.000 0.745 557 E HN 0.305 8.577 8.360 -0.147 0.000 0.458 558 K N -0.044 120.229 120.400 -0.212 0.000 2.217 558 K HA -0.196 nan 4.320 nan 0.000 0.202 558 K C 2.296 178.720 176.600 -0.292 0.000 1.051 558 K CA 2.703 58.863 56.287 -0.212 0.000 0.952 558 K CB -0.031 32.363 32.500 -0.177 0.000 0.736 558 K HN -0.078 7.836 8.250 -0.222 0.203 0.453 559 L N 0.918 121.872 121.223 -0.449 0.000 2.072 559 L HA -0.260 nan 4.340 nan 0.000 0.205 559 L C 1.909 178.554 176.870 -0.375 0.000 1.079 559 L CA 3.048 57.583 54.840 -0.508 0.000 0.752 559 L CB -0.237 41.365 42.059 -0.762 0.000 0.906 559 L HN -0.031 7.777 8.230 -0.569 0.081 0.436 560 I N -1.657 118.801 120.570 -0.187 0.000 2.179 560 I HA -0.507 nan 4.170 nan 0.000 0.242 560 I C 1.522 177.578 176.117 -0.103 0.000 1.088 560 I CA 2.485 63.754 61.300 -0.052 0.000 1.357 560 I CB -1.312 36.689 38.000 0.002 0.000 1.051 560 I HN 0.031 8.120 8.210 -0.201 0.000 0.409 561 Q N -1.401 118.326 119.800 -0.122 0.000 2.014 561 Q HA -0.337 nan 4.340 nan 0.000 0.207 561 Q C 1.729 177.653 176.000 -0.127 0.000 0.993 561 Q CA 2.796 58.536 55.803 -0.106 0.000 0.850 561 Q CB 0.098 28.774 28.738 -0.104 0.000 0.916 561 Q HN -0.050 8.141 8.270 -0.133 0.000 0.417 562 E N -2.773 117.320 120.200 -0.177 0.000 2.033 562 E HA -0.066 nan 4.350 nan 0.000 0.189 562 E C 1.678 178.150 176.600 -0.213 0.000 0.979 562 E CA 1.800 58.095 56.400 -0.175 0.000 0.802 562 E CB 0.282 29.877 29.700 -0.174 0.000 0.763 562 E HN -0.055 8.074 8.360 -0.206 0.107 0.449 563 Q N -2.912 116.668 119.800 -0.367 0.000 1.990 563 Q HA -0.006 nan 4.340 nan 0.000 0.195 563 Q C 1.608 177.451 176.000 -0.262 0.000 0.977 563 Q CA 0.725 56.256 55.803 -0.454 0.000 0.828 563 Q CB 1.188 29.266 28.738 -1.100 0.000 0.896 563 Q HN -0.280 7.721 8.270 -0.447 0.000 0.447 564 G N -0.309 108.353 108.800 -0.230 0.000 3.133 564 G HA2 -0.427 nan 3.960 nan 0.000 0.357 564 G HA3 -0.427 nan 3.960 nan 0.000 0.357 564 G C 1.073 176.123 174.900 0.251 0.000 1.229 564 G CA 1.728 46.909 45.100 0.134 0.000 1.018 564 G HN -0.280 7.723 8.290 -0.478 0.000 0.635 565 N N 4.466 123.247 118.700 0.134 0.000 2.617 565 N HA -0.272 nan 4.740 nan 0.000 0.198 565 N C -0.674 174.947 175.510 0.186 0.000 1.317 565 N CA -0.653 52.478 53.050 0.134 0.000 0.892 565 N CB -0.642 37.887 38.487 0.070 0.000 1.041 565 N HN 0.210 8.633 8.380 0.072 0.000 0.450 566 H N 1.557 120.697 119.070 0.116 0.000 2.646 566 H HA 0.031 nan 4.556 nan 0.000 0.325 566 H C 0.024 175.433 175.328 0.135 0.000 1.075 566 H CA -0.881 55.226 56.048 0.099 0.000 1.421 566 H CB 1.313 31.116 29.762 0.068 0.000 1.461 566 H HN -0.649 7.746 8.280 0.348 0.094 0.525 567 A N 7.972 131.024 122.820 0.386 0.000 2.478 567 A HA -0.011 nan 4.320 nan 0.000 0.239 567 A C -0.694 176.977 177.584 0.146 0.000 1.480 567 A CA 1.183 53.351 52.037 0.219 0.000 1.308 567 A CB -1.221 17.883 19.000 0.174 0.000 0.899 567 A HN 0.625 9.004 8.150 0.382 0.000 0.600 568 K N -4.237 116.164 120.400 0.001 0.000 2.598 568 K HA 0.171 nan 4.320 nan 0.000 0.185 568 K C -1.927 174.626 176.600 -0.078 0.000 1.458 568 K CA 0.126 56.359 56.287 -0.089 0.000 1.079 568 K CB 2.109 34.509 32.500 -0.166 0.000 1.253 568 K HN 0.119 8.251 8.250 0.004 0.120 0.592 569 F N 0.766 120.606 119.950 -0.183 0.000 2.579 569 F HA 0.608 nan 4.527 nan 0.000 0.324 569 F C -2.109 173.681 175.800 -0.017 0.000 1.058 569 F CA -1.502 56.438 58.000 -0.100 0.000 0.944 569 F CB 3.650 42.588 39.000 -0.103 0.000 1.245 569 F HN -0.562 7.789 8.300 0.085 0.000 0.477 570 Q N 3.791 123.007 119.800 -0.973 0.000 2.438 570 Q HA 0.298 nan 4.340 nan 0.000 0.272 570 Q C -2.147 173.399 176.000 -0.757 0.000 0.994 570 Q CA -0.770 54.676 55.803 -0.595 0.000 0.887 570 Q CB 4.152 32.720 28.738 -0.284 0.000 1.432 570 Q HN 0.308 7.629 8.270 -1.582 0.000 0.392 571 K N 2.752 122.913 120.400 -0.398 0.000 2.180 571 K HA 0.173 nan 4.320 nan 0.000 0.251 571 K C -0.133 176.379 176.600 -0.148 0.000 1.014 571 K CA -0.409 55.748 56.287 -0.215 0.000 0.913 571 K CB 0.351 32.807 32.500 -0.073 0.000 1.008 571 K HN 0.267 8.359 8.250 -0.264 0.000 0.490 572 S N -0.746 114.906 115.700 -0.081 0.000 2.553 572 S HA -0.121 nan 4.470 nan 0.000 0.271 572 S C 1.252 175.815 174.600 -0.062 0.000 1.362 572 S CA 0.838 58.998 58.200 -0.067 0.000 1.010 572 S CB 0.569 63.746 63.200 -0.037 0.000 0.865 572 S HN -0.151 8.132 8.310 -0.046 0.000 0.543 573 K N 2.638 123.003 120.400 -0.058 0.000 2.278 573 K HA -0.043 nan 4.320 nan 0.000 0.237 573 K C 0.206 176.785 176.600 -0.034 0.000 1.229 573 K CA -0.712 55.547 56.287 -0.047 0.000 1.155 573 K CB -2.156 30.316 32.500 -0.047 0.000 1.590 573 K HN 0.515 8.727 8.250 -0.063 0.000 0.290 574 Q N -2.694 117.088 119.800 -0.029 0.000 2.139 574 Q HA -0.489 nan 4.340 nan 0.000 0.176 574 Q C -0.433 175.557 176.000 -0.017 0.000 0.622 574 Q CA 2.289 58.081 55.803 -0.020 0.000 1.479 574 Q CB -0.577 28.151 28.738 -0.016 0.000 1.676 574 Q HN 0.179 8.394 8.270 -0.032 0.036 0.778 575 L N 0.349 121.560 121.223 -0.020 0.000 2.679 575 L HA -0.118 nan 4.340 nan 0.000 0.241 575 L C -0.059 176.804 176.870 -0.012 0.000 1.441 575 L CA -0.268 54.563 54.840 -0.016 0.000 1.181 575 L CB -2.271 39.776 42.059 -0.020 0.000 1.451 575 L HN -0.358 7.745 8.230 -0.026 0.111 0.446 576 K N 1.004 121.399 120.400 -0.008 0.000 2.057 576 K HA -0.369 nan 4.320 nan 0.000 0.207 576 K C 1.244 177.843 176.600 -0.001 0.000 1.049 576 K CA 2.482 58.766 56.287 -0.005 0.000 0.931 576 K CB -0.930 31.567 32.500 -0.005 0.000 0.714 576 K HN 0.194 8.355 8.250 -0.009 0.084 0.440 577 D N -1.140 119.260 120.400 0.001 0.000 2.133 577 D HA -0.359 nan 4.640 nan 0.000 0.192 577 D C 1.357 177.662 176.300 0.007 0.000 1.001 577 D CA 2.887 56.891 54.000 0.006 0.000 0.844 577 D CB -0.767 40.035 40.800 0.005 0.000 0.944 577 D HN 0.297 8.666 8.370 -0.001 0.000 0.447 578 K N -3.425 116.976 120.400 0.002 0.000 2.305 578 K HA -0.062 nan 4.320 nan 0.000 0.199 578 K C -0.898 175.700 176.600 -0.003 0.000 1.047 578 K CA -0.114 56.175 56.287 0.002 0.000 0.976 578 K CB 0.581 33.079 32.500 -0.003 0.000 0.765 578 K HN -0.432 7.817 8.250 -0.002 0.000 0.474 579 T N -1.061 113.490 114.554 -0.005 0.000 2.553 579 T HA -0.375 nan 4.350 nan 0.000 0.502 579 T C -2.103 172.592 174.700 -0.008 0.000 0.809 579 T CA 0.530 62.627 62.100 -0.005 0.000 2.657 579 T CB -2.688 66.180 68.868 -0.000 0.000 1.692 579 T HN -0.272 7.832 8.240 -0.005 0.133 0.515 580 E N 1.157 121.367 120.200 0.017 0.000 2.433 580 E HA 1.015 nan 4.350 nan 0.000 0.278 580 E C -2.317 174.340 176.600 0.096 0.000 0.976 580 E CA -2.296 54.100 56.400 -0.007 0.000 0.793 580 E CB 4.499 34.151 29.700 -0.079 0.000 1.311 580 E HN -0.290 8.085 8.360 0.025 0.000 0.460 581 F N -5.457 114.439 119.950 -0.091 0.000 2.588 581 F HA 0.581 nan 4.527 nan 0.000 0.314 581 F C -1.509 174.200 175.800 -0.151 0.000 1.134 581 F CA -2.122 55.796 58.000 -0.137 0.000 0.961 581 F CB 2.248 41.209 39.000 -0.066 0.000 1.239 581 F HN -0.289 7.732 8.300 -0.465 0.000 0.448 582 C N 4.896 124.083 119.300 -0.188 0.000 2.330 582 C HA 0.820 nan 4.460 nan 0.000 0.344 582 C C -1.269 173.601 174.990 -0.199 0.000 1.273 582 C CA -0.730 58.154 59.018 -0.223 0.000 1.879 582 C CB -0.179 27.445 27.740 -0.192 0.000 2.376 582 C HN 0.465 8.455 8.230 -0.234 0.099 0.534 583 I N -2.416 118.089 120.570 -0.110 0.000 2.647 583 I HA 0.711 nan 4.170 nan 0.000 0.295 583 I C -1.860 174.249 176.117 -0.013 0.000 1.078 583 I CA -2.307 58.972 61.300 -0.035 0.000 1.048 583 I CB 3.268 41.341 38.000 0.121 0.000 1.239 583 I HN 0.667 8.793 8.210 -0.138 0.000 0.421 584 L N 3.446 124.670 121.223 0.001 0.000 2.312 584 L HA 0.144 nan 4.340 nan 0.000 0.287 584 L C -0.305 176.645 176.870 0.134 0.000 1.091 584 L CA -0.484 54.398 54.840 0.070 0.000 0.846 584 L CB -0.463 41.628 42.059 0.053 0.000 1.219 584 L HN 0.297 8.414 8.230 -0.021 0.101 0.439 585 H N 5.608 124.828 119.070 0.251 0.000 2.544 585 H HA 0.172 nan 4.556 nan 0.000 0.365 585 H C 0.672 176.212 175.328 0.354 0.000 1.268 585 H CA -0.323 55.955 56.048 0.383 0.000 1.400 585 H CB 1.843 31.943 29.762 0.563 0.000 1.538 585 H HN 0.434 8.921 8.280 0.345 0.000 0.597 586 Y N -0.095 120.377 120.300 0.287 0.000 2.139 586 Y HA -0.352 nan 4.550 nan 0.000 0.282 586 Y C 0.194 176.097 175.900 0.004 0.000 1.179 586 Y CA 1.822 59.986 58.100 0.106 0.000 1.161 586 Y CB -0.862 37.628 38.460 0.051 0.000 0.970 586 Y HN 0.005 9.341 8.280 0.994 -0.460 0.511 587 A N -1.124 121.337 122.820 -0.598 0.000 3.105 587 A HA 0.056 nan 4.320 nan 0.000 0.272 587 A C -0.378 177.089 177.584 -0.195 0.000 1.466 587 A CA -0.739 50.887 52.037 -0.685 0.000 1.101 587 A CB -1.022 17.058 19.000 -1.533 0.000 1.065 587 A HN -0.142 7.537 8.150 -0.768 0.009 0.643 588 G N 0.076 108.882 108.800 0.011 0.000 2.528 588 G HA2 -0.454 nan 3.960 nan 0.000 0.262 588 G HA3 -0.454 nan 3.960 nan 0.000 0.262 588 G C -1.878 173.138 174.900 0.194 0.000 1.200 588 G CA 0.010 45.163 45.100 0.088 0.000 0.951 588 G HN -0.307 7.897 8.290 0.020 0.098 0.566 589 K N 2.321 122.799 120.400 0.129 0.000 2.156 589 K HA 0.687 nan 4.320 nan 0.000 0.250 589 K C -0.988 175.620 176.600 0.014 0.000 0.955 589 K CA -1.544 54.780 56.287 0.061 0.000 0.855 589 K CB 2.064 34.563 32.500 -0.001 0.000 1.101 589 K HN -0.069 8.246 8.250 0.109 0.000 0.434 590 V N -1.871 117.982 119.914 -0.101 0.000 3.188 590 V HA 0.496 nan 4.120 nan 0.000 0.305 590 V C -2.209 173.659 176.094 -0.377 0.000 1.232 590 V CA -2.267 59.866 62.300 -0.278 0.000 1.043 590 V CB 4.340 35.871 31.823 -0.486 0.000 1.068 590 V HN -0.074 8.059 8.190 -0.094 0.000 0.439 591 T N 2.044 116.344 114.554 -0.423 0.000 2.797 591 T HA 0.603 nan 4.350 nan 0.000 0.279 591 T C -0.986 173.363 174.700 -0.584 0.000 0.991 591 T CA -0.341 61.502 62.100 -0.427 0.000 0.979 591 T CB 0.833 69.552 68.868 -0.248 0.000 0.943 591 T HN 0.291 8.306 8.240 -0.374 0.000 0.444 592 Y N 4.129 124.129 120.300 -0.501 0.000 2.419 592 Y HA 0.271 nan 4.550 nan 0.000 0.328 592 Y C -1.429 174.244 175.900 -0.378 0.000 1.162 592 Y CA -1.369 56.509 58.100 -0.371 0.000 1.174 592 Y CB 2.404 40.593 38.460 -0.451 0.000 1.228 592 Y HN -0.133 7.668 8.280 -0.797 0.000 0.473 593 N N 1.083 119.786 118.700 0.005 0.000 2.399 593 N HA 0.330 nan 4.740 nan 0.000 0.295 593 N C -0.721 174.565 175.510 -0.373 0.000 1.048 593 N CA -1.289 51.690 53.050 -0.118 0.000 0.886 593 N CB 3.024 41.509 38.487 -0.003 0.000 1.185 593 N HN 0.437 8.837 8.380 0.217 0.111 0.487 594 A N 4.108 126.644 122.820 -0.474 0.000 2.178 594 A HA 0.102 nan 4.320 nan 0.000 0.211 594 A C -0.313 177.145 177.584 -0.209 0.000 1.157 594 A CA 0.123 51.727 52.037 -0.722 0.000 0.780 594 A CB 0.479 19.336 19.000 -0.239 0.000 0.828 594 A HN 0.716 8.717 8.150 -0.248 0.000 0.476 595 S N -0.273 115.412 115.700 -0.024 0.000 2.629 595 S HA -0.288 nan 4.470 nan 0.000 0.302 595 S C 0.110 174.819 174.600 0.182 0.000 1.244 595 S CA 1.652 59.903 58.200 0.085 0.000 1.098 595 S CB 0.011 63.259 63.200 0.079 0.000 0.858 595 S HN -0.622 7.929 8.310 -0.038 -0.263 0.502 596 A N 3.745 126.666 122.820 0.169 0.000 2.930 596 A HA -0.242 nan 4.320 nan 0.000 0.273 596 A C 0.113 177.839 177.584 0.237 0.000 1.435 596 A CA 1.209 53.346 52.037 0.167 0.000 0.780 596 A CB -1.613 17.468 19.000 0.135 0.000 1.034 596 A HN 0.652 9.161 8.150 0.133 -0.279 0.562 597 W N -2.178 119.084 121.300 -0.063 0.000 2.630 597 W HA -0.034 nan 4.660 nan 0.000 0.271 597 W C 0.866 177.169 176.519 -0.358 0.000 1.244 597 W CA 1.982 59.225 57.345 -0.170 0.000 1.353 597 W CB 0.410 29.780 29.460 -0.150 0.000 1.080 597 W HN 0.107 8.733 8.180 0.325 -0.250 0.594 598 L N -1.685 119.504 121.223 -0.057 0.000 1.978 598 L HA -0.593 nan 4.340 nan 0.000 0.218 598 L C 2.530 179.167 176.870 -0.389 0.000 1.075 598 L CA 3.818 58.529 54.840 -0.215 0.000 0.767 598 L CB -0.978 41.029 42.059 -0.088 0.000 0.890 598 L HN -0.285 8.289 8.230 0.064 -0.306 0.434 599 T N -5.255 109.103 114.554 -0.326 0.000 2.684 599 T HA -0.360 nan 4.350 nan 0.000 0.267 599 T C 1.982 175.945 174.700 -1.228 0.000 1.036 599 T CA 3.193 64.950 62.100 -0.571 0.000 1.148 599 T CB -0.834 67.993 68.868 -0.068 0.000 0.863 599 T HN 0.194 8.339 8.240 -0.158 0.000 0.436 600 K N 0.369 120.302 120.400 -0.778 0.000 2.520 600 K HA -0.257 nan 4.320 nan 0.000 0.197 600 K C 1.165 176.773 176.600 -1.653 0.000 1.043 600 K CA 2.287 57.975 56.287 -0.999 0.000 0.944 600 K CB -0.509 31.572 32.500 -0.699 0.000 0.770 600 K HN -0.020 7.975 8.250 -0.426 0.000 0.480 601 N N -1.634 116.300 118.700 -1.276 0.000 2.325 601 N HA 0.069 nan 4.740 nan 0.000 0.182 601 N C 0.412 175.420 175.510 -0.836 0.000 1.088 601 N CA 1.150 53.546 53.050 -1.089 0.000 0.879 601 N CB 0.471 38.520 38.487 -0.730 0.000 0.983 601 N HN -0.565 7.087 8.380 -0.980 0.140 0.471 602 M N 0.821 119.823 119.600 -0.996 0.000 2.156 602 M HA -0.166 nan 4.480 nan 0.000 0.264 602 M C 0.016 176.152 176.300 -0.274 0.000 1.067 602 M CA 1.764 56.648 55.300 -0.694 0.000 1.131 602 M CB 0.322 32.522 32.600 -0.667 0.000 1.368 602 M HN -0.016 7.325 8.290 -1.377 0.123 0.416 603 D N -0.194 120.233 120.400 0.046 0.000 4.216 603 D HA -0.170 nan 4.640 nan 0.000 0.187 603 D C -1.869 174.539 176.300 0.180 0.000 1.247 603 D CA 1.108 55.295 54.000 0.312 0.000 0.671 603 D CB -0.684 40.263 40.800 0.244 0.000 1.061 603 D HN 0.188 8.457 8.370 -0.168 0.000 0.511 604 P HA -0.054 nan 4.420 nan 0.000 0.225 604 P C -1.074 176.325 177.300 0.166 0.000 1.768 604 P CA -1.174 62.037 63.100 0.184 0.000 0.943 604 P CB -0.445 31.385 31.700 0.217 0.000 1.936 605 L N 1.078 122.402 121.223 0.169 0.000 2.980 605 L HA -0.332 nan 4.340 nan 0.000 0.297 605 L C -0.103 176.822 176.870 0.092 0.000 1.024 605 L CA 0.427 55.358 54.840 0.151 0.000 1.118 605 L CB -1.769 40.429 42.059 0.232 0.000 1.559 605 L HN 0.004 8.309 8.230 0.178 0.032 0.427 606 N N 3.239 121.951 118.700 0.021 0.000 2.440 606 N HA -0.249 nan 4.740 nan 0.000 0.265 606 N C 0.877 176.348 175.510 -0.064 0.000 1.239 606 N CA 0.918 53.953 53.050 -0.024 0.000 0.909 606 N CB 1.042 39.483 38.487 -0.077 0.000 