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 1lns_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRFNHFSIVD KNFDEQLAEL DQLGFRWSVF WDEKKILKDF LIQSPSDMTA DATA SEQUENCE LQATAELDVI EFLKSSIELD WEIFWNIALQ LLDFVPNFDF EIGKAFEYAK DATA SEQUENCE NSNLPQIEAE MTTENIISAF YYLLCTRRKT GMILVEHWVS EGLLPLDNHY DATA SEQUENCE HFFNDKSLAT FDSSLLEREV LWVESPVDSE QRGENDLIKI QIIRPKSTEK DATA SEQUENCE LPVVMTASPY HLGINDKAND LALHDMNVEL EEKTSHEIHV EQKLPQKLSA DATA SEQUENCE KAKELPIVDK APYRFTHGWT YSLNDYFLTR GFASIYVAGV GTRSSDGFQT DATA SEQUENCE SGDYQQIYSM TAVIDWLNGR ARAYTSRKKT HEIKASWANG KVAMTGKSYL DATA SEQUENCE GTMAYGAATT GVEGLELILA EAGISSWYNY YRENGLVRSP GGFPGEDLDV DATA SEQUENCE LAALTYSRNL DGADFLKGNA EYEKRLAEMT AALDRKSGDY NQFWHDRNYL DATA SEQUENCE INTDKVKADV LIVHGLQDWN VTPEQAYNFW KALPEGHAKH AFLHRGAHIY DATA SEQUENCE MNSWQSIDFS ETINAYFVAK LLDRDLNLNL PPVILQENSK DQVWTMMNDF DATA SEQUENCE GANTQIKLPL GKTAVSFAQF DNNYDDETFK KYSKDFNVFK KDLFENKANE DATA SEQUENCE AVIDLELPSM LTINGPVELE LRLKLNDTKG FLSAQILDFG QKKRLEDKVR DATA SEQUENCE VKDFKVLDRG RNFMLDDLVE LPLVESPYQL VTKGFTNLQN QSLLTVSDLK DATA SEQUENCE ADEWFTIKFE LQPTIYHLEK ADKLRVILYS TDFEHTVRDN RKVTYEIDLS DATA SEQUENCE QSKLIIPIES VKN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.227 176.300 -0.121 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 R N 0.923 121.267 120.500 -0.261 0.000 2.574 2 R HA 0.794 5.156 4.340 0.036 0.000 0.288 2 R C -2.173 173.935 176.300 -0.320 0.000 1.004 2 R CA -0.344 55.657 56.100 -0.165 0.000 0.895 2 R CB 1.588 31.845 30.300 -0.073 0.000 1.191 2 R HN 0.546 nan 8.270 nan 0.000 0.444 3 F N 1.438 121.417 119.950 0.049 0.000 2.523 3 F HA 0.531 5.080 4.527 0.037 0.000 0.329 3 F C 0.330 176.155 175.800 0.042 0.000 1.061 3 F CA -0.715 57.317 58.000 0.053 0.000 0.967 3 F CB 1.759 40.827 39.000 0.114 0.000 1.218 3 F HN 0.305 nan 8.300 nan 0.000 0.480 4 N N 0.346 119.114 118.700 0.112 0.000 2.454 4 N HA 0.246 5.008 4.740 0.036 0.000 0.291 4 N C -1.821 173.556 175.510 -0.221 0.000 1.079 4 N CA -0.735 52.321 53.050 0.010 0.000 0.893 4 N CB 1.894 40.465 38.487 0.141 0.000 1.512 4 N HN 0.627 nan 8.380 nan 0.000 0.497 5 H N 0.694 119.613 119.070 -0.252 0.000 2.489 5 H HA 0.402 4.980 4.556 0.037 0.000 0.343 5 H C -0.285 174.760 175.328 -0.472 0.000 1.086 5 H CA -0.362 55.568 56.048 -0.197 0.000 1.198 5 H CB 1.268 30.978 29.762 -0.086 0.000 1.490 5 H HN 0.519 nan 8.280 nan 0.000 0.504 6 F N -0.316 119.708 119.950 0.123 0.000 2.798 6 F HA 0.061 4.609 4.527 0.036 0.000 0.328 6 F C 1.856 177.721 175.800 0.108 0.000 1.098 6 F CA 0.052 58.114 58.000 0.104 0.000 1.172 6 F CB 0.746 39.802 39.000 0.094 0.000 1.072 6 F HN 0.525 nan 8.300 nan 0.000 0.555 7 S N -0.121 115.731 115.700 0.252 0.000 2.548 7 S HA 0.205 4.697 4.470 0.036 0.000 0.215 7 S C 0.577 175.280 174.600 0.173 0.000 0.976 7 S CA -0.088 58.230 58.200 0.196 0.000 0.908 7 S CB -0.557 62.741 63.200 0.164 0.000 0.781 7 S HN 0.199 nan 8.310 nan 0.000 0.519 8 I N 3.129 123.796 120.570 0.162 0.000 2.494 8 I HA 0.158 4.349 4.170 0.036 0.000 0.289 8 I C -0.498 175.705 176.117 0.144 0.000 1.106 8 I CA -0.392 61.000 61.300 0.154 0.000 1.369 8 I CB 0.821 38.881 38.000 0.099 0.000 1.410 8 I HN 0.029 nan 8.210 nan 0.000 0.523 9 V N 6.416 126.432 119.914 0.168 0.000 2.465 9 V HA 0.121 4.262 4.120 0.036 0.000 0.279 9 V C 0.414 176.633 176.094 0.209 0.000 1.045 9 V CA -0.593 61.793 62.300 0.142 0.000 0.938 9 V CB 1.415 33.297 31.823 0.100 0.000 0.986 9 V HN 0.610 nan 8.190 nan 0.000 0.467 10 D N 4.078 124.569 120.400 0.152 0.000 2.390 10 D HA 0.324 4.986 4.640 0.036 0.000 0.249 10 D C -0.192 176.187 176.300 0.133 0.000 1.144 10 D CA 0.209 54.316 54.000 0.180 0.000 0.880 10 D CB 1.146 41.999 40.800 0.088 0.000 1.182 10 D HN 0.452 nan 8.370 nan 0.000 0.451 11 K N 1.837 122.319 120.400 0.137 0.000 2.426 11 K HA 0.280 4.622 4.320 0.036 0.000 0.251 11 K C -0.157 176.417 176.600 -0.043 0.000 0.941 11 K CA -0.816 55.460 56.287 -0.019 0.000 0.808 11 K CB 1.655 34.063 32.500 -0.153 0.000 1.265 11 K HN 0.266 nan 8.250 nan 0.000 0.432 12 N N 1.078 119.751 118.700 -0.045 0.000 2.326 12 N HA -0.005 4.757 4.740 0.036 0.000 0.239 12 N C 0.687 176.181 175.510 -0.028 0.000 1.301 12 N CA 0.061 53.112 53.050 0.002 0.000 0.909 12 N CB 0.160 38.655 38.487 0.014 0.000 1.156 12 N HN 0.471 nan 8.380 nan 0.000 0.462 13 F N 1.199 121.093 119.950 -0.092 0.000 2.102 13 F HA -0.156 4.379 4.527 0.014 0.000 0.298 13 F C 1.713 177.447 175.800 -0.111 0.000 1.105 13 F CA 1.547 59.485 58.000 -0.103 0.000 1.239 13 F CB -0.046 38.927 39.000 -0.044 0.000 0.991 13 F HN 0.424 nan 8.300 nan 0.000 0.474 14 D N 0.160 120.526 120.400 -0.058 0.000 2.144 14 D HA -0.189 4.473 4.640 0.036 0.000 0.199 14 D C 2.061 178.242 176.300 -0.198 0.000 0.984 14 D CA 1.599 55.518 54.000 -0.134 0.000 0.834 14 D CB -0.404 40.384 40.800 -0.020 0.000 0.955 14 D HN 0.515 nan 8.370 nan 0.000 0.465 15 E N 0.756 120.847 120.200 -0.180 0.000 2.072 15 E HA -0.165 4.207 4.350 0.036 0.000 0.191 15 E C 2.247 178.669 176.600 -0.297 0.000 0.985 15 E CA 0.670 56.956 56.400 -0.189 0.000 0.801 15 E CB -0.060 29.544 29.700 -0.160 0.000 0.750 15 E HN 0.360 nan 8.360 nan 0.000 0.452 16 Q N 0.565 120.065 119.800 -0.501 0.000 2.061 16 Q HA -0.154 4.208 4.340 0.036 0.000 0.204 16 Q C 2.383 178.151 176.000 -0.388 0.000 0.984 16 Q CA 1.111 56.464 55.803 -0.751 0.000 0.846 16 Q CB -0.134 28.033 28.738 -0.952 0.000 0.902 16 Q HN 0.300 nan 8.270 nan 0.000 0.421 17 L N 0.034 120.972 121.223 -0.476 0.000 2.083 17 L HA -0.203 4.158 4.340 0.036 0.000 0.209 17 L C 2.460 179.211 176.870 -0.199 0.000 1.083 17 L CA 0.937 55.556 54.840 -0.368 0.000 0.752 17 L CB -0.534 41.243 42.059 -0.469 0.000 0.899 17 L HN 0.252 nan 8.230 nan 0.000 0.433 18 A N -0.265 122.459 122.820 -0.160 0.000 1.898 18 A HA -0.191 4.151 4.320 0.036 0.000 0.216 18 A C 2.144 179.729 177.584 0.001 0.000 1.181 18 A CA 1.413 53.404 52.037 -0.076 0.000 0.620 18 A CB -0.339 18.622 19.000 -0.064 0.000 0.819 18 A HN 0.433 nan 8.150 nan 0.000 0.442 19 E N -0.168 120.064 120.200 0.054 0.000 2.106 19 E HA -0.104 4.268 4.350 0.036 0.000 0.192 19 E C 1.949 178.732 176.600 0.305 0.000 0.984 19 E CA 0.936 57.471 56.400 0.226 0.000 0.806 19 E CB -0.265 29.608 29.700 0.288 0.000 0.750 19 E HN 0.613 nan 8.360 nan 0.000 0.458 20 L N 1.318 122.676 121.223 0.225 0.000 2.056 20 L HA -0.191 4.171 4.340 0.036 0.000 0.207 20 L C 2.540 179.407 176.870 -0.005 0.000 1.078 20 L CA 1.107 56.031 54.840 0.140 0.000 0.749 20 L CB -0.425 41.571 42.059 -0.106 0.000 0.901 20 L HN 0.190 nan 8.230 nan 0.000 0.433 21 D N 0.043 120.396 120.400 -0.080 0.000 2.123 21 D HA -0.248 4.414 4.640 0.036 0.000 0.196 21 D C 2.017 178.276 176.300 -0.069 0.000 0.992 21 D CA 1.486 55.417 54.000 -0.116 0.000 0.833 21 D CB 0.111 40.852 40.800 -0.099 0.000 0.954 21 D HN 0.431 nan 8.370 nan 0.000 0.455 22 Q N -0.319 119.485 119.800 0.007 0.000 2.226 22 Q HA -0.038 4.324 4.340 0.036 0.000 0.204 22 Q C 2.196 178.201 176.000 0.008 0.000 0.975 22 Q CA 0.617 56.443 55.803 0.039 0.000 0.866 22 Q CB 0.124 28.933 28.738 0.118 0.000 0.915 22 Q HN 0.386 nan 8.270 nan 0.000 0.440 23 L N -1.473 119.740 121.223 -0.016 0.000 2.591 23 L HA 0.143 4.505 4.340 0.036 0.000 0.228 23 L C 1.081 177.704 176.870 -0.412 0.000 1.133 23 L CA 0.501 55.266 54.840 -0.126 0.000 0.880 23 L CB 0.204 42.268 42.059 0.009 0.000 1.033 23 L HN 0.441 nan 8.230 nan 0.000 0.450 24 G N -0.351 108.221 108.800 -0.381 0.000 2.179 24 G HA2 -0.264 3.717 3.960 0.036 0.000 0.220 24 G HA3 -0.264 3.717 3.960 0.036 0.000 0.220 24 G C 0.066 174.603 174.900 -0.605 0.000 0.990 24 G CA -0.621 44.188 45.100 -0.485 0.000 0.646 24 G HN 0.210 nan 8.290 nan 0.000 0.517 25 F N 2.150 121.888 119.950 -0.353 0.000 2.425 25 F HA 0.488 5.035 4.527 0.034 0.000 0.354 25 F C 1.183 176.463 175.800 -0.866 0.000 1.162 25 F CA -0.661 56.907 58.000 -0.721 0.000 1.250 25 F CB 0.684 39.008 39.000 -1.127 0.000 1.579 25 F HN -0.110 nan 8.300 nan 0.000 0.589 26 R N 2.626 122.914 120.500 -0.354 0.000 2.608 26 R HA 0.155 4.516 4.340 0.036 0.000 0.277 26 R C -0.918 175.212 176.300 -0.284 0.000 1.341 26 R CA -0.322 55.630 56.100 -0.247 0.000 1.199 26 R CB 0.351 30.605 30.300 -0.076 0.000 1.156 26 R HN 0.411 nan 8.270 nan 0.000 0.558 27 W N 0.394 121.387 121.300 -0.513 0.000 2.671 27 W HA 0.494 5.171 4.660 0.029 0.000 0.360 27 W C 0.569 176.537 176.519 -0.918 0.000 1.128 27 W CA -1.199 55.502 57.345 -1.073 0.000 1.184 27 W CB 1.193 30.230 29.460 -0.704 0.000 1.415 27 W HN 0.295 nan 8.180 nan 0.000 0.604 28 S N -0.841 114.249 115.700 -1.015 0.000 2.595 28 S HA 0.340 4.831 4.470 0.036 0.000 0.281 28 S C -0.208 174.066 174.600 -0.544 0.000 1.117 28 S CA -0.576 57.176 58.200 -0.747 0.000 0.873 28 S CB 1.967 64.565 63.200 -1.004 0.000 1.108 28 S HN 0.358 nan 8.310 nan 0.000 0.477 29 V N 1.920 121.628 119.914 -0.344 0.000 2.867 29 V HA 0.060 4.202 4.120 0.036 0.000 0.260 29 V C 0.970 177.073 176.094 0.015 0.000 1.099 29 V CA 1.852 64.129 62.300 -0.038 0.000 1.122 29 V CB -1.166 30.724 31.823 0.112 0.000 0.708 29 V HN 0.801 nan 8.190 nan 0.000 0.490 30 F N -3.253 116.831 119.950 0.223 0.000 2.668 30 F HA 0.489 5.031 4.527 0.026 0.000 0.297 30 F C 0.243 176.241 175.800 0.329 0.000 1.124 30 F CA -1.964 56.172 58.000 0.226 0.000 1.353 30 F CB -0.976 38.131 39.000 0.179 0.000 0.992 30 F HN 0.008 nan 8.300 nan 0.000 0.524 31 W N 2.110 123.420 121.300 0.016 0.000 2.215 31 W HA 0.333 5.017 4.660 0.040 0.000 0.342 31 W C 0.315 176.838 176.519 0.007 0.000 1.237 31 W CA -1.076 56.283 57.345 0.023 0.000 1.283 31 W CB 0.413 29.830 29.460 -0.072 0.000 1.131 31 W HN -0.005 nan 8.180 nan 0.000 0.606 32 D N 1.056 121.547 120.400 0.152 0.000 2.339 32 D HA -0.019 4.642 4.640 0.036 0.000 0.245 32 D C 1.440 177.773 176.300 0.056 0.000 1.115 32 D CA 0.010 54.049 54.000 0.065 0.000 0.917 32 D CB 1.137 41.934 40.800 -0.005 0.000 1.192 32 D HN 0.416 nan 8.370 nan 0.000 0.428 33 E N 3.054 123.268 120.200 0.023 0.000 2.110 33 E HA -0.212 4.159 4.350 0.036 0.000 0.193 33 E C 1.209 177.834 176.600 0.042 0.000 0.988 33 E CA 1.044 57.451 56.400 0.013 0.000 0.804 33 E CB -0.298 29.382 29.700 -0.034 0.000 0.745 33 E HN 0.540 nan 8.360 nan 0.000 0.458 34 K N 0.755 121.171 120.400 0.027 0.000 2.211 34 K HA -0.094 4.247 4.320 0.036 0.000 0.203 34 K C 2.141 178.754 176.600 0.022 0.000 1.050 34 K CA 1.183 57.493 56.287 0.039 0.000 0.945 34 K CB -0.045 32.418 32.500 -0.062 0.000 0.732 34 K HN -0.045 nan 8.250 nan 0.000 0.451 35 K N 1.922 122.316 120.400 -0.010 0.000 2.097 35 K HA -0.029 4.313 4.320 0.036 0.000 0.205 35 K C 1.774 178.394 176.600 0.033 0.000 1.050 35 K CA 1.031 57.303 56.287 -0.025 0.000 0.938 35 K CB -0.208 32.221 32.500 -0.118 0.000 0.718 35 K HN 0.037 nan 8.250 nan 0.000 0.442 36 I N 0.518 121.075 120.570 -0.020 0.000 2.226 36 I HA -0.236 3.956 4.170 0.036 0.000 0.245 36 I C 2.124 178.049 176.117 -0.321 0.000 1.100 36 I CA 0.808 61.890 61.300 -0.364 0.000 1.374 36 I CB -0.317 37.343 38.000 -0.566 0.000 1.057 36 I HN 0.203 nan 8.210 nan 0.000 0.413 37 L N 1.303 122.503 121.223 -0.039 0.000 2.012 37 L HA -0.249 4.113 4.340 0.036 0.000 0.210 37 L C 2.467 179.431 176.870 0.157 0.000 1.073 37 L CA 1.991 56.909 54.840 0.130 0.000 0.748 37 L CB -0.775 41.484 42.059 0.333 0.000 0.891 37 L HN 0.110 nan 8.230 nan 0.000 0.431 38 K N -0.704 119.775 120.400 0.131 0.000 2.032 38 K HA -0.277 4.064 4.320 0.036 0.000 0.209 38 K C 1.973 178.674 176.600 0.168 0.000 1.048 38 K CA 2.107 58.472 56.287 0.131 0.000 0.927 38 K CB -0.389 32.157 32.500 0.075 0.000 0.712 38 K HN 0.509 nan 8.250 nan 0.000 0.441 39 D N -0.433 120.098 120.400 0.219 0.000 2.117 39 D HA -0.181 4.480 4.640 0.036 0.000 0.197 39 D C 1.742 178.334 176.300 0.488 0.000 0.987 39 D CA 0.897 55.122 54.000 0.375 0.000 0.829 39 D CB -0.131 41.038 40.800 0.614 0.000 0.961 39 D HN 0.256 nan 8.370 nan 0.000 0.460 40 F N 0.664 120.771 119.950 0.263 0.000 2.126 40 F HA -0.102 4.447 4.527 0.037 0.000 0.299 40 F C 1.835 177.753 175.800 0.198 0.000 1.096 40 F CA 1.318 59.441 58.000 0.205 0.000 1.255 40 F CB -0.250 38.497 39.000 -0.422 0.000 0.997 40 F HN 0.011 nan 8.300 nan 0.000 0.479 41 L N -0.474 120.827 121.223 0.130 0.000 2.072 41 L HA -0.168 4.193 4.340 0.036 0.000 0.205 41 L C 2.467 179.295 176.870 -0.070 0.000 1.079 41 L CA 1.105 55.942 54.840 -0.005 0.000 0.752 41 L CB -0.617 41.513 42.059 0.118 0.000 0.906 41 L HN 0.122 nan 8.230 nan 0.000 0.436 42 I N -0.523 120.057 120.570 0.017 0.000 2.315 42 I HA -0.259 3.932 4.170 0.036 0.000 0.248 42 I C 2.282 178.353 176.117 -0.077 0.000 1.117 42 I CA 1.002 62.293 61.300 -0.015 0.000 1.404 42 I CB -0.098 37.925 38.000 0.038 0.000 1.071 42 I HN 0.269 nan 8.210 nan 0.000 0.419 43 Q N 0.734 120.508 119.800 -0.044 0.000 2.472 43 Q HA 0.017 4.379 4.340 0.036 0.000 0.208 43 Q C 0.925 176.712 176.000 -0.355 0.000 0.958 43 Q CA 0.183 55.882 55.803 -0.172 0.000 0.932 43 Q CB 0.040 28.671 28.738 -0.178 0.000 1.007 43 Q HN 0.565 nan 8.270 nan 0.000 0.508 44 S N -1.350 114.081 115.700 -0.447 0.000 2.730 44 S HA 0.451 4.942 4.470 0.036 0.000 0.284 44 S C -2.100 172.062 174.600 -0.730 0.000 1.153 44 S CA -1.306 56.360 58.200 -0.890 0.000 0.995 44 S CB 1.147 63.339 63.200 -1.680 0.000 1.058 44 S HN -0.114 nan 8.310 nan 0.000 0.552 45 P HA 0.177 nan 4.420 nan 0.000 0.249 45 P C 0.082 177.167 177.300 -0.359 0.000 1.229 45 P CA -0.068 62.725 63.100 -0.511 0.000 0.788 45 P CB -0.138 31.290 31.700 -0.454 0.000 1.072 46 S N -0.438 115.020 115.700 -0.404 0.000 2.614 46 S HA 0.249 4.741 4.470 0.036 0.000 0.265 46 S C -0.037 174.524 174.600 -0.065 0.000 1.303 46 S CA -0.595 57.542 58.200 -0.105 0.000 1.000 46 S CB 0.669 63.891 63.200 0.038 0.000 0.935 46 S HN -0.113 nan 8.310 nan 0.000 0.551 47 D N 0.889 121.297 120.400 0.013 0.000 2.443 47 D HA 0.224 4.886 4.640 0.036 0.000 0.221 47 D C 0.845 177.170 176.300 0.042 0.000 1.097 47 D CA -0.442 53.567 54.000 0.015 0.000 0.865 47 D CB 0.478 41.294 40.800 0.028 0.000 1.034 47 D HN 0.622 nan 8.370 nan 0.000 0.511 48 M N 2.584 122.203 119.600 0.031 0.000 2.149 48 M HA -0.185 4.317 4.480 0.036 0.000 0.261 48 M C 1.707 178.046 176.300 0.064 0.000 1.064 48 M CA 1.876 57.211 55.300 0.058 0.000 1.102 48 M CB -0.040 32.589 32.600 0.048 0.000 1.369 48 M HN 0.490 nan 8.290 nan 0.000 0.408 49 T N -2.086 112.497 114.554 0.048 0.000 3.051 49 T HA 0.067 4.439 4.350 0.036 0.000 0.269 49 T C 1.395 176.127 174.700 0.054 0.000 1.127 49 T CA 0.966 63.094 62.100 0.048 0.000 1.107 49 T CB -0.506 68.381 68.868 0.033 0.000 0.898 49 T HN 0.462 nan 8.240 nan 0.000 0.517 50 A N 0.523 123.380 122.820 0.061 0.000 2.220 50 A HA 0.544 4.886 4.320 0.036 0.000 0.211 50 A C 0.897 178.530 177.584 0.082 0.000 1.176 50 A CA -0.370 51.707 52.037 0.067 0.000 0.834 50 A CB -0.118 18.922 19.000 0.067 0.000 0.868 50 A HN 0.552 nan 8.150 nan 0.000 0.488 51 L N 0.638 121.916 121.223 0.093 0.000 2.349 51 L HA 0.286 4.647 4.340 0.036 0.000 0.275 51 L C 0.417 177.343 176.870 0.095 0.000 1.115 51 L CA -0.234 54.670 54.840 0.107 0.000 0.820 51 L CB 0.941 43.074 42.059 0.123 0.000 1.135 51 L HN 0.371 nan 8.230 nan 0.000 0.445 52 Q N 1.427 121.281 119.800 0.090 0.000 2.271 52 Q HA 0.440 4.802 4.340 0.036 0.000 0.258 52 Q C 0.109 176.138 176.000 0.049 0.000 0.936 52 Q CA -0.190 55.652 55.803 0.065 0.000 0.909 52 Q CB 1.956 30.721 28.738 0.045 0.000 1.253 52 Q HN 0.833 nan 8.270 nan 0.000 0.440 53 A N 3.055 125.883 122.820 0.014 0.000 1.942 53 A HA 0.159 4.501 4.320 0.036 0.000 0.209 53 A C 0.706 178.213 177.584 -0.127 0.000 1.214 53 A CA 1.324 53.299 52.037 -0.105 0.000 0.686 53 A CB 0.201 19.088 19.000 -0.187 0.000 0.871 53 A HN 0.794 nan 8.150 nan 0.000 0.460 54 T N -5.828 108.694 114.554 -0.054 0.000 2.716 54 T HA 0.611 4.982 4.350 0.036 0.000 0.286 54 T C 0.921 175.620 174.700 -0.001 0.000 1.052 54 T CA 0.145 62.228 62.100 -0.029 0.000 1.024 54 T CB 1.108 69.964 68.868 -0.020 0.000 1.349 54 T HN 0.653 nan 8.240 nan 0.000 0.525 55 A N -0.307 122.514 122.820 0.002 0.000 2.125 55 A HA 0.109 4.450 4.320 0.036 0.000 0.219 55 A C 1.664 179.250 177.584 0.002 0.000 1.156 55 A CA 1.521 53.554 52.037 -0.006 0.000 0.671 55 A CB -0.855 18.142 19.000 -0.005 0.000 0.794 55 A HN 0.856 nan 8.150 nan 0.000 0.459 56 E N -1.668 118.543 120.200 0.018 0.000 2.508 56 E HA 0.367 4.738 4.350 0.036 0.000 0.217 56 E C -0.319 176.306 176.600 0.042 0.000 0.896 56 E CA 0.056 56.472 56.400 0.027 0.000 1.118 56 E CB 0.598 30.317 29.700 0.033 0.000 1.133 56 E HN 0.505 nan 8.360 nan 0.000 0.526 57 L N 1.522 122.778 121.223 0.054 0.000 2.370 57 L HA 0.440 4.801 4.340 0.036 0.000 0.266 57 L C -0.612 176.307 176.870 0.082 0.000 1.002 57 L CA -1.383 53.506 54.840 0.081 0.000 0.818 57 L CB 1.721 43.861 42.059 0.135 0.000 1.325 57 L HN -0.027 nan 8.230 nan 0.000 0.418 58 D N 0.765 121.220 120.400 0.090 0.000 2.451 58 D HA 0.191 4.853 4.640 0.036 0.000 0.259 58 D C 0.893 177.279 176.300 0.142 0.000 1.201 58 D CA -0.650 53.405 54.000 0.092 0.000 1.028 58 D CB 0.828 41.675 40.800 0.078 0.000 1.095 58 D HN 0.127 nan 8.370 nan 0.000 0.539 59 V N -0.162 119.838 119.914 0.144 0.000 2.295 59 V HA -0.215 3.927 4.120 0.036 0.000 0.246 59 V C 2.381 178.601 176.094 0.211 0.000 1.049 59 V CA 1.481 63.907 62.300 0.210 0.000 1.024 59 V CB -0.747 31.182 31.823 0.176 0.000 0.648 59 V HN 0.509 nan 8.190 nan 0.000 0.447 60 I N -0.058 120.591 120.570 0.133 0.000 2.163 60 I HA -0.286 3.905 4.170 0.036 0.000 0.243 60 I C 2.550 178.716 176.117 0.082 0.000 1.085 60 I CA 1.863 63.218 61.300 0.091 0.000 1.347 60 I CB -0.433 37.605 38.000 0.062 0.000 1.044 60 I HN 0.390 nan 8.210 nan 0.000 0.408 61 E N 0.194 120.453 120.200 0.099 0.000 2.110 61 E HA -0.251 4.120 4.350 0.036 0.000 0.193 61 E C 2.075 178.743 176.600 0.112 0.000 0.988 61 E CA 1.342 57.795 56.400 0.087 0.000 0.804 61 E CB -0.252 29.502 29.700 0.091 0.000 0.745 61 E HN 0.440 nan 8.360 nan 0.000 0.458 62 F N 1.612 121.581 119.950 0.031 0.000 2.134 62 F HA -0.150 4.398 4.527 0.035 0.000 0.299 62 F C 1.846 177.663 175.800 0.027 0.000 1.097 62 F CA 1.252 59.271 58.000 0.032 0.000 1.264 62 F CB -0.206 38.821 39.000 0.044 0.000 1.001 62 F HN -0.098 nan 8.300 nan 0.000 0.479 63 L N 0.111 121.242 121.223 -0.154 0.000 2.083 63 L HA -0.211 4.151 4.340 0.036 0.000 0.209 63 L C 2.338 179.082 176.870 -0.210 0.000 1.083 63 L CA 1.518 56.206 54.840 -0.252 0.000 0.752 63 L CB -0.620 41.409 42.059 -0.050 0.000 0.899 63 L HN 0.092 nan 8.230 nan 0.000 0.433 64 K N -0.357 119.975 120.400 -0.114 0.000 2.296 64 K HA -0.012 4.329 4.320 0.036 0.000 0.200 64 K C 1.264 177.805 176.600 -0.099 0.000 1.048 64 K CA 0.468 56.705 56.287 -0.084 0.000 0.966 64 K CB 0.077 32.557 32.500 -0.034 0.000 0.754 64 K HN 0.352 nan 8.250 nan 0.000 0.466 65 S N 0.134 115.759 115.700 -0.125 0.000 2.641 65 S HA 0.042 4.534 4.470 0.036 0.000 0.261 65 S C 1.115 175.628 174.600 -0.146 0.000 1.257 65 S CA -0.221 57.922 58.200 -0.095 0.000 0.983 65 S CB 1.431 64.615 63.200 -0.027 0.000 0.990 65 S HN 0.168 nan 8.310 nan 0.000 0.572 66 S N -0.408 115.241 115.700 -0.085 0.000 2.535 66 S HA 0.285 4.776 4.470 0.036 0.000 0.214 66 S C 0.575 175.138 174.600 -0.061 0.000 0.980 66 S CA -0.556 57.596 58.200 -0.080 0.000 0.907 66 S CB -0.791 62.383 63.200 -0.042 0.000 0.790 66 S HN 0.648 nan 8.310 nan 0.000 0.510 67 I N 2.739 123.293 120.570 -0.027 0.000 2.775 67 I HA 0.124 4.316 4.170 0.036 0.000 0.290 67 I C 0.716 176.878 176.117 0.075 0.000 1.203 67 I CA 0.058 61.407 61.300 0.082 0.000 1.433 67 I CB 0.332 38.479 38.000 0.245 0.000 1.354 67 I HN 0.183 nan 8.210 nan 0.000 0.579 68 E N 5.812 126.077 120.200 0.108 0.000 2.318 68 E HA 0.377 4.748 4.350 0.036 0.000 0.265 68 E C -0.842 175.899 176.600 0.236 0.000 1.069 68 E CA -0.538 55.920 56.400 0.097 0.000 0.893 68 E CB 1.106 30.823 29.700 0.029 0.000 1.076 68 E HN 0.414 nan 8.360 nan 0.000 0.414 69 L N 3.085 124.437 121.223 0.216 0.000 2.380 69 L HA 0.242 4.604 4.340 0.036 0.000 0.273 69 L C -0.413 176.427 176.870 -0.049 0.000 1.138 69 L CA 0.081 55.037 54.840 0.193 0.000 0.832 69 L CB 0.410 42.563 42.059 0.157 0.000 1.124 69 L HN 0.690 nan 8.230 nan 0.000 0.454 70 D N 0.258 120.609 120.400 -0.082 0.000 2.614 70 D HA 0.164 4.825 4.640 0.036 0.000 0.264 70 D C 0.189 176.408 176.300 -0.135 0.000 1.092 70 D CA -0.604 53.285 54.000 -0.184 0.000 1.071 70 D CB 0.390 41.159 40.800 -0.051 0.000 1.443 70 D HN 0.384 nan 8.370 nan 0.000 0.528 71 W N -0.143 121.204 121.300 0.078 0.000 2.425 71 W HA -0.016 4.662 4.660 0.031 0.000 0.277 71 W C 1.901 178.662 176.519 0.403 0.000 1.231 71 W CA 0.226 57.702 57.345 0.218 0.000 1.248 71 W CB 0.120 29.684 29.460 0.172 0.000 1.117 71 W HN 0.368 nan 8.180 nan 0.000 0.568 72 E N 0.432 120.894 120.200 0.436 0.000 2.047 72 E HA -0.162 4.209 4.350 0.036 0.000 0.191 72 E C 2.009 178.781 176.600 0.287 0.000 0.987 72 E CA 1.229 57.858 56.400 0.382 0.000 0.799 72 E CB -0.633 29.198 29.700 0.218 0.000 0.752 72 E HN 0.395 nan 8.360 nan 0.000 0.449 73 I N 0.571 121.224 120.570 0.138 0.000 2.252 73 I HA -0.242 3.949 4.170 0.036 0.000 0.245 73 I C 2.393 178.521 176.117 0.020 0.000 1.102 73 I CA 0.775 62.061 61.300 -0.022 0.000 1.385 73 I CB -0.300 37.547 38.000 -0.255 0.000 1.064 73 I HN -0.011 nan 8.210 nan 0.000 0.414 74 F N 0.923 120.848 119.950 -0.042 0.000 2.095 74 F HA -0.267 4.283 4.527 0.038 0.000 0.298 74 F C 2.062 177.741 175.800 -0.202 0.000 1.104 74 F CA 1.723 59.639 58.000 -0.141 0.000 1.232 74 F CB -0.512 38.388 39.000 -0.167 0.000 0.987 74 F HN -0.009 nan 8.300 nan 0.000 0.475 75 W N 0.798 122.215 121.300 0.195 0.000 2.467 75 W HA -0.119 4.562 4.660 0.035 0.000 