1.066 606 N HN -0.101 8.284 8.380 0.009 0.000 0.474 607 D N 6.545 126.927 120.400 -0.031 0.000 2.183 607 D HA -0.256 nan 4.640 nan 0.000 0.203 607 D C 1.346 177.602 176.300 -0.073 0.000 0.969 607 D CA 3.173 57.148 54.000 -0.043 0.000 0.842 607 D CB -0.499 40.294 40.800 -0.013 0.000 0.957 607 D HN 0.632 9.000 8.370 -0.004 0.000 0.484 608 N N 0.487 119.146 118.700 -0.067 0.000 2.037 608 N HA -0.376 nan 4.740 nan 0.000 0.196 608 N C 2.240 177.694 175.510 -0.093 0.000 1.034 608 N CA 3.513 56.522 53.050 -0.068 0.000 0.861 608 N CB -0.133 38.317 38.487 -0.061 0.000 1.039 608 N HN -0.350 7.999 8.380 -0.052 0.000 0.427 609 V N -0.535 119.297 119.914 -0.137 0.000 2.283 609 V HA -0.310 nan 4.120 nan 0.000 0.243 609 V C 1.227 177.161 176.094 -0.267 0.000 1.039 609 V CA 4.290 66.491 62.300 -0.164 0.000 1.016 609 V CB -0.419 31.283 31.823 -0.202 0.000 0.650 609 V HN 0.216 8.658 8.190 -0.142 -0.338 0.449 610 T N 1.976 116.304 114.554 -0.378 0.000 2.760 610 T HA -0.423 nan 4.350 nan 0.000 0.269 610 T C 2.466 177.010 174.700 -0.261 0.000 1.047 610 T CA 5.134 66.909 62.100 -0.541 0.000 1.139 610 T CB -0.610 68.035 68.868 -0.372 0.000 0.855 610 T HN 0.104 8.159 8.240 -0.308 0.000 0.471 611 S N 1.587 117.204 115.700 -0.138 0.000 2.406 611 S HA -0.123 nan 4.470 nan 0.000 0.224 611 S C 1.313 175.878 174.600 -0.058 0.000 1.030 611 S CA 3.622 61.786 58.200 -0.060 0.000 0.958 611 S CB -0.044 63.133 63.200 -0.038 0.000 0.811 611 S HN 0.307 8.398 8.310 -0.140 0.135 0.489 612 L N 2.247 123.424 121.223 -0.075 0.000 2.093 612 L HA -0.255 nan 4.340 nan 0.000 0.208 612 L C 0.181 177.018 176.870 -0.055 0.000 1.085 612 L CA 2.760 57.570 54.840 -0.050 0.000 0.755 612 L CB -0.190 41.848 42.059 -0.034 0.000 0.904 612 L HN -0.512 7.566 8.230 -0.097 0.093 0.435 613 L N -5.445 115.705 121.223 -0.121 0.000 2.141 613 L HA -0.296 nan 4.340 nan 0.000 0.209 613 L C 2.783 179.658 176.870 0.007 0.000 1.094 613 L CA 2.428 57.191 54.840 -0.129 0.000 0.763 613 L CB -0.373 41.391 42.059 -0.492 0.000 0.908 613 L HN 0.085 8.209 8.230 -0.176 0.000 0.437 614 N N -0.655 118.051 118.700 0.010 0.000 2.171 614 N HA -0.208 nan 4.740 nan 0.000 0.184 614 N C 1.263 176.816 175.510 0.072 0.000 1.021 614 N CA 2.476 55.583 53.050 0.094 0.000 0.854 614 N CB 0.517 39.049 38.487 0.076 0.000 0.994 614 N HN -0.139 7.984 8.380 -0.058 0.222 0.426 615 Q N -1.473 118.347 119.800 0.034 0.000 2.296 615 Q HA 0.109 nan 4.340 nan 0.000 0.273 615 Q C -1.308 174.704 176.000 0.020 0.000 0.900 615 Q CA -0.788 55.031 55.803 0.027 0.000 0.993 615 Q CB -0.300 28.445 28.738 0.012 0.000 1.132 615 Q HN -0.149 8.024 8.270 0.013 0.105 0.439 616 S N -1.051 114.669 115.700 0.033 0.000 2.592 616 S HA 0.082 nan 4.470 nan 0.000 0.271 616 S C 0.492 175.107 174.600 0.025 0.000 1.326 616 S CA -0.224 57.989 58.200 0.021 0.000 1.024 616 S CB 0.916 64.141 63.200 0.041 0.000 0.921 616 S HN -0.680 7.587 8.310 0.056 0.076 0.527 617 S N 3.207 118.906 115.700 -0.002 0.000 2.387 617 S HA 0.040 nan 4.470 nan 0.000 0.221 617 S C 0.306 174.914 174.600 0.013 0.000 1.041 617 S CA 2.244 60.443 58.200 -0.002 0.000 0.959 617 S CB 0.304 63.487 63.200 -0.029 0.000 0.843 617 S HN 0.118 8.414 8.310 -0.023 0.000 0.488 618 D N 1.362 121.757 120.400 -0.007 0.000 2.377 618 D HA 0.098 nan 4.640 nan 0.000 0.245 618 D C -0.008 176.360 176.300 0.114 0.000 1.196 618 D CA -0.913 53.084 54.000 -0.005 0.000 0.962 618 D CB 1.640 42.346 40.800 -0.157 0.000 1.127 618 D HN -0.776 7.575 8.370 -0.031 0.000 0.471 619 K N -1.377 119.136 120.400 0.188 0.000 2.442 619 K HA -0.256 nan 4.320 nan 0.000 0.200 619 K C 1.587 178.504 176.600 0.529 0.000 1.045 619 K CA 2.083 58.565 56.287 0.326 0.000 0.937 619 K CB -0.445 32.260 32.500 0.342 0.000 0.757 619 K HN 0.410 8.736 8.250 0.127 0.000 0.474 620 F N -1.855 118.212 119.950 0.195 0.000 2.092 620 F HA -0.076 nan 4.527 nan 0.000 0.286 620 F C 1.613 177.574 175.800 0.268 0.000 1.116 620 F CA 1.134 59.312 58.000 0.295 0.000 1.185 620 F CB -0.438 38.528 39.000 -0.058 0.000 1.034 620 F HN -0.533 8.101 8.300 0.485 -0.043 0.479 621 V N -2.817 117.324 119.914 0.378 0.000 2.672 621 V HA -0.180 nan 4.120 nan 0.000 0.242 621 V C 1.563 177.814 176.094 0.262 0.000 1.059 621 V CA 2.179 64.672 62.300 0.322 0.000 1.081 621 V CB -0.345 31.647 31.823 0.282 0.000 0.752 621 V HN -0.627 7.745 8.190 0.303 0.000 0.472 622 A N -1.250 121.687 122.820 0.193 0.000 2.054 622 A HA -0.450 nan 4.320 nan 0.000 0.223 622 A C 0.547 178.222 177.584 0.151 0.000 1.169 622 A CA 3.340 55.472 52.037 0.157 0.000 0.655 622 A CB -0.620 18.448 19.000 0.113 0.000 0.812 622 A HN 0.225 8.480 8.150 0.176 0.000 0.462 623 D N -2.027 118.460 120.400 0.146 0.000 2.087 623 D HA -0.236 nan 4.640 nan 0.000 0.201 623 D C 2.153 178.513 176.300 0.100 0.000 0.980 623 D CA 3.245 57.309 54.000 0.106 0.000 0.849 623 D CB -0.188 40.667 40.800 0.091 0.000 1.001 623 D HN -0.258 8.150 8.370 0.165 0.061 0.452 624 L N -3.850 117.438 121.223 0.108 0.000 2.622 624 L HA 0.028 nan 4.340 nan 0.000 0.233 624 L C 0.716 177.529 176.870 -0.095 0.000 1.156 624 L CA 2.484 57.320 54.840 -0.006 0.000 0.866 624 L CB -0.524 41.516 42.059 -0.033 0.000 0.980 624 L HN -0.393 7.935 8.230 0.164 0.000 0.448 625 W N -1.118 120.220 121.300 0.063 0.000 3.005 625 W HA 0.064 nan 4.660 nan 0.000 0.374 625 W C 0.540 177.085 176.519 0.043 0.000 1.076 625 W CA -0.572 56.805 57.345 0.054 0.000 1.794 625 W CB 0.772 30.269 29.460 0.062 0.000 1.113 625 W HN -0.520 7.794 8.180 0.309 0.052 0.584 626 K N 0.400 120.922 120.400 0.205 0.000 2.574 626 K HA -0.227 nan 4.320 nan 0.000 0.193 626 K C 0.243 176.910 176.600 0.111 0.000 1.035 626 K CA 1.809 58.181 56.287 0.142 0.000 0.982 626 K CB -0.602 31.954 32.500 0.093 0.000 0.795 626 K HN -0.550 7.796 8.250 0.159 0.000 0.491 627 D N -1.356 119.101 120.400 0.095 0.000 2.745 627 D HA -0.127 nan 4.640 nan 0.000 0.229 627 D C -0.221 176.168 176.300 0.148 0.000 1.088 627 D CA -0.579 53.462 54.000 0.068 0.000 1.054 627 D CB -2.225 38.558 40.800 -0.028 0.000 1.132 627 D HN -0.303 8.049 8.370 0.078 0.065 0.464 628 V N -0.606 119.395 119.914 0.145 0.000 2.809 628 V HA -0.210 nan 4.120 nan 0.000 0.256 628 V C 0.867 177.037 176.094 0.127 0.000 1.080 628 V CA 2.088 64.481 62.300 0.155 0.000 1.102 628 V CB 0.353 32.244 31.823 0.113 0.000 0.705 628 V HN -0.314 7.879 8.190 0.114 0.065 0.475 629 D N 0.498 120.960 120.400 0.104 0.000 2.205 629 D HA -0.318 nan 4.640 nan 0.000 0.190 629 D C 2.104 178.493 176.300 0.149 0.000 1.002 629 D CA 3.121 57.181 54.000 0.100 0.000 0.848 629 D CB -0.564 40.284 40.800 0.081 0.000 0.975 629 D HN 0.421 8.818 8.370 0.089 0.025 0.449 630 R N -2.749 117.857 120.500 0.177 0.000 2.316 630 R HA -0.225 nan 4.340 nan 0.000 0.232 630 R C -0.442 176.075 176.300 0.362 0.000 1.137 630 R CA 0.874 57.130 56.100 0.259 0.000 1.012 630 R CB -0.237 30.173 30.300 0.184 0.000 0.859 630 R HN 0.254 8.607 8.270 0.139 0.000 0.474 631 I N -2.958 117.763 120.570 0.252 0.000 2.662 631 I HA 0.044 nan 4.170 nan 0.000 0.291 631 I C 0.656 176.874 176.117 0.168 0.000 1.046 631 I CA -2.898 58.538 61.300 0.228 0.000 1.361 631 I CB 0.624 38.730 38.000 0.175 0.000 1.429 631 I HN -0.970 7.255 8.210 0.191 0.099 0.558 632 V N 5.196 125.217 119.914 0.178 0.000 2.278 632 V HA -0.157 nan 4.120 nan 0.000 0.235 632 V C 0.587 176.668 176.094 -0.022 0.000 1.281 632 V CA 0.974 63.360 62.300 0.145 0.000 1.351 632 V CB -3.117 28.813 31.823 0.180 0.000 1.411 632 V HN 0.010 8.302 8.190 0.169 0.000 0.491 633 G N 3.845 112.539 108.800 -0.175 0.000 3.026 633 G HA2 -0.063 nan 3.960 nan 0.000 0.208 633 G HA3 -0.063 nan 3.960 nan 0.000 0.208 633 G C -1.178 173.615 174.900 -0.177 0.000 1.169 633 G CA 0.749 45.744 45.100 -0.175 0.000 0.788 633 G HN 0.029 8.103 8.290 -0.302 0.035 0.533 657 R N 0.459 121.103 120.500 0.240 0.000 2.854 657 R HA 0.335 nan 4.340 nan 0.000 0.271 657 R C -1.199 175.185 176.300 0.140 0.000 0.996 657 R CA -0.906 55.253 56.100 0.098 0.000 0.961 657 R CB 2.728 33.054 30.300 0.042 0.000 1.182 657 R HN -0.280 8.200 8.270 0.349 0.000 0.479 658 T N -5.334 109.218 114.554 -0.003 0.000 2.780 658 T HA 0.468 nan 4.350 nan 0.000 0.263 658 T C 0.910 175.584 174.700 -0.043 0.000 0.993 658 T CA -1.550 60.487 62.100 -0.105 0.000 1.010 658 T CB 2.429 71.073 68.868 -0.373 0.000 1.642 658 T HN -0.256 7.958 8.240 -0.044 0.000 0.587 659 V N 0.913 120.763 119.914 -0.106 0.000 2.302 659 V HA -0.100 nan 4.120 nan 0.000 0.243 659 V C 1.530 177.690 176.094 0.111 0.000 1.036 659 V CA 3.734 66.043 62.300 0.015 0.000 1.020 659 V CB -0.869 30.904 31.823 -0.082 0.000 0.657 659 V HN 0.339 8.214 8.190 -0.255 0.162 0.453 660 G N -0.781 108.015 108.800 -0.006 0.000 2.628 660 G HA2 -0.463 nan 3.960 nan 0.000 0.217 660 G HA3 -0.463 nan 3.960 nan 0.000 0.217 660 G C 1.051 175.989 174.900 0.063 0.000 1.240 660 G CA 2.462 47.621 45.100 0.098 0.000 0.792 660 G HN 0.082 8.143 8.290 -0.216 0.100 0.593 661 Q N 1.835 121.610 119.800 -0.042 0.000 2.047 661 Q HA -0.362 nan 4.340 nan 0.000 0.211 661 Q C 2.333 178.331 176.000 -0.004 0.000 1.005 661 Q CA 3.080 58.859 55.803 -0.040 0.000 0.866 661 Q CB -0.476 28.214 28.738 -0.080 0.000 0.938 661 Q HN -0.410 7.998 8.270 -0.115 -0.207 0.414 662 L N -1.412 119.833 121.223 0.036 0.000 2.089 662 L HA -0.333 nan 4.340 nan 0.000 0.213 662 L C 1.631 178.540 176.870 0.065 0.000 1.079 662 L CA 3.269 58.150 54.840 0.068 0.000 0.758 662 L CB -0.473 41.659 42.059 0.121 0.000 0.891 662 L HN -0.585 7.480 8.230 0.031 0.183 0.433 663 Y N -1.360 118.997 120.300 0.096 0.000 2.490 663 Y HA -0.157 nan 4.550 nan 0.000 0.285 663 Y C 1.594 177.597 175.900 0.172 0.000 1.117 663 Y CA 1.432 59.612 58.100 0.134 0.000 1.262 663 Y CB 0.047 38.610 38.460 0.172 0.000 1.043 663 Y HN 0.347 8.619 8.280 0.206 0.132 0.553 664 K N 1.096 121.359 120.400 -0.227 0.000 1.985 664 K HA -0.405 nan 4.320 nan 0.000 0.210 664 K C 2.374 178.884 176.600 -0.151 0.000 1.047 664 K CA 3.872 60.088 56.287 -0.118 0.000 0.932 664 K CB -0.203 32.319 32.500 0.036 0.000 0.716 664 K HN 0.193 8.337 8.250 -0.040 0.082 0.439 665 E N -0.347 119.797 120.200 -0.094 0.000 2.130 665 E HA -0.370 nan 4.350 nan 0.000 0.196 665 E C 2.201 178.751 176.600 -0.083 0.000 0.998 665 E CA 3.340 59.696 56.400 -0.073 0.000 0.806 665 E CB -0.549 29.126 29.700 -0.041 0.000 0.738 665 E HN 0.201 8.521 8.360 -0.066 0.000 0.459 666 Q N -0.623 119.120 119.800 -0.095 0.000 2.079 666 Q HA -0.243 nan 4.340 nan 0.000 0.200 666 Q C 2.219 178.180 176.000 -0.065 0.000 0.974 666 Q CA 3.096 58.847 55.803 -0.086 0.000 0.840 666 Q CB 0.032 28.735 28.738 -0.058 0.000 0.898 666 Q HN 0.238 8.330 8.270 -0.099 0.119 0.430 667 L N -2.299 118.847 121.223 -0.128 0.000 2.456 667 L HA -0.187 nan 4.340 nan 0.000 0.224 667 L C 1.623 178.408 176.870 -0.142 0.000 1.148 667 L CA 2.404 57.155 54.840 -0.149 0.000 0.825 667 L CB -0.123 41.718 42.059 -0.362 0.000 0.937 667 L HN -0.469 7.605 8.230 -0.259 0.000 0.450 668 T N 2.145 116.630 114.554 -0.116 0.000 3.031 668 T HA -0.072 nan 4.350 nan 0.000 0.254 668 T C 1.793 176.452 174.700 -0.067 0.000 1.060 668 T CA 3.764 65.816 62.100 -0.081 0.000 1.135 668 T CB -0.417 68.415 68.868 -0.061 0.000 0.896 668 T HN 0.025 8.080 8.240 -0.125 0.110 0.472 669 K N 2.912 123.266 120.400 -0.076 0.000 2.097 669 K HA -0.277 nan 4.320 nan 0.000 0.206 669 K C 1.233 177.769 176.600 -0.106 0.000 1.049 669 K CA 3.302 59.541 56.287 -0.081 0.000 0.933 669 K CB 0.017 32.458 32.500 -0.098 0.000 0.717 669 K HN 0.051 8.067 8.250 -0.082 0.185 0.442 670 L N -0.568 120.571 121.223 -0.139 0.000 1.909 670 L HA -0.277 nan 4.340 nan 0.000 0.216 670 L C 1.852 178.673 176.870 -0.082 0.000 1.097 670 L CA 3.120 57.865 54.840 -0.158 0.000 0.777 670 L CB -0.255 41.704 42.059 -0.167 0.000 0.887 670 L HN -0.079 8.074 8.230 -0.129 0.000 0.432 671 M N -2.561 116.993 119.600 -0.077 0.000 2.146 671 M HA -0.433 nan 4.480 nan 0.000 0.256 671 M C 2.511 178.796 176.300 -0.026 0.000 1.075 671 M CA 3.160 58.430 55.300 -0.049 0.000 1.082 671 M CB -0.488 32.072 32.600 -0.066 0.000 1.355 671 M HN 0.169 8.293 8.290 -0.098 0.107 0.402 672 T N -0.502 114.037 114.554 -0.026 0.000 3.057 672 T HA 0.094 nan 4.350 nan 0.000 0.254 672 T C 1.715 176.420 174.700 0.009 0.000 1.094 672 T CA 3.491 65.586 62.100 -0.009 0.000 1.088 672 T CB -0.088 68.773 68.868 -0.012 0.000 0.934 672 T HN 0.275 8.346 8.240 -0.038 0.147 0.497 673 T N -0.184 114.376 114.554 0.010 0.000 3.035 673 T HA 0.033 nan 4.350 nan 0.000 0.259 673 T C 1.195 175.936 174.700 0.069 0.000 1.078 673 T CA 2.316 64.443 62.100 0.045 0.000 1.132 673 T CB -0.681 68.214 68.868 0.044 0.000 0.900 673 T HN -0.279 7.955 8.240 -0.010 0.000 0.480 674 L N 0.646 121.894 121.223 0.042 0.000 2.012 674 L HA -0.348 nan 4.340 nan 0.000 0.210 674 L C 2.396 179.278 176.870 0.020 0.000 1.073 674 L CA 3.296 58.156 54.840 0.034 0.000 0.748 674 L CB -0.416 41.648 42.059 0.009 0.000 0.891 674 L HN 0.190 8.326 8.230 0.017 0.104 0.431 675 R N -1.435 119.077 120.500 0.020 0.000 2.133 675 R HA -0.357 nan 4.340 nan 0.000 0.247 675 R C 0.837 177.154 176.300 0.029 0.000 1.151 675 R CA 2.902 59.016 56.100 0.024 0.000 0.971 675 R CB -0.189 30.123 30.300 0.019 0.000 0.866 675 R HN -0.005 8.157 8.270 0.014 0.116 0.447 676 N N -2.806 115.918 118.700 0.041 0.000 2.558 676 N HA 0.211 nan 4.740 nan 0.000 0.281 676 N C -1.380 174.167 175.510 0.062 0.000 1.219 676 N CA -0.107 52.973 53.050 0.049 0.000 0.942 676 N CB 0.648 39.171 38.487 0.060 0.000 1.241 676 N HN -0.363 7.911 8.380 0.045 0.133 0.511 677 T N -6.099 108.480 114.554 0.042 0.000 2.696 677 T HA 0.302 nan 4.350 nan 0.000 0.291 677 T C -2.030 172.661 174.700 -0.015 0.000 1.095 677 T CA -1.647 60.467 62.100 0.023 0.000 1.026 677 T CB 3.029 71.942 68.868 0.075 0.000 1.390 677 T HN -0.258 7.835 8.240 0.028 0.163 0.513 678 N N 1.353 120.032 118.700 -0.034 0.000 2.437 678 N HA 0.331 nan 4.740 nan 0.000 0.243 678 N C -1.426 174.019 175.510 -0.108 0.000 1.041 678 N CA -2.766 50.255 53.050 -0.048 0.000 0.940 678 