0.275 75 W C 2.316 178.774 176.519 -0.103 0.000 1.239 75 W CA 0.813 58.162 57.345 0.007 0.000 1.266 75 W CB -0.519 29.029 29.460 0.147 0.000 1.112 75 W HN -0.031 nan 8.180 nan 0.000 0.576 76 N N 0.556 119.364 118.700 0.179 0.000 2.069 76 N HA -0.172 4.589 4.740 0.036 0.000 0.191 76 N C 1.577 177.174 175.510 0.146 0.000 1.031 76 N CA 1.751 54.935 53.050 0.224 0.000 0.852 76 N CB -0.709 37.890 38.487 0.188 0.000 1.018 76 N HN 0.195 nan 8.380 nan 0.000 0.423 77 I N 0.847 121.414 120.570 -0.006 0.000 2.286 77 I HA -0.148 4.043 4.170 0.036 0.000 0.245 77 I C 2.324 178.398 176.117 -0.071 0.000 1.104 77 I CA 0.723 62.014 61.300 -0.014 0.000 1.397 77 I CB -0.290 37.685 38.000 -0.042 0.000 1.072 77 I HN 0.030 nan 8.210 nan 0.000 0.417 78 A N 1.136 123.748 122.820 -0.347 0.000 1.908 78 A HA -0.164 4.178 4.320 0.036 0.000 0.218 78 A C 2.307 179.862 177.584 -0.048 0.000 1.181 78 A CA 1.426 53.236 52.037 -0.378 0.000 0.627 78 A CB -0.868 17.514 19.000 -1.030 0.000 0.818 78 A HN 0.379 nan 8.150 nan 0.000 0.445 79 L N -1.032 120.193 121.223 0.003 0.000 2.083 79 L HA -0.253 4.109 4.340 0.036 0.000 0.209 79 L C 2.872 179.905 176.870 0.272 0.000 1.083 79 L CA 1.532 56.394 54.840 0.037 0.000 0.752 79 L CB -0.580 41.120 42.059 -0.598 0.000 0.899 79 L HN 0.509 nan 8.230 nan 0.000 0.433 80 Q N -0.138 119.815 119.800 0.256 0.000 2.079 80 Q HA -0.165 4.196 4.340 0.036 0.000 0.200 80 Q C 2.345 178.483 176.000 0.230 0.000 0.974 80 Q CA 1.212 57.194 55.803 0.299 0.000 0.840 80 Q CB -0.090 28.807 28.738 0.265 0.000 0.898 80 Q HN 0.515 nan 8.270 nan 0.000 0.430 81 L N 0.275 121.618 121.223 0.200 0.000 2.201 81 L HA -0.136 4.225 4.340 0.036 0.000 0.212 81 L C 1.735 178.680 176.870 0.125 0.000 1.105 81 L CA 0.672 55.638 54.840 0.209 0.000 0.775 81 L CB -0.207 41.995 42.059 0.239 0.000 0.913 81 L HN 0.267 nan 8.230 nan 0.000 0.440 82 L N -0.583 120.725 121.223 0.142 0.000 2.627 82 L HA 0.018 4.380 4.340 0.036 0.000 0.232 82 L C 0.289 177.156 176.870 -0.005 0.000 1.150 82 L CA 0.032 54.935 54.840 0.105 0.000 0.917 82 L CB -0.262 41.955 42.059 0.262 0.000 1.104 82 L HN 0.237 nan 8.230 nan 0.000 0.445 83 D N -0.968 119.446 120.400 0.022 0.000 3.091 83 D HA -0.190 4.471 4.640 0.036 0.000 0.216 83 D C -0.275 175.953 176.300 -0.120 0.000 1.129 83 D CA 0.745 54.702 54.000 -0.072 0.000 0.913 83 D CB -1.200 39.486 40.800 -0.189 0.000 1.101 83 D HN 0.089 nan 8.370 nan 0.000 0.426 84 F N -0.299 119.751 119.950 0.166 0.000 2.385 84 F HA 0.447 4.995 4.527 0.035 0.000 0.336 84 F C 1.023 177.014 175.800 0.319 0.000 1.100 84 F CA -0.750 57.400 58.000 0.250 0.000 1.116 84 F CB 1.282 40.429 39.000 0.244 0.000 1.166 84 F HN -0.307 nan 8.300 nan 0.000 0.511 85 V N 5.429 125.604 119.914 0.434 0.000 2.368 85 V HA 0.222 4.364 4.120 0.036 0.000 0.266 85 V C -1.947 174.218 176.094 0.118 0.000 1.045 85 V CA -1.808 60.660 62.300 0.280 0.000 0.899 85 V CB 0.486 32.439 31.823 0.217 0.000 1.006 85 V HN 0.495 nan 8.190 nan 0.000 0.470 86 P HA 0.185 nan 4.420 nan 0.000 0.271 86 P C 0.189 177.222 177.300 -0.445 0.000 1.218 86 P CA 0.143 62.808 63.100 -0.724 0.000 0.780 86 P CB 0.666 32.139 31.700 -0.379 0.000 0.901 87 N N -0.201 118.099 118.700 -0.666 0.000 2.967 87 N HA -0.202 4.560 4.740 0.036 0.000 0.218 87 N C 0.433 175.455 175.510 -0.814 0.000 0.870 87 N CA 1.699 54.372 53.050 -0.628 0.000 1.030 87 N CB -1.657 36.478 38.487 -0.586 0.000 1.027 87 N HN 0.431 nan 8.380 nan 0.000 0.603 88 F N 0.424 120.258 119.950 -0.194 0.000 2.495 88 F HA 0.267 4.815 4.527 0.036 0.000 0.272 88 F C 2.023 177.803 175.800 -0.034 0.000 0.919 88 F CA 0.019 57.971 58.000 -0.079 0.000 1.178 88 F CB -0.133 38.846 39.000 -0.034 0.000 1.030 88 F HN -0.238 nan 8.300 nan 0.000 0.777 89 D N 0.189 120.697 120.400 0.179 0.000 2.162 89 D HA 0.015 4.677 4.640 0.036 0.000 0.203 89 D C -0.021 176.291 176.300 0.020 0.000 0.967 89 D CA 1.278 55.409 54.000 0.219 0.000 0.840 89 D CB 0.106 41.171 40.800 0.441 0.000 0.972 89 D HN 0.248 nan 8.370 nan 0.000 0.482 90 F N -1.019 118.759 119.950 -0.287 0.000 2.643 90 F HA 0.497 5.046 4.527 0.037 0.000 0.314 90 F C -0.694 174.968 175.800 -0.231 0.000 1.096 90 F CA -1.368 56.339 58.000 -0.488 0.000 0.953 90 F CB 1.406 39.797 39.000 -1.015 0.000 1.345 90 F HN -0.404 nan 8.300 nan 0.000 0.468 91 E N 2.580 122.741 120.200 -0.065 0.000 2.115 91 E HA 0.296 4.667 4.350 0.036 0.000 0.282 91 E C -0.498 176.113 176.600 0.017 0.000 0.987 91 E CA -0.850 55.487 56.400 -0.105 0.000 0.797 91 E CB 0.847 30.542 29.700 -0.009 0.000 1.086 91 E HN 0.540 nan 8.360 nan 0.000 0.397 92 I N 3.901 124.390 120.570 -0.135 0.000 2.752 92 I HA -0.046 4.146 4.170 0.036 0.000 0.289 92 I C 1.531 177.695 176.117 0.078 0.000 1.197 92 I CA 1.640 62.952 61.300 0.019 0.000 1.432 92 I CB 0.194 38.156 38.000 -0.064 0.000 1.359 92 I HN 1.020 nan 8.210 nan 0.000 0.571 93 G N 6.248 115.136 108.800 0.146 0.000 2.213 93 G HA2 -0.216 3.766 3.960 0.036 0.000 0.236 93 G HA3 -0.216 3.766 3.960 0.036 0.000 0.236 93 G C 0.710 175.701 174.900 0.151 0.000 0.991 93 G CA -0.238 44.934 45.100 0.120 0.000 0.629 93 G HN 0.506 nan 8.290 nan 0.000 0.517 94 K N 0.151 120.664 120.400 0.188 0.000 2.592 94 K HA 0.650 4.991 4.320 0.036 0.000 0.203 94 K C 1.848 178.591 176.600 0.238 0.000 1.070 94 K CA 0.560 56.963 56.287 0.193 0.000 1.062 94 K CB 0.691 33.282 32.500 0.153 0.000 0.814 94 K HN 0.488 nan 8.250 nan 0.000 0.502 95 A N 0.446 123.431 122.820 0.274 0.000 1.933 95 A HA -0.148 4.193 4.320 0.036 0.000 0.218 95 A C 1.906 179.543 177.584 0.088 0.000 1.175 95 A CA 1.057 53.195 52.037 0.170 0.000 0.628 95 A CB -0.472 18.655 19.000 0.211 0.000 0.814 95 A HN 0.321 nan 8.150 nan 0.000 0.444 96 F N 1.018 121.004 119.950 0.059 0.000 2.095 96 F HA -0.204 4.344 4.527 0.034 0.000 0.298 96 F C 2.153 177.792 175.800 -0.268 0.000 1.104 96 F CA 2.396 60.298 58.000 -0.163 0.000 1.232 96 F CB -0.201 38.823 39.000 0.041 0.000 0.987 96 F HN 0.271 nan 8.300 nan 0.000 0.475 97 E N -0.706 119.558 120.200 0.107 0.000 2.077 97 E HA -0.253 4.118 4.350 0.036 0.000 0.193 97 E C 1.926 178.446 176.600 -0.134 0.000 0.989 97 E CA 1.703 58.108 56.400 0.009 0.000 0.800 97 E CB -0.817 28.948 29.700 0.109 0.000 0.746 97 E HN 0.642 nan 8.360 nan 0.000 0.452 98 Y N 0.838 121.019 120.300 -0.199 0.000 2.181 98 Y HA -0.235 4.336 4.550 0.035 0.000 0.288 98 Y C 2.194 177.843 175.900 -0.418 0.000 1.146 98 Y CA 1.603 59.558 58.100 -0.241 0.000 1.164 98 Y CB -0.448 37.889 38.460 -0.204 0.000 0.982 98 Y HN 0.050 nan 8.280 nan 0.000 0.515 99 A N 0.181 122.673 122.820 -0.546 0.000 1.902 99 A HA -0.230 4.112 4.320 0.036 0.000 0.217 99 A C 2.294 179.420 177.584 -0.764 0.000 1.181 99 A CA 1.953 53.481 52.037 -0.849 0.000 0.623 99 A CB -0.743 17.306 19.000 -1.585 0.000 0.818 99 A HN 0.523 nan 8.150 nan 0.000 0.443 100 K N -0.453 119.504 120.400 -0.738 0.000 2.026 100 K HA -0.163 4.179 4.320 0.036 0.000 0.208 100 K C 1.562 177.943 176.600 -0.365 0.000 1.048 100 K CA 1.507 57.465 56.287 -0.547 0.000 0.929 100 K CB -0.189 32.029 32.500 -0.469 0.000 0.713 100 K HN 0.412 nan 8.250 nan 0.000 0.439 101 N N 0.341 118.833 118.700 -0.348 0.000 2.381 101 N HA -0.071 4.691 4.740 0.036 0.000 0.182 101 N C 1.203 176.543 175.510 -0.283 0.000 1.025 101 N CA 0.927 53.812 53.050 -0.277 0.000 0.888 101 N CB 0.026 38.358 38.487 -0.258 0.000 0.965 101 N HN 0.071 nan 8.380 nan 0.000 0.438 102 S N 0.370 115.849 115.700 -0.368 0.000 2.593 102 S HA 0.050 4.541 4.470 0.036 0.000 0.217 102 S C 0.503 175.096 174.600 -0.012 0.000 0.966 102 S CA -0.328 57.758 58.200 -0.190 0.000 0.914 102 S CB -0.289 62.773 63.200 -0.229 0.000 0.776 102 S HN 0.429 nan 8.310 nan 0.000 0.523 103 N N 0.796 119.422 118.700 -0.123 0.000 2.747 103 N HA -0.164 4.598 4.740 0.036 0.000 0.249 103 N C -0.785 174.695 175.510 -0.049 0.000 1.107 103 N CA -0.032 52.973 53.050 -0.074 0.000 0.707 103 N CB -1.191 37.305 38.487 0.014 0.000 1.054 103 N HN 0.362 nan 8.380 nan 0.000 0.555 104 L N 0.813 121.925 121.223 -0.185 0.000 2.395 104 L HA 0.403 4.764 4.340 0.036 0.000 0.269 104 L C -1.749 174.969 176.870 -0.253 0.000 1.133 104 L CA -1.571 53.143 54.840 -0.211 0.000 0.812 104 L CB 0.511 42.365 42.059 -0.342 0.000 1.125 104 L HN 0.004 nan 8.230 nan 0.000 0.452 105 P HA 0.077 nan 4.420 nan 0.000 0.263 105 P C -1.234 176.003 177.300 -0.104 0.000 1.195 105 P CA 0.142 63.118 63.100 -0.207 0.000 0.762 105 P CB 0.459 32.005 31.700 -0.256 0.000 0.799 106 Q N 2.069 121.775 119.800 -0.157 0.000 2.359 106 Q HA 0.468 4.829 4.340 0.036 0.000 0.274 106 Q C -0.774 175.139 176.000 -0.145 0.000 1.074 106 Q CA -0.921 54.821 55.803 -0.102 0.000 0.810 106 Q CB 2.161 30.683 28.738 -0.359 0.000 1.342 106 Q HN 0.321 nan 8.270 nan 0.000 0.427 107 I N 2.094 122.565 120.570 -0.165 0.000 2.371 107 I HA 0.173 4.365 4.170 0.036 0.000 0.290 107 I C -0.063 175.824 176.117 -0.383 0.000 1.028 107 I CA 0.170 61.319 61.300 -0.253 0.000 1.345 107 I CB 1.020 38.857 38.000 -0.272 0.000 1.407 107 I HN 0.650 nan 8.210 nan 0.000 0.501 108 E N 5.462 125.520 120.200 -0.237 0.000 2.256 108 E HA 0.672 5.043 4.350 0.036 0.000 0.243 108 E C -0.746 175.776 176.600 -0.130 0.000 0.925 108 E CA -0.321 55.961 56.400 -0.197 0.000 0.748 108 E CB 1.546 31.193 29.700 -0.089 0.000 1.206 108 E HN 0.761 nan 8.360 nan 0.000 0.428 109 A N 2.739 125.487 122.820 -0.120 0.000 2.540 109 A HA 0.338 4.680 4.320 0.036 0.000 0.291 109 A C -0.882 176.830 177.584 0.213 0.000 1.083 109 A CA -0.892 51.163 52.037 0.030 0.000 0.650 109 A CB 0.866 19.886 19.000 0.034 0.000 1.292 109 A HN 0.416 nan 8.150 nan 0.000 0.435 110 E N -0.107 120.206 120.200 0.187 0.000 2.437 110 E HA 0.157 4.528 4.350 0.036 0.000 0.263 110 E C -0.140 176.627 176.600 0.277 0.000 1.030 110 E CA 0.017 56.547 56.400 0.217 0.000 0.934 110 E CB 0.326 30.081 29.700 0.092 0.000 0.943 110 E HN 0.534 nan 8.360 nan 0.000 0.444 111 M N 3.393 123.059 119.600 0.110 0.000 2.266 111 M HA 0.050 4.552 4.480 0.036 0.000 0.340 111 M C -0.662 175.563 176.300 -0.126 0.000 1.486 111 M CA 0.335 55.501 55.300 -0.224 0.000 1.209 111 M CB -0.242 32.024 32.600 -0.557 0.000 1.714 111 M HN 0.463 nan 8.290 nan 0.000 0.459 112 T N 0.369 114.877 114.554 -0.077 0.000 2.865 112 T HA 0.472 4.844 4.350 0.036 0.000 0.294 112 T C 0.742 175.416 174.700 -0.044 0.000 1.119 112 T CA -0.500 61.573 62.100 -0.046 0.000 1.007 112 T CB 1.136 69.995 68.868 -0.014 0.000 1.225 112 T HN 0.457 nan 8.240 nan 0.000 0.515 113 T N 0.309 114.857 114.554 -0.011 0.000 2.746 113 T HA -0.083 4.288 4.350 0.036 0.000 0.267 113 T C 1.663 176.397 174.700 0.058 0.000 1.039 113 T CA 1.950 64.064 62.100 0.024 0.000 1.142 113 T CB -0.429 68.478 68.868 0.064 0.000 0.866 113 T HN 0.825 nan 8.240 nan 0.000 0.444 114 E N 1.138 121.338 120.200 0.000 0.000 2.051 114 E HA -0.138 4.234 4.350 0.036 0.000 0.192 114 E C 1.957 178.593 176.600 0.060 0.000 0.991 114 E CA 1.325 57.679 56.400 -0.076 0.000 0.799 114 E CB -0.173 29.279 29.700 -0.413 0.000 0.748 114 E HN 0.574 nan 8.360 nan 0.000 0.449 115 N N 0.184 118.912 118.700 0.047 0.000 2.244 115 N HA -0.122 4.639 4.740 0.036 0.000 0.183 115 N C 1.793 177.402 175.510 0.166 0.000 1.016 115 N CA 0.445 53.577 53.050 0.136 0.000 0.866 115 N CB 0.044 38.651 38.487 0.200 0.000 0.980 115 N HN 0.202 nan 8.380 nan 0.000 0.430 116 I N 1.521 122.124 120.570 0.055 0.000 2.286 116 I HA -0.135 4.056 4.170 0.036 0.000 0.245 116 I C 1.932 178.095 176.117 0.077 0.000 1.104 116 I CA 1.053 62.299 61.300 -0.091 0.000 1.397 116 I CB -0.457 37.456 38.000 -0.146 0.000 1.072 116 I HN 0.159 nan 8.210 nan 0.000 0.417 117 I N 0.015 120.732 120.570 0.245 0.000 2.226 117 I HA -0.304 3.887 4.170 0.036 0.000 0.245 117 I C 2.482 178.843 176.117 0.407 0.000 1.100 117 I CA 1.159 62.721 61.300 0.437 0.000 1.374 117 I CB -0.296 38.007 38.000 0.505 0.000 1.057 117 I HN 0.107 nan 8.210 nan 0.000 0.413 118 S N 0.654 116.554 115.700 0.334 0.000 2.383 118 S HA -0.108 4.383 4.470 0.036 0.000 0.227 118 S C 2.256 177.027 174.600 0.286 0.000 1.026 118 S CA 1.194 59.568 58.200 0.291 0.000 0.981 118 S CB -0.280 63.113 63.200 0.322 0.000 0.818 118 S HN 0.537 nan 8.310 nan 0.000 0.472 119 A N 0.727 123.631 122.820 0.140 0.000 1.933 119 A HA -0.045 4.296 4.320 0.036 0.000 0.218 119 A C 1.850 179.463 177.584 0.049 0.000 1.175 119 A CA 1.286 53.320 52.037 -0.005 0.000 0.628 119 A CB -0.862 17.872 19.000 -0.444 0.000 0.814 119 A HN 0.519 nan 8.150 nan 0.000 0.444 120 F N -2.378 117.638 119.950 0.110 0.000 2.163 120 F HA -0.108 4.439 4.527 0.033 0.000 0.297 120 F C 2.227 178.045 175.800 0.030 0.000 1.094 120 F CA 1.410 59.367 58.000 -0.072 0.000 1.290 120 F CB -0.416 38.418 39.000 -0.277 0.000 1.017 120 F HN 0.392 nan 8.300 nan 0.000 0.483 121 Y N -0.216 120.193 120.300 0.181 0.000 2.097 121 Y HA -0.342 4.235 4.550 0.046 0.000 0.282 121 Y C 2.092 178.006 175.900 0.025 0.000 1.152 121 Y CA 1.747 59.885 58.100 0.063 0.000 1.136 121 Y CB -0.925 37.418 38.460 -0.195 0.000 0.975 121 Y HN 0.073 nan 8.280 nan 0.000 0.498 122 Y N -1.254 119.210 120.300 0.274 0.000 2.439 122 Y HA -0.153 4.417 4.550 0.033 0.000 0.292 122 Y C 2.183 178.117 175.900 0.058 0.000 1.130 122 Y CA 0.519 58.698 58.100 0.132 0.000 1.254 122 Y CB -0.196 38.352 38.460 0.147 0.000 1.000 122 Y HN 0.242 nan 8.280 nan 0.000 0.554 123 L N 0.079 121.419 121.223 0.194 0.000 2.046 123 L HA -0.191 4.171 4.340 0.036 0.000 0.208 123 L C 1.856 178.756 176.870 0.051 0.000 1.077 123 L CA 1.652 56.559 54.840 0.110 0.000 0.747 123 L CB -0.634 41.473 42.059 0.081 0.000 0.896 123 L HN 0.214 nan 8.230 nan 0.000 0.432 124 L N -1.405 119.846 121.223 0.046 0.000 2.191 124 L HA -0.250 4.112 4.340 0.036 0.000 0.212 124 L C 2.190 179.079 176.870 0.031 0.000 1.103 124 L CA 0.909 55.719 54.840 -0.050 0.000 0.769 124 L CB -0.554 41.430 42.059 -0.126 0.000 0.908 124 L HN 0.390 nan 8.230 nan 0.000 0.438 125 C N -1.312 118.051 119.300 0.106 0.000 2.618 125 C HA 0.071 4.553 4.460 0.036 0.000 0.264 125 C C 1.365 176.427 174.990 0.119 0.000 1.334 125 C CA -0.276 58.835 59.018 0.156 0.000 1.731 125 C CB -0.885 26.959 27.740 0.173 0.000 1.852 125 C HN 0.300 nan 8.230 nan 0.000 0.566 126 T N 2.126 116.714 114.554 0.057 0.000 2.856 126 T HA 0.205 4.576 4.350 0.036 0.000 0.292 126 T C 0.399 175.178 174.700 0.133 0.000 0.980 126 T CA -0.158 61.960 62.100 0.030 0.000 1.091 126 T CB 0.585 69.432 68.868 -0.034 0.000 0.936 126 T HN 0.230 nan 8.240 nan 0.000 0.503 127 R N 2.485 123.198 120.500 0.356 0.000 2.590 127 R HA 0.222 4.584 4.340 0.036 0.000 0.274 127 R C 0.686 176.990 176.300 0.007 0.000 1.061 127 R CA 0.051 56.261 56.100 0.184 0.000 1.081 127 R CB 0.482 30.916 30.300 0.225 0.000 0.984 127 R HN 0.629 nan 8.270 nan 0.000 0.448 128 R N 1.310 121.813 120.500 0.004 0.000 2.541 128 R HA 0.138 4.500 4.340 0.036 0.000 0.263 128 R C 1.291 177.595 176.300 0.006 0.000 1.112 128 R CA -0.610 55.457 56.100 -0.055 0.000 1.170 128 R CB 0.649 30.872 30.300 -0.128 0.000 1.167 128 R HN 0.484 nan 8.270 nan 0.000 0.582 129 K N 0.354 120.663 120.400 -0.152 0.000 2.283 129 K HA -0.087 4.254 4.320 0.036 0.000 0.202 129 K C 0.827 177.414 176.600 -0.021 0.000 1.048 129 K CA 1.613 57.845 56.287 -0.093 0.000 0.948 129 K CB 0.106 32.175 32.500 -0.720 0.000 0.742 129 K HN 0.674 nan 8.250 nan 0.000 0.458 130 T N -2.912 111.597 114.554 -0.075 0.000 3.144 130 T HA 0.271 4.642 4.350 0.036 0.000 0.249 130 T C 1.155 175.846 174.700 -0.014 0.000 1.089 130 T CA 0.210 62.275 62.100 -0.059 0.000 0.989 130 T CB 0.690 69.500 68.868 -0.096 0.000 0.992 130 T HN 0.368 nan 8.240 nan 0.000 0.540 131 G N 1.144 109.963 108.800 0.032 0.000 2.238 131 G HA2 -0.177 3.805 3.960 0.036 0.000 0.217 131 G HA3 -0.177 3.805 3.960 0.036 0.000 0.217 131 G C -0.054 174.867 174.900 0.035 0.000 0.996 131 G CA -0.306 44.820 45.100 0.044 0.000 0.632 131 G HN 0.507 nan 8.290 nan 0.000 0.503 132 M N 1.764 121.380 119.600 0.027 0.000 2.436 132 M HA 0.593 5.095 4.480 0.036 0.000 0.331 132 M C 0.934 177.262 176.300 0.046 0.000 1.135 132 M CA -1.103 54.225 55.300 0.047 0.000 0.987 132 M CB 2.072 34.720 32.600 0.081 0.000 1.687 132 M HN 0.340 nan 8.290 nan 0.000 0.445 133 I N 0.057 120.669 120.570 0.069 0.000 2.754 133 I HA -0.002 4.189 4.170 0.036 0.000 0.285 133 I C 1.050 177.168 176.117 0.002 0.000 1.166 133 I CA -0.647 60.692 61.300 0.064 0.000 1.417 133 I CB 0.522 38.587 38.000 0.109 0.000 1.382 133 I HN 0.721 nan 8.210 nan 0.000 0.588 134 L N 5.896 127.066 121.223 -0.089 0.000 1.997 134 L HA -0.195 4.167 4.340 0.036 0.000 0.216 134 L C 2.221 178.885 176.870 -0.343 0.000 1.074 134 L CA 2.211 56.877 54.840 -0.290 0.000 0.763 134 L CB -0.636 41.165 42.059 -0.430 0.000 0.890 134 L HN 0.745 nan 8.230 nan 0.000 0.434 135 V N -0.255 119.515 119.914 -0.239 0.000 2.332 135 V HA -0.318 3.824 4.120 0.036 0.000 0.248 135 V C 2.496 178.565 176.094 -0.041 0.000 1.055 135 V CA 2.367 64.552 62.300 -0.192 0.000 1.038 135 V CB -0.365 31.256 31.823 -0.337 0.000 0.651 135 V HN 0.658 nan 8.190 nan 0.000 0.450 136 E N -1.207 119.004 120.200 0.018 0.000 2.152 136 E HA -0.218 4.154 4.350 0.036 0.000 0.192 136 E C 2.066 178.723 176.600 0.094 0.000 0.983 136 E CA 1.185 57.626 56.400 0.067 0.000 0.818 136 E CB -0.367 29.399 29.700 0.111 0.000 0.758 136 E HN 0.831 nan 8.360 nan 0.000 0.467 137 H N -0.089 118.988 119.070 0.011 0.000 2.321 137 H HA -0.166 4.412 4.556 0.035 0.000 0.300 137 H C 1.630 177.065 175.328 0.178 0.000 1.087 137 H CA 1.447 57.528 56.048 0.054 0.000 1.319 137 H CB -0.023 29.735 29.762 -0.007 0.000 1.379 137 H HN 0.220 nan 8.280 nan 0.000 0.501 138 W N 0.933 122.104 121.300 -0.215 0.000 2.402 138 W HA -0.085 4.596 4.660 0.034 0.000 0.286 138 W C 2.677 179.068 176.519 -0.213 0.000 1.221 138 W CA 0.571 57.757 57.345 -0.266 0.000 1.257 138 W CB -0.917 28.459 29.460 -0.139 0.000 1.120 138 W HN 0.067 nan 8.180 nan 0.000 0.551 139 V N 0.874 120.829 119.914 0.069 0.000 2.358 139 V HA -0.273 3.868 4.120 0.036 0.000 0.246 139 V C 2.472 178.537 176.094 -0.049 0.000 1.047 139 V CA 2.359 64.648 62.300 -0.019 0.000 1.035 139 V CB -1.241 30.567 31.823 -0.025 0.000 0.658 139 V HN 0.276 nan 8.190 nan 0.000 0.452 140 S N -0.311 115.371 115.700 -0.031 0.000 2.474 140 S HA -0.120 4.372 4.470 0.036 0.000 0.235 140 S C 1.464 176.026 174.600 -0.064 0.000 0.997 140 S CA 1.070 59.252 58.200 -0.030 0.000 0.949 140 S CB -0.304 62.907 63.200 0.019 0.000 0.766 140 S HN 0.724 nan 8.310 nan 0.000 0.517 141 E N 0.545 120.679 120.200 -0.110 0.000 2.463 141 E HA 0.265 4.636 4.350 0.036 0.000 0.193 141 E C 1.079 177.600 176.600 -0.130 0.000 1.041 141 E CA 0.384 56.707 56.400 -0.128 0.000 0.879 141 E CB 0.399 29.984 29.700 -0.192 0.000 0.997 141 E HN 0.723 nan 8.360 nan 0.000 0.478 142 G N 1.542 110.268 108.800 -0.123 0.000 2.184 142 G HA2 -0.261 3.721 3.960 0.036 0.000 0.206 142 G HA3 -0.261 3.721 3.960 0.036 0.000 0.206 142 G C 0.822 175.622 174.900 -0.167 0.000 0.995 142 G CA 0.236 45.252 45.100 -0.140 0.000 0.651 142 G HN 0.287 nan 8.290 nan 0.000 0.511 143 L N 0.032 121.158 121.223 -0.162 0.000 2.043 143 L HA 0.289 4.650 4.340 0.036 0.000 0.212 143 L C 1.136 177.886 176.870 -0.201 0.000 1.075 143 L CA 2.072 56.801 54.840 -0.185 0.000 0.752 143 L CB -0.127 41.882 42.059 -0.084 0.000 0.891 143 L HN 0.421 nan 8.230 nan 0.000 0.432 144 L N -0.306 120.801 121.223 -0.192 0.000 2.341 144 L HA 0.479 4.840 4.340 0.036 0.000 0.267 144 L C -2.231 174.499 176.870 -0.233 0.000 1.009 144 L CA -2.064 52.629 54.840 -0.246 0.000 0.819 144 L CB 1.691 43.553 42.059 -0.327 0.000 1.323 144 L HN -0.101 nan 8.230 nan 0.000 0.425 145 P HA 0.220 nan 4.420 nan 0.000 0.278 145 P C -0.982 176.179 177.300 -0.231 0.000 1.266 145 P CA -0.508 62.471 63.100 -0.202 0.000 0.807 145 P CB 1.089 32.689 31.700 -0.167 0.000 1.094 146 L N 2.148 123.251 121.223 -0.201 0.000 2.358 146 L HA 0.138 4.500 4.340 0.036 0.000 0.274 146 L C 1.032 177.749 176.870 -0.256 0.000 1.136 146 L CA -0.048 54.656 54.840 -0.226 0.000 0.970 146 L CB -0.272 41.676 42.059 -0.185 0.000 1.314 146 L HN 0.409 nan 8.230 nan 0.000 0.427 147 D N 0.488 120.707 120.400 -0.302 0.000 2.369 147 D HA -0.065 4.597 4.640 0.036 0.000 0.211 147 D C 0.316 176.251 176.300 -0.607 0.000 1.077 147 D CA -0.404 53.400 54.000 -0.326 0.000 0.842 147 D CB -0.129 40.594 40.800 -0.129 0.000 0.947 147 D HN 0.465 nan 8.370 nan 0.000 0.509 148 N N -0.465 117.787 118.700 -0.747 0.000 2.735 148 N HA -0.201 4.560 4.740 0.036 0.000 0.248 148 N C -1.008 173.715 175.510 -1.312 0.000 1.083 148 N CA 0.615 52.971 53.050 -1.156 0.000 0.703 148 N CB -1.742 36.370 38.487 -0.624 0.000 1.005 148 N HN 0.552 nan 8.380 nan 0.000 0.550 149 H N -1.622 116.889 119.070 -0.932 0.000 2.797 149 H HA 0.371 4.949 4.556 0.037 0.000 0.372 149 H C -0.683 174.378 175.328 -0.445 0.000 1.168 149 H CA -0.851 54.887 56.048 -0.517 0.000 1.163 149 H CB 0.934 30.563 29.762 -0.221 0.000 1.778 149 H HN 0.021 nan 8.280 nan 0.000 0.551 150 Y N 0.859 121.152 120.300 -0.012 0.000 2.359 150 Y HA 0.141 4.713 4.550 0.036 0.000 0.330 150 Y C -0.041 175.566 175.900 -0.488 0.000 1.143 150 Y CA 0.404 58.401 58.100 -0.171 0.000 1.318 150 Y CB 0.414 38.726 38.460 -0.247 0.000 1.234 150 Y HN 0.515 nan 8.280 nan 0.000 0.522 151 H N 2.961 121.834 119.070 -0.328 0.000 2.744 151 H HA 0.398 4.976 4.556 0.036 0.000 0.339 151 H C -1.421 173.741 175.328 -0.277 0.000 1.004 151 H CA -0.834 55.083 56.048 -0.219 0.000 1.257 151 H CB 0.851 30.567 29.762 -0.077 0.000 1.552 151 H HN 0.450 nan 8.280 nan 0.000 0.522 152 F N 2.779 122.896 119.950 0.279 0.000 2.480 152 F HA 0.468 5.016 4.527 0.035 0.000 0.329 152 F C -0.670 175.316 175.800 0.309 0.000 1.091 152 F CA -0.960 57.199 58.000 0.265 0.000 0.972 152 F CB 1.593 40.697 39.000 0.173 0.000 1.150 152 F HN 0.373 nan 8.300 nan 0.000 0.467 153 F N 3.433 123.584 119.950 0.335 0.000 2.585 153 F HA 0.305 4.855 4.527 0.037 0.000 0.319 153 F C 0.216 176.133 175.800 0.195 0.000 1.165 153 F CA -0.933 57.198 58.000 0.218 0.000 0.949 153 F CB 1.151 40.235 39.000 0.140 0.000 1.218 153 F HN 0.692 nan 8.300 nan 0.000 0.453 154 N N 4.791 123.197 118.700 -0.489 0.000 2.725 154 N HA -0.231 4.530 4.740 0.036 0.000 0.251 154 N C -0.433 175.080 175.510 0.005 0.000 1.031 154 N CA 1.200 54.095 53.050 -0.258 0.000 0.720 154 N CB -0.625 37.648 38.487 -0.357 0.000 0.930 154 N HN 0.926 nan 8.380 nan 0.000 0.543 155 D N -2.104 118.326 120.400 0.051 0.000 3.077 155 D HA -0.184 4.478 4.640 0.036 0.000 0.217 155 D C -0.262 176.152 176.300 0.190 0.000 1.162 155 D CA 1.413 55.454 54.000 0.069 0.000 0.943 155 D CB -0.750 40.063 40.800 0.022 0.000 1.122 155 D HN 0.568 nan 8.370 nan 0.000 0.413 156 K N -0.262 120.323 120.400 0.308 0.000 2.203 156 K HA 0.557 4.899 4.320 0.036 0.000 0.251 156 K C -0.268 176.663 176.600 0.551 0.000 0.944 156 K CA -0.516 56.004 56.287 0.389 0.000 0.829 156 K CB 1.925 34.615 32.500 0.316 0.000 1.125 156 K HN -0.047 nan 8.250 nan 0.000 0.430 157 S N 2.757 118.795 115.700 0.564 0.000 2.513 157 S HA 0.413 4.904 4.470 0.036 0.000 0.276 157 S C -0.268 174.496 174.600 0.273 0.000 1.254 157 S CA -0.707 57.785 58.200 0.487 0.000 1.053 157 S CB 0.079 63.679 63.200 0.666 0.000 0.958 157 S HN 0.411 nan 8.310 nan 0.000 0.491 158 L N 3.355 124.694 121.223 0.192 0.000 2.416 158 L HA 0.549 4.910 4.340 0.036 0.000 0.262 158 L C 0.754 177.667 176.870 0.071 0.000 1.093 158 L CA -0.949 53.957 54.840 0.111 0.000 0.801 158 L CB 0.776 42.892 42.059 0.095 0.000 1.191 158 L HN 0.744 nan 8.230 nan 0.000 0.459 159 A N 0.254 123.073 122.820 -0.001 0.000 3.026 159 A HA 0.257 4.598 4.320 0.036 0.000 0.272 159 A C 0.847 178.415 177.584 -0.027 0.000 1.782 159 A CA -0.168 51.861 52.037 -0.013 0.000 1.451 159 A CB -1.004 17.962 19.000 -0.056 0.000 1.081 159 A HN 0.815 nan 8.150 nan 0.000 0.611 160 T N -2.374 112.180 114.554 -0.001 0.000 3.092 160 T HA 0.365 4.736 4.350 0.036 0.000 0.258 160 T C -0.129 174.391 174.700 -0.300 0.000 1.031 160 T CA -0.121 61.875 62.100 -0.173 0.000 0.925 160 T CB -0.468 68.257 68.868 -0.238 0.000 1.036 160 T HN 0.225 nan 8.240 nan 0.000 0.544 161 F N 2.380 122.219 119.950 -0.184 0.000 2.410 161 F HA 0.434 4.982 4.527 0.035 0.000 0.349 161 F C 0.520 176.186 175.800 -0.223 0.000 1.117 161 F CA -1.859 56.014 58.000 -0.211 0.000 1.104 161 F CB 0.911 39.784 39.000 -0.212 0.000 1.122 161 F HN -0.023 nan 8.300 nan 0.000 0.483 162 D N 1.802 122.138 120.400 -0.108 0.000 2.346 162 D HA -0.018 4.643 4.640 0.036 0.000 0.260 162 D C 1.217 177.399 176.300 -0.196 0.000 1.252 162 D CA 0.262 54.169 54.000 -0.156 0.000 0.895 162 D CB 1.024 41.731 40.800 -0.156 0.000 1.097 162 D HN 0.608 nan 8.370 nan 0.000 0.489 163 S N 1.623 117.131 115.700 -0.321 0.000 2.474 163 S HA -0.176 4.316 4.470 0.036 0.000 0.235 163 S C 1.766 176.180 174.600 -0.310 0.000 0.997 163 S CA 0.975 58.872 58.200 -0.505 0.000 0.949 163 S CB -0.194 62.330 63.200 -1.126 0.000 0.766 163 S HN 0.400 nan 8.310 nan 0.000 0.517 164 S N 1.371 116.947 115.700 -0.206 0.000 2.522 164 S HA 0.211 4.703 4.470 0.036 0.000 0.227 164 S C 1.312 175.837 174.600 -0.125 0.000 0.986 164 S CA 0.138 58.255 58.200 -0.137 0.000 0.929 164 S CB -0.649 62.487 63.200 -0.105 0.000 0.769 164 S HN 0.591 nan 8.310 nan 0.000 0.529 165 L N 1.202 122.345 121.223 -0.133 0.000 2.741 165 L HA 0.429 4.790 4.340 0.036 0.000 0.237 165 L C -0.101 176.699 176.870 -0.117 0.000 1.178 165 L CA -0.300 54.472 54.840 -0.113 0.000 0.973 165 L CB -0.192 41.805 42.059 -0.104 0.000 1.255 165 L HN 0.204 nan 8.230 nan 0.000 0.498 166 L N 0.984 122.126 121.223 -0.135 0.000 2.453 166 L HA 0.103 4.464 4.340 0.036 0.000 0.272 166 L C 0.545 177.333 176.870 -0.137 0.000 1.182 166 L CA 0.178 54.939 54.840 -0.132 0.000 0.858 166 L CB 0.352 42.335 42.059 -0.126 0.000 1.120 166 L HN 0.120 nan 8.230 nan 0.000 0.474 167 E N 3.984 124.097 120.200 -0.146 0.000 2.216 167 E HA 0.368 4.739 4.350 0.036 0.000 0.279 167 E C -0.645 175.861 176.600 -0.156 0.000 0.997 167 E CA -0.509 55.801 56.400 -0.150 0.000 0.817 167 E CB 1.756 31.361 29.700 -0.157 0.000 1.096 167 E HN 0.407 nan 8.360 nan 0.000 0.393 168 R N 2.482 122.866 120.500 -0.194 0.000 2.371 168 R HA 0.309 4.671 4.340 0.036 0.000 0.312 168 R C -0.333 175.931 176.300 -0.060 0.000 0.980 168 R CA -0.306 55.627 56.100 -0.279 0.000 0.867 168 R CB 1.340 31.129 30.300 -0.851 0.000 1.163 168 R HN 0.462 nan 8.270 nan 0.000 0.492 169 E N 1.438 121.743 120.200 0.174 0.000 2.299 169 E HA 0.542 4.913 4.350 0.036 0.000 0.265 169 E C -0.900 175.876 176.600 0.292 0.000 0.911 169 E CA -1.086 55.447 56.400 0.221 0.000 0.789 169 E CB 2.892 32.673 29.700 0.134 0.000 1.246 169 E HN 0.056 nan 8.360 nan 0.000 0.427 170 V N 2.220 122.255 119.914 0.201 0.000 2.735 170 V HA 0.602 4.743 4.120 0.036 0.000 0.310 170 V C -0.935 175.086 176.094 -0.123 0.000 1.061 170 V CA -0.708 61.577 62.300 -0.025 0.000 0.913 170 V CB 1.369 33.168 31.823 -0.040 0.000 1.005 170 V HN 0.571 nan 8.190 nan 0.000 0.428 171 L N 0.445 121.425 121.223 -0.405 0.000 2.838 171 L HA 0.699 5.061 4.340 0.036 0.000 0.266 171 L C -1.813 174.746 176.870 -0.518 0.000 1.040 171 L CA -0.776 53.902 54.840 -0.271 0.000 0.906 171 L CB 1.925 43.916 42.059 -0.115 0.000 1.501 171 L HN 0.563 nan 8.230 nan 0.000 0.407 172 W N 1.477 122.689 121.300 -0.146 0.000 2.417 172 W HA 0.700 5.381 4.660 0.036 0.000 0.315 172 W C -0.559 175.860 176.519 -0.168 0.000 1.045 172 W CA -0.966 56.310 57.345 -0.114 0.000 1.221 172 W CB 2.194 31.635 29.460 -0.032 0.000 1.309 172 W HN 0.536 nan 8.180 nan 0.000 0.453 173 V N 3.950 123.820 119.914 -0.074 0.000 2.509 173 V HA 0.194 4.335 4.120 0.036 0.000 0.284 173 V C 0.012 176.131 176.094 0.042 0.000 1.047 173 V CA -0.231 61.979 62.300 -0.150 0.000 0.952 173 V CB 1.547 33.260 31.823 -0.183 0.000 0.988 173 V HN 0.587 nan 8.190 nan 0.000 0.469 174 E N 4.699 124.925 120.200 0.043 0.000 2.129 174 E HA 0.335 4.706 4.350 0.036 0.000 0.283 174 E C 0.111 176.770 176.600 0.098 0.000 1.080 174 E CA -0.260 56.224 56.400 0.139 0.000 0.867 174 E CB 0.648 30.456 29.700 0.180 0.000 1.056 174 E HN 0.934 nan 8.360 nan 0.000 0.404 175 S N 4.053 119.818 115.700 0.108 0.000 2.652 175 S HA 0.419 4.911 4.470 0.036 0.000 0.270 175 S C -1.899 172.760 174.600 0.098 0.000 1.243 175 S CA -1.214 57.047 58.200 0.102 0.000 0.999 175 S CB 1.496 64.766 63.200 0.116 0.000 0.973 175 S HN 0.484 nan 8.310 nan 0.000 0.544 176 P HA 0.231 nan 4.420 nan 0.000 0.248 176 P C -0.144 177.220 177.300 0.106 0.000 1.708 176 P CA -0.190 62.951 63.100 0.067 0.000 1.062 176 P CB -0.200 31.502 31.700 0.003 0.000 1.562 177 V N -3.131 116.864 119.914 0.134 0.000 2.960 177 V HA 0.718 4.859 4.120 0.036 0.000 0.315 177 V C -0.800 175.367 176.094 0.121 0.000 1.087 177 V CA -0.819 61.573 62.300 0.153 0.000 0.982 177 V CB 2.679 34.614 31.823 0.188 0.000 1.039 177 V HN -0.206 nan 8.190 nan 0.000 0.437 178 D N 1.739 122.208 120.400 0.114 0.000 2.656 178 D HA 0.251 4.912 4.640 0.036 0.000 0.303 178 D C 1.293 177.654 176.300 0.102 0.000 1.199 178 D CA 0.479 54.537 54.000 0.097 0.000 0.797 178 D CB 0.977 41.823 40.800 0.076 0.000 1.170 178 D HN 0.846 nan 8.370 nan 0.000 0.509 179 S N 0.671 116.446 115.700 0.125 0.000 2.440 179 S HA -0.170 4.321 4.470 0.036 0.000 0.240 179 S C 1.086 175.763 174.600 0.128 0.000 1.014 179 S CA 0.945 59.233 58.200 0.147 0.000 0.980 179 S CB -0.010 63.307 63.200 0.196 0.000 0.775 179 S HN 0.457 nan 8.310 nan 0.000 0.499 180 E N 0.195 120.459 120.200 0.107 0.000 2.548 180 E HA 0.195 4.566 4.350 0.036 0.000 0.206 180 E C -0.734 175.887 176.600 0.035 0.000 1.005 180 E CA -0.341 56.098 56.400 0.064 0.000 0.951 180 E CB 0.185 29.938 29.700 0.088 0.000 1.035 180 E HN 0.427 nan 8.360 nan 0.000 0.470 181 Q N 0.357 120.183 119.800 0.043 0.000 2.437 181 Q HA -0.239 4.122 4.340 0.036 0.000 0.354 181 Q C 0.336 176.351 176.000 0.024 0.000 1.402 181 Q CA 0.484 56.306 55.803 0.031 0.000 1.020 181 Q CB -1.056 27.692 28.738 0.016 0.000 1.220 181 Q HN 0.247 nan 8.270 nan 0.000 0.368 182 R N -0.316 120.203 120.500 0.031 0.000 2.334 182 R HA 0.269 4.631 4.340 0.036 0.000 0.212 182 R C 1.364 177.676 176.300 0.020 0.000 0.897 182 R CA 0.478 56.592 56.100 0.023 0.000 1.056 182 R CB 0.647 30.964 30.300 0.028 0.000 1.046 182 R HN 0.562 nan 8.270 nan 0.000 0.513 183 G N 1.057 109.873 108.800 0.025 0.000 2.132 183 G HA2 -0.260 3.722 3.960 0.036 0.000 0.234 183 G HA3 -0.260 3.722 3.960 0.036 0.000 0.234 183 G C -0.309 174.605 174.900 0.024 0.000 0.989 183 G CA -0.087 45.026 45.100 0.023 0.000 0.676 183 G HN 0.362 nan 8.290 nan 0.000 0.522 184 E N -0.748 119.470 120.200 0.031 0.000 2.408 184 E HA 0.433 4.805 4.350 0.036 0.000 0.275 184 E C -0.731 175.898 176.600 0.049 0.000 0.935 184 E CA -1.090 55.329 56.400 0.032 0.000 0.775 184 E CB 0.999 30.709 29.700 0.017 0.000 1.277 184 E HN 0.189 nan 8.360 nan 0.000 0.455 185 N N 1.262 119.997 118.700 0.058 0.000 2.520 185 N HA 0.103 4.865 4.740 0.036 0.000 0.273 185 N C -1.173 174.387 175.510 0.085 0.000 1.155 185 N CA -0.032 53.066 53.050 0.079 0.000 0.967 185 N CB 0.435 38.979 38.487 0.095 0.000 1.092 185 N HN 0.274 nan 8.380 nan 0.000 0.457 186 D N 1.457 121.916 120.400 0.098 0.000 2.348 186 D HA 0.114 4.776 4.640 0.036 0.000 0.253 186 D C -0.008 176.366 176.300 0.123 0.000 1.161 186 D CA 0.025 54.088 54.000 0.104 0.000 0.876 186 D CB 0.641 41.509 40.800 0.113 0.000 1.160 186 D HN 0.272 nan 8.370 nan 0.000 0.459 187 L N 3.129 124.433 121.223 0.134 0.000 2.305 187 L HA 0.323 4.685 4.340 0.036 0.000 0.281 187 L C 0.040 177.057 176.870 0.245 0.000 1.085 187 L CA -0.635 54.328 54.840 0.205 0.000 0.813 187 L CB 0.967 43.140 42.059 0.191 0.000 1.157 187 L HN 0.134 nan 8.230 nan 0.000 0.436 188 I N 3.619 124.308 120.570 0.199 0.000 2.382 188 I HA 0.255 4.447 4.170 0.036 0.000 0.286 188 I C 0.170 176.244 176.117 -0.072 0.000 1.002 188 I CA -0.609 60.743 61.300 0.088 0.000 1.135 188 I CB 1.480 39.499 38.000 0.033 0.000 1.288 188 I HN 0.612 nan 8.210 nan 0.000 0.448 189 K N 7.837 128.104 120.400 -0.221 0.000 2.326 189 K HA 0.555 4.897 4.320 0.036 0.000 0.275 189 K C -0.690 175.650 176.600 -0.433 0.000 1.018 189 K CA -0.218 55.637 56.287 -0.719 0.000 0.962 189 K CB 1.010 33.119 32.500 -0.651 0.000 0.953 189 K HN 0.714 nan 8.250 nan 0.000 0.475 190 I N -0.068 120.210 120.570 -0.488 0.000 2.769 190 I HA 0.328 4.520 4.170 0.036 0.000 0.298 190 I C -1.394 174.573 176.117 -0.250 0.000 1.128 190 I CA -1.003 60.134 61.300 -0.272 0.000 1.031 190 I CB 2.346 40.239 38.000 -0.178 0.000 1.235 190 I HN 0.550 nan 8.210 nan 0.000 0.423 191 Q N 5.257 124.969 119.800 -0.146 0.000 2.322 191 Q HA 0.662 5.023 4.340 0.036 0.000 0.265 191 Q C -1.234 174.863 176.000 0.163 0.000 0.985 191 Q CA -0.666 55.071 55.803 -0.111 0.000 0.849 191 Q CB 3.032 31.523 28.738 -0.412 0.000 1.274 191 Q HN 0.608 nan 8.270 nan 0.000 0.449 192 I N 3.503 124.246 120.570 0.288 0.000 2.433 192 I HA 0.463 4.655 4.170 0.036 0.000 0.292 192 I C -0.558 175.713 176.117 0.258 0.000 1.001 192 I CA -0.697 60.752 61.300 0.249 0.000 1.119 192 I CB 1.545 39.649 38.000 0.174 0.000 1.289 192 I HN 0.450 nan 8.210 nan 0.000 0.438 193 I N 6.926 127.606 120.570 0.182 0.000 2.439 193 I HA 0.446 4.638 4.170 0.036 0.000 0.283 193 I C -0.507 175.592 176.117 -0.030 0.000 1.023 193 I CA -0.582 60.779 61.300 0.103 0.000 1.100 193 I CB 1.222 39.362 38.000 0.234 0.000 1.238 193 I HN 0.615 nan 8.210 nan 0.000 0.445 194 R N 6.455 126.859 120.500 -0.161 0.000 2.673 194 R HA 0.693 5.055 4.340 0.036 0.000 0.281 194 R C -3.234 172.956 176.300 -0.183 0.000 0.991 194 R CA -1.764 54.196 56.100 -0.234 0.000 0.896 194 R CB 2.502 32.477 30.300 -0.541 0.000 1.201 194 R HN 0.142 nan 8.270 nan 0.000 0.457 195 P HA 0.116 nan 4.420 nan 0.000 0.276 195 P C -1.117 176.157 177.300 -0.044 0.000 1.261 195 P CA -0.601 62.447 63.100 -0.086 0.000 0.800 195 P CB 1.028 32.677 31.700 -0.085 0.000 1.066 196 K N 0.524 120.927 120.400 0.005 0.000 2.298 196 K HA 0.368 4.709 4.320 0.036 0.000 0.280 196 K C -0.374 176.271 176.600 0.075 0.000 1.032 196 K CA 0.018 56.303 56.287 -0.004 0.000 0.958 196 K CB 0.107 32.576 32.500 -0.050 0.000 0.978 196 K HN 0.448 nan 8.250 nan 0.000 0.472 197 S N 1.327 117.064 115.700 0.063 0.000 2.543 197 S HA 0.136 4.627 4.470 0.036 0.000 0.274 197 S C -0.002 174.654 174.600 0.094 0.000 1.149 197 S CA -0.524 57.747 58.200 0.118 0.000 0.866 197 S CB 1.333 64.650 63.200 0.195 0.000 1.111 197 S HN 0.739 nan 8.310 nan 0.000 0.457 198 T N 0.106 114.724 114.554 0.106 0.000 3.188 198 T HA 0.327 4.698 4.350 0.036 0.000 0.250 198 T C 0.206 174.981 174.700 0.125 0.000 1.077 198 T CA 0.027 62.190 62.100 0.106 0.000 0.967 198 T CB -0.583 68.354 68.868 0.115 0.000 1.006 198 T HN 0.719 nan 8.240 nan 0.000 0.552 199 E N -0.020 120.274 120.200 0.157 0.000 2.408 199 E HA 0.428 4.799 4.350 0.036 0.000 0.275 199 E C -1.149 175.543 176.600 0.154 0.000 0.935 199 E CA -1.396 55.095 56.400 0.151 0.000 0.775 199 E CB 1.211 31.024 29.700 0.189 0.000 1.277 199 E HN -0.160 nan 8.360 nan 0.000 0.455 200 K N 1.683 122.146 120.400 0.104 0.000 2.524 200 K HA 0.116 4.458 4.320 0.036 0.000 0.279 200 K C -0.111 176.553 176.600 0.107 0.000 0.993 200 K CA 0.317 56.652 56.287 0.079 0.000 1.030 200 K CB 0.111 32.606 32.500 -0.007 0.000 0.891 200 K HN 0.445 nan 8.250 nan 0.000 0.488 201 L N 5.074 126.390 121.223 0.155 0.000 2.317 201 L HA 0.336 4.698 4.340 0.036 0.000 0.281 201 L C -1.997 174.916 176.870 0.072 0.000 1.024 201 L CA -2.367 52.552 54.840 0.132 0.000 0.810 201 L CB 1.601 43.787 42.059 0.212 0.000 1.240 201 L HN 0.371 nan 8.230 nan 0.000 0.427 202 P HA 0.117 nan 4.420 nan 0.000 0.272 202 P C -0.894 176.458 177.300 0.088 0.000 1.254 202 P CA -0.239 62.838 63.100 -0.038 0.000 0.795 202 P CB 0.850 32.466 31.700 -0.139 0.000 1.022 203 V N 0.184 120.158 119.914 0.100 0.000 2.841 203 V HA 0.255 4.397 4.120 0.036 0.000 0.310 203 V C -0.356 175.790 176.094 0.087 0.000 1.090 203 V CA -0.686 61.704 62.300 0.150 0.000 0.930 203 V CB 2.572 34.480 31.823 0.142 0.000 1.014 203 V HN 0.150 nan 8.190 nan 0.000 0.425 204 V N 5.505 125.481 119.914 0.103 0.000 2.293 204 V HA 0.440 4.582 4.120 0.036 0.000 0.275 204 V C -0.031 176.055 176.094 -0.013 0.000 1.021 204 V CA -0.181 62.144 62.300 0.041 0.000 0.815 204 V CB 1.222 33.111 31.823 0.109 0.000 1.025 204 V HN 0.870 nan 8.190 nan 0.000 0.448 205 M N 3.946 123.529 119.600 -0.028 0.000 2.264 205 M HA 0.520 5.022 4.480 0.036 0.000 0.352 205 M C -0.456 175.808 176.300 -0.060 0.000 1.173 205 M CA 0.119 55.377 55.300 -0.070 0.000 1.075 205 M CB 1.556 34.144 32.600 -0.019 0.000 1.621 205 M HN 0.558 nan 8.290 nan 0.000 0.457 206 T N 3.959 118.432 114.554 -0.135 0.000 2.864 206 T HA 0.578 4.949 4.350 0.036 0.000 0.299 206 T C -0.756 173.958 174.700 0.023 0.000 1.011 206 T CA -0.593 61.509 62.100 0.002 0.000 0.975 206 T CB 1.118 70.048 68.868 0.104 0.000 0.962 206 T HN 0.696 nan 8.240 nan 0.000 0.448 207 A N 2.928 125.765 122.820 0.028 0.000 2.391 207 A HA 0.645 4.986 4.320 0.036 0.000 0.316 207 A C 0.417 177.981 177.584 -0.033 0.000 1.381 207 A CA -0.512 51.517 52.037 -0.013 0.000 0.998 207 A CB 0.184 19.172 19.000 -0.021 0.000 1.147 207 A HN 0.618 nan 8.150 nan 0.000 0.545 208 S N 3.676 119.348 115.700 -0.047 0.000 2.707 208 S HA 0.573 5.064 4.470 0.036 0.000 0.312 208 S C -2.291 172.164 174.600 -0.242 0.000 1.116 208 S CA -1.304 56.828 58.200 -0.114 0.000 1.078 208 S CB 1.279 64.530 63.200 0.084 0.000 0.997 208 S HN 0.350 nan 8.310 nan 0.000 0.477 209 P HA 0.052 nan 4.420 nan 0.000 0.233 209 P C 0.175 177.252 177.300 -0.373 0.000 1.167 209 P CA 0.749 63.512 63.100 -0.563 0.000 0.770 209 P CB -0.045 31.062 31.700 -0.989 0.000 0.837 210 Y N -2.661 117.525 120.300 -0.191 0.000 2.365 210 Y HA -0.098 4.473 4.550 0.036 0.000 0.293 210 Y C 2.727 178.538 175.900 -0.148 0.000 1.119 210 Y CA 0.432 58.435 58.100 -0.161 0.000 1.203 210 Y CB -0.881 37.445 38.460 -0.222 0.000 1.026 210 Y HN 0.098 nan 8.280 nan 0.000 0.549 211 H N 0.407 119.438 119.070 -0.064 0.000 2.304 211 H HA -0.233 4.345 4.556 0.036 0.000 0.287 211 H C 1.266 176.575 175.328 -0.032 0.000 1.112 211 H CA 1.723 57.742 56.048 -0.048 0.000 1.200 211 H CB -0.036 29.741 29.762 0.025 0.000 1.349 211 H HN 0.181 nan 8.280 nan 0.000 0.477 212 L N 0.361 121.566 121.223 -0.029 0.000 2.629 212 L HA 0.229 4.590 4.340 0.036 0.000 0.230 212 L C 0.970 177.799 176.870 -0.069 0.000 1.151 212 L CA 1.001 55.792 54.840 -0.082 0.000 0.924 212 L CB -0.315 41.726 42.059 -0.030 0.000 1.137 212 L HN 0.559 nan 8.230 nan 0.000 0.457 213 G N -0.039 108.726 108.800 -0.059 0.000 2.428 213 G HA2 0.096 4.077 3.960 0.036 0.000 0.681 213 G HA3 0.096 4.077 3.960 0.036 0.000 0.681 213 G C -1.622 173.276 174.900 -0.003 0.000 1.340 213 G CA -0.830 44.248 45.100 -0.037 0.000 0.915 213 G HN -0.111 nan 8.290 nan 0.000 0.645 214 I N 0.293 120.869 120.570 0.010 0.000 2.785 214 I HA 0.561 4.753 4.170 0.036 0.000 0.302 214 I C 0.109 176.248 176.117 0.038 0.000 1.069 214 I CA -1.155 60.175 61.300 0.050 0.000 1.045 214 I CB 2.312 40.347 38.000 0.059 0.000 1.236 214 I HN 0.604 nan 8.210 nan 0.000 0.429 215 N N 3.830 122.567 118.700 0.060 0.000 2.936 215 N HA 0.182 4.943 4.740 0.036 0.000 0.243 215 N C -0.039 175.514 175.510 0.073 0.000 1.149 215 N CA -0.267 52.817 53.050 0.056 0.000 0.914 215 N CB 0.452 38.977 38.487 0.063 0.000 1.179 215 N HN 0.530 nan 8.380 nan 0.000 0.502 216 D N 1.774 122.209 120.400 0.058 0.000 2.123 216 D HA -0.178 4.484 4.640 0.036 0.000 0.196 216 D C 1.387 177.726 176.300 0.065 0.000 0.992 216 D CA 1.263 55.302 54.000 0.065 0.000 0.833 216 D CB 0.415 41.246 40.800 0.051 0.000 0.954 216 D HN 0.559 nan 8.370 nan 0.000 0.455 217 K N 0.638 121.070 120.400 0.053 0.000 2.009 217 K HA -0.115 4.226 4.320 0.036 0.000 0.210 217 K C 2.183 178.824 176.600 0.068 0.000 1.049 217 K CA 1.173 57.491 56.287 0.052 0.000 0.929 217 K CB -0.142 32.381 32.500 0.038 0.000 0.714 217 K HN 0.001 nan 8.250 nan 0.000 0.440 218 A N 2.095 124.967 122.820 0.087 0.000 1.972 218 A HA -0.223 4.119 4.320 0.036 0.000 0.219 218 A C 1.946 179.593 177.584 0.105 0.000 1.169 218 A CA 1.655 53.762 52.037 0.117 0.000 0.635 218 A CB -0.661 18.438 19.000 0.164 0.000 0.810 218 A HN 0.382 nan 8.150 nan 0.000 0.446 219 N N 0.444 119.204 118.700 0.101 0.000 2.039 219 N HA -0.193 4.568 4.740 0.036 0.000 0.193 219 N C 0.977 176.530 175.510 0.071 0.000 1.044 219 N CA 1.934 55.042 53.050 0.097 0.000 0.847 219 N CB -0.388 38.166 38.487 0.112 0.000 1.030 219 N HN 0.394 nan 8.380 nan 0.000 0.422 220 D N 0.993 121.435 120.400 0.069 0.000 2.182 220 D HA -0.115 4.547 4.640 0.036 0.000 0.201 220 D C 2.086 178.403 176.300 0.030 0.000 0.986 220 D CA 0.566 54.599 54.000 0.056 0.000 0.847 220 D CB -0.282 40.552 40.800 0.056 0.000 0.942 220 D HN 0.391 nan 8.370 nan 0.000 0.467 221 L N 0.289 121.531 121.223 0.031 0.000 2.217 221 L HA -0.009 4.353 4.340 0.036 0.000 0.211 221 L C 2.307 179.162 176.870 -0.025 0.000 1.107 221 L CA 0.762 55.611 54.840 0.015 0.000 0.783 221 L CB -0.263 41.819 42.059 0.037 0.000 0.919 221 L HN -0.031 nan 8.230 nan 0.000 0.442 222 A N -0.547 122.251 122.820 -0.038 0.000 2.178 222 A HA 0.065 4.407 4.320 0.036 0.000 0.211 222 A C 0.939 178.346 177.584 -0.296 0.000 1.157 222 A CA -0.151 51.806 52.037 -0.133 0.000 0.780 222 A CB -0.184 18.772 19.000 -0.073 0.000 0.828 222 A HN 0.162 nan 8.150 nan 0.000 0.476 223 L N 1.676 122.804 121.223 -0.159 0.000 2.615 223 L HA -0.014 4.347 4.340 0.036 0.000 0.284 223 L C 0.073 176.816 176.870 -0.211 0.000 1.237 223 L CA 0.692 55.451 54.840 -0.135 0.000 0.905 223 L CB -0.574 41.481 42.059 -0.007 0.000 1.149 223 L HN 0.436 nan 8.230 nan 0.000 0.499 224 H N 2.096 121.172 119.070 0.009 0.000 2.511 224 H HA 0.212 4.789 4.556 0.036 0.000 0.346 224 H C -0.267 175.064 175.328 0.005 0.000 1.128 224 H CA -0.487 55.560 56.048 -0.002 0.000 1.342 224 H CB 0.609 30.358 29.762 -0.021 0.000 1.470 224 H HN 0.497 nan 8.280 nan 0.000 0.546 225 D N 2.496 122.973 120.400 0.129 0.000 2.317 225 D HA -0.015 4.646 4.640 0.036 0.000 0.252 225 D C 0.513 176.856 176.300 0.072 0.000 1.174 225 D CA -0.233 53.816 54.000 0.081 0.000 0.866 225 D CB 0.822 41.663 40.800 0.067 0.000 1.127 225 D HN 0.427 nan 8.370 nan 0.000 0.467 226 M N 2.175 121.805 119.600 0.050 0.000 2.447 226 M HA -0.005 4.496 4.480 0.036 0.000 0.264 226 M C 0.551 176.875 176.300 0.041 0.000 1.095 226 M CA 0.327 55.639 55.300 0.020 0.000 1.125 226 M CB -0.540 32.051 32.600 -0.015 0.000 1.389 226 M HN 0.288 nan 8.290 nan 0.000 0.459 227 N N 2.613 121.355 118.700 0.071 0.000 3.103 227 N HA 0.180 4.941 4.740 0.036 0.000 0.305 227 N C -0.351 175.234 175.510 0.125 0.000 1.232 227 N CA 0.108 53.233 53.050 0.124 0.000 1.190 227 N CB 0.334 38.902 38.487 0.135 0.000 1.461 227 N HN 0.144 nan 8.380 nan 0.000 0.538 228 V N -2.313 117.666 119.914 0.108 0.000 3.156 228 V HA 0.526 4.667 4.120 0.036 0.000 0.311 228 V C 0.005 176.156 176.094 0.096 0.000 1.208 228 V CA -1.160 61.192 62.300 0.087 0.000 1.063 228 V CB 2.235 34.091 31.823 0.056 0.000 1.098 228 V HN 0.117 nan 8.190 nan 0.000 0.452 229 E N 0.343 120.588 120.200 0.074 0.000 2.277 229 E HA 0.477 4.849 4.350 0.036 0.000 0.274 229 E C -1.286 175.358 176.600 0.073 0.000 1.022 229 E CA -0.903 55.541 56.400 0.074 0.000 0.853 229 E CB 1.789 31.520 29.700 0.051 0.000 1.086 229 E HN 0.735 nan 8.360 nan 0.000 0.397 230 L N 4.183 125.464 121.223 0.097 0.000 2.313 230 L HA 0.176 4.537 4.340 0.036 0.000 0.282 230 L C -0.325 176.589 176.870 0.074 0.000 1.092 230 L CA 0.144 55.050 54.840 0.109 0.000 0.831 230 L CB 0.746 42.919 42.059 0.190 0.000 1.159 230 L HN 0.463 nan 8.230 nan 0.000 0.442 231 E N 4.016 124.251 120.200 0.057 0.000 2.331 231 E HA 0.107 4.478 4.350 0.036 0.000 0.272 231 E C -0.653 175.973 176.600 0.045 0.000 1.036 231 E CA -0.240 56.184 56.400 0.040 0.000 0.864 231 E CB 1.192 30.910 29.700 0.029 0.000 1.035 231 E HN 0.626 nan 8.360 nan 0.000 0.408 232 E N 2.092 122.310 120.200 0.030 0.000 2.343 232 E HA 0.130 4.501 4.350 0.036 0.000 0.269 232 E C -0.730 175.889 176.600 0.033 0.000 1.047 232 E CA -0.366 56.049 56.400 0.026 0.000 0.874 232 E CB 0.740 30.444 29.700 0.006 0.000 1.033 232 E HN 0.203 nan 8.360 nan 0.000 0.409 233 K N 1.528 121.955 120.400 0.044 0.000 2.156 233 K HA 0.283 4.625 4.320 0.036 0.000 0.250 233 K C -0.423 176.221 176.600 0.073 0.000 0.955 233 K CA -0.773 55.559 56.287 0.074 0.000 0.855 233 K CB 1.682 34.251 32.500 0.115 0.000 1.101 233 K HN 0.572 nan 8.250 nan 0.000 0.434 234 T N -1.890 112.724 114.554 0.099 0.000 2.875 234 T HA 0.133 4.505 4.350 0.036 0.000 0.284 234 T C 0.324 175.144 174.700 0.199 0.000 0.995 234 T CA -0.840 61.315 62.100 0.092 0.000 1.060 234 T CB 1.528 70.416 68.868 0.034 0.000 0.967 234 T HN 0.419 nan 8.240 nan 0.000 0.476 235 S N 3.232 118.999 115.700 0.111 0.000 2.546 235 S HA 0.203 4.694 4.470 0.036 0.000 0.290 235 S C -0.153 174.553 174.600 0.177 0.000 1.262 235 S CA -0.231 58.025 58.200 0.093 0.000 1.083 235 S CB -1.072 62.149 63.200 0.035 0.000 0.859 235 S HN 1.147 nan 8.310 nan 0.000 0.495 236 H N 1.758 120.832 119.070 0.007 0.000 2.950 236 H HA 0.463 5.040 4.556 0.036 0.000 0.307 236 H C -1.579 173.761 175.328 0.021 0.000 1.403 236 H CA -0.965 55.091 56.048 0.014 0.000 1.145 236 H CB 0.793 30.565 29.762 0.017 0.000 1.844 236 H HN 0.606 nan 8.280 nan 0.000 0.515 237 E N 1.597 121.785 120.200 -0.020 0.000 2.187 237 E HA 0.480 4.851 4.350 0.036 0.000 0.268 237 E C -0.637 175.997 176.600 0.058 0.000 0.896 237 E CA -0.843 55.517 56.400 -0.068 0.000 0.766 237 E CB 1.636 31.335 29.700 -0.002 0.000 1.142 237 E HN 0.468 nan 8.360 nan 0.000 0.408 238 I N 4.109 124.689 120.570 0.015 0.000 2.395 238 I HA 0.135 4.327 4.170 0.036 0.000 0.289 238 I C 0.099 176.290 176.117 0.125 0.000 1.023 238 I CA -0.412 60.963 61.300 0.125 0.000 1.350 238 I CB 0.652 38.719 38.000 0.113 0.000 1.409 238 I HN 0.467 nan 8.210 nan 0.000 0.507 239 H N 6.981 126.083 119.070 0.053 0.000 2.489 239 H HA 0.671 5.249 4.556 0.036 0.000 0.343 239 H C -1.480 173.849 175.328 0.001 0.000 1.086 239 H CA -0.594 55.465 56.048 0.018 0.000 1.198 239 H CB 1.727 31.503 29.762 0.023 0.000 1.490 239 H HN 0.418 nan 8.280 nan 0.000 0.504 240 V N 2.072 121.736 119.914 -0.417 0.000 3.007 240 V HA 0.631 4.772 4.120 0.036 0.000 0.311 240 V C -0.724 175.116 176.094 -0.424 0.000 1.120 240 V CA -0.997 61.110 62.300 -0.322 0.000 0.980 240 V CB 2.227 33.771 31.823 -0.465 0.000 1.033 240 V HN 0.863 nan 8.190 nan 0.000 0.429 241 E N 1.679 121.799 120.200 -0.132 0.000 2.356 241 E HA 0.524 4.896 4.350 0.036 0.000 0.275 241 E C -1.188 175.543 176.600 0.219 0.000 0.904 241 E CA -0.804 55.609 56.400 0.022 0.000 0.757 241 E CB 2.469 32.219 29.700 0.083 0.000 1.232 241 E HN 0.977 nan 8.360 nan 0.000 0.442 242 Q N 3.143 123.091 119.800 0.247 0.000 2.274 242 Q HA 0.339 4.700 4.340 0.036 0.000 0.256 242 Q C -1.169 174.900 176.000 0.115 0.000 0.927 242 Q CA -0.486 55.448 55.803 0.217 0.000 0.939 242 Q CB 1.109 29.924 28.738 0.128 0.000 1.201 242 Q HN 0.331 nan 8.270 nan 0.000 0.426 243 K N 3.452 123.911 120.400 0.099 0.000 2.613 243 K HA 0.411 4.753 4.320 0.036 0.000 0.248 243 K C -1.146 175.482 176.600 0.046 0.000 0.959 243 K CA -0.628 55.700 56.287 0.069 0.000 0.855 243 K CB 1.107 33.657 32.500 0.083 0.000 1.143 243 K HN 0.564 nan 8.250 nan 0.000 0.437 244 L N 3.345 124.578 121.223 0.017 0.000 2.417 244 L HA 0.319 4.680 4.340 0.036 0.000 0.268 244 L C -1.861 175.065 176.870 0.094 0.000 1.158 244 L CA -2.069 52.775 54.840 0.006 0.000 0.819 244 L CB 0.329 42.374 42.059 -0.024 0.000 1.112 244 L HN 0.461 nan 8.230 nan 0.000 0.458 245 P HA 0.032 nan 4.420 nan 0.000 0.268 245 P C -0.869 176.563 177.300 0.221 0.000 1.205 245 P CA -0.364 62.854 63.100 0.195 0.000 0.771 245 P CB 0.466 32.306 31.700 0.235 0.000 0.858 246 Q N 2.754 122.641 119.800 0.144 0.000 2.293 246 Q HA 0.082 4.443 4.340 0.036 0.000 0.263 246 Q C -0.405 175.656 176.000 0.102 0.000 1.002 246 Q CA 0.324 56.188 55.803 0.102 0.000 0.910 246 Q CB 0.292 29.072 28.738 0.071 0.000 1.185 246 Q HN 0.185 nan 8.270 nan 0.000 0.401 247 K N 3.707 124.135 120.400 0.046 0.000 2.383 247 K HA 0.113 4.455 4.320 0.036 0.000 0.286 247 K C -0.589 176.023 176.600 0.019 0.000 1.051 247 K CA -0.438 55.848 56.287 -0.000 0.000 0.974 247 K CB 0.393 32.824 32.500 -0.115 0.000 0.968 247 K HN 0.540 nan 8.250 nan 0.000 0.475 248 L N 3.109 124.357 121.223 0.042 0.000 2.305 248 L HA 0.162 4.524 4.340 0.036 0.000 0.281 248 L C -0.267 176.623 176.870 0.034 0.000 1.085 248 L CA 0.224 55.090 54.840 0.042 0.000 0.813 248 L CB 1.243 43.336 42.059 0.057 0.000 1.157 248 L HN 0.583 nan 8.230 nan 0.000 0.436 249 S N 4.337 120.054 115.700 0.029 0.000 2.442 249 S HA 0.862 5.354 4.470 0.036 0.000 0.297 249 S C -0.030 174.593 174.600 0.039 0.000 1.131 249 S CA -0.445 57.773 58.200 0.029 0.000 1.092 249 S CB 1.250 64.461 63.200 0.019 0.000 0.998 249 S HN 1.067 nan 8.310 nan 0.000 0.478 250 A N 3.917 126.768 122.820 0.051 0.000 2.388 250 A HA 0.473 4.815 4.320 0.036 0.000 0.257 250 A C 0.731 178.347 177.584 0.054 0.000 1.095 250 A CA -0.901 51.173 52.037 0.061 0.000 0.791 250 A CB 0.068 19.123 19.000 0.092 0.000 1.029 250 A HN 0.981 nan 8.150 nan 0.000 0.489 251 K N 1.453 121.882 120.400 0.048 0.000 2.159 251 K HA 0.461 4.802 4.320 0.036 0.000 0.242 251 K C 0.326 176.955 176.600 0.049 0.000 1.043 251 K CA 0.083 56.394 56.287 0.040 0.000 0.856 251 K CB 0.178 32.696 32.500 0.031 0.000 1.072 251 K HN 0.650 nan 8.250 nan 0.000 0.514 252 A N 0.855 123.699 122.820 0.040 0.000 2.322 252 A HA 0.302 4.644 4.320 0.036 0.000 0.269 252 A C -0.516 177.097 177.584 0.048 0.000 1.094 252 A CA -0.539 51.524 52.037 0.043 0.000 0.807 252 A CB 0.209 19.227 19.000 0.031 0.000 1.047 252 A HN 0.789 nan 8.150 nan 0.000 0.487 253 K N 1.435 121.869 120.400 0.057 0.000 2.550 253 K HA 0.375 4.716 4.320 0.036 0.000 0.252 253 K C -1.453 175.180 176.600 0.054 0.000 0.943 253 K CA -0.497 55.826 56.287 0.059 0.000 0.806 253 K CB 1.718 34.274 32.500 0.093 0.000 1.289 253 K HN 0.576 nan 8.250 nan 0.000 0.435 254 E N 4.164 124.386 120.200 0.036 0.000 2.069 254 E HA 0.211 4.582 4.350 0.036 0.000 0.254 254 E C -0.511 176.102 176.600 0.022 0.000 1.088 254 E CA -0.306 56.111 56.400 0.028 0.000 1.017 254 E CB 0.428 30.138 29.700 0.018 0.000 1.226 254 E HN 0.370 nan 8.360 nan 0.000 0.458 255 L N 2.930 124.176 121.223 0.039 0.000 2.344 255 L HA 0.481 4.843 4.340 0.036 0.000 0.272 255 L C -1.775 175.104 176.870 0.015 0.000 1.035 255 L CA -2.111 52.739 54.840 0.018 0.000 0.807 255 L CB 0.716 42.819 42.059 0.073 0.000 1.237 255 L HN 0.194 nan 8.230 nan 0.000 0.442 256 P HA 0.306 nan 4.420 nan 0.000 0.278 256 P C -0.956 176.400 177.300 0.093 0.000 1.238 256 P CA -0.210 62.900 63.100 0.017 0.000 0.794 256 P CB 1.256 32.945 31.700 -0.018 0.000 0.955 257 I N 2.255 122.897 120.570 0.121 0.000 2.354 257 I HA 0.209 4.400 4.170 0.036 0.000 0.292 257 I C 0.743 176.965 176.117 0.175 0.000 0.989 257 I CA -1.024 60.367 61.300 0.151 0.000 1.188 257 I CB 1.687 39.754 38.000 0.110 0.000 1.342 257 I HN 0.163 nan 8.210 nan 0.000 0.457 258 V N 2.264 122.304 119.914 0.209 0.000 2.837 258 V HA 0.420 4.562 4.120 0.036 0.000 0.310 258 V C 0.530 176.717 176.094 0.156 0.000 1.059 258 V CA -0.432 61.974 62.300 0.176 0.000 1.004 258 V CB 1.538 33.457 31.823 0.161 0.000 1.045 258 V HN 0.806 nan 8.190 nan 0.000 0.465 259 D N 1.252 121.730 120.400 0.129 0.000 2.149 259 D HA 0.015 4.677 4.640 0.036 0.000 0.206 259 D C 0.645 177.036 176.300 0.152 0.000 0.967 259 D CA 0.928 55.005 54.000 0.128 0.000 0.848 259 D CB 0.246 41.105 40.800 0.098 0.000 0.998 259 D HN 0.677 nan 8.370 nan 0.000 0.474 260 K N -0.034 120.446 120.400 0.132 0.000 2.267 260 K HA 0.604 4.946 4.320 0.036 0.000 0.246 260 K C -1.195 175.494 176.600 0.149 0.000 0.954 260 K CA -0.931 55.438 56.287 0.137 0.000 0.824 260 K CB 2.375 34.929 32.500 0.090 0.000 1.167 260 K HN 0.019 nan 8.250 nan 0.000 0.431 261 A N 3.771 126.693 122.820 0.170 0.000 2.454 261 A HA 0.226 4.567 4.320 0.036 0.000 0.260 261 A C -1.681 176.005 177.584 0.171 0.000 1.106 261 A CA -1.116 51.038 52.037 0.195 0.000 0.780 261 A CB 0.008 19.133 19.000 0.208 0.000 1.044 261 A HN 0.717 nan 8.150 nan 0.000 0.498 262 P HA -0.063 nan 4.420 nan 0.000 0.220 262 P C -0.196 177.177 177.300 0.120 0.000 1.152 262 P CA 0.970 64.150 63.100 0.133 0.000 0.812 262 P CB 0.069 31.843 31.700 0.124 0.000 0.792 263 Y N 0.909 121.290 120.300 0.135 0.000 2.316 263 Y HA 0.338 4.909 4.550 0.036 0.000 0.331 263 Y C 1.521 177.507 175.900 0.142 0.000 1.083 263 Y CA 0.117 58.312 58.100 0.160 0.000 1.206 263 Y CB 0.812 39.425 38.460 0.256 0.000 1.195 263 Y HN -0.183 nan 8.280 nan 0.000 0.497 264 R N 2.782 123.421 120.500 0.232 0.000 2.905 264 R HA 0.695 5.057 4.340 0.036 0.000 0.260 264 R C -1.542 174.923 176.300 0.276 0.000 1.086 264 R CA -1.072 55.148 56.100 0.200 0.000 0.978 264 R CB 2.304 32.634 30.300 0.050 0.000 1.215 264 R HN 0.623 nan 8.270 nan 0.000 0.480 265 F N -2.409 117.566 119.950 0.041 0.000 2.685 265 F HA 0.532 5.080 4.527 0.036 0.000 0.315 265 F C 0.329 176.119 175.800 -0.018 0.000 1.126 265 F CA -0.538 57.482 58.000 0.033 0.000 0.950 265 F CB 1.747 40.780 39.000 0.055 0.000 1.360 265 F HN 0.576 nan 8.300 nan 0.000 0.469 266 T N -2.824 111.627 114.554 -0.170 0.000 3.115 266 T HA 0.353 4.724 4.350 0.036 0.000 0.256 266 T C -0.235 174.269 174.700 -0.327 0.000 0.970 266 T CA 0.349 62.188 62.100 -0.436 0.000 1.010 266 T CB -0.696 67.911 68.868 -0.435 0.000 1.151 266 T HN 0.731 nan 8.240 nan 0.000 0.479 267 H N 0.298 119.489 119.070 0.201 0.000 2.479 267 H HA 0.752 5.329 4.556 0.036 0.000 0.335 267 H C 0.291 175.809 175.328 0.316 0.000 1.142 267 H CA 0.048 56.217 56.048 0.202 0.000 1.234 267 H CB 1.836 31.666 29.762 0.113 0.000 1.503 267 H HN 0.707 nan 8.280 nan 0.000 0.510 268 G N 0.946 109.948 108.800 0.336 0.000 2.519 268 G HA2 0.166 4.148 3.960 0.036 0.000 0.292 268 G HA3 0.166 4.148 3.960 0.036 0.000 0.292 268 G C -2.015 172.929 174.900 0.073 0.000 1.507 268 G CA -1.145 44.046 45.100 0.150 0.000 0.806 268 G HN 0.566 nan 8.290 nan 0.000 0.523 269 W N 1.712 122.863 121.300 -0.249 0.000 2.202 269 W HA 0.608 5.289 4.660 0.036 0.000 0.332 269 W C 0.616 177.010 176.519 -0.209 0.000 1.263 269 W CA 0.895 58.143 57.345 -0.162 0.000 1.223 269 W CB 1.338 30.702 29.460 -0.160 0.000 1.128 269 W HN 0.853 nan 8.180 nan 0.000 0.573 270 T N 2.959 116.864 114.554 -1.082 0.000 2.894 270 T HA 0.289 4.661 4.350 0.036 0.000 0.309 270 T C -1.598 172.390 174.700 -1.187 0.000 1.208 270 T CA -0.836 60.722 62.100 -0.903 0.000 1.016 270 T CB 1.369 70.048 68.868 -0.316 0.000 1.192 270 T HN 0.420 nan 8.240 nan 0.000 0.491 271 Y N 2.603 122.485 120.300 -0.696 0.000 2.341 271 Y HA 0.454 5.026 4.550 0.036 0.000 0.340 271 Y C 1.661 177.382 175.900 -0.299 0.000 0.997 271 Y CA -1.227 56.570 58.100 -0.506 0.000 1.149 271 Y CB 1.268 39.643 38.460 -0.141 0.000 1.171 271 Y HN 0.957 nan 8.280 nan 0.000 0.494 272 S N 4.729 120.259 115.700 -0.284 0.000 2.407 272 S HA -0.268 4.223 4.470 0.036 0.000 0.235 272 S C 1.761 176.043 174.600 -0.529 0.000 1.036 272 S CA 1.567 59.546 58.200 -0.369 0.000 1.013 272 S CB -0.488 62.548 63.200 -0.274 0.000 0.820 272 S HN 0.715 nan 8.310 nan 0.000 0.476 273 L N 2.272 122.839 121.223 -1.093 0.000 2.093 273 L HA 0.069 4.430 4.340 0.036 0.000 0.208 273 L C 1.813 178.481 176.870 -0.337 0.000 1.085 273 L CA 1.735 56.059 54.840 -0.861 0.000 0.755 273 L CB -0.983 40.351 42.059 -1.208 0.000 0.904 273 L HN 0.152 nan 8.230 nan 0.000 0.435 274 N N -0.037 118.497 118.700 -0.277 0.000 2.188 274 N HA -0.153 4.609 4.740 0.036 0.000 0.184 274 N C 1.450 177.044 175.510 0.140 0.000 1.018 274 N CA 1.385 54.491 53.050 0.093 0.000 0.858 274 N CB -0.357 38.221 38.487 0.152 0.000 0.989 274 N HN 0.388 nan 8.380 nan 0.000 0.426 275 D N -0.430 119.990 120.400 0.034 0.000 2.144 275 D HA -0.158 4.503 4.640 0.036 0.000 0.200 275 D C 1.746 178.142 176.300 0.160 0.000 0.978 275 D CA 0.633 54.698 54.000 0.108 0.000 0.833 275 D CB -0.414 40.312 40.800 -0.123 0.000 0.961 275 D HN 0.317 nan 8.370 nan 0.000 0.470 276 Y N 0.570 120.776 120.300 -0.157 0.000 2.151 276 Y HA -0.254 4.317 4.550 0.035 0.000 0.284 276 Y C 1.958 177.702 175.900 -0.259 0.000 1.166 276 Y CA 1.549 59.487 58.100 -0.271 0.000 1.163 276 Y CB -0.619 37.510 38.460 -0.553 0.000 0.974 276 Y HN -0.103 nan 8.280 nan 0.000 0.511 277 F N -0.761 119.170 119.950 -0.032 0.000 2.456 277 F HA -0.105 4.443 4.527 0.035 0.000 0.298 277 F C 2.116 177.952 175.800 0.060 0.000 1.104 277 F CA 0.437 58.383 58.000 -0.090 0.000 1.435 277 F CB -0.225 38.691 39.000 -0.141 0.000 1.078 277 F HN 0.036 nan 8.300 nan 0.000 0.546 278 L N -0.143 121.216 121.223 0.228 0.000 2.012 278 L HA -0.239 4.123 4.340 0.036 0.000 0.210 278 L C 2.552 179.417 176.870 -0.009 0.000 1.073 278 L CA 2.005 56.926 54.840 0.136 0.000 0.748 278 L CB -1.034 41.132 42.059 0.179 0.000 0.891 278 L HN 0.248 nan 8.230 nan 0.000 0.431 279 T N -3.869 110.678 114.554 -0.013 0.000 3.148 279 T HA -0.050 4.321 4.350 0.036 0.000 0.253 279 T C 1.598 176.332 174.700 0.056 0.000 1.134 279 T CA 0.252 62.334 62.100 -0.031 0.000 1.051 279 T CB -0.124 68.700 68.868 -0.074 0.000 0.959 279 T HN 0.201 nan 8.240 nan 0.000 0.525 280 R N 0.360 120.877 120.500 0.028 0.000 2.507 280 R HA 0.423 4.785 4.340 0.036 0.000 0.298 280 R C 1.223 177.593 176.300 0.116 0.000 0.999 280 R CA 0.296 56.494 56.100 0.163 0.000 1.082 280 R CB 0.256 30.628 30.300 0.121 0.000 1.246 280 R HN 0.500 nan 8.270 nan 0.000 0.553 281 G N 0.454 108.843 108.800 -0.685 0.000 2.142 281 G HA2 -0.250 3.732 3.960 0.036 0.000 0.225 281 G HA3 -0.250 3.732 3.960 0.036 0.000 0.225 281 G C -0.411 174.149 174.900 -0.566 0.000 1.015 281 G CA -0.459 43.798 45.100 -1.405 0.000 0.716 281 G HN 0.185 nan 8.290 nan 0.000 0.508 282 F N 0.812 120.656 119.950 -0.177 0.000 2.499 282 F HA 0.744 5.292 4.527 0.035 0.000 0.333 282 F C 0.585 176.389 175.800 0.006 0.000 1.138 282 F CA -0.626 57.379 58.000 0.008 0.000 0.945 282 F CB 1.770 40.839 39.000 0.115 0.000 1.181 282 F HN 0.355 nan 8.300 nan 0.000 0.435 283 A N 1.984 124.895 122.820 0.152 0.000 2.386 283 A HA 0.660 5.001 4.320 0.036 0.000 0.248 283 A C 0.025 177.707 177.584 0.163 0.000 1.082 283 A CA -0.205 51.898 52.037 0.110 0.000 0.789 283 A CB 0.316 19.370 19.000 0.089 0.000 1.025 283 A HN 0.648 nan 8.150 nan 0.000 0.490 284 S N 0.044 115.819 115.700 0.126 0.000 2.503 284 S HA 0.688 5.179 4.470 0.036 0.000 0.301 284 S C -0.634 173.992 174.600 0.043 0.000 1.087 284 S CA -0.248 57.991 58.200 0.064 0.000 1.042 284 S CB 0.789 64.064 63.200 0.124 0.000 1.043 284 S HN 0.503 nan 8.310 nan 0.000 0.489 285 I N 2.910 123.412 120.570 -0.114 0.000 2.534 285 I HA 0.363 4.555 4.170 0.036 0.000 0.288 285 I C -1.633 174.315 176.117 -0.282 0.000 1.077 285 I CA -0.621 60.658 61.300 -0.036 0.000 1.051 285 I CB 1.649 39.711 38.000 0.104 0.000 1.234 285 I HN 0.582 nan 8.210 nan 0.000 0.425 286 Y N 5.257 125.524 120.300 -0.056 0.000 2.352 286 Y HA 0.634 5.205 4.550 0.036 0.000 0.339 286 Y C -0.157 175.583 175.900 -0.267 0.000 0.992 286 Y CA -0.870 57.087 58.100 -0.239 0.000 1.100 286 Y CB 1.968 40.066 38.460 -0.602 0.000 1.192 286 Y HN 0.137 nan 8.280 nan 0.000 0.458 287 V N 1.139 120.995 119.914 -0.095 0.000 2.735 287 V HA 0.674 4.816 4.120 0.036 0.000 0.310 287 V C 0.237 176.279 176.094 -0.087 0.000 1.061 287 V CA -0.763 61.483 62.300 -0.089 0.000 0.913 287 V CB 1.531 33.320 31.823 -0.056 0.000 1.005 287 V HN 0.910 nan 8.190 nan 0.000 0.428 288 A N 2.138 124.911 122.820 -0.077 0.000 2.140 288 A HA 0.722 5.064 4.320 0.036 0.000 0.209 288 A C 1.271 178.786 177.584 -0.114 0.000 1.181 288 A CA 0.720 52.704 52.037 -0.088 0.000 0.824 288 A CB -0.306 18.665 19.000 -0.048 0.000 0.879 288 A HN 2.335 nan 8.150 nan 0.000 0.480 289 G N -0.844 107.911 108.800 -0.074 0.000 2.760 289 G HA2 0.080 4.062 3.960 0.036 0.000 0.246 289 G HA3 0.080 4.062 3.960 0.036 0.000 0.246 289 G C 0.094 174.979 174.900 -0.025 0.000 1.359 289 G CA -0.137 44.934 45.100 -0.048 0.000 0.861 289 G HN 1.677 nan 8.290 nan 0.000 0.541 290 V N -1.190 118.728 119.914 0.007 0.000 2.901 290 V HA 0.483 4.624 4.120 0.036 0.000 0.307 290 V C 1.984 178.090 176.094 0.020 0.000 1.084 290 V CA 1.095 63.420 62.300 0.041 0.000 1.184 290 V CB 0.546 32.416 31.823 0.078 0.000 0.941 290 V HN 3.010 nan 8.190 nan 0.000 0.493 291 G N 2.198 111.034 108.800 0.061 0.000 2.155 291 G HA2 -0.194 3.788 3.960 0.036 0.000 0.257 291 G HA3 -0.194 3.788 3.960 0.036 0.000 0.257 291 G C 0.286 175.102 174.900 -0.141 0.000 0.983 291 G CA 0.770 45.910 45.100 0.066 0.000 0.676 291 G HN 1.966 nan 8.290 nan 0.000 0.528 292 T N -3.085 111.397 114.554 -0.121 0.000 2.950 292 T HA 0.684 5.055 4.350 0.036 0.000 0.288 292 T C 0.351 174.970 174.700 -0.136 0.000 1.035 292 T CA -0.380 61.624 62.100 -0.161 0.000 1.028 292 T CB 1.865 70.666 68.868 -0.112 0.000 1.109 292 T HN 0.498 nan 8.240 nan 0.000 0.514 293 R N 0.992 121.414 120.500 -0.130 0.000 2.486 293 R HA 0.073 4.435 4.340 0.036 0.000 0.304 293 R C 0.360 176.662 176.300 0.003 0.000 0.913 293 R CA 1.330 57.384 56.100 -0.077 0.000 1.124 293 R CB -0.711 29.555 30.300 -0.057 0.000 0.891 293 R HN 0.927 nan 8.270 nan 0.000 0.410 294 S N 0.748 116.477 115.700 0.049 0.000 3.084 294 S HA -0.173 4.319 4.470 0.036 0.000 0.277 294 S C -0.410 174.359 174.600 0.281 0.000 1.295 294 S CA 1.400 59.709 58.200 0.181 0.000 1.170 294 S CB -0.738 62.617 63.200 0.258 0.000 1.412 294 S HN 0.726 nan 8.310 nan 0.000 0.669 295 S N 0.977 116.764 115.700 0.145 0.000 2.648 295 S HA 0.596 5.087 4.470 0.036 0.000 0.305 295 S C -0.176 174.483 174.600 0.098 0.000 1.094 295 S CA -0.951 57.348 58.200 0.164 0.000 0.983 295 S CB 1.214 64.471 63.200 0.094 0.000 1.101 295 S HN 0.285 nan 8.310 nan 0.000 0.514 296 D N 0.274 120.740 120.400 0.109 0.000 2.451 296 D HA 0.620 5.281 4.640 0.036 0.000 0.259 296 D C 0.769 177.144 176.300 0.124 0.000 1.201 296 D CA 0.422 54.481 54.000 0.098 0.000 1.028 296 D CB 0.589 41.441 40.800 0.087 0.000 1.095 296 D HN 0.820 nan 8.370 nan 0.000 0.539 297 G N -0.742 108.153 108.800 0.158 0.000 2.796 297 G HA2 -0.172 3.810 3.960 0.036 0.000 0.571 297 G HA3 -0.172 3.810 3.960 0.036 0.000 0.571 297 G C -0.872 174.235 174.900 0.344 0.000 1.370 297 G CA -0.532 44.697 45.100 0.215 0.000 0.856 297 G HN 0.341 nan 8.290 nan 0.000 0.538 298 F N 0.009 120.073 119.950 0.189 0.000 2.408 298 F HA 0.712 5.261 4.527 0.036 0.000 0.325 298 F C 0.675 176.612 175.800 0.227 0.000 1.082 298 F CA -0.866 57.272 58.000 0.231 0.000 1.032 298 F CB 1.881 40.939 39.000 0.096 0.000 1.259 298 F HN 0.550 nan 8.300 nan 0.000 0.503 299 Q N 1.903 121.242 119.800 -0.768 0.000 2.844 299 Q HA 0.147 4.508 4.340 0.036 0.000 0.235 299 Q C 0.798 176.492 176.000 -0.511 0.000 1.336 299 Q CA 0.290 55.813 55.803 -0.465 0.000 1.026 299 Q CB -0.314 28.255 28.738 -0.282 0.000 1.513 299 Q HN 0.751 nan 8.270 nan 0.000 0.577 300 T N -1.697 112.787 114.554 -0.118 0.000 3.077 300 T HA -0.078 4.293 4.350 0.036 0.000 0.269 300 T C 0.333 174.987 174.700 -0.078 0.000 1.146 300 T CA 0.469 62.599 62.100 0.049 0.000 1.091 300 T CB -0.477 68.451 68.868 0.098 0.000 0.892 300 T HN 0.534 nan 8.240 nan 0.000 0.533 301 S N 0.997 116.625 115.700 -0.120 0.000 3.755 301 S HA 0.058 4.549 4.470 0.036 0.000 0.308 301 S C 1.488 175.812 174.600 -0.461 0.000 0.816 301 S CA 0.588 58.676 58.200 -0.187 0.000 1.342 301 S CB -1.724 61.349 63.200 -0.212 0.000 1.606 301 S HN 1.728 nan 8.310 nan 0.000 0.476 302 G N 2.021 110.622 108.800 -0.332 0.000 2.308 302 G HA2 -0.298 3.684 3.960 0.036 0.000 0.221 302 G HA3 -0.298 3.684 3.960 0.036 0.000 0.221 302 G C -0.047 174.775 174.900 -0.130 0.000 1.032 302 G CA 0.360 45.217 45.100 -0.405 0.000 0.623 302 G HN 1.093 nan 8.290 nan 0.000 0.506 303 D N 0.199 120.479 120.400 -0.199 0.000 2.372 303 D HA 0.240 4.902 4.640 0.036 0.000 0.243 303 D C 1.096 177.301 176.300 -0.158 0.000 1.297 303 D CA -0.208 53.718 54.000 -0.124 0.000 0.958 303 D CB 0.058 40.788 40.800 -0.117 0.000 1.114 303 D HN 0.244 nan 8.370 nan 0.000 0.496 304 Y N -0.683 119.545 120.300 -0.119 0.000 2.571 304 Y HA -0.070 4.502 4.550 0.036 0.000 0.294 304 Y C 2.547 178.132 175.900 -0.524 0.000 1.141 304 Y CA 0.766 58.636 58.100 -0.384 0.000 1.308 304 Y CB -0.115 38.034 38.460 -0.519 0.000 1.002 304 Y HN 0.367 nan 8.280 nan 0.000 0.551 305 Q N -0.182 119.555 119.800 -0.105 0.000 2.079 305 Q HA -0.262 4.100 4.340 0.036 0.000 0.200 305 Q C 2.180 178.189 176.000 0.017 0.000 0.974 305 Q CA 1.562 57.375 55.803 0.017 0.000 0.840 305 Q CB -0.198 28.589 28.738 0.082 0.000 0.898 305 Q HN 0.567 nan 8.270 nan 0.000 0.430 306 Q N 0.472 120.255 119.800 -0.029 0.000 2.079 306 Q HA -0.174 4.188 4.340 0.036 0.000 0.200 306 Q C 2.050 178.033 176.000 -0.029 0.000 0.974 306 Q CA 0.945 56.740 55.803 -0.014 0.000 0.840 306 Q CB 0.135 28.861 28.738 -0.021 