N CB 1.124 39.594 38.487 -0.029 0.000 1.133 678 N HN 0.099 8.457 8.380 -0.037 0.000 0.506 679 P HA -0.007 nan 4.420 nan 0.000 0.256 679 P C -1.530 175.482 177.300 -0.481 0.000 1.688 679 P CA -0.518 62.280 63.100 -0.503 0.000 1.162 679 P CB -1.528 29.733 31.700 -0.732 0.000 1.870 680 N N 3.305 121.864 118.700 -0.236 0.000 2.406 680 N HA -0.090 nan 4.740 nan 0.000 0.265 680 N C -1.564 173.899 175.510 -0.078 0.000 1.203 680 N CA 0.891 53.901 53.050 -0.066 0.000 0.945 680 N CB 0.583 39.071 38.487 0.002 0.000 1.165 680 N HN -0.180 8.047 8.380 -0.181 0.045 0.485 681 F N 2.558 122.567 119.950 0.099 0.000 2.408 681 F HA 0.262 nan 4.527 nan 0.000 0.344 681 F C -0.015 175.827 175.800 0.069 0.000 1.112 681 F CA -0.747 57.292 58.000 0.065 0.000 1.096 681 F CB 1.221 40.241 39.000 0.034 0.000 1.129 681 F HN -0.335 8.130 8.300 0.275 0.000 0.486 682 V N 6.200 126.257 119.914 0.237 0.000 2.239 682 V HA 0.138 nan 4.120 nan 0.000 0.267 682 V C -0.824 175.312 176.094 0.069 0.000 1.056 682 V CA -1.057 61.326 62.300 0.138 0.000 0.830 682 V CB -0.525 31.356 31.823 0.097 0.000 1.090 682 V HN 0.986 9.213 8.190 0.247 0.111 0.459 683 R N 5.009 125.545 120.500 0.060 0.000 2.325 683 R HA 0.236 nan 4.340 nan 0.000 0.323 683 R C -0.823 175.431 176.300 -0.076 0.000 1.177 683 R CA -1.144 54.938 56.100 -0.030 0.000 1.018 683 R CB -1.094 29.183 30.300 -0.038 0.000 1.070 683 R HN -0.241 8.098 8.270 0.115 0.000 0.495 684 C N 4.858 124.095 119.300 -0.105 0.000 2.527 684 C HA 0.366 nan 4.460 nan 0.000 0.396 684 C C -0.448 174.439 174.990 -0.173 0.000 1.289 684 C CA 0.279 59.205 59.018 -0.154 0.000 2.047 684 C CB -0.259 27.394 27.740 -0.145 0.000 2.568 684 C HN 0.281 8.460 8.230 -0.086 0.000 0.573 685 I N 3.880 124.324 120.570 -0.210 0.000 2.466 685 I HA 0.260 nan 4.170 nan 0.000 0.289 685 I C -1.523 174.441 176.117 -0.255 0.000 1.026 685 I CA -2.459 58.712 61.300 -0.216 0.000 1.078 685 I CB 2.316 40.198 38.000 -0.196 0.000 1.249 685 I HN 0.744 8.730 8.210 -0.241 0.079 0.429 686 I N 8.561 128.989 120.570 -0.236 0.000 2.416 686 I HA 0.061 nan 4.170 nan 0.000 0.288 686 I C -1.235 174.727 176.117 -0.258 0.000 1.051 686 I CA -3.128 58.032 61.300 -0.234 0.000 1.375 686 I CB -0.561 37.326 38.000 -0.189 0.000 1.407 686 I HN -0.171 8.178 8.210 -0.223 -0.273 0.516 687 P HA 0.056 nan 4.420 nan 0.000 0.217 687 P C -1.724 175.478 177.300 -0.163 0.000 1.154 687 P CA 1.394 64.321 63.100 -0.289 0.000 0.841 687 P CB 0.920 32.334 31.700 -0.476 0.000 0.790 688 N N -3.260 115.389 118.700 -0.085 0.000 2.357 688 N HA 0.106 nan 4.740 nan 0.000 0.284 688 N C -0.736 174.753 175.510 -0.036 0.000 1.236 688 N CA -1.208 51.807 53.050 -0.059 0.000 0.774 688 N CB 2.201 40.683 38.487 -0.009 0.000 1.534 688 N HN -0.548 7.823 8.380 -0.015 0.000 0.478 689 H N -1.178 117.892 119.070 -0.001 0.000 2.524 689 H HA 0.042 nan 4.556 nan 0.000 0.280 689 H C -0.089 175.220 175.328 -0.033 0.000 1.018 689 H CA 0.571 56.617 56.048 -0.003 0.000 1.165 689 H CB 0.035 29.794 29.762 -0.006 0.000 1.411 689 H HN 0.338 8.623 8.280 0.009 0.000 0.569 690 E N -0.885 119.337 120.200 0.037 0.000 2.499 690 E HA 0.069 nan 4.350 nan 0.000 0.199 690 E C -0.916 175.603 176.600 -0.136 0.000 1.016 690 E CA -1.087 55.294 56.400 -0.033 0.000 0.933 690 E CB 0.257 29.943 29.700 -0.023 0.000 1.050 690 E HN -0.466 8.065 8.360 0.015 -0.162 0.462 691 K N -4.189 116.078 120.400 -0.221 0.000 3.349 691 K HA -0.369 nan 4.320 nan 0.000 0.310 691 K C -0.439 175.678 176.600 -0.805 0.000 1.267 691 K CA 1.419 57.401 56.287 -0.508 0.000 0.920 691 K CB -2.026 30.316 32.500 -0.262 0.000 1.240 691 K HN -0.257 7.888 8.250 -0.116 0.035 0.453 692 R N -1.141 119.027 120.500 -0.554 0.000 2.532 692 R HA 0.023 nan 4.340 nan 0.000 0.272 692 R C -0.798 175.360 176.300 -0.237 0.000 1.032 692 R CA -0.780 55.133 56.100 -0.311 0.000 1.089 692 R CB 1.210 31.440 30.300 -0.116 0.000 1.098 692 R HN -0.321 8.063 8.270 -0.438 -0.377 0.526 693 A N -0.531 122.241 122.820 -0.080 0.000 2.371 693 A HA 0.070 nan 4.320 nan 0.000 0.257 693 A C 0.799 178.441 177.584 0.097 0.000 1.089 693 A CA 0.115 52.184 52.037 0.053 0.000 0.794 693 A CB 0.373 19.398 19.000 0.042 0.000 1.029 693 A HN 0.012 8.109 8.150 -0.088 0.000 0.488 694 G N 3.200 112.101 108.800 0.167 0.000 3.329 694 G HA2 -0.515 nan 3.960 nan 0.000 0.220 694 G HA3 -0.515 nan 3.960 nan 0.000 0.220 694 G C -0.027 175.046 174.900 0.287 0.000 1.358 694 G CA 0.562 45.792 45.100 0.217 0.000 0.856 694 G HN 0.407 8.820 8.290 0.205 0.000 0.551 695 K N 5.077 125.600 120.400 0.205 0.000 2.319 695 K HA -0.183 nan 4.320 nan 0.000 0.277 695 K C -1.204 175.457 176.600 0.101 0.000 1.111 695 K CA 0.012 56.407 56.287 0.182 0.000 1.093 695 K CB -0.053 32.502 32.500 0.091 0.000 0.910 695 K HN -0.175 8.067 8.250 0.142 0.094 0.452 696 L N 5.635 126.956 121.223 0.163 0.000 2.357 696 L HA 0.129 nan 4.340 nan 0.000 0.273 696 L C -0.920 176.003 176.870 0.087 0.000 1.080 696 L CA -0.553 54.301 54.840 0.023 0.000 0.803 696 L CB 1.710 43.791 42.059 0.037 0.000 1.174 696 L HN -0.285 8.173 8.230 0.380 0.000 0.443 697 D N 3.618 124.024 120.400 0.009 0.000 2.549 697 D HA 0.209 nan 4.640 nan 0.000 0.251 697 D C -0.402 175.908 176.300 0.017 0.000 1.153 697 D CA -1.319 52.705 54.000 0.039 0.000 0.861 697 D CB 2.619 43.434 40.800 0.025 0.000 1.207 697 D HN 0.245 8.483 8.370 -0.062 0.094 0.543 698 A N 6.707 129.556 122.820 0.048 0.000 2.015 698 A HA -0.191 nan 4.320 nan 0.000 0.219 698 A C 1.557 179.133 177.584 -0.014 0.000 1.163 698 A CA 2.640 54.685 52.037 0.013 0.000 0.646 698 A CB -0.050 18.965 19.000 0.026 0.000 0.806 698 A HN 0.723 8.921 8.150 0.080 0.000 0.448 699 H N -0.308 118.772 119.070 0.016 0.000 2.448 699 H HA -0.188 nan 4.556 nan 0.000 0.292 699 H C 2.123 177.433 175.328 -0.031 0.000 1.035 699 H CA 2.597 58.647 56.048 0.003 0.000 1.349 699 H CB 0.345 30.113 29.762 0.009 0.000 1.425 699 H HN -0.167 8.455 8.280 0.118 -0.271 0.539 700 L N -0.311 120.958 121.223 0.078 0.000 2.012 700 L HA -0.381 nan 4.340 nan 0.000 0.210 700 L C 1.446 178.275 176.870 -0.068 0.000 1.073 700 L CA 3.234 58.054 54.840 -0.033 0.000 0.748 700 L CB -0.100 41.896 42.059 -0.106 0.000 0.891 700 L HN -0.249 8.386 8.230 0.082 -0.356 0.431 701 V N -0.400 119.473 119.914 -0.068 0.000 2.261 701 V HA -0.431 nan 4.120 nan 0.000 0.246 701 V C 2.090 178.154 176.094 -0.050 0.000 1.047 701 V CA 4.314 66.560 62.300 -0.089 0.000 1.015 701 V CB -0.640 31.124 31.823 -0.098 0.000 0.642 701 V HN -0.021 8.138 8.190 -0.051 0.000 0.446 702 L N -1.518 119.704 121.223 -0.003 0.000 2.187 702 L HA -0.359 nan 4.340 nan 0.000 0.213 702 L C 1.708 178.614 176.870 0.060 0.000 1.100 702 L CA 3.160 58.021 54.840 0.035 0.000 0.765 702 L CB -0.613 41.470 42.059 0.040 0.000 0.904 702 L HN -0.147 7.963 8.230 -0.002 0.119 0.437 703 E N -0.740 119.492 120.200 0.054 0.000 2.015 703 E HA -0.403 nan 4.350 nan 0.000 0.191 703 E C 2.269 178.823 176.600 -0.078 0.000 0.991 703 E CA 3.517 59.914 56.400 -0.005 0.000 0.802 703 E CB -0.390 29.291 29.700 -0.031 0.000 0.759 703 E HN 0.096 8.293 8.360 0.070 0.206 0.447 704 Q N -0.995 118.728 119.800 -0.129 0.000 2.439 704 Q HA -0.237 nan 4.340 nan 0.000 0.211 704 Q C 3.070 178.992 176.000 -0.131 0.000 0.978 704 Q CA 2.597 58.285 55.803 -0.191 0.000 0.897 704 Q CB -0.166 28.440 28.738 -0.221 0.000 0.956 704 Q HN -0.240 7.957 8.270 -0.121 0.000 0.483 705 L N -0.264 120.918 121.223 -0.068 0.000 2.068 705 L HA -0.310 nan 4.340 nan 0.000 0.204 705 L C 1.703 178.572 176.870 -0.001 0.000 1.076 705 L CA 3.175 58.000 54.840 -0.025 0.000 0.753 705 L CB -0.579 41.480 42.059 0.000 0.000 0.910 705 L HN 0.514 8.569 8.230 -0.056 0.140 0.439 706 R N -1.262 119.242 120.500 0.008 0.000 2.081 706 R HA -0.321 nan 4.340 nan 0.000 0.235 706 R C 2.308 178.631 176.300 0.039 0.000 1.131 706 R CA 3.279 59.397 56.100 0.030 0.000 0.960 706 R CB -0.209 30.114 30.300 0.038 0.000 0.856 706 R HN -0.401 7.873 8.270 0.006 0.000 0.436 707 C N -1.324 117.970 119.300 -0.011 0.000 2.440 707 C HA -0.189 nan 4.460 nan 0.000 0.282 707 C C 1.703 176.789 174.990 0.159 0.000 1.223 707 C CA 1.629 60.648 59.018 0.002 0.000 1.744 707 C CB -0.608 26.931 27.740 -0.335 0.000 2.061 707 C HN 0.247 8.445 8.230 -0.053 0.000 0.456 708 N N 0.701 119.393 118.700 -0.012 0.000 2.513 708 N HA -0.234 nan 4.740 nan 0.000 0.187 708 N C 0.674 176.090 175.510 -0.158 0.000 1.056 708 N CA 1.952 54.932 53.050 -0.116 0.000 0.907 708 N CB 0.241 38.580 38.487 -0.247 0.000 0.954 708 N HN -0.070 8.130 8.380 -0.114 0.111 0.445 709 G N -2.509 106.303 108.800 0.020 0.000 2.198 709 G HA2 -0.445 nan 3.960 nan 0.000 0.257 709 G HA3 -0.445 nan 3.960 nan 0.000 0.257 709 G C 0.532 175.538 174.900 0.177 0.000 1.042 709 G CA 0.836 46.019 45.100 0.139 0.000 0.791 709 G HN -0.397 7.747 8.290 0.032 0.166 0.502 710 V N 1.480 121.456 119.914 0.103 0.000 2.270 710 V HA -0.412 nan 4.120 nan 0.000 0.245 710 V C 1.169 177.454 176.094 0.319 0.000 1.043 710 V CA 4.682 67.141 62.300 0.266 0.000 1.014 710 V CB -0.290 31.661 31.823 0.213 0.000 0.645 710 V HN 0.247 8.471 8.190 0.057 0.000 0.447 711 L N -3.311 118.016 121.223 0.174 0.000 2.191 711 L HA -0.301 nan 4.340 nan 0.000 0.212 711 L C 2.698 179.660 176.870 0.152 0.000 1.103 711 L CA 3.106 58.021 54.840 0.125 0.000 0.769 711 L CB -1.625 40.472 42.059 0.064 0.000 0.908 711 L HN 0.225 8.532 8.230 0.129 0.000 0.438 712 E N -1.517 118.781 120.200 0.164 0.000 2.251 712 E HA -0.067 nan 4.350 nan 0.000 0.194 712 E C 2.449 179.180 176.600 0.218 0.000 0.964 712 E CA 2.574 59.033 56.400 0.100 0.000 0.868 712 E CB -0.731 28.898 29.700 -0.119 0.000 0.828 712 E HN -0.164 8.248 8.360 0.161 0.045 0.481 713 G N 0.779 109.852 108.800 0.456 0.000 2.450 713 G HA2 -0.243 nan 3.960 nan 0.000 0.220 713 G HA3 -0.243 nan 3.960 nan 0.000 0.220 713 G C 1.013 176.193 174.900 0.466 0.000 1.130 713 G CA 2.154 47.563 45.100 0.514 0.000 0.760 713 G HN 0.059 8.556 8.290 0.446 0.061 0.557 714 I N 0.626 121.424 120.570 0.380 0.000 2.333 714 I HA -0.393 nan 4.170 nan 0.000 0.246 714 I C 1.495 177.675 176.117 0.106 0.000 1.106 714 I CA 3.240 64.629 61.300 0.149 0.000 1.411 714 I CB -0.170 37.864 38.000 0.056 0.000 1.082 714 I HN 0.329 8.789 8.210 0.424 0.004 0.420 715 R N -0.725 119.864 120.500 0.149 0.000 2.127 715 R HA -0.318 nan 4.340 nan 0.000 0.238 715 R C 2.859 179.299 176.300 0.234 0.000 1.134 715 R CA 3.297 59.517 56.100 0.199 0.000 0.975 715 R CB -0.185 30.321 30.300 0.344 0.000 0.865 715 R HN -0.430 7.766 8.270 0.170 0.176 0.447 716 I N 0.292 120.948 120.570 0.143 0.000 2.130 716 I HA -0.307 nan 4.170 nan 0.000 0.234 716 I C 1.319 177.445 176.117 0.016 0.000 1.067 716 I CA 2.689 64.066 61.300 0.128 0.000 1.339 716 I CB 0.248 38.231 38.000 -0.027 0.000 1.073 716 I HN -0.014 8.223 8.210 0.045 0.000 0.405 717 C N -1.507 117.791 119.300 -0.004 0.000 2.402 717 C HA -0.345 nan 4.460 nan 0.000 0.301 717 C C 1.079 176.023 174.990 -0.077 0.000 1.455 717 C CA 2.212 61.214 59.018 -0.027 0.000 1.787 717 C CB -2.456 25.295 27.740 0.018 0.000 1.726 717 C HN -0.291 7.940 8.230 0.002 0.000 0.565 718 R N -1.717 118.736 120.500 -0.078 0.000 2.075 718 R HA -0.198 nan 4.340 nan 0.000 0.226 718 R C 1.459 177.626 176.300 -0.222 0.000 1.114 718 R CA 2.156 58.180 56.100 -0.126 0.000 0.972 718 R CB -0.610 29.636 30.300 -0.091 0.000 0.869 718 R HN -0.226 7.996 8.270 -0.029 0.031 0.437 719 Q N -1.322 118.324 119.800 -0.257 0.000 1.916 719 Q HA -0.130 nan 4.340 nan 0.000 0.203 719 Q C 1.598 177.210 176.000 -0.647 0.000 0.983 719 Q CA 1.988 57.487 55.803 -0.505 0.000 0.846 719 Q CB 0.289 28.599 28.738 -0.713 0.000 0.909 719 Q HN -0.135 7.944 8.270 -0.158 0.096 0.427 720 G N -4.108 104.375 108.800 -0.528 0.000 3.152 720 G HA2 0.062 nan 3.960 nan 0.000 0.157 720 G HA3 0.062 nan 3.960 nan 0.000 0.157 720 G C -1.391 173.210 174.900 -0.500 0.000 1.786 720 G CA -0.110 44.695 45.100 -0.492 0.000 1.055 720 G HN -0.541 7.548 8.290 -0.334 0.000 0.528 721 F N -3.848 116.110 119.950 0.014 0.000 3.287 721 F HA 0.402 nan 4.527 nan 0.000 0.379 721 F C -2.249 173.682 175.800 0.219 0.000 1.268 721 F CA -1.886 56.181 58.000 0.111 0.000 1.220 721 F CB 1.660 40.746 39.000 0.143 0.000 1.687 721 F HN 0.048 8.539 8.300 0.319 0.000 0.648 722 P HA -0.241 nan 4.420 nan 0.000 0.214 722 P C -0.295 177.180 177.300 0.292 0.000 1.163 722 P CA 1.625 64.864 63.100 0.231 0.000 0.889 722 P CB 0.228 32.020 31.700 0.153 0.000 0.790 723 N N -1.994 116.914 118.700 0.348 0.000 2.327 723 N HA -0.005 nan 4.740 nan 0.000 0.257 723 N C -1.570 174.166 175.510 0.377 0.000 1.281 723 N CA 0.828 54.078 53.050 0.334 0.000 0.942 723 N CB 1.342 40.056 38.487 0.378 0.000 1.199 723 N HN -0.105 8.507 8.380 0.387 0.000 0.532 724 R N -5.257 115.394 120.500 0.253 0.000 3.008 724 R HA 0.359 nan 4.340 nan 0.000 0.284 724 R C -2.281 174.021 176.300 0.003 0.000 1.187 724 R CA -0.433 55.703 56.100 0.060 0.000 1.139 724 R CB 0.897 31.157 30.300 -0.066 0.000 1.273 724 R HN 0.190 8.602 8.270 0.237 0.000 0.410 725 I N 1.753 122.302 120.570 -0.035 0.000 3.334 725 I HA 0.634 nan 4.170 nan 0.000 0.316 725 I C -2.866 173.203 176.117 -0.079 0.000 1.251 725 I CA -1.658 59.639 61.300 -0.006 0.000 0.929 725 I CB 4.663 42.753 38.000 0.149 0.000 1.317 725 I HN 0.662 8.805 8.210 -0.110 0.000 0.479 726 V N 0.050 119.916 119.914 -0.080 0.000 3.488 726 V HA 0.286 nan 4.120 nan 0.000 0.291 726 V C -0.719 175.345 176.094 -0.050 0.000 1.163 726 V CA -1.448 60.722 62.300 -0.216 0.000 0.971 726 V CB 2.154 33.795 31.823 -0.303 0.000 1.245 726 V HN 0.449 8.880 8.190 -0.029 -0.259 0.456 727 F N -3.948 115.973 119.950 -0.049 0.000 2.660 727 F HA 0.385 nan 4.527 nan 0.000 0.302 727 F C 1.364 177.209 175.800 0.075 0.000 1.103 727 F CA -2.101 55.899 58.000 0.001 0.000 1.340 727 F CB -1.232 37.735 39.000 -0.056 0.000 1.048 727 F HN 0.212 8.029 8.300 -0.804 0.000 0.551 728 Q N 0.795 120.653 119.800 0.097 0.000 2.302 728 Q HA -0.145 nan 4.340 nan 0.000 0.202 728 Q C 1.686 177.705 176.000 0.032 0.000 0.936 728 Q CA 