0.000 0.898 306 Q HN 0.305 nan 8.270 nan 0.000 0.430 307 I N 0.517 121.010 120.570 -0.129 0.000 2.208 307 I HA -0.275 3.917 4.170 0.036 0.000 0.245 307 I C 2.039 178.192 176.117 0.061 0.000 1.097 307 I CA 1.480 62.702 61.300 -0.132 0.000 1.363 307 I CB -1.497 36.294 38.000 -0.348 0.000 1.051 307 I HN 0.294 nan 8.210 nan 0.000 0.413 308 Y N 1.464 121.816 120.300 0.087 0.000 2.352 308 Y HA -0.133 4.438 4.550 0.036 0.000 0.292 308 Y C 2.961 178.901 175.900 0.066 0.000 1.136 308 Y CA 0.814 58.968 58.100 0.091 0.000 1.227 308 Y CB -1.333 37.193 38.460 0.110 0.000 0.991 308 Y HN 0.321 nan 8.280 nan 0.000 0.545 309 S N -1.116 114.700 115.700 0.193 0.000 2.423 309 S HA -0.130 4.361 4.470 0.036 0.000 0.231 309 S C 1.805 176.457 174.600 0.088 0.000 1.014 309 S CA 0.942 59.217 58.200 0.125 0.000 0.965 309 S CB -0.256 62.995 63.200 0.085 0.000 0.785 309 S HN 0.210 nan 8.310 nan 0.000 0.495 310 M N 2.339 121.987 119.600 0.079 0.000 2.299 310 M HA 0.046 4.547 4.480 0.036 0.000 0.264 310 M C 2.621 178.969 176.300 0.079 0.000 1.095 310 M CA 1.912 57.244 55.300 0.052 0.000 1.165 310 M CB -2.256 30.359 32.600 0.024 0.000 1.349 310 M HN 0.649 nan 8.290 nan 0.000 0.446 311 T N -0.570 114.055 114.554 0.118 0.000 2.977 311 T HA 0.049 4.420 4.350 0.036 0.000 0.271 311 T C 1.852 176.620 174.700 0.112 0.000 1.105 311 T CA 1.149 63.323 62.100 0.124 0.000 1.116 311 T CB -0.555 68.420 68.868 0.178 0.000 0.878 311 T HN 0.302 nan 8.240 nan 0.000 0.509 312 A N 1.212 124.103 122.820 0.117 0.000 1.972 312 A HA 0.064 4.406 4.320 0.036 0.000 0.219 312 A C 2.563 180.227 177.584 0.133 0.000 1.169 312 A CA 1.440 53.540 52.037 0.106 0.000 0.635 312 A CB -1.019 18.040 19.000 0.098 0.000 0.810 312 A HN 0.448 nan 8.150 nan 0.000 0.446 313 V N 0.216 120.205 119.914 0.125 0.000 2.343 313 V HA -0.280 3.861 4.120 0.036 0.000 0.247 313 V C 2.373 178.590 176.094 0.205 0.000 1.051 313 V CA 2.077 64.486 62.300 0.181 0.000 1.036 313 V CB -0.688 31.209 31.823 0.123 0.000 0.654 313 V HN 0.598 nan 8.190 nan 0.000 0.451 314 I N -0.131 120.509 120.570 0.116 0.000 2.315 314 I HA -0.190 4.002 4.170 0.036 0.000 0.248 314 I C 2.269 178.410 176.117 0.040 0.000 1.117 314 I CA 1.338 62.675 61.300 0.062 0.000 1.404 314 I CB -0.483 37.542 38.000 0.042 0.000 1.071 314 I HN 0.314 nan 8.210 nan 0.000 0.419 315 D N 0.159 120.601 120.400 0.070 0.000 2.117 315 D HA -0.237 4.424 4.640 0.036 0.000 0.197 315 D C 1.729 178.063 176.300 0.056 0.000 0.987 315 D CA 1.209 55.237 54.000 0.046 0.000 0.829 315 D CB -0.298 40.535 40.800 0.055 0.000 0.961 315 D HN 0.454 nan 8.370 nan 0.000 0.460 316 W N 1.865 123.132 121.300 -0.055 0.000 2.358 316 W HA -0.107 4.575 4.660 0.036 0.000 0.303 316 W C 1.981 178.431 176.519 -0.115 0.000 1.208 316 W CA 0.987 58.288 57.345 -0.074 0.000 1.274 316 W CB -0.545 28.882 29.460 -0.056 0.000 1.138 316 W HN -0.101 nan 8.180 nan 0.000 0.515 317 L N 0.873 121.923 121.223 -0.288 0.000 2.265 317 L HA -0.181 4.180 4.340 0.036 0.000 0.215 317 L C 1.519 178.108 176.870 -0.468 0.000 1.117 317 L CA 1.054 55.550 54.840 -0.574 0.000 0.782 317 L CB -0.725 41.153 42.059 -0.302 0.000 0.914 317 L HN 0.055 nan 8.230 nan 0.000 0.441 318 N N -0.082 118.445 118.700 -0.288 0.000 2.238 318 N HA 0.086 4.847 4.740 0.036 0.000 0.222 318 N C 1.047 176.437 175.510 -0.200 0.000 1.133 318 N CA 0.792 53.711 53.050 -0.219 0.000 0.854 318 N CB 1.005 39.414 38.487 -0.130 0.000 1.041 318 N HN 0.323 nan 8.380 nan 0.000 0.510 319 G N 1.675 110.317 108.800 -0.262 0.000 2.198 319 G HA2 -0.316 3.665 3.960 0.036 0.000 0.260 319 G HA3 -0.316 3.665 3.960 0.036 0.000 0.260 319 G C 0.819 175.665 174.900 -0.090 0.000 1.025 319 G CA 0.078 45.064 45.100 -0.189 0.000 0.769 319 G HN 0.396 nan 8.290 nan 0.000 0.507 320 R N -0.594 119.873 120.500 -0.057 0.000 2.437 320 R HA 0.570 4.932 4.340 0.036 0.000 0.257 320 R C 0.837 177.150 176.300 0.022 0.000 0.927 320 R CA 0.745 56.834 56.100 -0.018 0.000 1.078 320 R CB 0.802 31.089 30.300 -0.022 0.000 1.161 320 R HN 0.701 nan 8.270 nan 0.000 0.529 321 A N 0.768 123.630 122.820 0.069 0.000 2.587 321 A HA 0.663 5.004 4.320 0.036 0.000 0.293 321 A C -1.298 176.396 177.584 0.184 0.000 1.087 321 A CA -0.787 51.319 52.037 0.114 0.000 0.692 321 A CB 1.585 20.671 19.000 0.142 0.000 1.291 321 A HN 0.064 nan 8.150 nan 0.000 0.407 322 R N -0.073 120.468 120.500 0.069 0.000 2.428 322 R HA 0.753 5.114 4.340 0.036 0.000 0.294 322 R C -0.268 175.872 176.300 -0.267 0.000 1.000 322 R CA 0.638 56.696 56.100 -0.069 0.000 0.960 322 R CB 1.456 31.636 30.300 -0.201 0.000 1.076 322 R HN 1.212 nan 8.270 nan 0.000 0.475 323 A N 2.998 125.578 122.820 -0.399 0.000 2.435 323 A HA 0.665 5.006 4.320 0.036 0.000 0.304 323 A C -1.633 175.646 177.584 -0.509 0.000 1.064 323 A CA -0.548 51.140 52.037 -0.583 0.000 0.727 323 A CB 0.884 19.229 19.000 -1.092 0.000 1.284 323 A HN 0.671 nan 8.150 nan 0.000 0.415 324 Y N -0.410 119.901 120.300 0.017 0.000 2.587 324 Y HA 0.445 5.016 4.550 0.036 0.000 0.337 324 Y C 1.864 177.857 175.900 0.156 0.000 1.065 324 Y CA 0.057 58.215 58.100 0.096 0.000 1.126 324 Y CB 2.023 40.523 38.460 0.068 0.000 1.279 324 Y HN 0.758 nan 8.280 nan 0.000 0.489 325 T N -3.109 111.656 114.554 0.352 0.000 3.023 325 T HA 0.107 4.478 4.350 0.036 0.000 0.266 325 T C 0.421 175.274 174.700 0.255 0.000 1.093 325 T CA 0.857 63.142 62.100 0.308 0.000 1.129 325 T CB -0.270 68.762 68.868 0.274 0.000 0.899 325 T HN 0.577 nan 8.240 nan 0.000 0.491 326 S N -0.518 115.234 115.700 0.087 0.000 2.643 326 S HA 0.498 4.990 4.470 0.036 0.000 0.270 326 S C 0.085 174.323 174.600 -0.603 0.000 1.166 326 S CA -1.267 56.666 58.200 -0.444 0.000 0.815 326 S CB 1.505 64.504 63.200 -0.336 0.000 1.139 326 S HN 0.135 nan 8.310 nan 0.000 0.472 327 R N 0.432 120.318 120.500 -1.024 0.000 2.307 327 R HA 0.161 4.522 4.340 0.036 0.000 0.199 327 R C 1.284 177.316 176.300 -0.446 0.000 1.000 327 R CA 0.493 56.124 56.100 -0.782 0.000 1.023 327 R CB -0.236 29.562 30.300 -0.836 0.000 0.908 327 R HN 0.549 nan 8.270 nan 0.000 0.473 328 K N 0.872 121.065 120.400 -0.346 0.000 2.432 328 K HA 0.002 4.344 4.320 0.036 0.000 0.196 328 K C 0.159 176.610 176.600 -0.248 0.000 1.038 328 K CA 0.268 56.421 56.287 -0.224 0.000 0.986 328 K CB 0.164 32.592 32.500 -0.120 0.000 0.782 328 K HN 0.018 nan 8.250 nan 0.000 0.485 329 K N 0.617 120.812 120.400 -0.341 0.000 3.150 329 K HA -0.172 4.169 4.320 0.036 0.000 0.267 329 K C 0.669 177.138 176.600 -0.218 0.000 1.028 329 K CA 0.877 56.835 56.287 -0.548 0.000 0.753 329 K CB -1.835 30.151 32.500 -0.858 0.000 1.288 329 K HN 0.457 nan 8.250 nan 0.000 0.473 330 T N -4.266 110.273 114.554 -0.025 0.000 3.040 330 T HA 0.033 4.404 4.350 0.036 0.000 0.252 330 T C 0.377 175.016 174.700 -0.102 0.000 1.064 330 T CA 0.298 62.390 62.100 -0.013 0.000 1.110 330 T CB 0.064 68.987 68.868 0.091 0.000 0.921 330 T HN 0.382 nan 8.240 nan 0.000 0.480 331 H N 0.287 119.447 119.070 0.150 0.000 2.717 331 H HA 0.690 5.268 4.556 0.036 0.000 0.366 331 H C -0.930 174.561 175.328 0.272 0.000 1.132 331 H CA -0.813 55.346 56.048 0.185 0.000 1.180 331 H CB 1.910 31.766 29.762 0.156 0.000 1.678 331 H HN 0.227 nan 8.280 nan 0.000 0.537 332 E N 2.586 122.969 120.200 0.305 0.000 2.222 332 E HA 0.562 4.934 4.350 0.036 0.000 0.272 332 E C -0.924 175.796 176.600 0.200 0.000 0.982 332 E CA -0.668 55.848 56.400 0.192 0.000 0.842 332 E CB 1.211 30.975 29.700 0.106 0.000 1.144 332 E HN 0.499 nan 8.360 nan 0.000 0.397 333 I N 2.001 122.683 120.570 0.187 0.000 2.647 333 I HA 0.429 4.620 4.170 0.036 0.000 0.295 333 I C -0.467 175.899 176.117 0.415 0.000 1.078 333 I CA -0.982 60.485 61.300 0.278 0.000 1.048 333 I CB 2.053 40.234 38.000 0.302 0.000 1.239 333 I HN 0.261 nan 8.210 nan 0.000 0.421 334 K N 2.610 123.215 120.400 0.341 0.000 2.221 334 K HA 0.706 5.048 4.320 0.036 0.000 0.243 334 K C -0.254 176.343 176.600 -0.005 0.000 0.968 334 K CA -0.891 55.514 56.287 0.197 0.000 0.846 334 K CB 2.232 34.747 32.500 0.026 0.000 1.141 334 K HN 0.734 nan 8.250 nan 0.000 0.434 335 A N 1.534 123.940 122.820 -0.689 0.000 3.074 335 A HA 0.032 4.374 4.320 0.036 0.000 0.251 335 A C 1.174 178.264 177.584 -0.823 0.000 1.695 335 A CA -0.140 51.196 52.037 -1.168 0.000 1.343 335 A CB -0.996 16.852 19.000 -1.920 0.000 1.078 335 A HN 0.744 nan 8.150 nan 0.000 0.644 336 S N 0.243 115.714 115.700 -0.381 0.000 2.469 336 S HA -0.147 4.345 4.470 0.036 0.000 0.238 336 S C 1.459 175.977 174.600 -0.136 0.000 0.998 336 S CA 0.898 58.982 58.200 -0.194 0.000 0.957 336 S CB -0.585 62.609 63.200 -0.010 0.000 0.764 336 S HN 0.977 nan 8.310 nan 0.000 0.514 337 W N 1.282 122.546 121.300 -0.062 0.000 3.197 337 W HA 0.666 5.347 4.660 0.035 0.000 0.274 337 W C 0.294 176.778 176.519 -0.058 0.000 1.297 337 W CA -0.371 56.953 57.345 -0.035 0.000 1.662 337 W CB -0.516 28.944 29.460 0.001 0.000 1.106 337 W HN 0.354 nan 8.180 nan 0.000 0.663 338 A N 2.870 125.268 122.820 -0.703 0.000 2.312 338 A HA 0.300 4.642 4.320 0.036 0.000 0.328 338 A C 0.963 178.342 177.584 -0.341 0.000 1.158 338 A CA -0.358 51.313 52.037 -0.611 0.000 0.821 338 A CB 0.663 18.963 19.000 -1.166 0.000 1.170 338 A HN 0.212 nan 8.150 nan 0.000 0.490 339 N N 0.931 119.512 118.700 -0.199 0.000 2.353 339 N HA 0.196 4.957 4.740 0.036 0.000 0.185 339 N C 1.002 176.410 175.510 -0.171 0.000 1.098 339 N CA 1.146 54.105 53.050 -0.151 0.000 0.872 339 N CB 0.333 38.766 38.487 -0.091 0.000 0.970 339 N HN 1.593 nan 8.380 nan 0.000 0.467 340 G N -0.383 108.286 108.800 -0.217 0.000 2.217 340 G HA2 -0.259 3.723 3.960 0.036 0.000 0.246 340 G HA3 -0.259 3.723 3.960 0.036 0.000 0.246 340 G C -0.264 174.561 174.900 -0.124 0.000 0.990 340 G CA 0.172 45.158 45.100 -0.190 0.000 0.627 340 G HN 0.355 nan 8.290 nan 0.000 0.522 341 K N 0.620 120.958 120.400 -0.102 0.000 2.205 341 K HA 0.707 5.049 4.320 0.036 0.000 0.279 341 K C 0.046 176.606 176.600 -0.066 0.000 1.027 341 K CA -0.325 55.916 56.287 -0.076 0.000 0.932 341 K CB 2.168 34.626 32.500 -0.070 0.000 1.032 341 K HN 0.272 nan 8.250 nan 0.000 0.466 342 V N 0.574 120.447 119.914 -0.067 0.000 3.007 342 V HA 0.736 4.878 4.120 0.036 0.000 0.311 342 V C -0.911 175.110 176.094 -0.122 0.000 1.120 342 V CA -1.139 61.119 62.300 -0.069 0.000 0.980 342 V CB 2.171 33.972 31.823 -0.036 0.000 1.033 342 V HN 0.857 nan 8.190 nan 0.000 0.429 343 A N 4.099 126.816 122.820 -0.171 0.000 2.422 343 A HA 0.926 5.267 4.320 0.036 0.000 0.302 343 A C -0.978 176.533 177.584 -0.121 0.000 1.041 343 A CA -0.592 51.287 52.037 -0.263 0.000 0.708 343 A CB 1.728 20.285 19.000 -0.738 0.000 1.257 343 A HN 0.762 nan 8.150 nan 0.000 0.414 344 M N 2.047 121.616 119.600 -0.051 0.000 2.404 344 M HA 0.548 5.050 4.480 0.036 0.000 0.338 344 M C 0.099 176.453 176.300 0.090 0.000 1.150 344 M CA -0.310 54.999 55.300 0.015 0.000 1.016 344 M CB 2.245 34.846 32.600 0.001 0.000 1.672 344 M HN 0.919 nan 8.290 nan 0.000 0.448 345 T N -0.623 114.019 114.554 0.147 0.000 2.865 345 T HA 0.979 5.350 4.350 0.036 0.000 0.294 345 T C -0.209 174.636 174.700 0.242 0.000 1.119 345 T CA -0.410 61.843 62.100 0.255 0.000 1.007 345 T CB 2.176 71.287 68.868 0.404 0.000 1.225 345 T HN 1.138 nan 8.240 nan 0.000 0.515 346 G N 0.622 109.564 108.800 0.238 0.000 2.406 346 G HA2 0.349 4.331 3.960 0.036 0.000 0.680 346 G HA3 0.349 4.331 3.960 0.036 0.000 0.680 346 G C -1.238 173.699 174.900 0.061 0.000 1.338 346 G CA -0.455 44.711 45.100 0.110 0.000 0.941 346 G HN 1.070 nan 8.290 nan 0.000 0.633 347 K N -0.395 120.009 120.400 0.006 0.000 2.306 347 K HA 0.881 5.223 4.320 0.036 0.000 0.236 347 K C 0.966 177.493 176.600 -0.122 0.000 1.013 347 K CA 0.284 56.462 56.287 -0.182 0.000 0.857 347 K CB 1.925 34.087 32.500 -0.564 0.000 1.214 347 K HN 2.014 nan 8.250 nan 0.000 0.449 348 S N -0.348 115.261 115.700 -0.152 0.000 4.116 348 S HA -0.327 4.164 4.470 0.036 0.000 0.623 348 S C 0.973 175.616 174.600 0.071 0.000 1.933 348 S CA 0.960 59.175 58.200 0.025 0.000 4.224 348 S CB -1.674 61.657 63.200 0.218 0.000 0.208 348 S HN 0.807 nan 8.310 nan 0.000 0.527 349 Y N 2.993 123.331 120.300 0.063 0.000 2.207 349 Y HA -0.022 4.550 4.550 0.036 0.000 0.287 349 Y C 2.208 178.116 175.900 0.013 0.000 1.156 349 Y CA 2.327 60.448 58.100 0.035 0.000 1.182 349 Y CB -0.676 37.756 38.460 -0.046 0.000 0.979 349 Y HN 0.440 nan 8.280 nan 0.000 0.521 350 L N -2.014 119.341 121.223 0.220 0.000 2.056 350 L HA -0.062 4.300 4.340 0.036 0.000 0.207 350 L C 2.653 179.556 176.870 0.054 0.000 1.078 350 L CA 1.247 56.158 54.840 0.119 0.000 0.749 350 L CB -1.425 40.717 42.059 0.139 0.000 0.901 350 L HN 0.203 nan 8.230 nan 0.000 0.433 351 G N -0.207 108.590 108.800 -0.005 0.000 2.443 351 G HA2 -0.180 3.802 3.960 0.036 0.000 0.219 351 G HA3 -0.180 3.802 3.960 0.036 0.000 0.219 351 G C 1.585 176.372 174.900 -0.190 0.000 1.131 351 G CA 1.110 46.121 45.100 -0.148 0.000 0.775 351 G HN 0.283 nan 8.290 nan 0.000 0.547 352 T N 1.546 116.097 114.554 -0.005 0.000 2.746 352 T HA -0.082 4.290 4.350 0.036 0.000 0.267 352 T C 2.506 177.297 174.700 0.152 0.000 1.039 352 T CA 1.056 63.233 62.100 0.127 0.000 1.142 352 T CB -0.155 68.768 68.868 0.092 0.000 0.866 352 T HN 0.056 nan 8.240 nan 0.000 0.444 353 M N 1.074 120.752 119.600 0.130 0.000 2.229 353 M HA 0.083 4.585 4.480 0.036 0.000 0.264 353 M C 2.757 179.025 176.300 -0.053 0.000 1.063 353 M CA 1.024 56.351 55.300 0.045 0.000 1.114 353 M CB -1.402 31.230 32.600 0.053 0.000 1.387 353 M HN 0.310 nan 8.290 nan 0.000 0.420 354 A N -0.727 122.045 122.820 -0.080 0.000 1.873 354 A HA -0.176 4.166 4.320 0.036 0.000 0.215 354 A C 2.083 179.589 177.584 -0.130 0.000 1.186 354 A CA 1.223 53.190 52.037 -0.117 0.000 0.616 354 A CB -1.053 17.843 19.000 -0.172 0.000 0.823 354 A HN 0.464 nan 8.150 nan 0.000 0.442 355 Y N -0.122 120.060 120.300 -0.196 0.000 2.097 355 Y HA -0.191 4.380 4.550 0.036 0.000 0.282 355 Y C 2.885 178.621 175.900 -0.273 0.000 1.152 355 Y CA 0.663 58.551 58.100 -0.354 0.000 1.136 355 Y CB -0.589 37.627 38.460 -0.407 0.000 0.975 355 Y HN 0.402 nan 8.280 nan 0.000 0.498 356 G N -0.236 108.337 108.800 -0.379 0.000 2.459 356 G HA2 -0.328 3.653 3.960 0.036 0.000 0.217 356 G HA3 -0.328 3.653 3.960 0.036 0.000 0.217 356 G C 1.854 176.578 174.900 -0.293 0.000 1.183 356 G CA 1.148 45.702 45.100 -0.910 0.000 0.776 356 G HN 0.482 nan 8.290 nan 0.000 0.552 357 A N 1.117 123.848 122.820 -0.149 0.000 1.940 357 A HA 0.171 4.513 4.320 0.036 0.000 0.219 357 A C 2.812 180.445 177.584 0.082 0.000 1.176 357 A CA 2.458 54.497 52.037 0.003 0.000 0.631 357 A CB -0.788 18.217 19.000 0.010 0.000 0.814 357 A HN 0.916 nan 8.150 nan 0.000 0.446 358 A N -0.287 122.589 122.820 0.094 0.000 1.933 358 A HA -0.085 4.256 4.320 0.036 0.000 0.218 358 A C 2.278 179.989 177.584 0.211 0.000 1.175 358 A CA 2.255 54.395 52.037 0.172 0.000 0.628 358 A CB -1.371 17.775 19.000 0.244 0.000 0.814 358 A HN 0.865 nan 8.150 nan 0.000 0.444 359 T N -2.347 112.352 114.554 0.242 0.000 3.163 359 T HA -0.034 4.338 4.350 0.036 0.000 0.260 359 T C 1.347 176.189 174.700 0.236 0.000 1.156 359 T CA 1.599 63.858 62.100 0.264 0.000 1.072 359 T CB -0.803 68.282 68.868 0.362 0.000 0.937 359 T HN 0.594 nan 8.240 nan 0.000 0.528 360 T N -2.863 111.830 114.554 0.232 0.000 3.037 360 T HA 0.419 4.790 4.350 0.036 0.000 0.251 360 T C 1.976 176.765 174.700 0.148 0.000 1.079 360 T CA 0.506 62.746 62.100 0.233 0.000 1.067 360 T CB -0.483 68.574 68.868 0.315 0.000 0.948 360 T HN 0.818 nan 8.240 nan 0.000 0.496 361 G N 1.182 110.060 108.800 0.130 0.000 2.168 361 G HA2 -0.246 3.736 3.960 0.036 0.000 0.257 361 G HA3 -0.246 3.736 3.960 0.036 0.000 0.257 361 G C 0.240 175.186 174.900 0.077 0.000 0.997 361 G CA 0.173 45.331 45.100 0.097 0.000 0.708 361 G HN 0.921 nan 8.290 nan 0.000 0.520 362 V N 0.881 120.846 119.914 0.085 0.000 2.584 362 V HA 0.204 4.345 4.120 0.036 0.000 0.303 362 V C 1.010 177.127 176.094 0.039 0.000 1.035 362 V CA 0.305 62.641 62.300 0.059 0.000 1.172 362 V CB 0.460 32.325 31.823 0.070 0.000 0.896 362 V HN 0.448 nan 8.190 nan 0.000 0.486 363 E N 5.397 125.608 120.200 0.019 0.000 2.384 363 E HA 0.426 4.798 4.350 0.036 0.000 0.266 363 E C 1.083 177.678 176.600 -0.008 0.000 1.012 363 E CA 0.588 56.991 56.400 0.005 0.000 0.901 363 E CB 0.941 30.636 29.700 -0.008 0.000 0.967 363 E HN 1.066 nan 8.360 nan 0.000 0.435 364 G N 2.785 111.577 108.800 -0.014 0.000 2.339 364 G HA2 -0.237 3.744 3.960 0.036 0.000 0.209 364 G HA3 -0.237 3.744 3.960 0.036 0.000 0.209 364 G C 0.080 174.966 174.900 -0.023 0.000 1.015 364 G CA -0.449 44.632 45.100 -0.031 0.000 0.635 364 G HN 0.490 nan 8.290 nan 0.000 0.499 365 L N 2.601 123.823 121.223 -0.001 0.000 2.462 365 L HA 0.354 4.715 4.340 0.036 0.000 0.283 365 L C 1.139 178.018 176.870 0.015 0.000 1.166 365 L CA 0.460 55.304 54.840 0.006 0.000 0.964 365 L CB 0.268 42.346 42.059 0.032 0.000 1.294 365 L HN 0.269 nan 8.230 nan 0.000 0.449 366 E N 4.424 124.617 120.200 -0.013 0.000 2.216 366 E HA 0.025 4.397 4.350 0.036 0.000 0.192 366 E C 0.230 176.850 176.600 0.033 0.000 0.988 366 E CA 0.552 56.954 56.400 0.002 0.000 0.834 366 E CB 0.181 29.863 29.700 -0.029 0.000 0.772 366 E HN 0.692 nan 8.360 nan 0.000 0.479 367 L N -2.200 119.022 121.223 -0.001 0.000 2.794 367 L HA 0.466 4.827 4.340 0.036 0.000 0.261 367 L C -1.218 175.651 176.870 -0.001 0.000 0.989 367 L CA -1.111 53.751 54.840 0.036 0.000 0.900 367 L CB 1.388 43.479 42.059 0.053 0.000 1.473 367 L HN -0.074 nan 8.230 nan 0.000 0.414 368 I N -0.067 120.536 120.570 0.055 0.000 2.608 368 I HA 0.744 4.936 4.170 0.036 0.000 0.295 368 I C -1.415 174.745 176.117 0.072 0.000 1.049 368 I CA -1.004 60.319 61.300 0.037 0.000 1.063 368 I CB 2.222 40.230 38.000 0.013 0.000 1.248 368 I HN 0.716 nan 8.210 nan 0.000 0.424 369 L N 5.780 127.057 121.223 0.090 0.000 2.506 369 L HA 0.667 5.028 4.340 0.036 0.000 0.247 369 L C 0.013 176.918 176.870 0.059 0.000 1.141 369 L CA -0.330 54.592 54.840 0.137 0.000 0.973 369 L CB 0.485 42.694 42.059 0.250 0.000 1.319 369 L HN 0.808 nan 8.230 nan 0.000 0.455 370 A N 3.580 126.355 122.820 -0.076 0.000 2.350 370 A HA 0.535 4.876 4.320 0.036 0.000 0.293 370 A C -0.040 177.460 177.584 -0.140 0.000 1.231 370 A CA -0.291 51.572 52.037 -0.289 0.000 0.883 370 A CB -0.050 18.389 19.000 -0.935 0.000 1.133 370 A HN 0.661 nan 8.150 nan 0.000 0.533 371 E N 2.119 122.259 120.200 -0.100 0.000 2.158 371 E HA 0.500 4.872 4.350 0.036 0.000 0.271 371 E C 0.309 176.784 176.600 -0.208 0.000 0.911 371 E CA -0.168 56.177 56.400 -0.091 0.000 0.767 371 E CB 1.613 31.289 29.700 -0.041 0.000 1.120 371 E HN 1.233 nan 8.360 nan 0.000 0.405 372 A N 2.689 125.317 122.820 -0.321 0.000 2.596 372 A HA -0.184 4.158 4.320 0.036 0.000 0.300 372 A C 0.606 178.101 177.584 -0.148 0.000 1.495 372 A CA 0.864 52.595 52.037 -0.511 0.000 0.769 372 A CB -1.943 16.752 19.000 -0.509 0.000 1.047 372 A HN 0.698 nan 8.150 nan 0.000 0.436 373 G N -1.375 107.435 108.800 0.017 0.000 2.488 373 G HA2 0.609 4.590 3.960 0.036 0.000 0.318 373 G HA3 0.609 4.590 3.960 0.036 0.000 0.318 373 G C -0.184 174.835 174.900 0.199 0.000 1.188 373 G CA -0.757 44.386 45.100 0.070 0.000 0.944 373 G HN 0.684 nan 8.290 nan 0.000 0.495 374 I N 0.774 121.332 120.570 -0.019 0.000 2.336 374 I HA 0.147 4.338 4.170 0.036 0.000 0.292 374 I C 1.204 177.259 176.117 -0.105 0.000 0.991 374 I CA -0.418 60.723 61.300 -0.265 0.000 1.227 374 I CB 2.178 39.602 38.000 -0.960 0.000 1.366 374 I HN 0.599 nan 8.210 nan 0.000 0.466 375 S N 2.382 117.973 115.700 -0.180 0.000 2.503 375 S HA 0.125 4.616 4.470 0.036 0.000 0.215 375 S C 0.634 175.141 174.600 -0.155 0.000 1.003 375 S CA -0.242 57.867 58.200 -0.152 0.000 0.910 375 S CB 0.370 63.449 63.200 -0.201 0.000 0.790 375 S HN 0.544 nan 8.310 nan 0.000 0.514 376 S N -0.350 115.221 115.700 -0.216 0.000 2.653 376 S HA 0.382 4.873 4.470 0.036 0.000 0.268 376 S C -0.617 173.932 174.600 -0.085 0.000 1.153 376 S CA -0.783 57.342 58.200 -0.126 0.000 1.036 376 S CB 0.048 63.281 63.200 0.054 0.000 1.103 376 S HN 0.417 nan 8.310 nan 0.000 0.466 377 W N 3.133 124.406 121.300 -0.045 0.000 2.350 377 W HA -0.127 4.554 4.660 0.036 0.000 0.289 377 W C 1.803 178.322 176.519 -0.001 0.000 1.215 377 W CA 1.279 58.675 57.345 0.085 0.000 1.236 377 W CB -0.456 29.171 29.460 0.278 0.000 1.130 377 W HN 0.955 nan 8.180 nan 0.000 0.541 378 Y N 1.711 122.010 120.300 -0.002 0.000 2.114 378 Y HA -0.347 4.225 4.550 0.036 0.000 0.282 378 Y C 1.784 177.489 175.900 -0.324 0.000 1.165 378 Y CA 2.474 60.247 58.100 -0.545 0.000 1.148 378 Y CB -0.894 37.437 38.460 -0.215 0.000 0.972 378 Y HN -0.035 nan 8.280 nan 0.000 0.504 379 N N -1.545 117.121 118.700 -0.056 0.000 2.453 379 N HA -0.176 4.586 4.740 0.036 0.000 0.183 379 N C 1.277 176.701 175.510 -0.143 0.000 1.041 379 N CA 0.883 53.879 53.050 -0.091 0.000 0.900 379 N CB -0.365 38.151 38.487 0.050 0.000 0.961 379 N HN 0.419 nan 8.380 nan 0.000 0.443 380 Y N -0.371 119.729 120.300 -0.333 0.000 2.337 380 Y HA -0.042 4.530 4.550 0.036 0.000 0.293 380 Y C 0.627 176.235 175.900 -0.487 0.000 1.123 380 Y CA 1.135 58.965 58.100 -0.449 0.000 1.201 380 Y CB 0.054 38.116 38.460 -0.664 0.000 1.011 380 Y HN 0.127 nan 8.280 nan 0.000 0.545 381 Y N -0.450 119.677 120.300 -0.289 0.000 2.500 381 Y HA 0.361 4.933 4.550 0.036 0.000 0.246 381 Y C 0.317 175.934 175.900 -0.471 0.000 1.146 381 Y CA -0.628 57.269 58.100 -0.338 0.000 1.230 381 Y CB 0.577 38.986 38.460 -0.084 0.000 1.214 381 Y HN -0.319 nan 8.280 nan 0.000 0.526 382 R N 0.476 120.641 120.500 -0.558 0.000 2.781 382 R HA 0.453 4.814 4.340 0.036 0.000 0.269 382 R C -1.355 174.627 176.300 -0.529 0.000 1.025 382 R CA -0.900 54.770 56.100 -0.716 0.000 0.914 382 R CB 2.295 31.700 30.300 -1.492 0.000 1.236 382 R HN 0.093 nan 8.270 nan 0.000 0.465 383 E N 1.244 121.258 120.200 -0.311 0.000 2.428 383 E HA 0.156 4.528 4.350 0.036 0.000 0.307 383 E C -1.202 175.427 176.600 0.047 0.000 0.902 383 E CA -0.401 55.963 56.400 -0.059 0.000 0.799 383 E CB 0.555 30.240 29.700 -0.024 0.000 1.351 383 E HN 0.571 nan 8.360 nan 0.000 0.392 384 N N 3.370 122.170 118.700 0.167 0.000 2.667 384 N HA -0.221 4.540 4.740 0.036 0.000 0.263 384 N C 0.519 176.095 175.510 0.109 0.000 1.038 384 N CA 1.658 54.787 53.050 0.131 0.000 0.749 384 N CB -1.073 37.459 38.487 0.074 0.000 0.892 384 N HN 1.072 nan 8.380 nan 0.000 0.546 385 G N -1.581 107.340 108.800 0.202 0.000 2.179 385 G HA2 -0.288 3.693 3.960 0.036 0.000 0.257 385 G HA3 -0.288 3.693 3.960 0.036 0.000 0.257 385 G C -0.164 174.781 174.900 0.075 0.000 1.010 385 G CA 0.679 45.877 45.100 0.163 0.000 0.736 385 G HN 0.552 nan 8.290 nan 0.000 0.513 386 L N -0.209 121.013 121.223 -0.002 0.000 2.388 386 L HA 0.731 5.092 4.340 0.036 0.000 0.264 386 L C 0.220 176.958 176.870 -0.220 0.000 0.998 386 L CA -1.016 53.739 54.840 -0.141 0.000 0.817 386 L CB 2.354 44.270 42.059 -0.237 0.000 1.338 386 L HN 0.033 nan 8.230 nan 0.000 0.414 387 V N 5.014 124.785 119.914 -0.239 0.000 2.415 387 V HA 0.382 4.524 4.120 0.036 0.000 0.267 387 V C 0.200 176.096 176.094 -0.329 0.000 1.042 387 V CA -0.194 61.960 62.300 -0.242 0.000 1.000 387 V CB 0.387 32.097 31.823 -0.189 0.000 1.015 387 V HN 0.583 nan 8.190 nan 0.000 0.478 388 R N 3.912 124.222 120.500 -0.317 0.000 2.467 388 R HA 0.331 4.693 4.340 0.036 0.000 0.299 388 R C -0.365 175.808 176.300 -0.211 0.000 1.120 388 R CA -0.230 55.651 56.100 -0.366 0.000 0.940 388 R CB 1.625 31.647 30.300 -0.464 0.000 1.161 388 R HN 0.709 nan 8.270 nan 0.000 0.506 389 S N 4.894 120.500 115.700 -0.157 0.000 2.560 389 S HA 0.155 4.646 4.470 0.036 0.000 0.284 389 S C -2.304 172.254 174.600 -0.070 0.000 1.327 389 S CA -0.692 57.456 58.200 -0.088 0.000 1.055 389 S CB 0.662 63.789 63.200 -0.122 0.000 0.868 389 S HN 0.435 nan 8.310 nan 0.000 0.506 390 P HA 0.098 nan 4.420 nan 0.000 0.266 390 P C 0.272 177.596 177.300 0.040 0.000 1.195 390 P CA 0.041 63.041 63.100 -0.167 0.000 0.768 390 P CB 0.196 31.653 31.700 -0.404 0.000 0.838 391 G N 1.998 110.900 108.800 0.170 0.000 2.224 391 G HA2 0.253 4.235 3.960 0.036 0.000 0.239 391 G HA3 0.253 4.235 3.960 0.036 0.000 0.239 391 G C 1.157 176.123 174.900 0.110 0.000 1.240 391 G CA 0.366 45.560 45.100 0.158 0.000 0.896 391 G HN 0.892 nan 8.290 nan 0.000 0.496 392 G N 1.067 109.768 108.800 -0.165 0.000 2.205 392 G HA2 -0.268 3.713 3.960 0.036 0.000 0.261 392 G HA3 -0.268 3.713 3.960 0.036 0.000 0.261 392 G C 0.264 174.803 174.900 -0.601 0.000 0.980 392 G CA 0.623 45.568 45.100 -0.259 0.000 0.632 392 G HN 0.907 nan 8.290 nan 0.000 0.533 393 F N 2.495 122.374 119.950 -0.118 0.000 2.622 393 F HA 0.387 4.935 4.527 0.036 0.000 0.338 393 F C -1.937 173.803 175.800 -0.099 0.000 1.334 393 F CA -2.109 55.863 58.000 -0.047 0.000 1.179 393 F CB 1.723 40.736 39.000 0.021 0.000 1.471 393 F HN -0.101 nan 8.300 nan 0.000 0.576 394 P HA 0.195 nan 4.420 nan 0.000 0.271 394 P C 0.874 178.194 177.300 0.033 0.000 1.216 394 P CA 0.735 63.781 63.100 -0.090 0.000 0.776 394 P CB 1.498 33.104 31.700 -0.156 0.000 0.881 395 G N 1.025 109.846 108.800 0.035 0.000 2.176 395 G HA2 -0.244 3.737 3.960 0.036 0.000 0.253 395 G HA3 -0.244 3.737 3.960 0.036 0.000 0.253 395 G C 0.118 175.116 174.900 0.165 0.000 0.979 395 G CA 0.193 45.354 45.100 0.102 0.000 0.641 395 G HN 0.694 nan 8.290 nan 0.000 0.530 396 E N 0.465 120.754 120.200 0.147 0.000 2.313 396 E HA 0.540 4.911 4.350 0.036 0.000 0.272 396 E C -0.652 175.946 176.600 -0.003 0.000 1.038 396 E CA -0.534 55.957 56.400 0.152 0.000 0.863 396 E CB 0.861 30.701 29.700 0.233 0.000 1.060 396 E HN 0.170 nan 8.360 nan 0.000 0.402 397 D N 2.167 122.431 120.400 -0.227 0.000 2.692 397 D HA 0.041 4.702 4.640 0.036 0.000 0.303 397 D C 0.412 176.237 176.300 -0.792 0.000 1.278 397 D CA -0.615 52.886 54.000 -0.830 0.000 0.852 397 D CB 1.152 41.780 40.800 -0.286 0.000 1.375 397 D HN 0.396 nan 8.370 nan 0.000 0.453 398 L N 1.469 122.309 121.223 -0.638 0.000 2.127 398 L HA -0.129 4.233 4.340 0.036 0.000 0.211 398 L C 1.640 178.517 176.870 0.012 0.000 1.089 398 L CA 2.334 57.140 54.840 -0.056 0.000 0.757 398 L CB -0.514 41.636 42.059 0.151 0.000 0.899 398 L HN 0.466 nan 8.230 nan 0.000 0.434 399 D N -1.785 118.619 120.400 0.007 0.000 2.183 399 D HA -0.135 4.527 4.640 0.036 0.000 0.203 399 D C 1.999 178.334 176.300 0.057 0.000 0.969 399 D CA 1.298 55.323 54.000 0.042 0.000 0.842 399 D CB -0.812 40.011 40.800 0.039 0.000 0.957 399 D HN 0.270 nan 8.370 nan 0.000 0.484 400 V N 0.579 120.524 119.914 0.051 0.000 2.427 400 V HA -0.163 3.979 4.120 0.036 0.000 0.248 400 V C 2.507 178.678 176.094 0.128 0.000 1.051 400 V CA 1.107 63.443 62.300 0.059 0.000 1.048 400 V CB -0.562 31.290 31.823 0.048 0.000 0.666 400 V HN 0.158 nan 8.190 nan 0.000 0.456 401 L N 0.949 122.272 121.223 0.167 0.000 2.093 401 L HA 0.013 4.374 4.340 0.036 0.000 0.208 401 L C 2.439 179.430 176.870 0.203 0.000 1.085 401 L CA 2.165 57.152 54.840 0.245 0.000 0.755 401 L CB -0.961 41.308 42.059 0.350 0.000 0.904 401 L HN 0.210 nan 8.230 nan 0.000 0.435 402 A N -0.406 122.496 122.820 0.138 0.000 1.902 402 A HA -0.119 4.223 4.320 0.036 0.000 0.217 402 A C 2.448 180.139 177.584 0.177 0.000 1.181 402 A CA 1.802 53.895 52.037 0.094 0.000 0.623 402 A CB -1.130 17.889 19.000 0.032 0.000 0.818 402 A HN 0.546 nan 8.150 nan 0.000 0.443 403 A N -0.730 122.215 122.820 0.208 0.000 1.930 403 A HA 0.010 4.352 4.320 0.036 0.000 0.217 403 A C 2.123 179.836 177.584 0.216 0.000 1.175 403 A CA 1.638 53.844 52.037 0.283 0.000 0.627 403 A CB -0.531 18.610 19.000 0.234 0.000 0.815 403 A HN 0.661 nan 8.150 nan 0.000 0.443 404 L N 0.299 121.635 121.223 0.188 0.000 2.056 404 L HA -0.076 4.285 4.340 0.036 0.000 0.207 404 L C 2.315 179.283 176.870 0.164 0.000 1.078 404 L CA 2.632 57.578 54.840 0.177 0.000 0.749 404 L CB -0.480 41.706 42.059 0.212 0.000 0.901 404 L HN 0.485 nan 8.230 nan 0.000 0.433 405 T N -4.051 110.598 114.554 0.159 0.000 3.122 405 T HA 0.024 4.396 4.350 0.036 0.000 0.250 405 T C 0.502 175.223 174.700 0.036 0.000 1.067 405 T CA -0.201 61.942 62.100 0.072 0.000 0.966 405 T CB -0.721 68.147 68.868 0.000 0.000 1.002 405 T HN 0.241 nan 8.240 nan 0.000 0.542 406 Y N 3.607 123.873 120.300 -0.056 0.000 2.667 406 Y HA 0.390 4.962 4.550 0.036 0.000 0.340 406 Y C 1.353 177.180 175.900 -0.122 0.000 1.303 406 Y CA -1.437 56.587 58.100 -0.126 0.000 1.769 406 Y CB -0.300 38.059 38.460 -0.169 0.000 1.804 406 Y HN 0.316 nan 8.280 nan 0.000 0.451 407 S N 1.532 117.053 115.700 -0.299 0.000 2.607 407 S HA -0.038 4.453 4.470 0.036 0.000 0.224 407 S C 1.837 176.234 174.600 -0.339 0.000 0.969 407 S CA 0.135 58.191 58.200 -0.240 0.000 0.927 407 S CB -0.118 63.000 63.200 -0.137 0.000 0.772 407 S HN 0.726 nan 8.310 nan 0.000 0.533 408 R N 1.651 121.755 120.500 -0.660 0.000 2.120 408 R HA 0.051 4.412 4.340 0.036 0.000 0.234 408 R C 1.323 177.433 176.300 -0.316 0.000 1.123 408 R CA 1.239 57.027 56.100 -0.519 0.000 0.975 408 R CB -0.397 29.470 30.300 -0.722 0.000 0.866 408 R HN 0.350 nan 8.270 nan 0.000 0.446 409 N N 0.644 119.136 118.700 -0.348 0.000 2.550 409 N HA -0.040 4.722 4.740 0.036 0.000 0.186 409 N C 1.289 176.815 175.510 0.026 0.000 1.110 409 N CA 0.578 53.641 53.050 0.021 0.000 0.912 409 N CB 0.051 38.621 38.487 0.138 0.000 0.968 409 N HN 0.233 nan 8.380 nan 0.000 0.448 410 L N -0.507 120.683 121.223 -0.055 0.000 2.395 410 L HA 0.013 4.375 4.340 0.036 0.000 0.218 410 L C -0.253 176.603 176.870 -0.022 0.000 1.130 410 L CA 0.652 55.469 54.840 -0.039 0.000 0.826 410 L CB -0.094 41.937 42.059 -0.047 0.000 0.941 410 L HN -0.039 nan 8.230 nan 0.000 0.451 411 D N -0.026 120.371 120.400 -0.005 0.000 2.274 411 D HA 0.184 4.845 4.640 0.036 0.000 0.239 411 D C 1.046 177.380 176.300 0.058 0.000 1.104 411 D CA 0.087 54.099 54.000 0.019 0.000 0.840 411 D CB 2.016 42.829 40.800 0.022 0.000 1.100 411 D HN -0.019 nan 8.370 nan 0.000 0.477 412 G N 2.205 111.027 108.800 0.036 0.000 2.440 412 G HA2 -0.288 3.694 3.960 0.036 0.000 0.218 412 G HA3 -0.288 3.694 3.960 0.036 0.000 0.218 412 G C 1.441 176.420 174.900 0.130 0.000 1.154 412 G CA 1.080 46.215 45.100 0.058 0.000 0.767 412 G HN 0.555 nan 8.290 nan 0.000 0.552 413 A N 0.407 123.279 122.820 0.088 0.000 1.972 413 A HA -0.091 4.250 4.320 0.036 0.000 0.219 413 A C 2.130 179.771 177.584 0.095 0.000 1.169 413 A CA 2.152 54.239 52.037 0.083 0.000 0.635 413 A CB -0.404 18.629 19.000 0.054 0.000 0.810 413 A HN 0.359 nan 8.150 nan 0.000 0.446 414 D N -1.408 119.050 120.400 0.097 0.000 2.137 414 D HA -0.106 4.555 4.640 0.036 0.000 0.202 414 D C 1.711 178.088 176.300 0.129 0.000 0.970 414 D CA 0.944 54.993 54.000 0.083 0.000 0.837 414 D CB -0.257 40.566 40.800 0.039 0.000 0.981 414 D HN 0.359 nan 8.370 nan 0.000 0.475 415 F N 1.523 121.485 119.950 0.021 0.000 2.091 415 F HA -0.213 4.336 4.527 0.036 0.000 0.299 415 F C 2.276 178.112 175.800 0.060 0.000 1.103 415 F CA 1.359 59.386 58.000 0.045 0.000 1.228 415 F CB -0.414 38.603 39.000 0.029 0.000 0.984 415 F HN -0.070 nan 8.300 nan 0.000 0.477 416 L N 0.610 121.970 121.223 0.228 0.000 2.013 416 L HA -0.292 4.069 4.340 0.036 0.000 0.212 416 L C 2.595 179.468 176.870 0.005 0.000 1.073 416 L CA 2.297 57.204 54.840 0.112 0.000 0.753 416 L CB -0.797 41.343 42.059 0.135 0.000 0.890 416 L HN 0.282 nan 8.230 nan 0.000 0.432 417 K N -0.823 119.591 120.400 0.023 0.000 2.305 417 K HA 0.032 4.373 4.320 0.036 0.000 0.199 417 K C 1.391 177.995 176.600 0.008 0.000 1.047 417 K CA 1.213 57.508 56.287 0.013 0.000 0.976 417 K CB 0.096 32.613 32.500 0.027 0.000 0.765 417 K HN 0.218 nan 8.250 nan 0.000 0.474 418 G N 0.695 109.500 108.800 0.009 0.000 3.829 418 G HA2 -0.056 3.925 3.960 0.036 0.000 0.279 418 G HA3 -0.056 3.925 3.960 0.036 0.000 0.279 418 G C 0.427 175.362 174.900 0.059 0.000 1.008 418 G CA -0.307 44.833 45.100 0.066 0.000 0.840 418 G HN 0.227 nan 8.290 nan 0.000 0.474 419 N N 1.475 120.096 118.700 -0.131 0.000 2.216 419 N HA 0.002 4.763 4.740 0.036 0.000 0.183 419 N C 2.416 177.904 175.510 -0.038 0.000 1.017 419 N CA 1.703 54.635 53.050 -0.197 0.000 0.861 419 N CB -0.033 37.928 38.487 -0.876 0.000 0.986 419 N HN 0.191 nan 8.380 nan 0.000 0.428 420 A N 0.443 123.210 122.820 -0.089 0.000 1.865 420 A HA -0.171 4.170 4.320 0.036 0.000 0.217 420 A C 2.170 179.724 177.584 -0.051 0.000 1.191 420 A CA 1.947 53.948 52.037 -0.060 0.000 0.623 420 A CB -0.970 17.994 19.000 -0.060 0.000 0.826 420 A HN 0.458 nan 8.150 nan 0.000 0.444 421 E N -1.179 119.004 120.200 -0.028 0.000 2.153 421 E HA -0.212 4.160 4.350 0.036 0.000 0.194 421 E C 1.716 178.263 176.600 -0.088 0.000 0.988 421 E CA 1.675 58.043 56.400 -0.053 0.000 0.811 421 E CB -0.521 29.175 29.700 -0.006 0.000 0.746 421 E HN 0.718 nan 8.360 nan 0.000 0.466 422 Y N 1.226 121.449 120.300 -0.129 0.000 2.145 422 Y HA -0.120 4.452 4.550 0.036 0.000 0.286 422 Y C 1.796 177.616 175.900 -0.134 0.000 1.145 422 Y CA 2.246 60.245 58.100 -0.167 0.000 1.148 422 Y CB -0.276 37.989 38.460 -0.326 0.000 0.981 422 Y HN 0.072 nan 8.280 nan 0.000 0.507 423 E N 0.472 120.438 120.200 -0.390 0.000 2.110 423 E HA -0.227 4.145 4.350 0.036 0.000 0.193 423 E C 2.171 178.564 176.600 -0.344 0.000 0.988 423 E CA 1.278 57.411 56.400 -0.445 0.000 0.804 423 E CB -0.214 29.390 29.700 -0.160 0.000 0.745 423 E HN 0.492 nan 8.360 nan 0.000 0.458 424 K N 1.449 121.688 120.400 -0.267 0.000 2.032 424 K HA -0.177 4.164 4.320 0.036 0.000 0.209 424 K C 2.105 178.510 176.600 -0.325 0.000 1.048 424 K CA 1.339 57.482 56.287 -0.241 0.000 0.927 424 K CB 0.030 32.415 32.500 -0.193 0.000 0.712 424 K HN -0.040 nan 8.250 nan 0.000 0.441 425 R N 0.194 120.402 120.500 -0.487 0.000 2.148 425 R HA -0.054 4.307 4.340 0.036 0.000 0.223 425 R C 2.301 178.291 176.300 -0.517 0.000 1.088 425 R CA 0.678 56.354 56.100 -0.706 0.000 0.985 425 R CB -0.169 29.249 30.300 -1.470 0.000 0.880 425 R HN 0.191 nan 8.270 nan 0.000 0.451 426 L N 0.421 121.411 121.223 -0.388 0.000 2.109 426 L HA 0.025 4.387 4.340 0.036 0.000 0.207 426 L C 2.169 178.927 176.870 -0.186 0.000 1.086 426 L CA 1.536 56.263 54.840 -0.188 0.000 0.760 426 L CB -0.372 41.443 42.059 -0.407 0.000 0.910 426 L HN 0.080 nan 8.230 nan 0.000 0.437 427 A N -0.834 121.853 122.820 -0.222 0.000 1.902 427 A HA -0.250 4.092 4.320 0.036 0.000 0.217 427 A C 2.318 179.798 177.584 -0.173 0.000 1.181 427 A CA 1.724 53.659 52.037 -0.169 0.000 0.623 427 A CB -0.677 18.229 19.000 -0.156 0.000 0.818 427 A HN 0.590 nan 8.150 nan 0.000 0.443 428 E N -0.740 119.340 120.200 -0.200 0.000 2.110 428 E HA -0.219 4.153 4.350 0.036 0.000 0.193 428 E C 2.007 178.464 176.600 -0.238 0.000 0.988 428 E CA 1.365 57.645 56.400 -0.199 0.000 0.804 428 E CB -0.194 29.385 29.700 -0.202 0.000 0.745 428 E HN 0.679 nan 8.360 nan 0.000 0.458 429 M N 0.101 119.574 119.600 -0.212 0.000 2.099 429 M HA -0.143 4.359 4.480 0.036 0.000 0.262 429 M C 2.096 178.164 176.300 -0.388 0.000 1.067 429 M CA 1.792 56.924 55.300 -0.280 0.000 1.124 429 M CB -0.114 32.469 32.600 -0.029 0.000 1.353 429 M HN 0.032 nan 8.290 nan 0.000 0.410 430 T N 1.066 115.487 114.554 -0.220 0.000 2.699 430 T HA -0.136 4.236 4.350 0.036 0.000 0.268 430 T C 1.722 176.293 174.700 -0.214 0.000 1.036 430 T CA 1.652 63.653 62.100 -0.165 0.000 1.147 430 T CB -0.469 68.360 68.868 -0.065 0.000 0.862 430 T HN 0.615 nan 8.240 nan 0.000 0.446 431 A N 1.109 123.795 122.820 -0.223 0.000 1.929 431 A HA 0.298 4.640 4.320 0.036 0.000 0.216 431 A C 2.591 180.004 177.584 -0.286 0.000 1.176 431 A CA 1.530 53.445 52.037 -0.204 0.000 0.628 431 A CB -0.891 18.010 19.000 -0.164 0.000 0.816 431 A HN 0.497 nan 8.150 nan 0.000 0.444 432 A N -0.187 122.358 122.820 -0.458 0.000 2.015 432 A HA 0.039 4.380 4.320 0.036 0.000 0.219 432 A C 2.041 179.186 177.584 -0.731 0.000 1.163 432 A CA 1.192 52.838 52.037 -0.651 0.000 0.646 432 A CB -0.551 17.808 19.000 -1.067 0.000 0.806 432 A HN 0.480 nan 8.150 nan 0.000 0.448 433 L N -1.057 119.768 121.223 -0.664 0.000 2.131 433 L HA -0.149 4.212 4.340 0.036 0.000 0.210 433 L C 0.741 177.561 176.870 -0.084 0.000 1.092 433 L CA 0.970 55.563 54.840 -0.413 0.000 0.759 433 L CB -0.682 41.220 42.059 -0.262 0.000 0.903 433 L HN 0.451 nan 8.230 nan 0.000 0.435 434 D N 0.232 120.565 120.400 -0.113 0.000 2.927 434 D HA -0.198 4.463 4.640 0.036 0.000 0.236 434 D C 1.019 177.336 176.300 0.029 0.000 1.163 434 D CA 0.399 54.386 54.000 -0.020 0.000 0.801 434 D CB -0.280 40.541 40.800 0.035 0.000 0.975 434 D HN 0.221 nan 8.370 nan 0.000 0.413 435 R N 0.602 121.077 120.500 -0.041 0.000 2.280 435 R HA -0.026 4.335 4.340 0.036 0.000 0.207 435 R C 2.051 178.331 176.300 -0.033 0.000 1.043 435 R CA 0.799 56.862 56.100 -0.061 0.000 1.006 435 R CB 0.153 30.343 30.300 -0.184 0.000 0.885 435 R HN 0.324 nan 8.270 nan 0.000 0.467 436 K N 0.117 120.508 120.400 -0.015 0.000 2.001 436 K HA -0.115 4.226 4.320 0.036 0.000 0.208 436 K C 2.263 178.878 176.600 0.024 0.000 1.048 436 K CA 2.018 58.305 56.287 0.000 0.000 0.932 436 K CB 0.066 32.564 32.500 -0.002 0.000 0.715 436 K HN 0.155 nan 8.250 nan 0.000 0.437 437 S N -1.519 114.212 115.700 0.051 0.000 2.427 437 S HA 0.098 4.590 4.470 0.036 0.000 0.224 437 S C 1.560 176.217 174.600 0.095 0.000 1.047 437 S CA 0.628 58.878 58.200 0.083 0.000 0.953 437 S CB 0.413 63.683 63.200 0.117 0.000 0.824 437 S HN 0.433 nan 8.310 nan 0.000 0.502 438 G N 1.485 110.357 108.800 0.119 0.000 2.143 438 G HA2 -0.176 3.805 3.960 0.036 0.000 0.249 438 G HA3 -0.176 3.805 3.960 0.036 0.000 0.249 438 G C -0.359 174.690 174.900 0.248 0.000 0.981 438 G CA 0.241 45.416 45.100 0.125 0.000 0.665 438 G HN 0.555 nan 8.290 nan 0.000 0.528 439 D N -0.954 119.619 120.400 0.288 0.000 2.354 439 D HA 0.420 5.082 4.640 0.036 0.000 0.247 439 D C 0.415 176.989 176.300 0.456 0.000 1.138 439 D CA -0.346 53.853 54.000 0.331 0.000 0.958 439 D CB 0.722 41.674 40.800 0.254 0.000 1.144 439 D HN 0.147 nan 8.370 nan 0.000 0.458 440 Y N 1.521 121.874 120.300 0.089 0.000 2.397 440 Y HA 0.119 4.691 4.550 0.036 0.000 0.335 440 Y C 0.379 176.405 175.900 0.211 0.000 1.213 440 Y CA 0.208 58.269 58.100 -0.065 0.000 1.391 440 Y CB 0.426 38.619 38.460 -0.445 0.000 1.293 440 Y HN 0.461 nan 8.280 nan 0.000 0.557 441 N N 1.058 119.792 118.700 0.056 0.000 3.243 441 N HA 0.143 4.904 4.740 0.036 0.000 0.280 441 N C -0.195 175.318 175.510 0.005 0.000 1.545 441 N CA -0.739 52.379 53.050 0.113 0.000 0.854 441 N CB 0.533 39.128 38.487 0.180 0.000 1.612 441 N HN 0.427 nan 8.380 nan 0.000 0.577 442 Q N -0.585 119.267 119.800 0.085 0.000 2.124 442 Q HA 0.075 4.437 4.340 0.036 0.000 0.202 442 Q C 1.335 177.402 176.000 0.111 0.000 0.977 442 Q CA 1.642 57.512 55.803 0.112 0.000 0.850 442 Q CB -0.546 28.264 28.738 0.120 0.000 0.901 442 Q HN 0.622 nan 8.270 nan 0.000 0.429 443 F N -1.145 118.746 119.950 -0.098 0.000 2.126 443 F HA -0.182 4.366 4.527 0.036 0.000 0.299 443 F C 1.349 177.031 175.800 -0.197 0.000 1.096 443 F CA 1.778 59.653 58.000 -0.207 0.000 1.255 443 F CB -0.384 38.382 39.000 -0.390 0.000 0.997 443 F HN 0.184 nan 8.300 nan 0.000 0.479 444 W N -1.202 120.103 121.300 0.009 0.000 2.418 444 W HA -0.142 4.540 4.660 0.036 0.000 0.292 444 W C 2.568 178.974 176.519 -0.188 0.000 1.213 444 W CA 1.120 58.395 57.345 -0.117 0.000 1.283 444 W CB -0.705 28.641 29.460 -0.189 0.000 1.119 444 W HN 0.070 nan 8.180 nan 0.000 0.542 445 H N 0.420 119.409 119.070 -0.134 0.000 2.421 445 H HA -0.139 4.438 4.556 0.036 0.000 0.298 445 H C 1.386 176.779 175.328 0.108 0.000 1.087 445 H CA 1.824 57.900 56.048 0.047 0.000 1.330 445 H CB -0.310 29.513 29.762 0.101 0.000 1.388 445 H HN -0.064 nan 8.280 nan 0.000 0.526 446 D N -0.288 120.148 120.400 0.060 0.000 2.363 446 D HA -0.005 4.656 4.640 0.036 0.000 0.226 446 D C 0.695 177.022 176.300 0.045 0.000 1.020 446 D CA 0.546 54.569 54.000 0.037 0.000 0.892 446 D CB 0.109 40.888 40.800 -0.036 0.000 0.900 446 D HN 0.420 nan 8.370 nan 0.000 0.531 447 R N 0.191 120.696 120.500 0.008 0.000 2.700 447 R HA 0.207 4.568 4.340 0.036 0.000 0.399 447 R C -0.116 176.157 176.300 -0.045 0.000 1.115 447 R CA -0.189 55.908 56.100 -0.005 0.000 1.058 447 R CB 0.182 30.459 30.300 -0.039 0.000 1.389 447 R HN -0.054 nan 8.270 nan 0.000 0.582 448 N N 0.241 118.936 118.700 -0.008 0.000 2.564 448 N HA 0.100 4.861 4.740 0.036 0.000 0.248 448 N C -0.053 175.515 175.510 0.097 0.000 0.986 448 N CA -0.335 52.707 53.050 -0.013 0.000 0.921 448 N CB 0.597 39.156 38.487 0.119 0.000 1.136 448 N HN 0.024 nan 8.380 nan 0.000 0.509 449 Y N 2.590 123.027 120.300 0.228 0.000 2.519 449 Y HA 0.066 4.637 4.550 0.036 0.000 0.287 449 Y C 1.759 177.795 175.900 0.227 0.000 1.128 449 Y CA 0.003 58.273 58.100 0.284 0.000 1.282 449 Y CB -0.144 38.478 38.460 0.269 0.000 1.027 449 Y HN 0.557 nan 8.280 nan 0.000 0.551 450 L N 0.542 121.916 121.223 0.252 0.000 2.187 450 L HA -0.208 4.154 4.340 0.036 0.000 0.213 450 L C 2.108 179.011 176.870 0.055 0.000 1.100 450 L CA 1.397 56.307 54.840 0.117 0.000 0.765 450 L CB -0.677 41.418 42.059 0.060 0.000 0.904 450 L HN 0.343 nan 8.230 nan 0.000 0.437 451 I N -3.613 117.004 120.570 0.078 0.000 3.444 451 I HA -0.042 4.149 4.170 0.036 0.000 0.287 451 I C 0.879 177.020 176.117 0.040 0.000 1.302 451 I CA 0.880 62.202 61.300 0.037 0.000 1.368 451 I CB -0.275 37.728 38.000 0.005 0.000 1.048 451 I HN 0.222 nan 8.210 nan 0.000 0.487 452 N N 1.125 119.881 118.700 0.092 0.000 2.238 452 N HA 0.050 4.811 4.740 0.036 0.000 0.235 452 N C 1.348 176.894 175.510 0.060 0.000 1.209 452 N CA 0.778 53.877 53.050 0.080 0.000 0.879 452 N CB 0.638 39.203 38.487 0.130 0.000 1.136 452 N HN 0.465 nan 8.380 nan 0.000 0.517 453 T N -1.436 113.106 114.554 -0.020 0.000 3.051 453 T HA -0.128 4.243 4.350 0.036 0.000 0.269 453 T C 1.273 175.885 174.700 -0.147 0.000 1.127 453 T CA 0.820 62.827 62.100 -0.156 0.000 1.107 453 T CB -0.134 68.488 68.868 -0.410 0.000 0.898 453 T HN 0.250 nan 8.240 nan 0.000 0.517 454 D N 1.547 121.898 120.400 -0.082 0.000 2.348 454 D HA -0.098 4.563 4.640 0.036 0.000 0.216 454 D C 1.465 177.751 176.300 -0.023 0.000 0.970 454 D CA 0.505 54.467 54.000 -0.063 0.000 0.889 454 D CB -0.137 40.639 40.800 -0.041 0.000 0.912 454 D HN 0.408 nan 8.370 nan 0.000 0.524 455 K N 0.506 120.907 120.400 0.001 0.000 2.374 455 K HA 0.163 4.504 4.320 0.036 0.000 0.196 455 K C 0.176 176.812 176.600 0.060 0.000 1.023 455 K CA -0.195 56.114 56.287 0.036 0.000 1.103 455 K CB 1.504 34.035 32.500 0.052 0.000 0.848 455 K HN -0.021 nan 8.250 nan 0.000 0.528 456 V N 2.764 122.696 119.914 0.031 0.000 2.479 456 V HA 0.008 4.150 4.120 0.036 0.000 0.281 456 V C 0.897 177.084 176.094 0.154 0.000 1.031 456 V CA 0.404 62.741 62.300 0.061 0.000 1.038 456 V CB 0.923 32.710 31.823 -0.059 0.000 0.981 456 V HN 0.168 nan 8.190 nan 0.000 0.478 457 K N 2.963 123.488 120.400 0.207 0.000 2.399 457 K HA 0.358 4.700 4.320 0.036 0.000 0.196 457 K C 0.788 177.534 176.600 0.244 0.000 1.103 457 K CA 0.354 56.784 56.287 0.238 0.000 0.986 457 K CB 0.670 33.243 32.500 0.122 0.000 0.952 457 K HN 0.660 nan 8.250 nan 0.000 0.541 458 A N 1.953 124.913 122.820 0.234 0.000 2.407 458 A HA 0.193 4.535 4.320 0.036 0.000 0.248 458 A C -0.535 177.234 177.584 0.309 0.000 1.082 458 A CA -0.268 51.892 52.037 0.205 0.000 0.785 458 A CB 0.045 19.139 19.000 0.158 0.000 1.020 458 A HN 0.077 nan 8.150 nan 0.000 0.489 459 D N 0.102 120.642 120.400 0.234 