2.869 58.704 55.803 0.053 0.000 0.886 728 Q CB -1.120 27.602 28.738 -0.027 0.000 0.986 728 Q HN -0.020 8.201 8.270 0.023 0.064 0.487 729 E N -0.374 119.866 120.200 0.067 0.000 2.219 729 E HA -0.321 nan 4.350 nan 0.000 0.198 729 E C 2.120 178.742 176.600 0.037 0.000 0.998 729 E CA 3.134 59.564 56.400 0.050 0.000 0.818 729 E CB -1.024 28.791 29.700 0.192 0.000 0.741 729 E HN 0.403 8.810 8.360 0.078 0.000 0.477 730 F N -0.005 120.060 119.950 0.191 0.000 2.049 730 F HA -0.226 nan 4.527 nan 0.000 0.288 730 F C 1.237 177.058 175.800 0.035 0.000 1.141 730 F CA 3.433 61.597 58.000 0.274 0.000 1.165 730 F CB 0.246 39.418 39.000 0.286 0.000 1.012 730 F HN -0.558 7.878 8.300 0.408 0.109 0.475 731 R N -2.378 118.256 120.500 0.223 0.000 2.133 731 R HA -0.463 nan 4.340 nan 0.000 0.247 731 R C 1.928 178.185 176.300 -0.072 0.000 1.151 731 R CA 2.663 58.835 56.100 0.120 0.000 0.971 731 R CB -0.216 30.150 30.300 0.110 0.000 0.866 731 R HN -0.753 7.690 8.270 0.287 0.000 0.447 732 Q N -2.403 117.285 119.800 -0.186 0.000 1.990 732 Q HA -0.172 nan 4.340 nan 0.000 0.195 732 Q C 2.436 178.225 176.000 -0.353 0.000 0.977 732 Q CA 2.911 58.584 55.803 -0.216 0.000 0.828 732 Q CB -0.344 28.287 28.738 -0.179 0.000 0.896 732 Q HN -0.273 7.896 8.270 -0.170 0.000 0.447 733 R N -1.310 118.841 120.500 -0.581 0.000 2.261 733 R HA -0.318 nan 4.340 nan 0.000 0.236 733 R C 0.848 176.750 176.300 -0.665 0.000 1.141 733 R CA 2.404 58.112 56.100 -0.654 0.000 1.001 733 R CB -0.175 29.656 30.300 -0.781 0.000 0.866 733 R HN 0.329 8.250 8.270 -0.582 0.000 0.468 734 Y N -8.467 111.733 120.300 -0.167 0.000 2.588 734 Y HA 0.230 nan 4.550 nan 0.000 0.247 734 Y C -0.114 175.749 175.900 -0.061 0.000 1.157 734 Y CA -2.478 55.533 58.100 -0.149 0.000 1.215 734 Y CB -0.401 37.905 38.460 -0.257 0.000 1.245 734 Y HN -0.780 6.939 8.280 -0.802 0.080 0.534 735 E N 2.365 122.558 120.200 -0.011 0.000 2.085 735 E HA -0.357 nan 4.350 nan 0.000 0.194 735 E C 2.033 178.655 176.600 0.037 0.000 0.994 735 E CA 3.252 59.673 56.400 0.035 0.000 0.801 735 E CB -0.527 29.178 29.700 0.009 0.000 0.743 735 E HN -0.271 8.028 8.360 -0.102 0.000 0.453 736 I N -0.523 120.053 120.570 0.009 0.000 2.181 736 I HA -0.443 nan 4.170 nan 0.000 0.247 736 I C 1.500 177.636 176.117 0.032 0.000 1.081 736 I CA 2.987 64.293 61.300 0.011 0.000 1.340 736 I CB 0.050 38.043 38.000 -0.011 0.000 1.036 736 I HN -0.062 8.137 8.210 -0.018 0.000 0.417 737 L N -3.238 118.019 121.223 0.058 0.000 2.127 737 L HA -0.270 nan 4.340 nan 0.000 0.211 737 L C -0.300 176.606 176.870 0.060 0.000 1.089 737 L CA 1.804 56.681 54.840 0.061 0.000 0.757 737 L CB 0.215 42.322 42.059 0.081 0.000 0.899 737 L HN -0.748 7.398 8.230 0.075 0.129 0.434 738 A N -4.859 118.006 122.820 0.075 0.000 3.156 738 A HA 0.315 nan 4.320 nan 0.000 0.311 738 A C -0.392 177.231 177.584 0.065 0.000 1.129 738 A CA -0.806 51.274 52.037 0.072 0.000 0.809 738 A CB 0.819 19.876 19.000 0.095 0.000 1.257 738 A HN -0.625 7.433 8.150 0.082 0.142 0.491 739 A N 3.004 125.853 122.820 0.048 0.000 2.093 739 A HA -0.304 nan 4.320 nan 0.000 0.222 739 A C 0.084 177.694 177.584 0.044 0.000 1.162 739 A CA 2.571 54.632 52.037 0.041 0.000 0.655 739 A CB -0.642 18.376 19.000 0.030 0.000 0.805 739 A HN 0.855 9.030 8.150 0.042 0.000 0.461 740 N N -2.519 116.209 118.700 0.046 0.000 2.373 740 N HA -0.074 nan 4.740 nan 0.000 0.181 740 N C 0.555 176.095 175.510 0.050 0.000 1.082 740 N CA 0.235 53.310 53.050 0.043 0.000 0.885 740 N CB 0.310 38.819 38.487 0.037 0.000 0.977 740 N HN 0.079 8.412 8.380 0.049 0.077 0.462 741 A N 1.403 124.261 122.820 0.063 0.000 1.841 741 A HA -0.182 nan 4.320 nan 0.000 0.216 741 A C 0.230 177.855 177.584 0.069 0.000 1.199 741 A CA 2.310 54.391 52.037 0.072 0.000 0.621 741 A CB 0.352 19.413 19.000 0.101 0.000 0.835 741 A HN -0.248 7.878 8.150 0.068 0.064 0.445 742 I N -0.183 120.435 120.570 0.080 0.000 2.379 742 I HA 0.072 nan 4.170 nan 0.000 0.290 742 I C -1.875 174.284 176.117 0.070 0.000 1.063 742 I CA -1.496 59.853 61.300 0.081 0.000 1.351 742 I CB 0.115 38.182 38.000 0.111 0.000 1.410 742 I HN -0.451 7.972 8.210 0.090 -0.160 0.505 743 P HA 0.187 nan 4.420 nan 0.000 0.338 743 P C -1.217 176.099 177.300 0.027 0.000 1.308 743 P CA -1.296 61.825 63.100 0.034 0.000 0.753 743 P CB 1.047 32.757 31.700 0.017 0.000 1.579 744 K N 0.926 121.328 120.400 0.003 0.000 2.319 744 K HA -0.281 nan 4.320 nan 0.000 0.277 744 K C -0.359 176.174 176.600 -0.111 0.000 1.111 744 K CA 0.798 57.070 56.287 -0.026 0.000 1.093 744 K CB -0.792 31.692 32.500 -0.027 0.000 0.910 744 K HN 0.181 8.433 8.250 0.003 0.000 0.452 745 G N 4.541 113.213 108.800 -0.213 0.000 2.525 745 G HA2 -0.230 nan 3.960 nan 0.000 0.685 745 G HA3 -0.230 nan 3.960 nan 0.000 0.685 745 G C -2.328 172.256 174.900 -0.526 0.000 1.285 745 G CA -0.775 43.989 45.100 -0.559 0.000 0.849 745 G HN -0.177 8.063 8.290 -0.084 0.000 0.653 746 F N -1.590 118.365 119.950 0.010 0.000 2.631 746 F HA 0.922 nan 4.527 nan 0.000 0.308 746 F C -0.685 175.121 175.800 0.010 0.000 1.097 746 F CA -1.321 56.686 58.000 0.012 0.000 0.952 746 F CB 1.923 40.931 39.000 0.013 0.000 1.307 746 F HN 0.436 7.772 8.300 -1.607 0.000 0.450 747 M N 0.145 119.857 119.600 0.187 0.000 2.514 747 M HA 0.335 nan 4.480 nan 0.000 0.333 747 M C -1.565 174.809 176.300 0.122 0.000 1.663 747 M CA -0.429 54.937 55.300 0.110 0.000 1.388 747 M CB 1.272 33.899 32.600 0.045 0.000 2.264 747 M HN 0.358 8.785 8.290 0.228 0.000 0.796 748 D N 0.957 121.405 120.400 0.081 0.000 2.362 748 D HA 0.028 nan 4.640 nan 0.000 0.242 748 D C 1.038 177.394 176.300 0.094 0.000 1.132 748 D CA -0.242 53.806 54.000 0.080 0.000 0.907 748 D CB 1.623 42.460 40.800 0.061 0.000 1.195 748 D HN 0.014 8.419 8.370 0.060 0.000 0.429 749 G N 2.454 111.325 108.800 0.118 0.000 2.408 749 G HA2 -0.305 nan 3.960 nan 0.000 0.217 749 G HA3 -0.305 nan 3.960 nan 0.000 0.217 749 G C 1.097 176.112 174.900 0.191 0.000 1.150 749 G CA 1.452 46.642 45.100 0.150 0.000 0.776 749 G HN 0.366 8.723 8.290 0.111 0.000 0.542 750 K N 1.444 121.974 120.400 0.216 0.000 1.969 750 K HA -0.368 nan 4.320 nan 0.000 0.216 750 K C 1.324 177.851 176.600 -0.122 0.000 1.048 750 K CA 3.485 59.740 56.287 -0.052 0.000 0.948 750 K CB -0.133 32.301 32.500 -0.111 0.000 0.726 750 K HN -0.303 8.387 8.250 0.246 -0.292 0.442 751 Q N -0.612 119.150 119.800 -0.063 0.000 2.077 751 Q HA -0.336 nan 4.340 nan 0.000 0.206 751 Q C 2.342 178.327 176.000 -0.025 0.000 0.989 751 Q CA 3.029 58.800 55.803 -0.054 0.000 0.853 751 Q CB -0.039 28.686 28.738 -0.022 0.000 0.907 751 Q HN -0.585 7.970 8.270 -0.027 -0.301 0.418 752 A N -2.214 120.621 122.820 0.025 0.000 1.908 752 A HA -0.334 nan 4.320 nan 0.000 0.218 752 A C 1.731 179.346 177.584 0.051 0.000 1.181 752 A CA 3.188 55.258 52.037 0.056 0.000 0.627 752 A CB -0.683 18.378 19.000 0.101 0.000 0.818 752 A HN 0.447 8.623 8.150 0.043 0.000 0.445 753 C N -3.811 115.513 119.300 0.041 0.000 2.440 753 C HA -0.232 nan 4.460 nan 0.000 0.278 753 C C 1.970 176.880 174.990 -0.133 0.000 1.295 753 C CA 1.859 60.903 59.018 0.044 0.000 1.738 753 C CB -1.587 26.209 27.740 0.093 0.000 1.987 753 C HN -0.239 7.908 8.230 0.043 0.109 0.492 754 I N 2.161 122.610 120.570 -0.201 0.000 2.315 754 I HA -0.518 nan 4.170 nan 0.000 0.251 754 I C 1.590 177.648 176.117 -0.098 0.000 1.125 754 I CA 3.771 64.943 61.300 -0.214 0.000 1.392 754 I CB -0.639 37.242 38.000 -0.199 0.000 1.065 754 I HN 0.217 8.321 8.210 -0.176 0.000 0.424 755 L N -0.148 121.055 121.223 -0.034 0.000 1.943 755 L HA -0.467 nan 4.340 nan 0.000 0.215 755 L C 1.865 178.761 176.870 0.043 0.000 1.074 755 L CA 4.004 58.851 54.840 0.013 0.000 0.759 755 L CB -0.673 41.408 42.059 0.037 0.000 0.888 755 L HN -0.256 7.851 8.230 -0.028 0.107 0.433 756 M N -2.963 116.696 119.600 0.098 0.000 2.346 756 M HA -0.384 nan 4.480 nan 0.000 0.263 756 M C 2.368 178.783 176.300 0.193 0.000 1.064 756 M CA 3.394 58.808 55.300 0.189 0.000 1.083 756 M CB -0.489 32.303 32.600 0.319 0.000 1.399 756 M HN -0.760 7.594 8.290 0.107 0.000 0.435 757 I N 0.880 121.427 120.570 -0.038 0.000 2.142 757 I HA -0.551 nan 4.170 nan 0.000 0.240 757 I C 1.899 178.010 176.117 -0.010 0.000 1.078 757 I CA 3.887 65.048 61.300 -0.230 0.000 1.343 757 I CB -0.121 37.559 38.000 -0.533 0.000 1.046 757 I HN 0.500 8.447 8.210 -0.084 0.212 0.405 758 K N -1.946 118.455 120.400 0.002 0.000 2.155 758 K HA -0.183 nan 4.320 nan 0.000 0.203 758 K C 2.764 179.394 176.600 0.051 0.000 1.052 758 K CA 1.862 58.170 56.287 0.035 0.000 0.948 758 K CB -0.671 31.843 32.500 0.022 0.000 0.728 758 K HN 0.060 8.294 8.250 -0.027 0.000 0.448 759 A N -1.358 121.499 122.820 0.061 0.000 2.239 759 A HA -0.049 nan 4.320 nan 0.000 0.209 759 A C -0.039 177.599 177.584 0.091 0.000 1.171 759 A CA 1.943 54.023 52.037 0.072 0.000 0.768 759 A CB -0.669 18.378 19.000 0.078 0.000 0.790 759 A HN 0.034 8.218 8.150 0.057 0.000 0.478 760 L N -3.829 117.462 121.223 0.113 0.000 3.366 760 L HA 0.255 nan 4.340 nan 0.000 0.304 760 L C -0.800 176.142 176.870 0.121 0.000 1.292 760 L CA -1.010 53.903 54.840 0.121 0.000 1.012 760 L CB 0.273 42.432 42.059 0.166 0.000 1.414 760 L HN -0.819 7.295 8.230 0.114 0.185 0.603 761 E N -4.877 115.379 120.200 0.092 0.000 3.146 761 E HA -0.428 nan 4.350 nan 0.000 0.277 761 E C -0.024 176.629 176.600 0.088 0.000 1.003 761 E CA 1.137 57.583 56.400 0.077 0.000 0.861 761 E CB -1.299 28.438 29.700 0.062 0.000 1.436 761 E HN -0.299 7.932 8.360 0.079 0.176 0.455 762 L N -0.255 121.047 121.223 0.131 0.000 2.628 762 L HA -0.153 nan 4.340 nan 0.000 0.274 762 L C -0.328 176.602 176.870 0.101 0.000 1.209 762 L CA 0.943 55.889 54.840 0.176 0.000 0.930 762 L CB -0.243 41.974 42.059 0.263 0.000 1.183 762 L HN -0.433 7.799 8.230 0.139 0.081 0.492 763 D N 5.126 125.480 120.400 -0.078 0.000 2.351 763 D HA 0.125 nan 4.640 nan 0.000 0.251 763 D C -0.009 175.850 176.300 -0.735 0.000 1.137 763 D CA -2.059 51.791 54.000 -0.249 0.000 0.879 763 D CB 1.764 42.479 40.800 -0.142 0.000 1.181 763 D HN 0.079 8.445 8.370 -0.007 0.000 0.448 764 P HA -0.154 nan 4.420 nan 0.000 0.234 764 P C -0.371 176.703 177.300 -0.377 0.000 1.162 764 P CA 1.454 64.252 63.100 -0.504 0.000 0.759 764 P CB -0.041 31.587 31.700 -0.120 0.000 0.813 765 N N -3.245 115.278 118.700 -0.295 0.000 2.143 765 N HA 0.180 nan 4.740 nan 0.000 0.222 765 N C 0.483 176.028 175.510 0.058 0.000 1.264 765 N CA -0.238 52.788 53.050 -0.040 0.000 0.897 765 N CB 2.495 40.980 38.487 -0.004 0.000 1.092 765 N HN -0.100 8.393 8.380 -0.295 -0.290 0.516 766 L N 0.762 121.929 121.223 -0.093 0.000 2.044 766 L HA -0.238 nan 4.340 nan 0.000 0.205 766 L C -0.108 176.994 176.870 0.386 0.000 1.075 766 L CA 3.353 58.261 54.840 0.114 0.000 0.747 766 L CB 0.491 42.591 42.059 0.068 0.000 0.903 766 L HN -0.373 7.708 8.230 -0.297 -0.029 0.435 767 Y N -4.924 115.556 120.300 0.299 0.000 2.295 767 Y HA 0.130 nan 4.550 nan 0.000 0.331 767 Y C -0.849 174.979 175.900 -0.120 0.000 1.311 767 Y CA -2.860 55.307 58.100 0.111 0.000 1.430 767 Y CB 0.725 39.163 38.460 -0.037 0.000 1.339 767 Y HN -0.841 7.165 8.280 -0.456 0.000 0.552 768 R N 0.978 121.372 120.500 -0.177 0.000 2.487 768 R HA 0.290 nan 4.340 nan 0.000 0.288 768 R C -1.306 174.898 176.300 -0.159 0.000 1.394 768 R CA -2.118 53.824 56.100 -0.265 0.000 1.155 768 R CB 1.639 31.404 30.300 -0.890 0.000 1.156 768 R HN 0.381 8.477 8.270 -0.290 0.000 0.553 769 I N 6.861 127.318 120.570 -0.188 0.000 2.453 769 I HA 0.012 nan 4.170 nan 0.000 0.300 769 I C 0.020 176.004 176.117 -0.222 0.000 1.159 769 I CA -0.598 60.411 61.300 -0.484 0.000 1.379 769 I CB -2.450 35.021 38.000 -0.882 0.000 1.460 769 I HN 0.275 8.488 8.210 0.005 0.000 0.601 770 G N 4.975 113.788 108.800 0.021 0.000 2.783 770 G HA2 0.129 nan 3.960 nan 0.000 0.182 770 G HA3 0.129 nan 3.960 nan 0.000 0.182 770 G C 0.236 175.264 174.900 0.214 0.000 1.516 770 G CA -0.373 44.799 45.100 0.119 0.000 1.079 770 G HN 0.368 8.583 8.290 0.061 0.112 0.573 771 Q N 0.267 120.161 119.800 0.156 0.000 1.990 771 Q HA 0.075 nan 4.340 nan 0.000 0.195 771 Q C 2.124 178.166 176.000 0.070 0.000 0.977 771 Q CA 2.387 58.267 55.803 0.129 0.000 0.828 771 Q CB 0.622 29.405 28.738 0.075 0.000 0.896 771 Q HN -0.141 8.451 8.270 0.125 -0.247 0.447 772 S N -2.563 113.111 115.700 -0.043 0.000 2.339 772 S HA -0.044 nan 4.470 nan 0.000 0.213 772 S C 0.072 174.524 174.600 -0.247 0.000 1.033 772 S CA 1.278 59.356 58.200 -0.202 0.000 0.950 772 S CB 1.724 64.821 63.200 -0.172 0.000 0.893 772 S HN -0.184 8.618 8.310 -0.023 -0.506 0.492 773 K N 1.411 121.693 120.400 -0.196 0.000 2.201 773 K HA 0.206 nan 4.320 nan 0.000 0.278 773 K C -0.302 176.227 176.600 -0.119 0.000 1.027 773 K CA -1.054 55.071 56.287 -0.269 0.000 0.909 773 K CB 0.814 32.993 32.500 -0.536 0.000 1.062 773 K HN -0.442 8.123 8.250 -0.197 -0.433 0.465 774 I N 3.559 124.106 120.570 -0.040 0.000 2.576 774 I HA -0.169 nan 4.170 nan 0.000 0.288 774 I C -0.636 175.244 176.117 -0.395 0.000 1.126 774 I CA 0.421 61.547 61.300 -0.291 0.000 1.362 774 I CB -1.226 36.400 38.000 -0.623 0.000 1.419 774 I HN 0.450 8.675 8.210 0.024 0.000 0.533 775 F N 8.802 128.568 119.950 -0.305 0.000 2.506 775 F HA -0.065 nan 4.527 nan 0.000 0.371 775 F C -1.053 174.632 175.800 -0.192 0.000 1.078 775 F CA 0.411 58.277 58.000 -0.223 0.000 1.195 775 F CB 0.716 39.501 39.000 -0.358 0.000 1.099 775 F HN 0.228 8.441 8.300 -0.144 0.000 0.548 776 F N 3.674 123.846 119.950 0.370 0.000 2.427 776 F HA 0.394 nan 4.527 nan 0.000 0.346 776 F C -0.886 175.214 175.800 0.500 0.000 1.120 776 F CA -1.378 56.862 58.000 0.400 0.000 1.033 776 F CB 2.097 41.263 39.000 0.276 0.000 1.126 776 F HN 0.249 8.755 8.300 0.523 0.107 0.462 777 R N 4.534 125.495 120.500 0.769 0.000 2.840 777 R HA -0.053 nan 4.340 nan 0.000 0.282 777 R C -0.841 175.581 176.300 0.203 0.000 1.133 777 R CA -0.162 56.138 56.100 0.334 0.000 1.208 777 R CB 1.270 31.635 30.300 0.108 0.000 1.160 777 R HN -0.482 8.324 8.270 0.892 0.000 0.576 778 T N 0.594 115.188 114.554 0.067 