0.000 2.423 459 D HA 0.359 5.021 4.640 0.036 0.000 0.238 459 D C -0.380 176.101 176.300 0.301 0.000 1.142 459 D CA 0.623 54.790 54.000 0.278 0.000 0.884 459 D CB 0.761 41.761 40.800 0.333 0.000 1.199 459 D HN 0.145 nan 8.370 nan 0.000 0.438 460 V N 3.439 123.559 119.914 0.342 0.000 2.378 460 V HA 0.301 4.442 4.120 0.036 0.000 0.288 460 V C -0.164 176.125 176.094 0.326 0.000 1.016 460 V CA -0.694 61.811 62.300 0.341 0.000 0.840 460 V CB 0.981 33.071 31.823 0.446 0.000 0.994 460 V HN 0.325 nan 8.190 nan 0.000 0.431 461 L N 6.425 127.803 121.223 0.258 0.000 2.305 461 L HA 0.638 4.999 4.340 0.036 0.000 0.284 461 L C -0.609 176.456 176.870 0.325 0.000 1.013 461 L CA -0.373 54.644 54.840 0.296 0.000 0.819 461 L CB 1.810 43.968 42.059 0.167 0.000 1.227 461 L HN 0.470 nan 8.230 nan 0.000 0.417 462 I N 3.530 124.356 120.570 0.427 0.000 2.441 462 I HA 0.529 4.720 4.170 0.036 0.000 0.295 462 I C -0.579 175.777 176.117 0.398 0.000 0.994 462 I CA -0.866 60.670 61.300 0.394 0.000 1.144 462 I CB 2.413 40.713 38.000 0.499 0.000 1.314 462 I HN 0.208 nan 8.210 nan 0.000 0.445 463 V N 5.259 125.348 119.914 0.292 0.000 2.588 463 V HA 0.555 4.696 4.120 0.036 0.000 0.304 463 V C -0.754 175.454 176.094 0.190 0.000 1.042 463 V CA -0.537 61.910 62.300 0.245 0.000 0.877 463 V CB 1.963 33.841 31.823 0.092 0.000 0.996 463 V HN 0.652 nan 8.190 nan 0.000 0.425 464 H N 1.848 120.959 119.070 0.069 0.000 3.086 464 H HA 0.448 5.026 4.556 0.036 0.000 0.353 464 H C -0.144 174.908 175.328 -0.461 0.000 1.134 464 H CA -0.060 55.946 56.048 -0.070 0.000 1.248 464 H CB 2.353 32.120 29.762 0.008 0.000 1.878 464 H HN 0.854 nan 8.280 nan 0.000 0.527 465 G N 3.000 111.517 108.800 -0.472 0.000 2.353 465 G HA2 0.333 4.315 3.960 0.036 0.000 0.284 465 G HA3 0.333 4.315 3.960 0.036 0.000 0.284 465 G C 0.908 175.636 174.900 -0.287 0.000 1.172 465 G CA -0.508 44.133 45.100 -0.766 0.000 0.854 465 G HN 0.614 nan 8.290 nan 0.000 0.485 466 L N 1.122 122.166 121.223 -0.300 0.000 2.610 466 L HA 0.077 4.438 4.340 0.036 0.000 0.232 466 L C 1.947 178.602 176.870 -0.359 0.000 1.149 466 L CA 0.655 55.355 54.840 -0.234 0.000 0.872 466 L CB 0.085 42.067 42.059 -0.128 0.000 0.992 466 L HN 0.574 nan 8.230 nan 0.000 0.447 467 Q N -0.899 118.669 119.800 -0.387 0.000 2.135 467 Q HA 0.075 4.437 4.340 0.036 0.000 0.231 467 Q C -0.395 175.142 176.000 -0.773 0.000 0.817 467 Q CA -0.178 55.318 55.803 -0.511 0.000 1.073 467 Q CB 0.810 29.508 28.738 -0.068 0.000 1.176 467 Q HN 0.125 nan 8.270 nan 0.000 0.478 468 D N -0.475 119.515 120.400 -0.683 0.000 2.411 468 D HA 0.039 4.700 4.640 0.036 0.000 0.225 468 D C -0.345 175.709 176.300 -0.411 0.000 1.156 468 D CA -0.301 53.493 54.000 -0.343 0.000 0.874 468 D CB 0.135 40.910 40.800 -0.041 0.000 1.034 468 D HN 0.212 nan 8.370 nan 0.000 0.502 469 W N 2.758 124.175 121.300 0.195 0.000 3.316 469 W HA 0.209 4.891 4.660 0.036 0.000 0.327 469 W C 1.920 178.549 176.519 0.185 0.000 1.232 469 W CA -0.730 56.733 57.345 0.196 0.000 1.805 469 W CB 0.064 29.660 29.460 0.227 0.000 1.090 469 W HN 0.419 nan 8.180 nan 0.000 0.654 470 N N 0.318 119.177 118.700 0.265 0.000 2.176 470 N HA -0.067 4.694 4.740 0.036 0.000 0.187 470 N C 0.078 175.719 175.510 0.219 0.000 1.043 470 N CA 0.993 54.143 53.050 0.167 0.000 0.851 470 N CB -0.020 38.433 38.487 -0.057 0.000 1.018 470 N HN -0.205 nan 8.380 nan 0.000 0.436 471 V N 2.793 122.814 119.914 0.178 0.000 2.259 471 V HA 0.133 4.274 4.120 0.036 0.000 0.267 471 V C -0.037 176.250 176.094 0.321 0.000 1.051 471 V CA -0.624 61.826 62.300 0.250 0.000 0.830 471 V CB 0.153 32.062 31.823 0.145 0.000 1.080 471 V HN 0.393 nan 8.190 nan 0.000 0.467 472 T N 3.639 118.348 114.554 0.259 0.000 2.939 472 T HA 0.081 4.453 4.350 0.036 0.000 0.319 472 T C -1.241 173.489 174.700 0.050 0.000 1.082 472 T CA -0.797 61.426 62.100 0.205 0.000 1.133 472 T CB 0.693 69.686 68.868 0.208 0.000 1.019 472 T HN 0.408 nan 8.240 nan 0.000 0.548 473 P HA -0.150 nan 4.420 nan 0.000 0.219 473 P C 1.490 178.722 177.300 -0.114 0.000 1.146 473 P CA 1.368 64.304 63.100 -0.273 0.000 0.808 473 P CB -0.106 31.549 31.700 -0.076 0.000 0.779 474 E N 0.192 120.388 120.200 -0.007 0.000 2.209 474 E HA -0.245 4.126 4.350 0.036 0.000 0.196 474 E C 1.756 178.404 176.600 0.081 0.000 0.993 474 E CA 0.876 57.312 56.400 0.060 0.000 0.819 474 E CB -0.804 28.936 29.700 0.067 0.000 0.745 474 E HN 0.236 nan 8.360 nan 0.000 0.477 475 Q N 0.665 120.484 119.800 0.031 0.000 2.050 475 Q HA -0.123 4.239 4.340 0.036 0.000 0.202 475 Q C 2.311 178.344 176.000 0.056 0.000 0.980 475 Q CA 1.846 57.671 55.803 0.036 0.000 0.840 475 Q CB -0.319 28.471 28.738 0.085 0.000 0.898 475 Q HN 0.504 nan 8.270 nan 0.000 0.424 476 A N -0.158 122.707 122.820 0.076 0.000 1.898 476 A HA -0.154 4.188 4.320 0.036 0.000 0.214 476 A C 1.992 179.748 177.584 0.287 0.000 1.183 476 A CA 0.977 53.161 52.037 0.246 0.000 0.622 476 A CB -0.819 18.321 19.000 0.234 0.000 0.824 476 A HN 0.380 nan 8.150 nan 0.000 0.444 477 Y N 1.799 122.117 120.300 0.029 0.000 2.097 477 Y HA -0.270 4.301 4.550 0.036 0.000 0.282 477 Y C 2.225 178.125 175.900 -0.000 0.000 1.152 477 Y CA 2.270 60.263 58.100 -0.178 0.000 1.136 477 Y CB -0.291 37.881 38.460 -0.479 0.000 0.975 477 Y HN 0.328 nan 8.280 nan 0.000 0.498 478 N N -0.176 118.545 118.700 0.035 0.000 2.069 478 N HA -0.229 4.533 4.740 0.036 0.000 0.191 478 N C 1.835 177.324 175.510 -0.035 0.000 1.031 478 N CA 1.703 54.727 53.050 -0.042 0.000 0.852 478 N CB -1.086 37.425 38.487 0.039 0.000 1.018 478 N HN 0.439 nan 8.380 nan 0.000 0.423 479 F N 1.168 121.051 119.950 -0.111 0.000 2.134 479 F HA -0.154 4.394 4.527 0.035 0.000 0.299 479 F C 2.407 178.197 175.800 -0.016 0.000 1.097 479 F CA 1.193 59.114 58.000 -0.131 0.000 1.264 479 F CB -0.247 38.549 39.000 -0.341 0.000 1.001 479 F HN 0.187 nan 8.300 nan 0.000 0.479 480 W N 1.815 123.132 121.300 0.029 0.000 2.318 480 W HA -0.256 4.425 4.660 0.035 0.000 0.313 480 W C 1.912 178.314 176.519 -0.195 0.000 1.221 480 W CA 2.045 59.380 57.345 -0.017 0.000 1.266 480 W CB -0.520 28.975 29.460 0.058 0.000 1.150 480 W HN 0.014 nan 8.180 nan 0.000 0.496 481 K N 0.019 120.326 120.400 -0.156 0.000 2.148 481 K HA -0.082 4.259 4.320 0.036 0.000 0.204 481 K C 2.133 178.561 176.600 -0.286 0.000 1.050 481 K CA 1.228 57.344 56.287 -0.285 0.000 0.942 481 K CB -0.375 31.896 32.500 -0.382 0.000 0.724 481 K HN 0.124 nan 8.250 nan 0.000 0.446 482 A N 1.171 123.810 122.820 -0.302 0.000 2.119 482 A HA 0.054 4.396 4.320 0.036 0.000 0.216 482 A C 0.997 178.356 177.584 -0.375 0.000 1.152 482 A CA 0.129 51.984 52.037 -0.303 0.000 0.708 482 A CB -0.174 18.648 19.000 -0.296 0.000 0.805 482 A HN 0.124 nan 8.150 nan 0.000 0.460 483 L N 2.304 123.245 121.223 -0.470 0.000 2.455 483 L HA 0.141 4.502 4.340 0.036 0.000 0.272 483 L C -1.698 174.975 176.870 -0.329 0.000 1.174 483 L CA -1.597 52.954 54.840 -0.483 0.000 0.869 483 L CB 0.355 42.106 42.059 -0.513 0.000 1.130 483 L HN 0.207 nan 8.230 nan 0.000 0.474 484 P HA -0.084 nan 4.420 nan 0.000 0.267 484 P C -0.494 176.745 177.300 -0.102 0.000 1.201 484 P CA -0.254 62.763 63.100 -0.138 0.000 0.775 484 P CB 0.526 32.181 31.700 -0.075 0.000 0.854 485 E N 0.833 120.983 120.200 -0.083 0.000 2.414 485 E HA 0.261 4.633 4.350 0.036 0.000 0.263 485 E C 1.425 178.000 176.600 -0.042 0.000 1.000 485 E CA 1.378 57.733 56.400 -0.074 0.000 0.914 485 E CB -0.695 28.970 29.700 -0.058 0.000 0.948 485 E HN 0.760 nan 8.360 nan 0.000 0.444 486 G N 3.602 112.369 108.800 -0.055 0.000 2.184 486 G HA2 -0.327 3.655 3.960 0.036 0.000 0.264 486 G HA3 -0.327 3.655 3.960 0.036 0.000 0.264 486 G C 0.199 175.074 174.900 -0.041 0.000 0.975 486 G CA 0.451 45.525 45.100 -0.043 0.000 0.642 486 G HN 0.776 nan 8.290 nan 0.000 0.536 487 H N 1.080 120.080 119.070 -0.116 0.000 2.815 487 H HA 0.502 5.080 4.556 0.037 0.000 0.350 487 H C 0.892 176.161 175.328 -0.098 0.000 1.080 487 H CA 0.484 56.475 56.048 -0.094 0.000 1.433 487 H CB 1.051 30.743 29.762 -0.116 0.000 1.432 487 H HN 0.517 nan 8.280 nan 0.000 0.592 488 A N 6.027 128.686 122.820 -0.269 0.000 2.476 488 A HA 0.263 4.605 4.320 0.036 0.000 0.275 488 A C -0.127 177.513 177.584 0.094 0.000 1.133 488 A CA -0.060 51.945 52.037 -0.054 0.000 0.797 488 A CB -0.374 18.634 19.000 0.013 0.000 1.081 488 A HN 0.729 nan 8.150 nan 0.000 0.510 489 K N 2.712 123.059 120.400 -0.088 0.000 2.546 489 K HA 0.728 5.070 4.320 0.036 0.000 0.264 489 K C -1.655 174.820 176.600 -0.207 0.000 0.937 489 K CA -0.916 55.366 56.287 -0.009 0.000 0.833 489 K CB 1.513 33.951 32.500 -0.103 0.000 1.378 489 K HN 0.676 nan 8.250 nan 0.000 0.432 490 H N -0.393 118.921 119.070 0.408 0.000 2.996 490 H HA 0.680 5.257 4.556 0.036 0.000 0.368 490 H C -1.533 174.012 175.328 0.362 0.000 1.185 490 H CA -0.646 55.624 56.048 0.369 0.000 1.160 490 H CB 2.430 32.281 29.762 0.149 0.000 1.820 490 H HN 0.916 nan 8.280 nan 0.000 0.547 491 A N 1.968 124.927 122.820 0.232 0.000 2.414 491 A HA 0.701 5.042 4.320 0.036 0.000 0.306 491 A C -1.700 175.807 177.584 -0.129 0.000 1.054 491 A CA -0.604 51.492 52.037 0.098 0.000 0.724 491 A CB 0.745 19.653 19.000 -0.154 0.000 1.267 491 A HN 0.454 nan 8.150 nan 0.000 0.418 492 F N 2.612 122.616 119.950 0.090 0.000 2.427 492 F HA 0.504 5.052 4.527 0.035 0.000 0.348 492 F C -0.380 175.473 175.800 0.088 0.000 1.125 492 F CA -0.744 57.316 58.000 0.100 0.000 0.989 492 F CB 1.827 40.891 39.000 0.108 0.000 1.165 492 F HN 0.201 nan 8.300 nan 0.000 0.442 493 L N 5.295 126.620 121.223 0.170 0.000 2.319 493 L HA 0.352 4.713 4.340 0.036 0.000 0.281 493 L C 0.157 177.051 176.870 0.039 0.000 1.005 493 L CA -0.658 54.175 54.840 -0.012 0.000 0.828 493 L CB 0.570 42.476 42.059 -0.254 0.000 1.227 493 L HN 0.670 nan 8.230 nan 0.000 0.415 494 H N 2.483 121.590 119.070 0.063 0.000 2.748 494 H HA 0.555 5.132 4.556 0.036 0.000 0.315 494 H C -0.174 175.157 175.328 0.004 0.000 1.429 494 H CA -0.849 55.227 56.048 0.047 0.000 1.444 494 H CB 1.552 31.490 29.762 0.293 0.000 1.827 494 H HN 0.312 nan 8.280 nan 0.000 0.754 495 R N -0.030 120.555 120.500 0.141 0.000 2.359 495 R HA 0.219 4.581 4.340 0.036 0.000 0.231 495 R C 0.867 177.249 176.300 0.137 0.000 0.913 495 R CA 0.181 56.306 56.100 0.042 0.000 1.075 495 R CB 0.163 30.446 30.300 -0.027 0.000 1.087 495 R HN 0.720 nan 8.270 nan 0.000 0.515 496 G N -0.038 109.019 108.800 0.429 0.000 2.563 496 G HA2 0.470 4.452 3.960 0.036 0.000 0.283 496 G HA3 0.470 4.452 3.960 0.036 0.000 0.283 496 G C 0.094 175.115 174.900 0.201 0.000 1.309 496 G CA 0.143 45.469 45.100 0.377 0.000 1.022 496 G HN 0.232 nan 8.290 nan 0.000 0.501 497 A N -1.368 121.559 122.820 0.178 0.000 3.778 497 A HA 0.476 4.818 4.320 0.036 0.000 0.156 497 A C 0.596 178.273 177.584 0.155 0.000 1.681 497 A CA -0.251 51.848 52.037 0.105 0.000 1.240 497 A CB -0.481 18.596 19.000 0.129 0.000 1.750 497 A HN 0.674 nan 8.150 nan 0.000 0.675 498 H N 0.597 119.685 119.070 0.030 0.000 3.775 498 H HA 0.395 4.972 4.556 0.036 0.000 0.200 498 H C -0.105 175.181 175.328 -0.069 0.000 1.655 498 H CA 0.228 56.259 56.048 -0.029 0.000 1.359 498 H CB -1.144 28.621 29.762 0.005 0.000 1.643 498 H HN 0.415 nan 8.280 nan 0.000 0.706 499 I N -3.140 117.374 120.570 -0.093 0.000 3.108 499 I HA 0.412 4.604 4.170 0.036 0.000 0.312 499 I C -0.763 175.179 176.117 -0.292 0.000 1.095 499 I CA -1.470 59.739 61.300 -0.152 0.000 1.000 499 I CB 1.800 39.845 38.000 0.074 0.000 1.229 499 I HN -0.086 nan 8.210 nan 0.000 0.454 500 Y N 1.867 122.081 120.300 -0.144 0.000 2.298 500 Y HA 0.413 4.984 4.550 0.036 0.000 0.329 500 Y C 1.167 176.737 175.900 -0.550 0.000 1.293 500 Y CA -0.645 57.290 58.100 -0.274 0.000 1.388 500 Y CB 1.552 39.955 38.460 -0.095 0.000 1.309 500 Y HN 0.634 nan 8.280 nan 0.000 0.544 501 M N -0.217 118.943 119.600 -0.733 0.000 2.540 501 M HA 0.251 4.753 4.480 0.036 0.000 0.404 501 M C -0.278 175.268 176.300 -1.257 0.000 1.133 501 M CA -0.282 53.985 55.300 -1.722 0.000 0.900 501 M CB 0.436 31.709 32.600 -2.212 0.000 1.540 501 M HN 0.508 nan 8.290 nan 0.000 0.539 502 N N -0.012 118.326 118.700 -0.603 0.000 2.383 502 N HA 0.065 4.826 4.740 0.036 0.000 0.192 502 N C -0.224 175.161 175.510 -0.209 0.000 1.141 502 N CA 0.017 52.905 53.050 -0.270 0.000 0.851 502 N CB 0.230 38.634 38.487 -0.139 0.000 0.976 502 N HN 0.318 nan 8.380 nan 0.000 0.465 503 S N 0.061 115.677 115.700 -0.140 0.000 2.902 503 S HA 0.217 4.708 4.470 0.036 0.000 0.250 503 S C -0.947 173.808 174.600 0.259 0.000 1.046 503 S CA -0.762 57.457 58.200 0.032 0.000 1.069 503 S CB 0.055 63.287 63.200 0.052 0.000 0.967 503 S HN 0.247 nan 8.310 nan 0.000 0.530 504 W N 1.854 123.102 121.300 -0.087 0.000 2.436 504 W HA 0.467 5.149 4.660 0.036 0.000 0.347 504 W C 1.394 177.878 176.519 -0.058 0.000 1.136 504 W CA -1.270 56.038 57.345 -0.062 0.000 1.286 504 W CB 0.426 29.866 29.460 -0.034 0.000 1.253 504 W HN 0.238 nan 8.180 nan 0.000 0.617 505 Q N 0.522 120.405 119.800 0.138 0.000 2.354 505 Q HA -0.099 4.263 4.340 0.036 0.000 0.203 505 Q C 1.636 177.625 176.000 -0.018 0.000 0.933 505 Q CA 1.551 57.373 55.803 0.032 0.000 0.901 505 Q CB 0.213 28.911 28.738 -0.066 0.000 1.007 505 Q HN 0.527 nan 8.270 nan 0.000 0.495 506 S N -0.529 115.206 115.700 0.058 0.000 2.496 506 S HA 0.132 4.623 4.470 0.036 0.000 0.224 506 S C 0.737 175.375 174.600 0.064 0.000 0.996 506 S CA -0.251 57.999 58.200 0.084 0.000 0.927 506 S CB 0.207 63.602 63.200 0.325 0.000 0.774 506 S HN 0.405 nan 8.310 nan 0.000 0.524 507 I N 1.875 122.444 120.570 -0.003 0.000 2.722 507 I HA 0.294 4.485 4.170 0.036 0.000 0.295 507 I C -1.548 174.504 176.117 -0.110 0.000 1.161 507 I CA -0.865 60.306 61.300 -0.214 0.000 1.032 507 I CB 1.933 39.520 38.000 -0.689 0.000 1.244 507 I HN 0.013 nan 8.210 nan 0.000 0.421 508 D N 6.098 126.440 120.400 -0.096 0.000 2.994 508 D HA -0.025 4.637 4.640 0.036 0.000 0.240 508 D C 0.816 177.086 176.300 -0.050 0.000 1.195 508 D CA -0.295 53.669 54.000 -0.060 0.000 0.957 508 D CB -0.039 40.739 40.800 -0.037 0.000 1.105 508 D HN 0.502 nan 8.370 nan 0.000 0.477 509 F N 1.662 121.442 119.950 -0.284 0.000 2.046 509 F HA -0.227 4.322 4.527 0.037 0.000 0.297 509 F C 2.124 177.686 175.800 -0.398 0.000 1.123 509 F CA 1.429 59.185 58.000 -0.408 0.000 1.199 509 F CB -0.289 38.379 39.000 -0.554 0.000 0.972 509 F HN 0.082 nan 8.300 nan 0.000 0.474 510 S N 0.006 115.434 115.700 -0.452 0.000 2.383 510 S HA -0.227 4.264 4.470 0.036 0.000 0.229 510 S C 1.698 175.966 174.600 -0.553 0.000 1.030 510 S CA 1.687 59.444 58.200 -0.739 0.000 1.002 510 S CB -0.419 62.171 63.200 -1.015 0.000 0.829 510 S HN 0.441 nan 8.310 nan 0.000 0.467 511 E N 0.691 120.715 120.200 -0.293 0.000 2.152 511 E HA -0.034 4.338 4.350 0.036 0.000 0.192 511 E C 2.225 178.810 176.600 -0.026 0.000 0.983 511 E CA 1.199 57.562 56.400 -0.061 0.000 0.818 511 E CB -0.472 29.248 29.700 0.033 0.000 0.758 511 E HN 0.353 nan 8.360 nan 0.000 0.467 512 T N 0.986 115.478 114.554 -0.103 0.000 2.770 512 T HA -0.064 4.307 4.350 0.036 0.000 0.263 512 T C 1.647 176.305 174.700 -0.070 0.000 1.039 512 T CA 0.699 62.784 62.100 -0.024 0.000 1.142 512 T CB -0.065 68.807 68.868 0.006 0.000 0.868 512 T HN 0.041 nan 8.240 nan 0.000 0.435 513 I N 2.462 122.819 120.570 -0.356 0.000 2.286 513 I HA -0.124 4.067 4.170 0.036 0.000 0.248 513 I C 2.417 178.489 176.117 -0.076 0.000 1.115 513 I CA 0.886 61.958 61.300 -0.381 0.000 1.392 513 I CB -1.394 36.108 38.000 -0.829 0.000 1.065 513 I HN 0.272 nan 8.210 nan 0.000 0.418 514 N N 1.854 120.592 118.700 0.063 0.000 2.018 514 N HA -0.197 4.564 4.740 0.036 0.000 0.196 514 N C 1.880 177.582 175.510 0.319 0.000 1.043 514 N CA 2.274 55.525 53.050 0.335 0.000 0.856 514 N CB -0.070 38.589 38.487 0.286 0.000 1.042 514 N HN 0.321 nan 8.380 nan 0.000 0.423 515 A N -0.287 122.673 122.820 0.234 0.000 1.908 515 A HA -0.197 4.144 4.320 0.036 0.000 0.218 515 A C 2.319 180.030 177.584 0.211 0.000 1.181 515 A CA 1.399 53.560 52.037 0.206 0.000 0.627 515 A CB -1.262 17.829 19.000 0.152 0.000 0.818 515 A HN 0.580 nan 8.150 nan 0.000 0.445 516 Y N -1.714 118.677 120.300 0.151 0.000 2.242 516 Y HA -0.182 4.390 4.550 0.037 0.000 0.291 516 Y C 2.072 178.141 175.900 0.281 0.000 1.137 516 Y CA 1.720 59.932 58.100 0.187 0.000 1.181 516 Y CB -0.148 38.426 38.460 0.189 0.000 0.989 516 Y HN 0.324 nan 8.280 nan 0.000 0.527 517 F N -0.893 119.168 119.950 0.185 0.000 2.146 517 F HA -0.183 4.365 4.527 0.035 0.000 0.298 517 F C 2.559 178.461 175.800 0.171 0.000 1.096 517 F CA 1.297 59.308 58.000 0.018 0.000 1.275 517 F CB -1.310 37.391 39.000 -0.499 0.000 1.008 517 F HN 0.042 nan 8.300 nan 0.000 0.480 518 V N -1.027 119.152 119.914 0.442 0.000 2.343 518 V HA -0.144 3.997 4.120 0.036 0.000 0.247 518 V C 2.305 178.477 176.094 0.129 0.000 1.051 518 V CA 1.694 64.241 62.300 0.412 0.000 1.036 518 V CB -1.534 30.520 31.823 0.385 0.000 0.654 518 V HN 0.170 nan 8.190 nan 0.000 0.451 519 A N 0.012 122.870 122.820 0.062 0.000 1.898 519 A HA -0.086 4.256 4.320 0.036 0.000 0.216 519 A C 2.291 179.851 177.584 -0.041 0.000 1.181 519 A CA 1.870 53.876 52.037 -0.050 0.000 0.620 519 A CB -0.516 18.413 19.000 -0.119 0.000 0.819 519 A HN 0.488 nan 8.150 nan 0.000 0.442 520 K N -0.475 119.930 120.400 0.008 0.000 2.137 520 K HA 0.205 4.547 4.320 0.036 0.000 0.202 520 K C 1.686 178.279 176.600 -0.011 0.000 1.052 520 K CA 0.804 57.094 56.287 0.005 0.000 0.961 520 K CB -0.300 32.239 32.500 0.065 0.000 0.741 520 K HN 0.540 nan 8.250 nan 0.000 0.452 521 L N 0.107 121.343 121.223 0.021 0.000 2.477 521 L HA 0.142 4.504 4.340 0.036 0.000 0.220 521 L C 1.484 178.330 176.870 -0.039 0.000 1.106 521 L CA 0.271 55.114 54.840 0.005 0.000 0.851 521 L CB 0.093 42.214 42.059 0.103 0.000 0.994 521 L HN -0.047 nan 8.230 nan 0.000 0.462 522 L N -0.946 120.251 121.223 -0.044 0.000 2.857 522 L HA 0.207 4.569 4.340 0.036 0.000 0.249 522 L C -0.285 176.515 176.870 -0.117 0.000 1.172 522 L CA -0.164 54.603 54.840 -0.122 0.000 0.980 522 L CB 0.097 42.053 42.059 -0.172 0.000 1.299 522 L HN 0.079 nan 8.230 nan 0.000 0.535 523 D N 1.555 121.902 120.400 -0.087 0.000 2.705 523 D HA -0.175 4.487 4.640 0.036 0.000 0.240 523 D C 0.267 176.505 176.300 -0.104 0.000 1.137 523 D CA 0.840 54.789 54.000 -0.085 0.000 0.677 523 D CB -0.183 40.571 40.800 -0.078 0.000 1.049 523 D HN 0.319 nan 8.370 nan 0.000 0.427 524 R N 0.029 120.458 120.500 -0.119 0.000 2.919 524 R HA 0.501 4.863 4.340 0.036 0.000 0.260 524 R C -0.346 175.882 176.300 -0.121 0.000 1.067 524 R CA -0.986 55.026 56.100 -0.145 0.000 1.003 524 R CB 0.962 31.127 30.300 -0.225 0.000 1.192 524 R HN -0.003 nan 8.270 nan 0.000 0.488 525 D N 1.530 121.860 120.400 -0.117 0.000 2.382 525 D HA 0.032 4.693 4.640 0.036 0.000 0.245 525 D C -0.463 175.772 176.300 -0.109 0.000 1.120 525 D CA 0.116 54.057 54.000 -0.098 0.000 0.890 525 D CB 0.995 41.747 40.800 -0.080 0.000 1.201 525 D HN 0.098 nan 8.370 nan 0.000 0.433 526 L N 3.343 124.496 121.223 -0.115 0.000 2.288 526 L HA 0.183 4.544 4.340 0.036 0.000 0.283 526 L C 0.277 177.089 176.870 -0.097 0.000 1.072 526 L CA -0.083 54.667 54.840 -0.150 0.000 0.862 526 L CB -0.250 41.664 42.059 -0.242 0.000 1.245 526 L HN 0.285 nan 8.230 nan 0.000 0.432 527 N N 3.395 122.055 118.700 -0.066 0.000 2.412 527 N HA 0.013 4.774 4.740 0.036 0.000 0.184 527 N C 0.198 175.705 175.510 -0.005 0.000 1.101 527 N CA -0.274 52.759 53.050 -0.028 0.000 0.881 527 N CB 0.366 38.843 38.487 -0.017 0.000 0.969 527 N HN 0.390 nan 8.380 nan 0.000 0.459 528 L N 1.559 122.772 121.223 -0.017 0.000 2.410 528 L HA 0.143 4.505 4.340 0.036 0.000 0.273 528 L C -0.237 176.649 176.870 0.028 0.000 1.144 528 L CA 0.209 55.063 54.840 0.023 0.000 0.863 528 L CB 0.338 42.415 42.059 0.031 0.000 1.140 528 L HN 0.068 nan 8.230 nan 0.000 0.463 529 N N 6.203 124.942 118.700 0.065 0.000 2.621 529 N HA 0.276 5.037 4.740 0.036 0.000 0.237 529 N C -1.358 174.219 175.510 0.112 0.000 0.997 529 N CA -0.352 52.749 53.050 0.085 0.000 0.918 529 N CB 0.502 39.038 38.487 0.081 0.000 1.122 529 N HN 0.601 nan 8.380 nan 0.000 0.510 530 L N 4.343 125.615 121.223 0.080 0.000 2.325 530 L HA 0.544 4.906 4.340 0.036 0.000 0.279 530 L C -1.664 175.322 176.870 0.193 0.000 1.054 530 L CA -1.627 53.235 54.840 0.037 0.000 0.804 530 L CB 1.629 43.514 42.059 -0.291 0.000 1.200 530 L HN 0.333 nan 8.230 nan 0.000 0.436 531 P HA 0.212 nan 4.420 nan 0.000 0.274 531 P C -2.419 175.082 177.300 0.334 0.000 1.246 531 P CA -1.529 61.710 63.100 0.231 0.000 0.795 531 P CB 0.477 32.279 31.700 0.170 0.000 1.006 532 P HA -0.137 nan 4.420 nan 0.000 0.215 532 P C 0.451 177.918 177.300 0.279 0.000 1.157 532 P CA 1.439 64.738 63.100 0.331 0.000 0.874 532 P CB 0.075 31.976 31.700 0.334 0.000 0.790 533 V N -1.602 118.364 119.914 0.086 0.000 2.686 533 V HA 0.477 4.618 4.120 0.036 0.000 0.306 533 V C -1.294 174.713 176.094 -0.146 0.000 1.065 533 V CA -1.198 61.034 62.300 -0.114 0.000 0.894 533 V CB 1.717 33.397 31.823 -0.238 0.000 1.004 533 V HN -0.301 nan 8.190 nan 0.000 0.424 534 I N 7.497 127.887 120.570 -0.301 0.000 2.307 534 I HA 0.538 4.729 4.170 0.036 0.000 0.289 534 I C -0.357 175.785 176.117 0.041 0.000 1.021 534 I CA -0.029 61.111 61.300 -0.265 0.000 1.224 534 I CB 1.303 38.855 38.000 -0.746 0.000 1.376 534 I HN 0.646 nan 8.210 nan 0.000 0.470 535 L N 6.464 127.757 121.223 0.117 0.000 2.346 535 L HA 0.511 4.873 4.340 0.036 0.000 0.276 535 L C -0.261 176.568 176.870 -0.068 0.000 1.006 535 L CA -0.240 54.615 54.840 0.026 0.000 0.817 535 L CB 1.636 43.645 42.059 -0.082 0.000 1.272 535 L HN 0.628 nan 8.230 nan 0.000 0.421 536 Q N 3.712 123.197 119.800 -0.525 0.000 2.322 536 Q HA 0.237 