0.000 2.923 778 T HA -0.193 nan 4.350 nan 0.000 0.304 778 T C 1.533 176.234 174.700 0.002 0.000 1.044 778 T CA 1.974 64.078 62.100 0.007 0.000 1.141 778 T CB -0.263 68.571 68.868 -0.057 0.000 1.023 778 T HN 0.318 8.570 8.240 0.020 0.000 0.533 779 G N 6.193 114.980 108.800 -0.023 0.000 4.039 779 G HA2 -0.425 nan 3.960 nan 0.000 0.220 779 G HA3 -0.425 nan 3.960 nan 0.000 0.220 779 G C 0.838 175.725 174.900 -0.023 0.000 1.391 779 G CA 1.353 46.439 45.100 -0.024 0.000 0.920 779 G HN 0.171 8.440 8.290 -0.036 0.000 0.599 780 V N 4.392 124.306 119.914 0.000 0.000 2.240 780 V HA -0.511 nan 4.120 nan 0.000 0.257 780 V C 1.933 177.911 176.094 -0.193 0.000 1.067 780 V CA 2.853 65.142 62.300 -0.017 0.000 1.067 780 V CB -0.604 31.309 31.823 0.149 0.000 0.683 780 V HN -0.336 7.783 8.190 0.043 0.096 0.461 781 L N -0.522 120.386 121.223 -0.526 0.000 2.127 781 L HA -0.356 nan 4.340 nan 0.000 0.211 781 L C 1.363 178.103 176.870 -0.215 0.000 1.089 781 L CA 2.759 57.269 54.840 -0.550 0.000 0.757 781 L CB -0.770 40.888 42.059 -0.669 0.000 0.899 781 L HN -0.244 7.635 8.230 -0.585 0.000 0.434 782 A N -2.328 120.418 122.820 -0.123 0.000 1.972 782 A HA -0.380 nan 4.320 nan 0.000 0.219 782 A C 1.682 179.277 177.584 0.019 0.000 1.169 782 A CA 3.034 55.048 52.037 -0.039 0.000 0.635 782 A CB -1.082 17.915 19.000 -0.004 0.000 0.810 782 A HN -0.052 7.989 8.150 -0.134 0.029 0.446 783 H N -0.717 118.319 119.070 -0.057 0.000 2.389 783 H HA -0.159 nan 4.556 nan 0.000 0.299 783 H C 1.821 177.091 175.328 -0.097 0.000 1.081 783 H CA 2.994 59.023 56.048 -0.032 0.000 1.345 783 H CB 0.131 29.877 29.762 -0.025 0.000 1.393 783 H HN -0.528 7.766 8.280 0.074 0.030 0.520 784 L N -1.446 119.581 121.223 -0.326 0.000 2.046 784 L HA -0.331 nan 4.340 nan 0.000 0.208 784 L C 2.340 179.002 176.870 -0.346 0.000 1.077 784 L CA 2.689 57.169 54.840 -0.600 0.000 0.747 784 L CB -1.249 40.244 42.059 -0.944 0.000 0.896 784 L HN -0.510 7.604 8.230 -0.192 0.000 0.432 785 E N -0.522 119.605 120.200 -0.122 0.000 2.058 785 E HA -0.419 nan 4.350 nan 0.000 0.194 785 E C 2.041 178.610 176.600 -0.050 0.000 0.997 785 E CA 3.081 59.468 56.400 -0.022 0.000 0.801 785 E CB -0.429 29.261 29.700 -0.018 0.000 0.746 785 E HN -0.453 7.833 8.360 -0.123 0.000 0.450 786 E N -0.563 119.600 120.200 -0.062 0.000 2.033 786 E HA -0.441 nan 4.350 nan 0.000 0.199 786 E C 2.252 178.816 176.600 -0.059 0.000 1.011 786 E CA 3.221 59.602 56.400 -0.031 0.000 0.815 786 E CB -0.163 29.576 29.700 0.065 0.000 0.755 786 E HN -0.349 7.913 8.360 -0.059 0.063 0.451 787 E N -1.210 118.896 120.200 -0.157 0.000 2.065 787 E HA -0.395 nan 4.350 nan 0.000 0.201 787 E C 2.367 178.921 176.600 -0.075 0.000 1.016 787 E CA 3.105 59.413 56.400 -0.154 0.000 0.818 787 E CB -0.561 28.956 29.700 -0.305 0.000 0.749 787 E HN 0.001 8.198 8.360 -0.271 0.000 0.453 788 R N -1.783 118.683 120.500 -0.057 0.000 2.127 788 R HA -0.306 nan 4.340 nan 0.000 0.238 788 R C 1.755 178.050 176.300 -0.008 0.000 1.134 788 R CA 2.858 58.962 56.100 0.007 0.000 0.975 788 R CB -0.142 30.210 30.300 0.087 0.000 0.865 788 R HN -0.256 7.955 8.270 -0.099 0.000 0.447 789 D N -1.621 118.767 120.400 -0.019 0.000 2.137 789 D HA -0.058 nan 4.640 nan 0.000 0.202 789 D C 2.548 178.839 176.300 -0.014 0.000 0.970 789 D CA 2.811 56.800 54.000 -0.019 0.000 0.837 789 D CB 0.421 41.207 40.800 -0.023 0.000 0.981 789 D HN -0.397 7.853 8.370 -0.027 0.105 0.475 790 L N 0.949 122.164 121.223 -0.013 0.000 2.046 790 L HA -0.360 nan 4.340 nan 0.000 0.208 790 L C 1.714 178.583 176.870 -0.001 0.000 1.077 790 L CA 2.850 57.688 54.840 -0.003 0.000 0.747 790 L CB -0.140 41.923 42.059 0.006 0.000 0.896 790 L HN 0.283 8.317 8.230 -0.019 0.184 0.432 791 K N -3.838 116.559 120.400 -0.005 0.000 2.515 791 K HA -0.225 nan 4.320 nan 0.000 0.196 791 K C 1.246 177.845 176.600 -0.003 0.000 1.038 791 K CA 2.212 58.499 56.287 -0.000 0.000 0.967 791 K CB 0.193 32.694 32.500 0.001 0.000 0.780 791 K HN 0.140 8.383 8.250 -0.011 0.000 0.483 792 I N -9.391 111.174 120.570 -0.008 0.000 4.154 792 I HA 0.313 nan 4.170 nan 0.000 0.334 792 I C 0.746 176.856 176.117 -0.011 0.000 1.371 792 I CA 0.265 61.557 61.300 -0.013 0.000 1.110 792 I CB 1.293 39.280 38.000 -0.021 0.000 1.085 792 I HN -0.272 7.748 8.210 -0.009 0.185 0.398 793 T N -1.982 112.568 114.554 -0.006 0.000 3.035 793 T HA -0.188 nan 4.350 nan 0.000 0.268 793 T C 1.262 175.963 174.700 0.003 0.000 1.109 793 T CA 2.006 64.104 62.100 -0.003 0.000 1.119 793 T CB -0.865 68.002 68.868 -0.002 0.000 0.900 793 T HN 0.149 8.274 8.240 -0.005 0.113 0.503 794 D N 0.691 121.095 120.400 0.006 0.000 2.144 794 D HA -0.155 nan 4.640 nan 0.000 0.207 794 D C 0.248 176.559 176.300 0.017 0.000 0.970 794 D CA 0.639 54.648 54.000 0.014 0.000 0.853 794 D CB -0.395 40.415 40.800 0.017 0.000 1.007 794 D HN -0.138 8.192 8.370 0.004 0.043 0.469 795 V N 1.432 121.352 119.914 0.011 0.000 5.908 795 V HA -0.298 nan 4.120 nan 0.000 0.169 795 V C -0.714 175.394 176.094 0.024 0.000 0.736 795 V CA 1.174 63.476 62.300 0.003 0.000 0.590 795 V CB -0.379 31.430 31.823 -0.023 0.000 0.574 795 V HN 0.080 8.273 8.190 0.006 0.000 0.390 796 I N 2.941 123.556 120.570 0.075 0.000 2.651 796 I HA 0.194 nan 4.170 nan 0.000 0.287 796 I C 0.083 176.282 176.117 0.137 0.000 1.244 796 I CA -1.168 60.186 61.300 0.090 0.000 1.061 796 I CB 1.279 39.333 38.000 0.091 0.000 1.286 796 I HN -0.538 7.747 8.210 0.126 0.000 0.434 797 I N 7.203 127.826 120.570 0.088 0.000 2.113 797 I HA -0.619 nan 4.170 nan 0.000 0.242 797 I C 1.117 177.278 176.117 0.074 0.000 1.057 797 I CA 4.455 65.798 61.300 0.071 0.000 1.314 797 I CB -0.234 37.794 38.000 0.046 0.000 1.022 797 I HN 0.853 9.103 8.210 0.066 0.000 0.408 798 A N -2.335 120.534 122.820 0.082 0.000 1.972 798 A HA -0.294 nan 4.320 nan 0.000 0.219 798 A C 1.850 179.498 177.584 0.107 0.000 1.169 798 A CA 2.749 54.832 52.037 0.077 0.000 0.635 798 A CB -0.677 18.368 19.000 0.076 0.000 0.810 798 A HN -0.014 8.183 8.150 0.079 0.000 0.446 799 F N -0.259 119.694 119.950 0.006 0.000 2.094 799 F HA -0.315 nan 4.527 nan 0.000 0.291 799 F C 1.316 177.125 175.800 0.014 0.000 1.109 799 F CA 2.984 60.987 58.000 0.006 0.000 1.221 799 F CB 0.389 39.391 39.000 0.003 0.000 1.014 799 F HN -0.540 7.779 8.300 0.264 0.140 0.473 800 Q N -0.723 119.133 119.800 0.093 0.000 2.133 800 Q HA -0.559 nan 4.340 nan 0.000 0.208 800 Q C 2.402 178.366 176.000 -0.060 0.000 0.991 800 Q CA 3.593 59.393 55.803 -0.005 0.000 0.867 800 Q CB -0.264 28.516 28.738 0.070 0.000 0.911 800 Q HN 0.395 8.829 8.270 0.273 0.000 0.417 801 A N -2.175 120.626 122.820 -0.030 0.000 1.972 801 A HA -0.310 nan 4.320 nan 0.000 0.219 801 A C 2.342 179.891 177.584 -0.058 0.000 1.169 801 A CA 3.200 55.219 52.037 -0.030 0.000 0.635 801 A CB -0.947 18.048 19.000 -0.008 0.000 0.810 801 A HN 0.602 8.632 8.150 0.003 0.122 0.446 802 Q N -1.414 118.317 119.800 -0.114 0.000 2.049 802 Q HA -0.265 nan 4.340 nan 0.000 0.198 802 Q C 2.174 178.088 176.000 -0.144 0.000 0.971 802 Q CA 3.153 58.873 55.803 -0.138 0.000 0.833 802 Q CB -0.050 28.567 28.738 -0.201 0.000 0.896 802 Q HN -0.430 7.618 8.270 -0.138 0.139 0.434 803 C N 0.601 119.741 119.300 -0.266 0.000 2.367 803 C HA -0.426 nan 4.460 nan 0.000 0.276 803 C C 2.381 177.379 174.990 0.012 0.000 1.195 803 C CA 4.095 63.028 59.018 -0.142 0.000 1.756 803 C CB -1.797 25.809 27.740 -0.224 0.000 2.046 803 C HN 0.219 8.176 8.230 -0.456 0.000 0.453 804 R N -1.033 119.452 120.500 -0.024 0.000 2.115 804 R HA -0.467 nan 4.340 nan 0.000 0.239 804 R C 2.236 178.542 176.300 0.009 0.000 1.133 804 R CA 3.469 59.565 56.100 -0.007 0.000 0.935 804 R CB -0.580 29.711 30.300 -0.014 0.000 0.853 804 R HN 0.474 8.599 8.270 -0.059 0.109 0.433 805 G N -1.827 106.980 108.800 0.012 0.000 2.599 805 G HA2 -0.382 nan 3.960 nan 0.000 0.219 805 G HA3 -0.382 nan 3.960 nan 0.000 0.219 805 G C 0.751 175.697 174.900 0.076 0.000 1.193 805 G CA 2.001 47.116 45.100 0.026 0.000 0.778 805 G HN -0.083 8.088 8.290 -0.008 0.114 0.589 806 Y N 2.280 122.547 120.300 -0.055 0.000 2.102 806 Y HA -0.493 nan 4.550 nan 0.000 0.280 806 Y C 1.749 177.635 175.900 -0.023 0.000 1.178 806 Y CA 2.992 61.067 58.100 -0.042 0.000 1.146 806 Y CB 0.312 38.735 38.460 -0.063 0.000 0.968 806 Y HN -0.131 8.253 8.280 0.173 0.000 0.504 807 L N -3.186 117.971 121.223 -0.111 0.000 2.072 807 L HA -0.480 nan 4.340 nan 0.000 0.205 807 L C 1.877 178.675 176.870 -0.120 0.000 1.079 807 L CA 2.329 57.035 54.840 -0.222 0.000 0.752 807 L CB -0.427 41.560 42.059 -0.120 0.000 0.906 807 L HN -0.360 7.747 8.230 0.022 0.136 0.436 808 A N -0.680 122.110 122.820 -0.050 0.000 1.877 808 A HA -0.314 nan 4.320 nan 0.000 0.216 808 A C 1.712 179.309 177.584 0.022 0.000 1.186 808 A CA 3.375 55.402 52.037 -0.015 0.000 0.620 808 A CB -0.721 18.261 19.000 -0.030 0.000 0.822 808 A HN 0.162 8.291 8.150 -0.036 0.000 0.443 809 R N -3.935 116.572 120.500 0.012 0.000 2.316 809 R HA -0.177 nan 4.340 nan 0.000 0.202 809 R C 0.733 177.068 176.300 0.060 0.000 1.029 809 R CA 2.225 58.360 56.100 0.058 0.000 1.018 809 R CB -0.312 30.016 30.300 0.047 0.000 0.888 809 R HN -0.531 7.737 8.270 -0.003 0.000 0.471 810 K N -0.538 119.847 120.400 -0.025 0.000 2.102 810 K HA 0.006 nan 4.320 nan 0.000 0.206 810 K C 1.644 178.230 176.600 -0.024 0.000 1.031 810 K CA 0.850 57.102 56.287 -0.058 0.000 0.962 810 K CB -0.028 32.354 32.500 -0.197 0.000 0.811 810 K HN -0.855 7.214 8.250 -0.077 0.135 0.453 811 A N 0.761 123.560 122.820 -0.035 0.000 1.948 811 A HA -0.228 nan 4.320 nan 0.000 0.220 811 A C 2.118 179.731 177.584 0.048 0.000 1.177 811 A CA 2.837 54.868 52.037 -0.010 0.000 0.636 811 A CB -0.901 18.091 19.000 -0.013 0.000 0.815 811 A HN 0.165 8.271 8.150 -0.073 0.000 0.449 812 F N 0.147 120.068 119.950 -0.049 0.000 2.176 812 F HA -0.532 nan 4.527 nan 0.000 0.301 812 F C 0.810 176.594 175.800 -0.028 0.000 1.071 812 F CA 1.252 59.232 58.000 -0.034 0.000 1.289 812 F CB -0.334 38.649 39.000 -0.029 0.000 1.028 812 F HN -0.048 8.384 8.300 0.221 0.000 0.494 813 A N -1.622 121.061 122.820 -0.228 0.000 2.009 813 A HA -0.515 nan 4.320 nan 0.000 0.222 813 A C 1.918 179.341 177.584 -0.268 0.000 1.175 813 A CA 3.183 55.048 52.037 -0.287 0.000 0.651 813 A CB -1.126 17.796 19.000 -0.130 0.000 0.815 813 A HN -0.141 7.953 8.150 -0.044 0.030 0.459 814 K N -1.797 118.492 120.400 -0.184 0.000 2.001 814 K HA -0.251 nan 4.320 nan 0.000 0.208 814 K C 2.069 178.570 176.600 -0.164 0.000 1.048 814 K CA 2.535 58.741 56.287 -0.135 0.000 0.932 814 K CB -0.150 32.305 32.500 -0.074 0.000 0.715 814 K HN -0.364 7.781 8.250 -0.137 0.023 0.437 815 R N -1.620 118.768 120.500 -0.186 0.000 2.115 815 R HA -0.185 nan 4.340 nan 0.000 0.226 815 R C 2.638 178.801 176.300 -0.228 0.000 1.100 815 R CA 2.224 58.247 56.100 -0.127 0.000 0.980 815 R CB -0.416 29.895 30.300 0.019 0.000 0.875 815 R HN -0.197 7.838 8.270 -0.221 0.102 0.445 816 Q N -0.539 118.917 119.800 -0.573 0.000 2.029 816 Q HA -0.465 nan 4.340 nan 0.000 0.209 816 Q C 1.883 177.727 176.000 -0.260 0.000 0.999 816 Q CA 3.195 58.673 55.803 -0.541 0.000 0.857 816 Q CB -0.084 28.136 28.738 -0.864 0.000 0.926 816 Q HN -0.136 7.587 8.270 -0.911 0.000 0.415 817 Q N -2.449 117.220 119.800 -0.218 0.000 1.993 817 Q HA -0.351 nan 4.340 nan 0.000 0.202 817 Q C 2.542 178.488 176.000 -0.089 0.000 0.984 817 Q CA 2.631 58.357 55.803 -0.129 0.000 0.837 817 Q CB -0.433 28.241 28.738 -0.107 0.000 0.902 817 Q HN -0.195 7.726 8.270 -0.264 0.190 0.423 818 Q N -1.732 118.020 119.800 -0.080 0.000 2.297 818 Q HA -0.310 nan 4.340 nan 0.000 0.208 818 Q C 2.243 178.220 176.000 -0.038 0.000 0.981 818 Q CA 2.200 57.973 55.803 -0.050 0.000 0.876 818 Q CB -0.449 28.264 28.738 -0.042 0.000 0.921 818 Q HN -0.079 8.133 8.270 -0.097 0.000 0.446 819 L N 0.355 121.552 121.223 -0.042 0.000 1.961 819 L HA -0.306 nan 4.340 nan 0.000 0.210 819 L C 1.649 178.508 176.870 -0.019 0.000 1.072 819 L CA 3.453 58.278 54.840 -0.025 0.000 0.749 819 L CB -0.337 41.709 42.059 -0.021 0.000 0.889 819 L HN -0.548 7.584 8.230 -0.062 0.061 0.432 820 T N 0.098 114.639 114.554 -0.022 0.000 2.962 820 T HA -0.292 nan 4.350 nan 0.000 0.270 820 T C 1.764 176.456 174.700 -0.014 0.000 1.088 820 T CA 4.100 66.191 62.100 -0.015 0.000 1.127 820 T CB -0.922 67.937 68.868 -0.015 0.000 0.883 820 T HN 0.020 8.242 8.240 -0.031 0.000 0.493 821 A N 2.097 124.906 122.820 -0.018 0.000 1.883 821 A HA -0.308 nan 4.320 nan 0.000 0.217 821 A C 1.709 179.287 177.584 -0.010 0.000 1.186 821 A CA 3.157 55.186 52.037 -0.015 0.000 0.624 821 A CB -1.004 17.984 19.000 -0.020 0.000 0.822 821 A HN -0.579 7.546 8.150 -0.025 0.010 0.444 822 M N -2.455 117.138 119.600 -0.010 0.000 2.195 822 M HA -0.369 nan 4.480 nan 0.000 0.260 822 M C 2.407 178.704 176.300 -0.004 0.000 1.066 822 M CA 2.392 57.689 55.300 -0.006 0.000 1.089 822 M CB -0.876 31.721 32.600 -0.006 0.000 1.377 822 M HN -0.214 7.999 8.290 -0.014 0.069 0.411 823 K N -1.507 118.890 120.400 -0.006 0.000 2.103 823 K HA -0.214 nan 4.320 nan 0.000 0.204 823 K C 2.231 178.829 176.600 -0.004 0.000 1.052 823 K CA 2.893 59.176 56.287 -0.005 0.000 0.945 823 K CB -0.348 32.148 32.500 -0.007 0.000 0.722 823 K HN -0.526 7.569 8.250 -0.007 0.151 0.443 824 V N 0.899 120.811 119.914 -0.002 0.000 2.343 824 V HA -0.374 nan 4.120 nan 0.000 0.247 824 V C 1.754 177.852 176.094 0.007 0.000 1.051 824 V CA 3.929 66.231 62.300 0.003 0.000 1.036 824 V CB -0.834 30.992 31.823 0.004 0.000 0.654 824 V HN -0.502 7.586 8.190 -0.004 0.099 0.451 825 I N -1.570 119.003 120.570 0.006 0.000 2.163 825 I HA -0.712 nan 4.170 nan 0.000 0.243 825 I C 1.947 178.071 176.117 0.011 0.000 1.085 825 I CA 4.382 65.688 61.300 0.010 0.000 1.347 825 I CB -0.590 37.414 38.000 0.007 0.000 1.044 825 I HN -0.346 7.865 8.210 0.002 0.000 0.408 826 Q N -1.418 118.385 119.800 0.004 0.000 2.077 826 Q HA -0.427 nan 4.340 nan 0.000 0.206 826 Q C 2.702 178.700 176.000 -0.003 0.000 0.989 826 Q CA 3.534 59.337 55.803 0.000 0.000 0.853 826 Q CB -0.441 28.293 28.738 -0.006 0.000 0.907 826 Q HN -0.331 7.940 8.270 0.002 0.000 0.418 827 R N -1.071 119.425 120.500 -0.006 0.000 2.061 827 R HA -0.346 nan 4.340 nan 0.000 0.230 827 R C 2.617 178.914 176.300 -0.006 0.000 1.140 827 R CA 3.394 59.485 56.100 -0.016 0.000 0.940 827 R CB -0.240 30.050 30.300 -0.017 0.000 0.839 827 R HN -0.487 7.696 8.270 -0.004 0.085 0.429 828 N N -0.831 117.879 118.700 0.017 0.000 2.142 828 N HA -0.185 nan 4.740 nan 0.000 0.186 828 N C 2.068 177.622 175.510 0.073 0.000 1.023 828 N CA 3.658 56.734 53.050 0.043 0.000 0.852 828 N CB 0.256 38.778 38.487 0.058 0.000 0.998 828 N HN -0.264 8.126 8.380 0.017 0.000 0.424 829 C N -0.782 118.557 119.300 0.065 0.000 2.432 829 C HA -0.259 nan 4.460 nan 0.000 0.277 829 C C 1.697 176.738 174.990 0.085 0.000 1.249 829 C CA 4.122 63.198 59.018 0.096 0.000 1.725 829 C CB -1.733 26.048 27.740 0.068 0.000 2.028 829 C HN -0.083 8.174 8.230 0.044 0.000 0.477 830 A N -1.414 121.423 122.820 0.028 0.000 2.067 830 A HA -0.209 nan 4.320 nan 0.000 0.219 830 A C 1.532 179.095 177.584 -0.036 0.000 1.158 830 A CA 2.625 54.656 52.037 -0.010 0.000 0.661 830 A CB -0.877 18.108 19.000 -0.025 0.000 0.801 830 A HN -0.399 7.763 8.150 0.020 0.000 0.452 831 A N -0.511 122.298 122.820 -0.019 0.000 1.968 831 A HA -0.205 nan 4.320 nan 0.000 0.217 831 A C 0.962 178.540 177.584 -0.010 0.000 1.169 831 A CA 2.625 54.631 52.037 -0.052 0.000 0.638 831 A CB -0.733 18.226 19.000 -0.068 0.000 0.812 831 A HN 0.128 8.154 8.150 0.003 0.126 0.446 832 Y N -0.871 119.423 120.300 -0.010 0.000 2.293 832 Y HA -0.326 nan 4.550 nan 0.000 0.291 832 Y C 1.138 177.044 175.900 0.010 0.000 1.137 832 Y CA 2.758 60.869 58.100 0.018 0.000 1.202 832 Y CB 0.156 38.634 38.460 0.031 0.000 0.990 832 Y HN -0.122 8.264 8.280 0.178 0.000 0.537 833 L N -2.479 118.551 121.223 -0.321 0.000 2.240 833 L HA -0.163 nan 4.340 nan 0.000 0.211 833 L C 0.825 177.565 176.870 -0.216 0.000 1.106 833 L CA 2.001 56.649 54.840 -0.320 0.000 0.793 833 L CB 0.133 42.102 42.059 -0.151 0.000 0.927 833 L HN -0.471 7.577 8.230 -0.110 0.116 0.446 834 K N -3.319 116.988 120.400 -0.154 0.000 2.642 834 K HA 0.125 nan 4.320 nan 0.000 0.214 834 K C 0.752 177.285 176.600 -0.111 0.000 1.451 834 K CA 0.411 56.629 56.287 -0.116 0.000 0.917 834 K CB 1.577 34.019 32.500 -0.095 0.000 1.779 834 K HN -0.163 7.809 8.250 -0.136 0.196 0.447 835 L N -1.472 119.671 121.223 -0.133 0.000 2.721 835 L HA -0.129 nan 4.340 nan 0.000 0.241 835 L C 1.273 178.022 176.870 -0.201 0.000 1.168 835 L CA 0.731 55.458 54.840 -0.189 0.000 0.866 835 L CB -0.116 41.780 42.059 -0.271 0.000 0.996 835 L HN -0.324 7.830 8.230 -0.126 0.000 0.451 836 R N 1.493 121.946 120.500 -0.078 0.000 4.054 836 R HA -0.138 nan 4.340 nan 0.000 0.227 836 R C -1.239 175.121 176.300 0.100 0.000 1.902 836 R CA 0.457 56.592 56.100 0.058 0.000 1.590 836 R CB -1.741 28.631 30.300 0.119 0.000 1.245 836 R HN -0.282 7.865 8.270 -0.078 0.076 0.647 837 N N -1.035 117.714 118.700 0.082 0.000 3.153 837 N HA 0.034 nan 4.740 nan 0.000 0.208 837 N C -1.664 173.981 175.510 0.225 0.000 1.462 837 N CA 0.129 53.251 53.050 0.119 0.000 0.754 837 N CB 0.749 39.265 38.487 0.049 0.000 1.558 837 N HN -0.230 8.104 8.380 0.022 0.059 0.605 838 W N 2.736 124.071 121.300 0.059 0.000 4.144 838 W HA 0.313 nan 4.660 nan 0.000 0.424 838 W C -1.131 175.458 176.519 0.117 0.000 1.350 838 W CA -0.606 56.789 57.345 0.083 0.000 0.963 838 W CB 0.111 29.634 29.460 0.105 0.000 2.002 838 W HN -0.392 7.997 8.180 0.348 0.000 0.639 839 Q N -1.178 118.489 119.800 -0.223 0.000 2.164 839 Q HA 0.091 nan 4.340 nan 0.000 0.226 839 Q C -0.968 174.860 176.000 -0.288 0.000 0.813 839 Q CA -0.147 55.532 55.803 -0.207 0.000 0.978 839 Q CB 1.195 29.854 28.738 -0.133 0.000 1.149 839 Q HN -0.109 7.563 8.270 -0.997 0.000 0.489 840 W N -1.072 119.864 121.300 -0.607 0.000 1.055 840 W HA 0.041 nan 4.660 nan 0.000 0.287 840 W C -1.405 175.141 176.519 0.045 0.000 0.855 840 W CA 0.148 57.205 57.345 -0.480 0.000 2.144 840 W CB 0.254 29.165 29.460 -0.914 0.000 1.405 840 W HN -0.209 7.833 8.180 -0.230 0.000 0.490 841 W N 0.092 121.437 121.300 0.075 0.000 5.371 841 W HA 0.229 nan 4.660 nan 0.000 0.169 841 W C -0.618 175.730 176.519 -0.286 0.000 1.184 841 W CA 1.231 58.659 57.345 0.137 0.000 1.946 841 W CB 0.834 30.528 29.460 0.390 0.000 0.602 841 W HN -0.691 7.598 8.180 0.181 0.000 1.086 842 R N 2.532 122.983 120.500 -0.082 0.000 4.164 842 R HA 0.074 nan 4.340 nan 0.000 0.195 842 R C -1.279 174.543 176.300 -0.797 0.000 1.712 842 R CA 0.441 56.209 56.100 -0.553 0.000 1.457 842 R CB -1.790 28.618 30.300 0.180 0.000 1.387 842 R HN -0.038 8.367 8.270 0.225 0.000 0.785 843 L N 4.158 124.588 121.223 -1.321 0.000 2.492 843 L HA 0.262 nan 4.340 nan 0.000 0.258 843 L C -2.250 174.190 176.870 -0.716 0.000 1.028 843 L CA 0.578 54.968 54.840 -0.750 0.000 0.900 843 L CB 0.699 42.447 42.059 -0.518 0.000 1.191 843 L HN -0.073 6.868 8.230 -2.061 0.053 0.459 844 F N -0.162 119.699 119.950 -0.149 0.000 2.455 844 F HA 0.195 nan 4.527 nan 0.000 0.278 844 F C 0.937 176.678 175.800 -0.099 0.000 0.887 844 F CA 0.479 58.393 58.000 -0.142 0.000 1.104 844 F CB 0.438 39.333 39.000 -0.176 0.000 0.949 844 F HN -0.011 8.139 8.300 -0.249 0.000 0.750 845 T N -2.941 111.673 114.554 0.100 0.000 2.507 845 T HA 0.101 nan 4.350 nan 0.000 0.180 845 T C 0.603 175.302 174.700 -0.001 0.000 0.681 845 T CA -0.561 61.563 62.100 0.040 0.000 1.959 845 T CB 0.514 69.407 68.868 0.041 0.000 2.896 845 T HN -0.364 7.947 8.240 0.119 0.000 0.391 846 K N -0.851 119.546 120.400 -0.005 0.000 1.967 846 K HA -0.307 nan 4.320 nan 0.000 0.115 846 K C 1.424 178.013 176.600 -0.019 0.000 0.970 846 K CA 1.519 57.797 56.287 -0.015 0.000 0.503 846 K CB -0.753 31.733 32.500 -0.025 0.000 0.569 846 K HN -0.105 8.147 8.250 0.004 0.000 0.952 847 V N 3.118 123.015 119.914 -0.028 0.000 2.149 847 V HA -0.025 nan 4.120 nan 0.000 0.245 847 V C -0.778 175.296 176.094 -0.033 0.000 1.349 847 V CA 1.008 63.291 62.300 -0.028 0.000 1.289 847 V CB -2.160 29.645 31.823 -0.031 0.000 1.401 847 V HN 0.126 8.297 8.190 -0.033 0.000 0.501 848 K N 2.640 123.026 120.400 -0.024 0.000 2.590 848 K HA 0.287 nan 4.320 nan 0.000 0.218 848 K C -0.884 175.709 176.600 -0.012 0.000 1.536 848 K CA 0.310 56.584 56.287 -0.020 0.000 1.013 848 K CB 0.819 33.308 32.500 -0.018 0.000 1.265 848 K HN 0.042 8.188 8.250 -0.018 0.094 0.603 849 P HA -0.092 nan 4.420 nan 0.000 0.237 849 P C -0.039 177.254 177.300 -0.013 0.000 1.178 849 P CA 1.320 64.414 63.100 -0.011 0.000 0.766 849 P CB -0.306 31.388 31.700 -0.010 0.000 0.876 850 L N -2.965 118.250 121.223 -0.014 0.000 2.201 850 L HA -0.098 nan 4.340 nan 0.000 0.212 850 L C -0.357 176.503 176.870 -0.015 0.000 1.105 850 L CA 0.776 55.607 54.840 -0.015 0.000 0.775 850 L CB 0.315 42.364 42.059 -0.017 0.000 0.913 850 L HN -0.173 8.007 8.230 -0.015 0.040 0.440 851 L N -1.238 119.976 121.223 -0.016 0.000 2.361 851 L HA -0.061 nan 4.340 nan 0.000 0.278 851 L C 0.502 177.364 176.870 -0.014 0.000 1.113 851 L CA -0.396 54.435 54.840 -0.015 0.000 0.849 851 L CB -1.737 40.313 42.059 -0.015 0.000 1.155 851 L HN -0.805 7.415 8.230 -0.017 0.000 0.452 852 Q N 5.150 124.941 119.800 -0.013 0.000 2.930 852 Q HA -0.023 nan 4.340 nan 0.000 0.329 852 Q C 0.274 176.265 176.000 -0.015 0.000 1.142 852 Q CA -0.078 55.716 55.803 -0.014 0.000 0.462 852 Q CB 0.478 29.207 28.738 -0.014 0.000 5.313 852 Q HN 0.259 8.521 8.270 -0.013 0.000 0.331 853 S N -2.930 112.761 115.700 -0.016 0.000 3.711 853 S HA -0.250 nan 4.470 nan 0.000 0.374 853 S C -1.296 173.292 174.600 -0.019 0.000 0.969 853 S CA 0.543 58.733 58.200 -0.017 0.000 1.198 853 S CB -1.098 62.094 63.200 -0.014 0.000 0.903 853 S HN -0.056 8.322 8.310 -0.016 -0.077 0.493 854 A N -2.895 119.913 122.820 -0.021 0.000 2.577 854 A HA 0.096 nan 4.320 nan 0.000 0.195 854 A C 0.070 177.639 177.584 -0.025 0.000 1.407 854 A CA 0.819 52.842 52.037 -0.024 0.000 1.056 854 A CB 0.461 19.447 19.000 -0.022 0.000 1.165 854 A HN -0.306 7.800 8.150 -0.020 0.032 0.472 855 E N 2.099 122.284 120.200 -0.024 0.000 2.011 855 E HA -0.244 nan 4.350 nan 0.000 0.191 855 E C 1.359 177.942 176.600 -0.028 0.000 0.979 855 E CA 2.362 58.748 56.400 -0.023 0.000 0.822 855 E CB -0.848 28.840 29.700 -0.020 0.000 0.782 855 E HN 0.160 8.506 8.360 -0.023 0.000 0.459 856 R N -0.390 120.091 120.500 -0.031 0.000 2.211 856 R HA -0.216 nan 4.340 nan 0.000 0.240 856 R C 1.848 178.117 176.300 -0.052 0.000 1.144 856 R CA 2.670 58.746 56.100 -0.041 0.000 0.992 856 R CB -1.441 28.834 30.300 -0.042 0.000 0.869 856 R HN 0.274 8.527 8.270 -0.028 0.000 0.462 857 E N -0.742 119.429 120.200 -0.047 0.000 2.077 857 E HA -0.259 nan 4.350 nan 0.000 0.193 857 E C 2.381 178.952 176.600 -0.047 0.000 0.989 857 E CA 2.775 59.144 56.400 -0.051 0.000 0.800 857 E CB -1.101 28.574 29.700 -0.042 0.000 0.746 857 E HN 0.511 8.823 8.360 -0.040 0.023 0.452 858 K N -0.902 119.476 120.400 -0.037 0.000 2.063 858 K HA -0.338 nan 4.320 nan 0.000 0.208 858 K C 2.476 179.057 176.600 -0.033 0.000 1.048 858 K CA 3.234 59.502 56.287 -0.032 0.000 0.928 858 K CB -0.293 32.191 32.500 -0.025 0.000 0.713 858 K HN -0.239 7.895 8.250 -0.035 0.096 0.442 859 E N -0.294 119.884 120.200 -0.037 0.000 2.006 859 E HA -0.239 nan 4.350 nan 0.000 0.192 859 E C 2.212 178.776 176.600 -0.061 0.000 0.993 859 E CA 2.640 59.017 56.400 -0.039 0.000 0.808 859 E CB 0.127 29.805 29.700 -0.036 0.000 0.764 859 E HN -0.857 7.481 8.360 -0.037 0.000 0.449 860 M N -1.566 117.979 119.600 -0.092 0.000 2.818 860 M HA -0.242 nan 4.480 nan 0.000 0.226 860 M C 0.830 177.063 176.300 -0.111 0.000 1.050 860 M CA 1.844 57.058 55.300 -0.142 0.000 1.059 860 M CB -0.506 31.991 32.600 -0.170 0.000 1.634 860 M HN 0.144 8.293 8.290 -0.085 0.090 0.545 861 A N 0.505 123.284 122.820 -0.068 0.000 1.881 861 A HA 0.044 nan 4.320 nan 0.000 0.210 861 A C 1.349 178.914 177.584 -0.032 0.000 1.239 861 A CA 2.740 54.749 52.037 -0.047 0.000 0.629 861 A CB 0.018 18.997 19.000 -0.034 0.000 0.906 861 A HN 0.288 8.235 8.150 -0.059 0.167 0.460 862 S N 0.077 115.763 115.700 -0.023 0.000 2.402 862 S HA -0.191 nan 4.470 nan 0.000 0.229 862 S C 2.216 176.826 174.600 0.017 0.000 1.021 862 S CA 3.005 61.204 58.200 -0.002 0.000 0.974 862 S CB -0.484 62.715 63.200 -0.001 0.000 0.800 862 S HN -0.441 7.851 8.310 -0.029 0.000 0.484 863 M N 1.209 120.806 119.600 -0.005 0.000 2.236 863 M HA -0.254 nan 4.480 nan 0.000 0.266 863 M C 1.153 177.479 176.300 0.043 0.000 1.070 863 M CA 3.458 58.776 55.300 0.029 0.000 1.137 863 M CB -0.010 32.556 32.600 -0.057 0.000 1.378 863 M HN 0.313 8.464 8.290 -0.035 0.118 0.426 864 K N 0.011 120.369 120.400 -0.071 0.000 2.032 864 K HA -0.454 nan 4.320 nan 0.000 0.209 864 K C 2.084 178.739 176.600 0.092 0.000 1.048 864 K CA 3.679 59.946 56.287 -0.034 0.000 0.927 864 K CB -0.493 31.969 32.500 -0.064 0.000 0.712 864 K HN -0.082 7.930 8.250 -0.100 0.178 0.441 865 E N -2.294 117.942 120.200 0.060 0.000 2.051 865 E HA -0.317 nan 4.350 nan 0.000 0.192 865 E C 2.770 179.425 176.600 0.092 0.000 0.991 865 E CA 2.599 59.038 56.400 0.065 0.000 0.799 865 E CB -0.847 28.874 29.700 0.035 0.000 0.748 865 E HN -0.248 8.129 8.360 0.027 0.000 0.449 866 E N -0.708 119.560 120.200 0.114 0.000 2.209 866 E HA -0.270 nan 4.350 nan 0.000 0.196 866 E C 2.592 179.297 176.600 0.175 0.000 0.993 866 E CA 2.560 59.036 56.400 0.126 0.000 0.819 866 E CB -0.484 29.298 29.700 0.136 0.000 0.745 866 E HN -0.728 7.692 8.360 0.099 0.000 0.477 867 F N -0.834 119.115 119.950 -0.003 0.000 2.146 867 F HA -0.212 nan 4.527 nan 0.000 0.298 867 F C 2.151 177.949 175.800 -0.002 0.000 1.096 867 F CA 3.421 61.420 58.000 -0.002 0.000 1.275 867 F CB -0.256 38.743 39.000 -0.003 0.000 1.008 867 F HN 0.219 8.509 8.300 0.393 0.246 0.480 868 T N -1.359 113.288 114.554 0.156 0.000 2.812 868 T HA -0.247 nan 4.350 nan 0.000 0.264 868 T C 2.225 176.941 174.700 0.026 0.000 1.042 868 T CA 3.522 65.663 62.100 0.068 0.000 1.140 868 T CB -0.555 68.352 68.868 0.065 0.000 0.870 868 T HN -0.126 8.228 8.240 0.191 0.000 0.445 869 R N 1.960 122.480 120.500 0.033 0.000 2.200 869 R HA -0.261 nan 4.340 nan 0.000 0.234 869 R C 2.109 178.400 176.300 -0.015 0.000 1.127 869 R CA 2.926 59.033 56.100 0.012 0.000 0.989 869 R CB -0.415 29.898 30.300 0.022 0.000 0.869 869 R HN -0.092 8.213 8.270 0.058 0.000 0.459 870 L N -1.935 119.262 121.223 -0.044 0.000 2.130 870 L HA -0.091 nan 4.340 nan 0.000 0.200 870 L C 1.203 178.015 176.870 -0.096 0.000 1.075 870 L CA 2.101 56.886 54.840 -0.091 0.000 0.768 870 L CB 0.064 42.023 42.059 -0.166 0.000 0.933 870 L HN 0.039 8.045 8.230 -0.034 0.204 0.451 871 K N -0.271 120.063 120.400 -0.110 0.000 2.000 871 K HA -0.495 nan 4.320 nan 0.000 0.218 871 K C 2.260 178.835 176.600 -0.041 0.000 1.053 871 K CA 3.886 60.127 56.287 -0.077 0.000 0.946 871 K CB -0.343 32.126 32.500 -0.052 0.000 0.723 871 K HN -0.149 8.018 8.250 -0.138 0.000 0.446 872 E N -1.913 118.273 120.200 -0.023 0.000 2.070 872 E HA -0.389 nan 4.350 nan 0.000 0.197 872 E C 2.241 178.832 176.600 -0.016 0.000 1.004 872 E CA 2.992 59.384 56.400 -0.013 0.000 0.805 872 E CB -0.276 29.422 29.700 -0.003 0.000 0.744 872 E HN -0.031 8.319 8.360 -0.018 0.000 0.451 873 A N -1.717 121.092 122.820 -0.019 0.000 1.930 873 A HA -0.160 nan 4.320 nan 0.000 0.217 873 A C 1.764 179.336 177.584 -0.021 0.000 1.175 873 A CA 2.437 54.464 52.037 -0.018 0.000 0.627 873 A CB -0.685 18.304 19.000 -0.018 0.000 0.815 873 A HN -0.345 7.791 8.150 -0.022 0.000 0.443 874 L N -1.461 119.744 121.223 -0.030 0.000 1.943 874 L HA -0.313 nan 4.340 nan 0.000 0.215 874 L C 1.963 178.818 176.870 -0.024 0.000 1.074 874 L CA 2.614 57.435 54.840 -0.031 0.000 0.759 874 L CB -0.424 41.608 42.059 -0.045 0.000 0.888 874 L HN -0.660 7.548 8.230 -0.037 0.000 0.433 875 E N -0.663 119.523 120.200 -0.023 0.000 2.065 875 E HA -0.485 nan 4.350 nan 0.000 0.201 875 E C 2.529 179.122 176.600 -0.012 0.000 1.016 875 E CA 3.296 59.686 56.400 -0.017 0.000 0.818 875 E CB -0.114 29.577 29.700 -0.015 0.000 0.749 875 E HN -0.332 8.012 8.360 -0.027 0.000 0.453 876 K N -2.843 117.551 120.400 -0.011 0.000 2.360 876 K HA -0.275 nan 4.320 nan 0.000 0.201 876 K C 2.147 178.742 176.600 -0.008 0.000 1.046 876 K CA 2.213 58.495 56.287 -0.008 0.000 0.945 876 K CB -0.210 32.286 32.500 -0.006 0.000 0.750 876 K HN -0.288 7.955 8.250 -0.012 0.000 0.464 877 S N -1.649 114.045 115.700 -0.010 0.000 2.496 877 S HA -0.146 nan 4.470 nan 0.000 0.224 877 S C 1.649 176.243 174.600 -0.009 0.000 0.996 877 S CA 1.953 60.148 58.200 -0.010 0.000 0.927 877 S CB -0.078 63.115 63.200 -0.012 0.000 0.774 877 S HN -0.162 7.961 8.310 -0.013 0.180 0.524 878 E N 0.716 120.911 120.200 -0.009 0.000 2.047 878 E HA -0.273 nan 4.350 nan 0.000 0.191 878 E C 1.726 178.323 176.600 -0.006 0.000 0.987 878 E CA 2.720 59.115 56.400 -0.007 0.000 0.799 878 E CB -0.182 29.513 29.700 -0.008 0.000 0.752 878 E HN -0.670 7.684 8.360 -0.010 0.000 0.449 879 A N -2.160 120.657 122.820 -0.005 0.000 2.014 879 A HA -0.111 nan 4.320 nan 0.000 0.218 879 A C 2.320 179.902 177.584 -0.003 0.000 1.163 879 A CA 2.508 54.543 52.037 -0.004 0.000 0.652 879 A CB -0.571 18.428 19.000 -0.003 0.000 0.808 879 A HN 0.023 8.170 8.150 -0.005 0.000 0.449 880 R N -1.629 118.869 120.500 -0.003 0.000 2.090 880 R HA -0.229 nan 4.340 nan 0.000 0.228 880 R C 1.410 177.708 176.300 -0.003 0.000 1.110 880 R CA 1.893 57.991 56.100 -0.003 0.000 0.973 880 R CB -0.307 29.991 30.300 -0.003 0.000 0.869 880 R HN 0.178 8.446 8.270 -0.004 0.000 0.440 881 R N -0.525 119.973 120.500 -0.004 0.000 2.061 881 R HA -0.314 nan 4.340 nan 0.000 0.230 881 R C 2.208 178.506 176.300 -0.003 0.000 1.140 881 R CA 3.321 59.419 56.100 -0.004 0.000 0.940 881 R CB -0.252 30.045 30.300 -0.005 0.000 0.839 881 R HN -0.484 7.654 8.270 -0.004 0.130 0.429 882 K N -2.582 117.816 120.400 -0.003 0.000 2.103 882 K HA -0.270 nan 4.320 nan 0.000 0.207 882 K C 2.615 179.213 176.600 -0.002 0.000 1.048 882 K CA 2.491 58.776 56.287 -0.003 0.000 0.930 882 K CB -0.571 31.928 32.500 -0.003 0.000 0.716 882 K HN -0.530 7.718 8.250 -0.004 0.000 0.444 883 E N -1.160 119.039 120.200 -0.002 0.000 2.072 883 E HA -0.195 nan 4.350 nan 0.000 0.190 883 E C 2.301 178.900 176.600 -0.001 0.000 0.982 883 E CA 1.955 58.354 56.400 -0.001 0.000 0.803 883 E CB -0.059 29.640 29.700 -0.001 0.000 0.755 883 E HN -0.800 7.551 8.360 -0.002 0.007 0.453 884 L N -0.662 120.560 121.223 -0.002 0.000 2.013 884 L HA -0.498 nan 4.340 nan 0.000 0.212 884 L C 2.004 178.873 176.870 -0.001 0.000 1.073 884 L CA 3.515 58.354 54.840 -0.001 0.000 0.753 884 L CB -0.453 41.605 42.059 -0.002 0.000 0.890 884 L HN -0.002 8.227 8.230 -0.002 0.000 0.432 885 E N -2.661 117.538 120.200 -0.002 0.000 2.108 885 E HA -0.494 nan 4.350 nan 0.000 0.203 885 E C 2.604 179.203 176.600 -0.001 0.000 1.022 885 E CA 3.137 59.536 56.400 -0.001 0.000 0.823 885 E CB -0.430 29.269 29.700 -0.002 0.000 0.744 885 E HN -0.521 7.838 8.360 -0.002 0.000 0.456 886 E N -1.409 118.790 120.200 -0.001 0.000 2.086 886 E HA -0.183 nan 4.350 nan 0.000 0.190 886 E C 2.294 178.894 176.600 -0.001 0.000 0.975 886 E CA 2.155 58.554 56.400 -0.001 0.000 0.813 886 E CB -0.053 29.646 29.700 -0.001 0.000 0.768 886 E HN -0.584 7.636 8.360 -0.001 0.140 0.457 887 K N -0.794 119.606 120.400 -0.001 0.000 2.103 887 K HA -0.278 nan 4.320 nan 0.000 0.207 887 K C 2.685 179.285 176.600 -0.000 0.000 1.048 887 K CA 2.321 58.608 56.287 -0.000 0.000 0.930 887 K CB -0.543 31.957 32.500 -0.000 0.000 0.716 887 K HN -0.467 7.783 8.250 -0.001 0.000 0.444 888 M N -1.327 118.273 119.600 -0.001 0.000 2.144 888 M HA -0.390 nan 4.480 nan 0.000 0.260 888 M C 2.123 178.422 176.300 -0.000 0.000 1.067 888 M CA 3.975 59.275 55.300 -0.001 0.000 1.095 888 M CB -0.248 32.352 32.600 -0.001 0.000 1.365 888 M HN -0.334 7.955 8.290 -0.001 0.000 0.406 889 V N -0.934 118.979 119.914 -0.001 0.000 2.427 889 V HA -0.447 nan 4.120 nan 0.000 0.248 889 V C 1.969 178.063 176.094 -0.000 0.000 1.051 889 V CA 3.670 65.970 62.300 -0.000 0.000 1.048 889 V CB -1.371 30.452 31.823 -0.001 0.000 0.666 889 V HN -0.219 7.868 8.190 -0.001 0.102 0.456 890 S N 0.324 116.024 115.700 -0.000 0.000 2.382 890 S HA -0.330 nan 4.470 nan 0.000 0.228 890 S C 1.829 176.429 174.600 -0.000 0.000 1.027 890 S CA 3.990 62.190 58.200 -0.000 0.000 0.991 890 S CB -0.170 63.030 63.200 -0.000 0.000 0.823 890 S HN -0.649 7.577 8.310 -0.000 0.084 0.469 891 L N 0.505 121.728 121.223 -0.000 0.000 2.201 891 L HA -0.286 nan 4.340 nan 0.000 0.212 891 L C 1.893 178.763 176.870 -0.000 0.000 1.105 891 L CA 2.615 57.455 54.840 -0.000 0.000 0.775 891 L CB -0.336 41.723 42.059 -0.000 0.000 0.913 891 L HN 0.044 8.274 8.230 -0.000 0.000 0.440 892 L N -1.549 119.674 121.223 -0.000 0.000 2.141 892 L HA -0.309 nan 4.340 nan 0.000 0.209 892 L C 1.162 178.032 176.870 -0.000 0.000 1.094 892 L CA 3.059 57.899 54.840 -0.000 0.000 0.763 892 L CB -0.391 41.668 42.059 -0.000 0.000 0.908 892 L HN 0.161 8.305 8.230 -0.000 0.086 0.437 893 Q N -1.729 118.070 119.800 -0.000 0.000 2.046 893 Q HA -0.403 nan 4.340 nan 0.000 0.200 893 Q C 2.518 178.518 176.000 -0.000 0.000 0.975 893 Q CA 3.434 59.237 55.803 -0.000 0.000 0.836 893 Q CB -0.338 28.400 28.738 -0.000 0.000 0.896 893 Q HN -0.559 7.592 8.270 -0.000 0.119 0.428 894 E N -0.828 119.372 120.200 -0.000 0.000 2.110 894 E HA -0.364 nan 4.350 nan 0.000 0.193 894 E C 1.988 178.588 176.600 0.000 0.000 0.988 894 E CA 2.753 59.153 56.400 0.000 0.000 0.804 894 E CB -0.361 29.339 29.700 0.000 0.000 0.745 894 E HN -0.487 7.873 8.360 -0.000 0.000 0.458 895 K N -0.379 120.021 120.400 0.000 0.000 2.032 895 K HA -0.410 nan 4.320 nan 0.000 0.209 895 K C 2.236 178.836 176.600 0.000 0.000 1.048 895 K CA 3.355 59.642 56.287 0.000 0.000 0.927 895 K CB -0.236 32.264 32.500 0.000 0.000 0.712 895 K HN -0.132 7.938 8.250 0.000 0.181 0.441 896 N N -1.169 117.531 118.700 0.000 0.000 2.106 896 N HA -0.261 nan 4.740 nan 0.000 0.188 896 N C 2.283 177.793 175.510 0.000 0.000 1.029 896 N CA 2.943 55.993 53.050 0.000 0.000 0.848 896 N CB -0.691 37.796 38.487 -0.000 0.000 1.007 896 N HN -0.595 7.785 8.380 -0.000 0.000 0.423 897 D N 1.305 121.705 120.400 0.000 0.000 2.149 897 D HA -0.241 nan 4.640 nan 0.000 0.198 897 D C 2.541 178.841 176.300 0.000 0.000 0.990 897 D CA 3.302 57.302 54.000 0.000 0.000 0.839 897 D CB -0.257 40.543 40.800 0.000 0.000 0.948 897 D HN -0.753 7.617 8.370 0.000 0.000 0.460 898 L N -0.887 120.336 121.223 0.000 0.000 2.046 898 L HA -0.468 nan 4.340 nan 0.000 0.208 898 L C 2.119 178.990 176.870 0.000 0.000 1.077 898 L CA 3.357 58.197 54.840 0.000 0.000 0.747 898 L CB -0.194 41.866 42.059 0.000 0.000 0.896 898 L HN 0.271 8.501 8.230 0.000 0.000 0.432 899 Q N -1.278 118.522 119.800 0.000 0.000 2.167 899 Q HA -0.324 nan 4.340 nan 0.000 0.202 899 Q C 2.787 178.787 176.000 0.000 0.000 0.970 899 Q CA 3.170 58.974 55.803 0.000 0.000 0.855 899 Q CB -0.174 28.564 28.738 0.000 0.000 0.911 899 Q HN -0.600 7.670 8.270 0.000 0.000 0.438 900 L N 0.538 121.761 121.223 0.000 0.000 2.083 900 L HA -0.333 nan 4.340 nan 0.000 0.209 900 L C 1.461 178.332 176.870 0.000 0.000 1.083 900 L CA 3.277 58.117 54.840 0.000 0.000 0.752 900 L CB -0.277 41.782 42.059 0.000 0.000 0.899 900 L HN 0.368 8.527 8.230 0.000 0.071 0.433 901 Q N -0.575 119.225 119.800 0.000 0.000 2.083 901 Q HA -0.300 nan 4.340 nan 0.000 0.198 901 Q C 2.390 178.390 176.000 0.001 0.000 0.969 901 Q CA 3.550 59.353 55.803 0.000 0.000 0.838 901 Q CB 0.316 29.054 28.738 0.001 0.000 0.900 901 Q HN -0.007 8.183 8.270 0.000 0.080 0.436 902 V N 1.209 121.124 119.914 0.001 0.000 2.278 902 V HA -0.538 nan 4.120 nan 0.000 0.251 902 V C 2.119 178.214 176.094 0.001 0.000 1.062 902 V CA 4.435 66.736 62.300 0.001 0.000 1.038 902 V CB -0.772 31.051 31.823 0.001 0.000 0.646 902 V HN 0.527 8.608 8.190 0.001 0.109 0.447 903 Q N -0.507 119.293 119.800 0.000 0.000 2.061 903 Q HA -0.378 nan 4.340 nan 0.000 0.204 903 Q C 2.035 178.036 176.000 0.000 0.000 0.984 903 Q CA 2.884 58.687 55.803 0.000 0.000 0.846 903 Q CB -0.733 28.005 28.738 0.000 0.000 0.902 903 Q HN 0.230 8.389 8.270 0.000 0.111 0.421 904 A N -0.953 121.867 122.820 0.000 0.000 1.902 904 A HA -0.269 nan 4.320 nan 0.000 0.217 904 A C 2.357 179.942 177.584 0.001 0.000 1.181 904 A CA 3.204 55.242 52.037 0.000 0.000 0.623 904 A CB -0.907 18.093 19.000 0.000 0.000 0.818 904 A HN -0.161 7.919 8.150 0.000 0.070 0.443 905 E N -1.834 118.366 120.200 0.001 0.000 2.107 905 E HA -0.300 nan 4.350 nan 0.000 0.191 905 E C 2.775 179.376 176.600 0.001 0.000 0.982 905 E CA 2.938 59.339 56.400 0.001 0.000 0.809 905 E CB -0.435 29.265 29.700 0.001 0.000 0.756 905 E HN 0.270 8.535 8.360 0.001 0.096 0.459 906 Q N -0.820 118.981 119.800 0.001 0.000 2.170 906 Q HA -0.327 nan 4.340 nan 0.000 0.203 906 Q C 2.616 178.616 176.000 0.001 0.000 0.976 906 Q CA 2.987 58.790 55.803 0.001 0.000 0.858 906 Q CB -0.237 28.502 28.738 0.001 0.000 0.907 906 Q HN -0.285 7.985 8.270 0.001 0.000 0.433 907 D N 0.792 121.192 120.400 0.001 0.000 2.077 907 D HA -0.281 nan 4.640 nan 0.000 0.193 907 D C 2.106 178.406 176.300 0.001 0.000 0.989 907 D CA 3.331 57.332 54.000 0.001 0.000 0.831 907 D CB -0.451 40.349 40.800 0.000 0.000 0.979 907 D HN -0.245 8.039 8.370 0.001 0.086 0.449 908 N N 0.505 119.205 118.700 0.001 0.000 2.061 908 N HA -0.358 nan 4.740 nan 0.000 0.193 908 N C 2.506 178.017 175.510 0.001 0.000 1.030 908 N CA 2.729 55.779 53.050 0.001 0.000 0.856 908 N CB -0.373 38.115 38.487 0.001 0.000 1.023 908 N HN 0.098 8.479 8.380 0.001 0.000 0.424 909 L N 0.593 121.817 121.223 0.001 0.000 1.963 909 L HA -0.398 nan 4.340 nan 0.000 0.220 909 L C 1.160 178.031 176.870 0.001 0.000 1.076 909 L CA 3.540 58.380 54.840 0.001 0.000 0.772 909 L CB -0.544 41.516 42.059 0.001 0.000 0.892 909 L HN 0.295 8.526 8.230 0.001 0.000 0.435 910 A N -2.095 120.726 122.820 0.001 0.000 1.892 910 A HA -0.536 nan 4.320 nan 0.000 0.218 910 A C 1.864 179.448 177.584 0.001 0.000 1.188 910 A CA 3.392 55.429 52.037 0.001 0.000 0.631 910 A CB -1.288 17.712 19.000 0.001 0.000 0.822 910 A HN -0.452 7.698 8.150 0.001 0.000 0.447 911 D N -0.798 119.603 120.400 0.001 0.000 2.154 911 D HA -0.454 nan 4.640 nan 0.000 0.190 911 D C 2.844 179.144 176.300 0.001 0.000 1.003 911 D CA 4.020 58.020 54.000 0.001 0.000 0.849 911 D CB -0.295 40.505 40.800 0.001 0.000 0.942 911 D HN 0.089 8.459 8.370 0.001 0.000 0.446 912 A N -1.265 121.555 122.820 0.001 0.000 1.897 912 A HA -0.230 nan 4.320 nan 0.000 0.215 912 A C 2.067 179.651 177.584 0.001 0.000 1.181 912 A CA 2.834 54.872 52.037 0.001 0.000 0.620 912 A CB -0.574 18.426 19.000 0.001 0.000 0.821 912 A HN -0.004 8.068 8.150 0.001 0.079 0.443 913 E N -1.269 118.931 120.200 0.001 0.000 2.023 913 E HA -0.417 nan 4.350 nan 0.000 0.196 913 E C 2.273 178.873 176.600 0.001 0.000 1.003 913 E CA 2.875 59.276 56.400 0.001 0.000 0.809 913 E CB -0.643 29.057 29.700 0.001 0.000 0.755 913 E HN 0.333 8.580 8.360 0.001 0.114 0.449 914 E N -0.838 119.363 120.200 0.001 0.000 2.130 914 E HA -0.395 nan 4.350 nan 0.000 0.196 914 E C 2.740 179.340 176.600 0.000 0.000 0.998 914 E CA 3.004 59.405 56.400 0.000 0.000 0.806 914 E CB -0.126 29.574 29.700 0.000 0.000 0.738 914 E HN 0.131 8.491 8.360 0.001 0.000 0.459 915 R N -1.271 119.229 120.500 0.001 0.000 2.073 915 R HA -0.218 nan 4.340 nan 0.000 0.229 915 R C 2.566 178.867 176.300 0.001 0.000 1.120 915 R CA 3.052 59.152 56.100 0.001 0.000 0.967 915 R CB -0.063 30.237 30.300 0.001 0.000 0.862 915 R HN -0.647 7.604 8.270 0.001 0.020 0.436 916 C N 0.750 120.050 119.300 0.001 0.000 2.462 916 C HA -0.275 nan 4.460 nan 0.000 0.278 916 C C 1.672 176.663 174.990 0.001 0.000 1.253 916 C CA 4.560 63.579 59.018 0.001 0.000 1.713 916 C CB -1.867 25.874 27.740 0.001 0.000 2.049 916 C HN 0.595 8.650 8.230 0.001 0.176 0.477 917 D N -0.118 120.282 120.400 0.000 0.000 2.200 917 D HA -0.418 nan 4.640 nan 0.000 0.192 917 D C 2.801 179.101 176.300 0.000 0.000 1.008 917 D CA 4.191 58.191 54.000 0.000 0.000 0.872 917 D CB -0.382 40.418 40.800 0.000 0.000 0.923 917 D HN 0.290 8.569 8.370 0.001 0.091 0.447 918 Q N 0.257 120.057 119.800 0.000 0.000 2.020 918 Q HA -0.216 nan 4.340 nan 0.000 0.202 918 Q C 2.269 178.269 176.000 -0.000 0.000 0.982 918 Q CA 2.644 58.447 55.803 -0.000 0.000 0.838 918 Q CB -0.235 28.503 28.738 -0.000 0.000 0.899 918 Q HN -0.351 7.919 8.270 0.000 0.000 0.423 919 L N -0.882 120.341 121.223 0.000 0.000 2.083 919 L HA -0.374 nan 4.340 nan 0.000 0.209 919 L C 2.452 179.322 176.870 -0.000 0.000 1.083 919 L CA 2.999 57.839 54.840 0.000 0.000 0.752 919 L CB -0.239 41.820 42.059 0.000 0.000 0.899 919 L HN -0.291 7.939 8.230 0.000 0.000 0.433 920 I N -0.951 119.619 120.570 0.000 0.000 2.127 920 I HA -0.648 nan 4.170 nan 0.000 0.241 920 I C 1.771 177.888 176.117 -0.001 0.000 1.075 920 I CA 4.510 65.810 61.300 -0.000 0.000 1.334 920 I CB -0.519 37.481 38.000 -0.000 0.000 1.040 920 I HN 0.502 8.712 8.210 0.000 0.000 0.405 921 K N -1.828 118.571 120.400 -0.001 0.000 2.155 921 K HA -0.353 nan 4.320 nan 0.000 0.203 921 K C 2.391 178.990 176.600 -0.001 0.000 1.052 921 K CA 3.316 59.602 56.287 -0.001 0.000 0.948 921 K CB -0.356 32.144 32.500 -0.001 0.000 0.728 921 K HN -0.614 7.636 8.250 -0.000 0.000 0.448 922 N N -0.292 118.407 118.700 -0.001 0.000 2.270 922 N HA -0.246 nan 4.740 nan 0.000 0.181 922 N C 1.750 177.259 175.510 -0.001 0.000 1.016 922 N CA 3.058 56.108 53.050 -0.001 0.000 0.870 922 N CB 0.079 38.566 38.487 -0.001 0.000 0.979 922 N HN 0.235 8.615 8.380 -0.001 0.000 0.431 923 K N 0.584 120.983 120.400 -0.001 0.000 2.009 923 K HA -0.307 nan 4.320 nan 0.000 0.210 923 K C 2.125 178.724 176.600 -0.002 0.000 1.049 923 K CA 2.869 59.156 56.287 -0.001 0.000 0.929 923 K CB -0.326 32.173 32.500 -0.001 0.000 0.714 923 K HN -0.238 7.829 8.250 -0.001 0.182 0.440 924 I N -0.824 119.745 120.570 -0.002 0.000 2.091 924 I HA -0.624 nan 4.170 nan 0.000 0.239 924 I C 1.878 177.994 176.117 -0.002 0.000 1.061 924 I CA 4.074 65.373 61.300 -0.002 0.000 1.317 924 I CB -0.283 37.716 38.000 -0.002 0.000 1.031 924 I HN -0.423 7.786 8.210 -0.001 0.000 0.401 925 Q N -0.467 119.332 119.800 -0.002 0.000 2.096 925 Q HA -0.347 nan 4.340 nan 0.000 0.204 925 Q C 2.777 178.776 176.000 -0.002 0.000 0.982 925 Q CA 3.406 59.208 55.803 -0.002 0.000 0.850 925 Q CB -0.018 28.719 28.738 -0.002 0.000 0.901 925 Q HN -0.586 7.683 8.270 -0.002 0.000 0.422 926 L N -1.455 119.766 121.223 -0.002 0.000 2.141 926 L HA -0.359 nan 4.340 nan 0.000 0.209 926 L C 2.428 179.296 176.870 -0.003 0.000 1.094 926 L CA 2.770 57.609 54.840 -0.002 0.000 0.763 926 L CB -0.337 41.721 42.059 -0.002 0.000 0.908 926 L HN 0.333 8.360 8.230 -0.002 0.202 0.437 927 E N -1.054 119.145 120.200 -0.003 0.000 2.152 927 E HA -0.295 nan 4.350 nan 0.000 0.192 927 E C 2.306 178.904 176.600 -0.003 0.000 0.983 927 E CA 2.984 59.382 56.400 -0.003 0.000 0.818 927 E CB -0.484 29.214 29.700 -0.003 0.000 0.758 927 E HN 0.295 8.570 8.360 -0.002 0.083 0.467 928 A N 0.211 123.029 122.820 -0.003 0.000 1.930 928 A HA -0.249 nan 4.320 nan 0.000 0.217 928 A C 1.690 179.272 177.584 -0.003 0.000 1.175 928 A CA 3.243 55.279 52.037 -0.003 0.000 0.627 928 A CB -0.730 18.268 19.000 -0.003 0.000 0.815 928 A HN -0.125 7.931 8.150 -0.003 0.093 0.443 929 K N -1.643 118.755 120.400 -0.003 0.000 2.057 929 K HA -0.262 nan 4.320 nan 0.000 0.206 929 K C 2.420 179.018 176.600 -0.004 0.000 1.050 929 K CA 3.193 59.478 56.287 -0.003 0.000 0.935 929 K CB 0.111 32.609 32.500 -0.003 0.000 0.715 929 K HN -0.388 7.860 8.250 -0.003 0.000 0.439 930 V N 0.005 119.916 119.914 -0.004 0.000 2.287 930 V HA -0.460 nan 4.120 nan 0.000 0.248 930 V C 1.720 177.812 176.094 -0.005 0.000 1.053 930 V CA 4.381 66.678 62.300 -0.004 0.000 1.027 930 V CB -0.629 31.192 31.823 -0.004 0.000 0.646 930 V HN 0.141 8.159 8.190 -0.003 0.170 0.447 931 K N -0.419 119.979 120.400 -0.005 0.000 1.984 931 K HA -0.365 nan 4.320 nan 0.000 0.209 931 K C 1.678 178.275 176.600 -0.005 0.000 1.046 931 K CA 3.746 60.030 56.287 -0.005 0.000 0.934 931 K CB -0.099 32.398 32.500 -0.005 0.000 0.717 931 K HN 0.034 8.082 8.250 -0.004 0.199 0.438 932 E N -1.620 118.577 120.200 -0.004 0.000 2.265 932 E HA -0.258 nan 4.350 nan 0.000 0.196 932 E C 2.562 179.159 176.600 -0.005 0.000 0.996 932 E CA 2.516 58.913 56.400 -0.004 0.000 0.832 932 E CB -1.150 28.548 29.700 -0.004 0.000 0.756 932 E HN -0.291 8.067 8.360 -0.004 0.000 0.491 933 M N -0.201 119.396 119.600 -0.005 0.000 2.193 933 M HA -0.322 nan 4.480 nan 0.000 0.265 933 M C 2.034 178.331 176.300 -0.006 0.000 1.071 933 M CA 4.070 59.367 55.300 -0.005 0.000 1.140 933 M CB -0.187 32.410 32.600 -0.005 0.000 1.369 933 M HN -0.745 7.521 8.290 -0.005 0.020 0.423 934 N N 0.231 118.927 118.700 -0.006 0.000 2.043 934 N HA -0.365 nan 4.740 nan 0.000 0.193 934 N C 2.272 177.778 175.510 -0.007 0.000 1.037 934 N CA 3.669 56.715 53.050 -0.007 0.000 0.851 934 N CB -0.498 37.984 38.487 -0.007 0.000 1.027 934 N HN -0.328 8.049 8.380 -0.006 0.000 0.422 935 E N 0.675 120.871 120.200 -0.006 0.000 2.023 935 E HA -0.402 nan 4.350 nan 0.000 0.196 935 E C 2.543 179.139 176.600 -0.006 0.000 1.003 935 E CA 3.237 59.633 56.400 -0.006 0.000 0.809 935 E CB -0.188 29.509 29.700 -0.006 0.000 0.755 935 E HN 0.057 8.413 8.360 -0.006 0.000 0.449 936 R N -1.256 119.240 120.500 -0.005 0.000 2.127 936 R HA -0.297 nan 4.340 nan 0.000 0.238 936 R C 2.604 178.900 176.300 -0.006 0.000 1.134 936 R CA 2.989 59.086 56.100 -0.005 0.000 0.975 936 R CB -0.128 30.169 30.300 -0.005 0.000 0.865 936 R HN -0.135 8.017 8.270 -0.005 0.115 0.447 937 L N -0.329 120.891 121.223 -0.006 0.000 2.013 937 L HA -0.486 nan 4.340 nan 0.000 0.212 937 L C 1.762 178.628 176.870 -0.007 0.000 1.073 937 L CA 3.363 58.199 54.840 -0.006 0.000 0.753 937 L CB -0.554 41.501 42.059 -0.007 0.000 0.890 937 L HN 0.216 8.434 8.230 -0.006 0.008 0.432 938 E N -1.203 118.993 120.200 -0.007 0.000 2.130 938 E HA -0.475 nan 4.350 nan 0.000 0.196 938 E C 2.648 179.244 176.600 -0.007 0.000 0.998 938 E CA 3.483 59.878 56.400 -0.007 0.000 0.806 938 E CB -0.444 29.252 29.700 -0.007 0.000 0.738 938 E HN -0.324 8.031 8.360 -0.007 0.000 0.459 939 D N -0.212 120.184 120.400 -0.006 0.000 2.084 939 D HA -0.275 nan 4.640 nan 0.000 0.194 939 D C 2.524 178.821 176.300 -0.006 0.000 0.990 939 D CA 3.833 57.830 54.000 -0.006 0.000 0.826 939 D CB -0.259 40.537 40.800 -0.005 0.000 0.971 939 D HN -0.565 7.725 8.370 -0.006 0.076 0.453 940 E N -0.484 119.713 120.200 -0.006 0.000 2.031 940 E HA -0.334 nan 4.350 nan 0.000 0.193 940 E C 2.613 179.209 176.600 -0.006 0.000 0.994 940 E CA 2.955 59.352 56.400 -0.006 0.000 0.800 940 E CB -0.305 29.391 29.700 -0.006 0.000 0.752 940 E HN -0.220 8.137 8.360 -0.006 0.000 0.447 941 E N -0.920 119.276 120.200 -0.007 0.000 2.160 941 E HA -0.342 nan 4.350 nan 0.000 0.195 941 E C 2.844 179.440 176.600 -0.007 0.000 0.991 941 E CA 3.045 59.441 56.400 -0.007 0.000 0.810 941 E CB -0.241 29.454 29.700 -0.008 0.000 0.742 941 E HN 0.348 8.704 8.360 -0.007 0.000 0.466 942 E N -0.570 119.626 120.200 -0.007 0.000 2.112 942 E HA -0.220 nan 4.350 nan 0.000 0.190 942 E C 2.385 178.981 176.600 -0.006 0.000 0.979 942 E CA 2.506 58.902 56.400 -0.007 0.000 0.814 942 E CB -0.081 29.615 29.700 -0.007 0.000 0.762 942 E HN -0.661 7.687 8.360 -0.007 0.008 0.460 943 M N 0.296 119.893 119.600 -0.006 0.000 2.080 943 M HA -0.508 nan 4.480 nan 0.000 0.260 943 M C 2.228 178.525 176.300 -0.006 0.000 1.068 943 M CA 4.516 59.813 55.300 -0.006 0.000 1.109 943 M CB -0.237 32.359 32.600 -0.005 0.000 1.342 943 M HN -0.159 8.128 8.290 -0.006 0.000 0.405 944 N N -0.923 117.773 118.700 -0.006 0.000 2.188 944 N HA -0.272 nan 4.740 nan 0.000 0.184 944 N C 1.887 177.393 175.510 -0.007 0.000 1.018 944 N CA 3.388 56.435 53.050 -0.006 0.000 0.858 944 N CB -0.087 38.397 38.487 -0.006 0.000 0.989 944 N HN -0.054 8.322 8.380 -0.006 0.000 0.426 945 A N 0.428 123.243 122.820 -0.007 0.000 1.883 945 A HA -0.303 nan 4.320 nan 0.000 0.217 945 A C 2.161 179.740 177.584 -0.007 0.000 1.186 945 A CA 3.202 55.234 52.037 -0.008 0.000 0.624 945 A CB -0.804 18.191 19.000 -0.008 0.000 0.822 945 A HN 0.248 8.215 8.150 -0.007 0.179 0.444 946 E N -1.044 119.152 120.200 -0.007 0.000 2.058 946 E HA -0.394 nan 4.350 nan 0.000 0.194 946 E C 2.490 179.087 176.600 -0.006 0.000 0.997 946 E CA 3.057 59.454 56.400 -0.006 0.000 0.801 946 E CB -0.146 29.550 29.700 -0.006 0.000 0.746 946 E HN -0.234 8.122 8.360 -0.006 0.000 0.450 947 L N -1.956 119.264 121.223 -0.006 0.000 2.083 947 L HA -0.360 nan 4.340 nan 0.000 0.209 947 L C 2.611 179.478 176.870 -0.005 0.000 1.083 947 L CA 3.129 57.965 54.840 -0.005 0.000 0.752 947 L CB -0.404 41.652 42.059 -0.005 0.000 0.899 947 L HN -0.084 8.143 8.230 -0.006 0.000 0.433 948 T N 0.826 115.376 114.554 -0.006 0.000 2.904 948 T HA -0.230 nan 4.350 nan 0.000 0.267 948 T C 1.612 176.308 174.700 -0.006 0.000 1.059 948 T CA 4.756 66.852 62.100 -0.006 0.000 1.137 948 T CB -0.640 68.224 68.868 -0.007 0.000 0.879 948 T HN -0.398 7.838 8.240 -0.006 0.000 0.467 949 A N 1.926 124.742 122.820 -0.006 0.000 1.898 949 A HA -0.232 nan 4.320 nan 0.000 0.216 949 A C 1.729 179.310 177.584 -0.006 0.000 1.181 949 A CA 3.245 55.278 52.037 -0.006 0.000 0.620 949 A CB -0.759 18.237 19.000 -0.007 0.000 0.819 949 A HN -0.297 7.773 8.150 -0.006 0.076 0.442 950 K N -1.915 118.481 120.400 -0.005 0.000 2.057 950 K HA -0.376 nan 4.320 nan 0.000 0.207 950 K C 2.154 178.751 176.600 -0.005 0.000 1.049 950 K CA 3.341 59.626 56.287 -0.005 0.000 0.931 950 K CB -0.190 32.307 32.500 -0.005 0.000 0.714 950 K HN 0.215 8.462 8.250 -0.005 0.000 0.440 951 K N -0.991 119.406 120.400 -0.005 0.000 2.057 951 K HA -0.365 nan 4.320 nan 0.000 0.207 951 K C 2.303 178.900 176.600 -0.005 0.000 1.049 951 K CA 3.104 59.388 56.287 -0.005 0.000 0.931 951 K CB -0.103 32.395 32.500 -0.005 0.000 0.714 951 K HN -0.096 7.969 8.250 -0.005 0.182 0.440 952 R N -1.887 118.610 120.500 -0.005 0.000 2.097 952 R HA -0.351 nan 4.340 nan 0.000 0.236 952 R C 2.180 178.477 176.300 -0.005 0.000 1.135 952 R CA 2.782 58.879 56.100 -0.005 0.000 0.934 952 R CB -0.704 29.592 30.300 -0.006 0.000 0.846 952 R HN -0.154 8.113 8.270 -0.005 0.000 0.431 953 K N -0.195 120.202 120.400 -0.005 0.000 2.147 953 K HA -0.222 nan 4.320 nan 0.000 0.205 953 K C 2.645 179.242 176.600 -0.004 0.000 1.049 953 K CA 3.129 59.413 56.287 -0.004 0.000 0.936 953 K CB -0.325 32.172 32.500 -0.004 0.000 0.722 953 K HN -0.742 7.505 8.250 -0.005 0.000 0.446 954 L N -1.980 119.240 121.223 -0.004 0.000 2.156 954 L HA -0.351 nan 4.340 nan 0.000 0.208 954 L C 2.144 179.012 176.870 -0.003 0.000 1.095 954 L CA 2.889 57.727 54.840 -0.003 0.000 0.770 954 L CB -0.253 41.804 42.059 -0.003 0.000 0.914 954 L HN -0.579 7.631 8.230 -0.004 0.018 0.439 955 E N 0.559 120.757 120.200 -0.003 0.000 2.031 955 E HA -0.448 nan 4.350 nan 0.000 0.193 955 E C 2.449 179.047 176.600 -0.003 0.000 0.994 955 E CA 3.454 59.852 56.400 -0.003 0.000 0.800 955 E CB -0.386 29.312 29.700 -0.004 0.000 0.752 955 E HN -0.075 8.283 8.360 -0.004 0.000 0.447 956 D N -0.704 119.694 120.400 -0.003 0.000 2.123 956 D HA -0.272 nan 4.640 nan 0.000 0.196 956 D C 2.308 178.607 176.300 -0.003 0.000 0.992 956 D CA 3.339 57.337 54.000 -0.003 0.000 0.833 956 D CB -0.184 40.613 40.800 -0.004 0.000 0.954 956 D HN -0.090 8.278 8.370 -0.004 0.000 0.455 957 E N -0.310 119.889 120.200 -0.003 0.000 2.047 957 E HA -0.267 nan 4.350 nan 0.000 0.191 957 E C 2.312 178.911 176.600 -0.002 0.000 0.987 957 E CA 2.951 59.350 56.400 -0.003 0.000 0.799 957 E CB 0.196 29.894 29.700 -0.003 0.000 0.752 957 E HN -0.072 8.180 8.360 -0.003 0.107 0.449 958 C N 0.109 119.407 119.300 -0.002 0.000 2.401 958 C HA -0.346 nan 4.460 nan 0.000 0.276 958 C C 2.088 177.077 174.990 -0.002 0.000 1.233 958 C CA 4.133 63.150 59.018 -0.002 0.000 1.753 958 C CB -2.106 25.633 27.740 -0.002 0.000 2.029 958 C HN -0.040 8.189 8.230 -0.003 0.000 0.478 959 S N -0.385 115.313 115.700 -0.002 0.000 2.359 959 S HA -0.457 nan 4.470 nan 0.000 0.222 959 S C 2.122 176.721 174.600 -0.002 0.000 1.038 959 S CA 4.122 62.321 58.200 -0.002 0.000 1.051 959 S CB -0.233 62.966 63.200 -0.002 0.000 0.944 959 S HN 0.072 8.287 8.310 -0.002 0.093 0.433 960 E N 0.834 121.033 120.200 -0.002 0.000 2.107 960 E HA -0.192 nan 4.350 nan 0.000 0.191 960 E C 2.627 179.227 176.600 -0.001 0.000 0.982 960 E CA 2.004 58.403 56.400 -0.002 0.000 0.809 960 E CB -0.433 29.266 29.700 -0.002 0.000 0.756 960 E HN -0.688 7.671 8.360 -0.002 0.000 0.459 961 L N -0.310 120.912 121.223 -0.002 0.000 2.017 961 L HA -0.441 nan 4.340 nan 0.000 0.208 961 L C 2.090 178.960 176.870 -0.001 0.000 1.073 961 L CA 3.350 58.189 54.840 -0.001 0.000 0.745 961 L CB -0.693 41.365 42.059 -0.002 0.000 0.894 961 L HN 0.167 8.396 8.230 -0.002 0.000 0.432 962 K N -1.698 118.701 120.400 -0.001 0.000 2.113 962 K HA -0.416 nan 4.320 nan 0.000 0.208 962 K C 2.644 179.244 176.600 -0.001 0.000 1.047 962 K CA 3.488 59.774 56.287 -0.001 0.000 0.928 962 K CB -0.497 32.002 32.500 -0.001 0.000 0.716 962 K HN 0.103 8.353 8.250 -0.001 0.000 0.446 963 R N -1.029 119.470 120.500 -0.001 0.000 2.070 963 R HA -0.351 nan 4.340 nan 0.000 0.233 963 R C 2.135 178.435 176.300 -0.001 0.000 1.137 963 R CA 3.553 59.652 56.100 -0.001 0.000 0.945 963 R CB -0.249 30.050 30.300 -0.001 0.000 0.845 963 R HN -0.287 7.872 8.270 -0.001 0.111 0.430 964 D N -0.399 120.000 120.400 -0.001 0.000 2.149 964 D HA -0.302 nan 4.640 nan 0.000 0.194 964 D C 2.627 178.927 176.300 -0.001 0.000 1.001 964 D CA 3.403 57.403 54.000 -0.001 0.000 0.849 964 D CB -0.342 40.458 40.800 -0.001 0.000 0.939 964 D HN -0.170 8.200 8.370 -0.001 0.000 0.449 965 I N 0.135 120.704 120.570 -0.001 0.000 2.072 965 I HA -0.559 nan 4.170 nan 0.000 0.235 965 I C 1.630 177.747 176.117 -0.000 0.000 1.058 965 I CA 4.007 65.307 61.300 -0.001 0.000 1.320 965 I CB -0.070 37.930 38.000 -0.001 0.000 1.047 965 I HN -0.547 7.662 8.210 -0.001 0.000 0.397 966 D N -1.185 119.215 120.400 -0.000 0.000 2.218 966 D HA -0.275 nan 4.640 nan 0.000 0.204 966 D C 2.149 178.449 176.300 -0.000 0.000 0.976 966 D CA 2.802 56.802 54.000 -0.000 0.000 0.853 966 D CB -0.862 39.938 40.800 -0.000 0.000 0.939 966 D HN -0.556 7.814 8.370 -0.000 0.000 0.481 967 D N -0.746 119.653 120.400 -0.000 0.000 2.077 967 D HA -0.190 nan 4.640 nan 0.000 0.196 967 D C 2.462 178.762 176.300 -0.000 0.000 0.986 967 D CA 2.755 56.755 54.000 -0.000 0.000 0.829 967 D CB -0.118 40.682 40.800 -0.000 0.000 0.983 967 D HN 0.191 8.553 8.370 -0.000 0.008 0.453 968 L N 0.598 121.821 121.223 -0.000 0.000 2.046 968 L HA -0.255 nan 4.340 nan 0.000 0.208 968 L C 1.412 178.281 176.870 -0.000 0.000 1.077 968 L CA 2.585 57.425 54.840 -0.000 0.000 0.747 968 L CB 0.010 42.069 42.059 -0.000 0.000 0.896 968 L HN -0.643 7.508 8.230 -0.000 0.079 0.432 969 E N -2.204 117.996 120.200 -0.000 0.000 2.333 969 E HA -0.288 nan 4.350 nan 0.000 0.198 969 E C 1.787 178.387 176.600 0.000 0.000 1.007 969 E CA 2.063 58.463 56.400 -0.000 0.000 0.845 969 E CB -0.242 29.458 29.700 -0.000 0.000 0.766 969 E HN 0.087 8.447 8.360 -0.000 0.000 0.507 970 L N -1.385 119.838 121.223 0.000 0.000 2.873 970 L HA -0.075 nan 4.340 nan 0.000 0.252 970 L C -0.203 176.667 176.870 0.000 0.000 1.266 970 L CA 1.072 55.912 54.840 0.000 0.000 1.111 970 L CB -1.671 40.388 42.059 0.000 0.000 1.440 970 L HN -0.419 7.654 8.230 0.000 0.157 0.427 971 T N -2.058 112.496 114.554 0.000 0.000 3.186 971 T HA 0.104 nan 4.350 nan 0.000 0.292 971 T C -0.191 174.509 174.700 0.000 0.000 0.915 971 T CA 0.165 62.265 62.100 0.000 0.000 0.902 971 T CB 1.370 70.238 68.868 0.000 0.000 1.192 971 T HN -0.268 7.853 8.240 0.000 0.119 0.563 972 L N 0.000 121.223 121.223 0.000 0.000 2.949 972 L HA 0.000 nan 4.340 nan 0.000 0.249 972 L CA 0.000 54.840 54.840 0.000 0.000 0.813 972 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 972 L HN 0.000 8.230 8.230 0.000 0.000 0.502