4.599 4.340 0.036 0.000 0.256 536 Q C -0.750 174.944 176.000 -0.510 0.000 0.960 536 Q CA -0.313 54.857 55.803 -1.054 0.000 0.934 536 Q CB 0.765 28.577 28.738 -1.543 0.000 1.200 536 Q HN 0.665 nan 8.270 nan 0.000 0.435 537 E N 3.357 123.317 120.200 -0.401 0.000 2.360 537 E HA 0.004 4.376 4.350 0.036 0.000 0.269 537 E C -0.091 176.339 176.600 -0.282 0.000 1.022 537 E CA -0.232 56.002 56.400 -0.277 0.000 0.887 537 E CB 0.599 30.168 29.700 -0.219 0.000 0.990 537 E HN 0.663 nan 8.360 nan 0.000 0.426 538 N N 0.827 119.352 118.700 -0.292 0.000 2.424 538 N HA -0.048 4.714 4.740 0.036 0.000 0.257 538 N C -0.271 175.086 175.510 -0.255 0.000 1.250 538 N CA -0.147 52.719 53.050 -0.306 0.000 0.946 538 N CB 0.919 39.074 38.487 -0.553 0.000 1.175 538 N HN 0.389 nan 8.380 nan 0.000 0.477 539 S N -2.149 113.438 115.700 -0.189 0.000 3.402 539 S HA -0.211 4.281 4.470 0.036 0.000 0.329 539 S C -0.377 174.145 174.600 -0.130 0.000 1.194 539 S CA 1.208 59.329 58.200 -0.133 0.000 0.951 539 S CB -1.194 61.935 63.200 -0.118 0.000 0.975 539 S HN 0.779 nan 8.310 nan 0.000 0.574 540 K N 0.840 121.150 120.400 -0.149 0.000 2.426 540 K HA 0.558 4.900 4.320 0.036 0.000 0.251 540 K C -1.151 175.368 176.600 -0.135 0.000 0.941 540 K CA -0.751 55.454 56.287 -0.138 0.000 0.808 540 K CB 1.390 33.797 32.500 -0.156 0.000 1.265 540 K HN 0.038 nan 8.250 nan 0.000 0.432 541 D N 2.247 122.581 120.400 -0.110 0.000 2.347 541 D HA 0.139 4.801 4.640 0.036 0.000 0.235 541 D C -0.625 175.617 176.300 -0.096 0.000 1.149 541 D CA 0.513 54.449 54.000 -0.107 0.000 0.850 541 D CB 0.470 41.216 40.800 -0.090 0.000 1.061 541 D HN 0.496 nan 8.370 nan 0.000 0.487 542 Q N 0.862 120.603 119.800 -0.098 0.000 2.453 542 Q HA -0.155 4.206 4.340 0.036 0.000 0.294 542 Q C -0.873 175.159 176.000 0.054 0.000 1.295 542 Q CA 0.341 56.133 55.803 -0.018 0.000 0.853 542 Q CB -1.408 27.297 28.738 -0.055 0.000 1.193 542 Q HN 0.246 nan 8.270 nan 0.000 0.461 543 V N 0.185 120.072 119.914 -0.046 0.000 2.417 543 V HA 0.521 4.663 4.120 0.036 0.000 0.291 543 V C -0.175 175.884 176.094 -0.059 0.000 1.024 543 V CA -0.450 61.855 62.300 0.007 0.000 0.861 543 V CB 0.834 32.622 31.823 -0.058 0.000 0.985 543 V HN 0.268 nan 8.190 nan 0.000 0.436 544 W N 2.342 123.703 121.300 0.101 0.000 2.761 544 W HA 0.759 5.441 4.660 0.037 0.000 0.340 544 W C 0.316 176.951 176.519 0.193 0.000 1.072 544 W CA -0.285 57.167 57.345 0.177 0.000 1.215 544 W CB 2.159 31.823 29.460 0.341 0.000 1.420 544 W HN 0.556 nan 8.180 nan 0.000 0.519 545 T N 2.317 117.104 114.554 0.388 0.000 2.696 545 T HA 0.775 5.147 4.350 0.036 0.000 0.291 545 T C -1.002 173.864 174.700 0.276 0.000 1.095 545 T CA -0.926 61.344 62.100 0.283 0.000 1.026 545 T CB 0.949 69.888 68.868 0.118 0.000 1.390 545 T HN 0.387 nan 8.240 nan 0.000 0.513 546 M N 1.848 121.570 119.600 0.204 0.000 2.465 546 M HA 0.656 5.158 4.480 0.036 0.000 0.316 546 M C -1.134 175.223 176.300 0.095 0.000 1.121 546 M CA -0.982 54.409 55.300 0.151 0.000 0.934 546 M CB 2.300 35.025 32.600 0.208 0.000 1.692 546 M HN 0.380 nan 8.290 nan 0.000 0.444 547 M N 1.731 121.369 119.600 0.064 0.000 2.644 547 M HA 0.394 4.896 4.480 0.036 0.000 0.304 547 M C -0.300 176.059 176.300 0.099 0.000 1.215 547 M CA -0.461 54.878 55.300 0.065 0.000 0.871 547 M CB 2.194 34.810 32.600 0.026 0.000 1.740 547 M HN 0.765 nan 8.290 nan 0.000 0.464 548 N N 0.120 118.891 118.700 0.117 0.000 2.416 548 N HA -0.001 4.760 4.740 0.036 0.000 0.177 548 N C -0.617 175.024 175.510 0.218 0.000 1.036 548 N CA 0.685 53.825 53.050 0.150 0.000 0.901 548 N CB 0.283 38.845 38.487 0.125 0.000 0.976 548 N HN 0.518 nan 8.380 nan 0.000 0.444 549 D N -1.767 118.766 120.400 0.222 0.000 2.671 549 D HA 0.221 4.882 4.640 0.036 0.000 0.273 549 D C -1.913 174.557 176.300 0.284 0.000 1.264 549 D CA -0.728 53.482 54.000 0.349 0.000 0.788 549 D CB 0.852 41.858 40.800 0.344 0.000 1.324 549 D HN -0.088 nan 8.370 nan 0.000 0.424 550 F N 1.507 121.501 119.950 0.074 0.000 2.325 550 F HA 0.533 5.082 4.527 0.036 0.000 0.369 550 F C 0.254 176.188 175.800 0.224 0.000 1.095 550 F CA 0.115 58.064 58.000 -0.085 0.000 1.082 550 F CB 0.707 39.327 39.000 -0.633 0.000 1.289 550 F HN 0.556 nan 8.300 nan 0.000 0.462 551 G N 4.335 113.408 108.800 0.453 0.000 3.224 551 G HA2 0.181 4.163 3.960 0.036 0.000 0.684 551 G HA3 0.181 4.163 3.960 0.036 0.000 0.684 551 G C -1.100 173.935 174.900 0.226 0.000 1.180 551 G CA -0.509 44.780 45.100 0.315 0.000 1.099 551 G HN 1.050 nan 8.290 nan 0.000 0.476 552 A N 1.853 124.768 122.820 0.159 0.000 2.286 552 A HA 0.783 5.125 4.320 0.036 0.000 0.286 552 A C 1.125 178.762 177.584 0.088 0.000 1.097 552 A CA 0.085 52.193 52.037 0.118 0.000 0.821 552 A CB 0.756 19.813 19.000 0.094 0.000 1.076 552 A HN 0.789 nan 8.150 nan 0.000 0.490 553 N N -0.862 117.881 118.700 0.073 0.000 2.368 553 N HA -0.003 4.758 4.740 0.036 0.000 0.176 553 N C 0.000 175.532 175.510 0.037 0.000 1.021 553 N CA 0.598 53.679 53.050 0.053 0.000 0.888 553 N CB 0.094 38.610 38.487 0.048 0.000 0.995 553 N HN 0.634 nan 8.380 nan 0.000 0.437 554 T N 1.393 115.969 114.554 0.037 0.000 2.913 554 T HA 0.175 4.547 4.350 0.036 0.000 0.297 554 T C -0.179 174.531 174.700 0.017 0.000 1.029 554 T CA -0.090 62.025 62.100 0.025 0.000 1.104 554 T CB 1.106 69.990 68.868 0.026 0.000 0.964 554 T HN 0.213 nan 8.240 nan 0.000 0.532 555 Q N 1.333 121.137 119.800 0.007 0.000 2.386 555 Q HA 0.637 4.999 4.340 0.036 0.000 0.274 555 Q C -1.346 174.648 176.000 -0.010 0.000 1.011 555 Q CA -1.046 54.755 55.803 -0.003 0.000 0.867 555 Q CB 1.429 30.162 28.738 -0.008 0.000 1.409 555 Q HN 0.766 nan 8.270 nan 0.000 0.395 556 I N -1.586 118.974 120.570 -0.017 0.000 2.750 556 I HA 0.658 4.850 4.170 0.036 0.000 0.308 556 I C -1.139 174.960 176.117 -0.030 0.000 1.016 556 I CA -1.165 60.122 61.300 -0.021 0.000 1.098 556 I CB 2.094 40.081 38.000 -0.022 0.000 1.279 556 I HN 0.518 nan 8.210 nan 0.000 0.454 557 K N 4.550 124.931 120.400 -0.032 0.000 2.376 557 K HA 0.637 4.979 4.320 0.036 0.000 0.257 557 K C -1.659 174.916 176.600 -0.041 0.000 0.939 557 K CA -0.643 55.621 56.287 -0.039 0.000 0.809 557 K CB 2.313 34.791 32.500 -0.036 0.000 1.121 557 K HN 0.382 nan 8.250 nan 0.000 0.425 558 L N 4.587 125.781 121.223 -0.048 0.000 2.325 558 L HA 0.425 4.787 4.340 0.036 0.000 0.281 558 L C -2.240 174.598 176.870 -0.053 0.000 1.004 558 L CA -1.903 52.908 54.840 -0.049 0.000 0.823 558 L CB 1.212 43.240 42.059 -0.050 0.000 1.236 558 L HN 0.473 nan 8.230 nan 0.000 0.415 559 P HA 0.195 nan 4.420 nan 0.000 0.278 559 P C 0.329 177.595 177.300 -0.058 0.000 1.238 559 P CA -0.336 62.730 63.100 -0.057 0.000 0.794 559 P CB 1.426 33.091 31.700 -0.058 0.000 0.955 560 L N 0.919 122.106 121.223 -0.059 0.000 2.375 560 L HA 0.180 4.541 4.340 0.036 0.000 0.215 560 L C 1.593 178.428 176.870 -0.059 0.000 1.108 560 L CA 0.412 55.219 54.840 -0.054 0.000 0.830 560 L CB -0.605 41.428 42.059 -0.043 0.000 0.959 560 L HN 0.474 nan 8.230 nan 0.000 0.457 561 G N -0.178 108.577 108.800 -0.074 0.000 2.370 561 G HA2 0.163 4.144 3.960 0.036 0.000 0.272 561 G HA3 0.163 4.144 3.960 0.036 0.000 0.272 561 G C 0.397 175.252 174.900 -0.075 0.000 1.208 561 G CA -0.226 44.820 45.100 -0.090 0.000 0.856 561 G HN -0.047 nan 8.290 nan 0.000 0.500 562 K N -0.046 120.313 120.400 -0.067 0.000 2.379 562 K HA 0.175 4.516 4.320 0.036 0.000 0.194 562 K C 1.276 177.843 176.600 -0.056 0.000 1.031 562 K CA 0.744 56.999 56.287 -0.053 0.000 1.037 562 K CB 0.398 32.874 32.500 -0.041 0.000 0.824 562 K HN 0.724 nan 8.250 nan 0.000 0.516 563 T N -5.796 108.713 114.554 -0.074 0.000 2.754 563 T HA 0.560 4.931 4.350 0.036 0.000 0.296 563 T C 0.618 175.254 174.700 -0.107 0.000 1.205 563 T CA -0.463 61.593 62.100 -0.075 0.000 1.009 563 T CB 1.302 70.133 68.868 -0.061 0.000 1.368 563 T HN -0.202 nan 8.240 nan 0.000 0.509 564 A N -0.093 122.668 122.820 -0.099 0.000 2.119 564 A HA 0.464 4.805 4.320 0.036 0.000 0.216 564 A C 0.928 178.408 177.584 -0.173 0.000 1.152 564 A CA 0.472 52.436 52.037 -0.122 0.000 0.708 564 A CB -0.268 18.681 19.000 -0.085 0.000 0.805 564 A HN 0.806 nan 8.150 nan 0.000 0.460 565 V N 0.849 120.668 119.914 -0.158 0.000 2.271 565 V HA 0.351 4.492 4.120 0.036 0.000 0.259 565 V C -0.122 175.836 176.094 -0.226 0.000 1.030 565 V CA -0.159 62.028 62.300 -0.187 0.000 0.957 565 V CB 0.316 32.116 31.823 -0.038 0.000 1.186 565 V HN 0.256 nan 8.190 nan 0.000 0.471 566 S N 3.188 118.642 115.700 -0.410 0.000 2.640 566 S HA 0.801 5.293 4.470 0.036 0.000 0.320 566 S C -1.013 173.325 174.600 -0.437 0.000 1.097 566 S CA -0.259 57.769 58.200 -0.287 0.000 1.092 566 S CB 0.471 63.563 63.200 -0.179 0.000 0.988 566 S HN 0.365 nan 8.310 nan 0.000 0.470 567 F N 2.443 122.413 119.950 0.034 0.000 2.561 567 F HA 0.838 5.386 4.527 0.036 0.000 0.321 567 F C 0.372 176.219 175.800 0.078 0.000 1.065 567 F CA -0.731 57.314 58.000 0.074 0.000 0.934 567 F CB 2.233 41.293 39.000 0.100 0.000 1.215 567 F HN 0.651 nan 8.300 nan 0.000 0.471 568 A N 2.379 125.388 122.820 0.314 0.000 2.520 568 A HA 0.780 5.121 4.320 0.036 0.000 0.298 568 A C -1.494 176.214 177.584 0.207 0.000 1.051 568 A CA -0.659 51.511 52.037 0.220 0.000 0.690 568 A CB 1.933 21.043 19.000 0.184 0.000 1.281 568 A HN 0.767 nan 8.150 nan 0.000 0.402 569 Q N 0.090 119.991 119.800 0.168 0.000 2.511 569 Q HA 0.895 5.256 4.340 0.036 0.000 0.289 569 Q C -1.228 174.865 176.000 0.155 0.000 1.021 569 Q CA -0.894 54.946 55.803 0.062 0.000 0.785 569 Q CB 2.066 30.793 28.738 -0.017 0.000 1.472 569 Q HN 1.454 nan 8.270 nan 0.000 0.411 570 F N -2.044 117.946 119.950 0.067 0.000 2.719 570 F HA 0.592 5.141 4.527 0.036 0.000 0.309 570 F C -1.672 174.152 175.800 0.040 0.000 1.138 570 F CA -1.119 56.899 58.000 0.030 0.000 0.943 570 F CB 1.078 40.084 39.000 0.011 0.000 1.304 570 F HN 0.402 nan 8.300 nan 0.000 0.445 571 D N 0.690 121.204 120.400 0.191 0.000 2.388 571 D HA 0.193 4.854 4.640 0.036 0.000 0.254 571 D C 0.046 176.455 176.300 0.181 0.000 1.111 571 D CA -0.115 53.939 54.000 0.090 0.000 0.993 571 D CB 1.698 42.498 40.800 0.001 0.000 1.118 571 D HN 0.810 nan 8.370 nan 0.000 0.502 572 N N -0.291 118.487 118.700 0.131 0.000 2.454 572 N HA -0.100 4.661 4.740 0.036 0.000 0.177 572 N C -0.346 175.232 175.510 0.113 0.000 1.049 572 N CA -0.062 53.089 53.050 0.168 0.000 0.887 572 N CB 0.233 38.841 38.487 0.201 0.000 1.095 572 N HN 0.425 nan 8.380 nan 0.000 0.446 573 N N -0.616 118.105 118.700 0.035 0.000 2.499 573 N HA 0.157 4.919 4.740 0.036 0.000 0.281 573 N C -1.298 174.204 175.510 -0.014 0.000 1.098 573 N CA -0.421 52.654 53.050 0.041 0.000 0.979 573 N CB 0.572 39.055 38.487 -0.007 0.000 1.121 573 N HN 0.042 nan 8.380 nan 0.000 0.466 574 Y N -0.494 119.894 120.300 0.147 0.000 2.602 574 Y HA 0.257 4.828 4.550 0.036 0.000 0.330 574 Y C 0.368 176.317 175.900 0.082 0.000 1.114 574 Y CA -0.995 57.210 58.100 0.174 0.000 1.182 574 Y CB 0.825 39.474 38.460 0.315 0.000 1.305 574 Y HN 0.581 nan 8.280 nan 0.000 0.502 575 D N -0.091 120.456 120.400 0.245 0.000 2.382 575 D HA -0.099 4.563 4.640 0.036 0.000 0.240 575 D C 0.039 176.423 176.300 0.140 0.000 1.146 575 D CA 0.035 54.111 54.000 0.127 0.000 0.897 575 D CB 1.090 41.939 40.800 0.082 0.000 1.197 575 D HN 0.600 nan 8.370 nan 0.000 0.432 576 D N 0.355 120.808 120.400 0.088 0.000 2.218 576 D HA -0.175 4.486 4.640 0.036 0.000 0.204 576 D C 1.534 177.893 176.300 0.099 0.000 0.976 576 D CA 1.138 55.202 54.000 0.106 0.000 0.853 576 D CB 0.283 41.119 40.800 0.060 0.000 0.939 576 D HN 0.597 nan 8.370 nan 0.000 0.481 577 E N 0.085 120.309 120.200 0.041 0.000 2.046 577 E HA -0.081 4.291 4.350 0.036 0.000 0.190 577 E C 1.861 178.407 176.600 -0.090 0.000 0.982 577 E CA 1.290 57.682 56.400 -0.014 0.000 0.800 577 E CB -0.134 29.552 29.700 -0.023 0.000 0.756 577 E HN -0.012 nan 8.360 nan 0.000 0.449 578 T N 0.204 114.686 114.554 -0.120 0.000 2.904 578 T HA -0.067 4.305 4.350 0.036 0.000 0.267 578 T C 1.353 175.734 174.700 -0.532 0.000 1.059 578 T CA 0.971 62.841 62.100 -0.384 0.000 1.137 578 T CB -0.439 68.239 68.868 -0.315 0.000 0.879 578 T HN 0.203 nan 8.240 nan 0.000 0.467 579 F N 2.103 121.871 119.950 -0.303 0.000 2.171 579 F HA 0.005 4.553 4.527 0.036 0.000 0.300 579 F C 1.997 177.673 175.800 -0.206 0.000 1.090 579 F CA 1.170 59.047 58.000 -0.206 0.000 1.293 579 F CB -0.079 38.965 39.000 0.073 0.000 1.013 579 F HN -0.005 nan 8.300 nan 0.000 0.486 580 K N 0.174 120.521 120.400 -0.089 0.000 2.305 580 K HA -0.086 4.255 4.320 0.036 0.000 0.199 580 K C 1.884 178.362 176.600 -0.204 0.000 1.047 580 K CA 1.105 57.316 56.287 -0.127 0.000 0.976 580 K CB -0.046 32.457 32.500 0.004 0.000 0.765 580 K HN 0.354 nan 8.250 nan 0.000 0.474 581 K N -0.440 119.801 120.400 -0.264 0.000 2.314 581 K HA -0.032 4.309 4.320 0.036 0.000 0.198 581 K C 1.181 177.657 176.600 -0.208 0.000 1.045 581 K CA 0.764 56.920 56.287 -0.217 0.000 0.988 581 K CB 0.042 32.417 32.500 -0.209 0.000 0.783 581 K HN -0.051 nan 8.250 nan 0.000 0.484 582 Y N 1.882 121.826 120.300 -0.593 0.000 2.365 582 Y HA 0.121 4.692 4.550 0.036 0.000 0.293 582 Y C 2.305 177.704 175.900 -0.835 0.000 1.119 582 Y CA 0.043 57.593 58.100 -0.917 0.000 1.203 582 Y CB -0.162 37.191 38.460 -1.845 0.000 1.026 582 Y HN 0.091 nan 8.280 nan 0.000 0.549 583 S N 0.122 115.495 115.700 -0.545 0.000 2.428 583 S HA -0.121 4.371 4.470 0.036 0.000 0.230 583 S C 1.923 176.475 174.600 -0.079 0.000 1.014 583 S CA 1.159 59.242 58.200 -0.195 0.000 0.957 583 S CB -0.107 62.958 63.200 -0.225 0.000 0.784 583 S HN 0.609 nan 8.310 nan 0.000 0.499 584 K N 0.735 121.067 120.400 -0.113 0.000 2.243 584 K HA 0.067 4.409 4.320 0.036 0.000 0.201 584 K C -0.118 176.438 176.600 -0.075 0.000 1.051 584 K CA 1.112 57.358 56.287 -0.069 0.000 0.970 584 K CB 0.174 32.629 32.500 -0.076 0.000 0.755 584 K HN 0.067 nan 8.250 nan 0.000 0.465 585 D N 0.380 120.719 120.400 -0.101 0.000 2.328 585 D HA 0.066 4.727 4.640 0.036 0.000 0.243 585 D C 0.119 176.318 176.300 -0.168 0.000 1.324 585 D CA -0.870 53.021 54.000 -0.181 0.000 0.966 585 D CB 0.476 41.171 40.800 -0.175 0.000 1.324 585 D HN 0.137 nan 8.370 nan 0.000 0.549 586 F N 2.105 122.018 119.950 -0.062 0.000 2.494 586 F HA 0.039 4.588 4.527 0.036 0.000 0.298 586 F C 1.363 177.155 175.800 -0.014 0.000 1.106 586 F CA 0.449 58.435 58.000 -0.023 0.000 1.452 586 F CB -0.583 38.416 39.000 -0.001 0.000 1.085 586 F HN 0.139 nan 8.300 nan 0.000 0.569 587 N N 1.512 119.956 118.700 -0.426 0.000 2.270 587 N HA -0.108 4.653 4.740 0.036 0.000 0.181 587 N C 2.272 177.683 175.510 -0.164 0.000 1.016 587 N CA 1.851 54.742 53.050 -0.264 0.000 0.870 587 N CB -0.220 38.050 38.487 -0.361 0.000 0.979 587 N HN 0.499 nan 8.380 nan 0.000 0.431 588 V N -0.882 118.950 119.914 -0.137 0.000 2.548 588 V HA -0.088 4.054 4.120 0.036 0.000 0.249 588 V C 2.034 178.027 176.094 -0.168 0.000 1.055 588 V CA 1.025 63.274 62.300 -0.084 0.000 1.065 588 V CB -1.146 30.681 31.823 0.006 0.000 0.681 588 V HN 0.100 nan 8.190 nan 0.000 0.462 589 F N 1.978 121.644 119.950 -0.474 0.000 2.113 589 F HA -0.033 4.516 4.527 0.036 0.000 0.297 589 F C 2.374 177.802 175.800 -0.620 0.000 1.103 589 F CA 2.143 59.561 58.000 -0.969 0.000 1.248 589 F CB -0.257 38.137 39.000 -1.010 0.000 0.999 589 F HN 0.011 nan 8.300 nan 0.000 0.475 590 K N 0.320 120.342 120.400 -0.632 0.000 2.063 590 K HA -0.194 4.148 4.320 0.036 0.000 0.208 590 K C 2.207 178.183 176.600 -1.041 0.000 1.048 590 K CA 1.313 57.009 56.287 -0.985 0.000 0.928 590 K CB -0.271 31.881 32.500 -0.581 0.000 0.713 590 K HN 0.133 nan 8.250 nan 0.000 0.442 591 K N 1.336 121.426 120.400 -0.517 0.000 2.009 591 K HA -0.167 4.175 4.320 0.036 0.000 0.210 591 K C 1.629 178.085 176.600 -0.240 0.000 1.049 591 K CA 1.665 57.810 56.287 -0.237 0.000 0.929 591 K CB -0.243 32.200 32.500 -0.095 0.000 0.714 591 K HN 0.141 nan 8.250 nan 0.000 0.440 592 D N 0.824 121.042 120.400 -0.304 0.000 2.117 592 D HA -0.163 4.499 4.640 0.036 0.000 0.198 592 D C 1.966 178.065 176.300 -0.334 0.000 0.982 592 D CA 0.570 54.440 54.000 -0.216 0.000 0.828 592 D CB -0.250 40.492 40.800 -0.098 0.000 0.967 592 D HN 0.055 nan 8.370 nan 0.000 0.464 593 L N 0.376 121.188 121.223 -0.685 0.000 1.990 593 L HA -0.173 4.188 4.340 0.036 0.000 0.213 593 L C 2.248 178.906 176.870 -0.354 0.000 1.072 593 L CA 1.649 56.052 54.840 -0.728 0.000 0.755 593 L CB -0.891 40.395 42.059 -1.289 0.000 0.889 593 L HN 0.026 nan 8.230 nan 0.000 0.432 594 F N -0.459 119.222 119.950 -0.449 0.000 2.216 594 F HA -0.156 4.392 4.527 0.036 0.000 0.300 594 F C 1.864 177.462 175.800 -0.338 0.000 1.085 594 F CA 0.702 58.424 58.000 -0.464 0.000 1.326 594 F CB -0.131 38.488 39.000 -0.635 0.000 1.027 594 F HN 0.228 nan 8.300 nan 0.000 0.497 595 E N 0.302 120.492 120.200 -0.016 0.000 2.419 595 E HA -0.033 4.338 4.350 0.036 0.000 0.190 595 E C -0.268 176.316 176.600 -0.026 0.000 1.040 595 E CA -0.281 56.143 56.400 0.040 0.000 0.900 595 E CB -0.235 29.531 29.700 0.110 0.000 1.054 595 E HN 0.154 nan 8.360 nan 0.000 0.462 596 N N 1.923 120.564 118.700 -0.098 0.000 2.667 596 N HA -0.232 4.530 4.740 0.036 0.000 0.263 596 N C -0.162 175.327 175.510 -0.035 0.000 1.038 596 N CA 0.779 53.773 53.050 -0.093 0.000 0.749 596 N CB -0.659 37.768 38.487 -0.101 0.000 0.892 596 N HN 0.212 nan 8.380 nan 0.000 0.546 597 K N -0.932 119.452 120.400 -0.026 0.000 2.564 597 K HA 0.489 4.831 4.320 0.036 0.000 0.201 597 K C -0.303 176.364 176.600 0.113 0.000 1.086 597 K CA 0.287 56.597 56.287 0.038 0.000 1.062 597 K CB 0.298 32.823 32.500 0.042 0.000 0.849 597 K HN 0.396 nan 8.250 nan 0.000 0.529 598 A N 0.302 123.181 122.820 0.098 0.000 2.475 598 A HA 0.536 4.878 4.320 0.036 0.000 0.281 598 A C -1.243 176.454 177.584 0.189 0.000 1.263 598 A CA -0.870 51.343 52.037 0.294 0.000 0.776 598 A CB 0.636 19.804 19.000 0.280 0.000 1.347 598 A HN 0.232 nan 8.150 nan 0.000 0.443 599 N N 2.244 121.081 118.700 0.228 0.000 2.400 599 N HA 0.327 5.089 4.740 0.036 0.000 0.267 599 N C -0.338 175.127 175.510 -0.074 0.000 1.208 599 N CA 0.362 53.424 53.050 0.020 0.000 0.951 599 N CB -0.073 38.275 38.487 -0.232 0.000 1.227 599 N HN 0.691 nan 8.380 nan 0.000 0.488 600 E N -0.226 119.878 120.200 -0.160 0.000 2.429 600 E HA 0.675 5.046 4.350 0.036 0.000 0.280 600 E C -1.825 174.637 176.600 -0.229 0.000 1.068 600 E CA -1.322 54.807 56.400 -0.452 0.000 0.837 600 E CB 0.885 30.408 29.700 -0.295 0.000 1.357 600 E HN 0.208 nan 8.360 nan 0.000 0.455 601 A N 1.347 124.022 122.820 -0.241 0.000 2.291 601 A HA 0.581 4.922 4.320 0.036 0.000 0.311 601 A C -0.909 176.648 177.584 -0.045 0.000 1.224 601 A CA -0.649 51.398 52.037 0.017 0.000 0.821 601 A CB 1.183 20.310 19.000 0.213 0.000 1.172 601 A HN 0.296 nan 8.150 nan 0.000 0.494 602 V N 4.210 124.093 119.914 -0.052 0.000 2.435 602 V HA 0.457 4.598 4.120 0.036 0.000 0.290 602 V C -0.553 175.491 176.094 -0.083 0.000 1.030 602 V CA -0.478 61.762 62.300 -0.100 0.000 0.881 602 V CB 1.517 33.251 31.823 -0.149 0.000 0.983 602 V HN 0.701 nan 8.190 nan 0.000 0.445 603 I N 3.361 123.871 120.570 -0.100 0.000 2.448 603 I HA 0.385 4.577 4.170 0.036 0.000 0.281 603 I C -0.657 175.391 176.117 -0.114 0.000 1.027 603 I CA -0.688 60.561 61.300 -0.084 0.000 1.111 603 I CB 1.517 39.480 38.000 -0.061 0.000 1.236 603 I HN 0.499 nan 8.210 nan 0.000 0.452 604 D N 7.260 127.592 120.400 -0.114 0.000 2.365 604 D HA 0.374 5.036 4.640 0.036 0.000 0.237 604 D C -0.004 176.255 176.300 -0.067 0.000 1.190 604 D CA 0.002 53.933 54.000 -0.116 0.000 0.867 604 D CB 1.369 42.100 40.800 -0.116 0.000 1.050 604 D HN 0.329 nan 8.370 nan 0.000 0.491 605 L N 2.463 123.650 121.223 -0.061 0.000 2.264 605 L HA 0.273 4.634 4.340 0.036 0.000 0.289 605 L C 0.635 177.491 176.870 -0.023 0.000 1.044 605 L CA -0.748 54.066 54.840 -0.043 0.000 0.807 605 L CB 1.049 43.078 42.059 -0.051 0.000 1.192 605 L HN 0.062 nan 8.230 nan 0.000 0.425 606 E N 3.181 123.372 120.200 -0.016 0.000 2.259 606 E HA 0.334 4.706 4.350 0.036 0.000 0.281 606 E C -0.679 175.914 176.600 -0.011 0.000 1.037 606 E CA -0.117 56.280 56.400 -0.005 0.000 0.854 606 E CB 1.000 30.698 29.700 -0.003 0.000 1.051 606 E HN 0.361 nan 8.360 nan 0.000 0.409 607 L N 6.444 127.662 121.223 -0.007 0.000 2.367 607 L HA 0.182 4.544 4.340 0.036 0.000 0.275 607 L C -1.516 175.346 176.870 -0.014 0.000 1.129 607 L CA -1.424 53.407 54.840 -0.015 0.000 0.839 607 L CB 0.672 42.722 42.059 -0.016 0.000 1.133 607 L HN 0.529 nan 8.230 nan 0.000 0.453 608 P HA -0.069 nan 4.420 nan 0.000 0.205 608 P C -0.001 177.290 177.300 -0.013 0.000 1.203 608 P CA 0.637 63.728 63.100 -0.015 0.000 0.926 608 P CB 0.214 31.903 31.700 -0.018 0.000 0.767 609 S N -1.058 114.631 115.700 -0.018 0.000 2.704 609 S HA 0.587 5.079 4.470 0.036 0.000 0.305 609 S C 0.200 174.780 174.600 -0.034 0.000 1.107 609 S CA -0.930 57.260 58.200 -0.017 0.000 0.993 609 S CB 0.486 63.678 63.200 -0.012 0.000 1.110 609 S HN 0.113 nan 8.310 nan 0.000 0.534 610 M N 1.177 120.757 119.600 -0.033 0.000 2.250 610 M HA 0.559 5.060 4.480 0.036 0.000 0.325 610 M C -1.049 175.176 176.300 -0.126 0.000 1.084 610 M CA -0.188 55.061 55.300 -0.084 0.000 1.161 610 M CB -0.427 32.160 32.600 -0.021 0.000 1.481 610 M HN 0.682 nan 8.290 nan 0.000 0.449 611 L N -0.235 120.833 121.223 -0.258 0.000 2.710 611 L HA 0.723 5.085 4.340 0.036 0.000 0.260 611 L C -1.165 175.547 176.870 -0.263 0.000 0.993 611 L CA -0.671 54.058 54.840 -0.186 0.000 0.877 611 L CB 1.636 43.640 42.059 -0.092 0.000 1.461 611 L HN 0.715 nan 8.230 nan 0.000 0.413 612 T N 2.331 116.830 114.554 -0.093 0.000 2.842 612 T HA 0.643 5.014 4.350 0.036 0.000 0.308 612 T C 0.165 174.885 174.700 0.033 0.000 1.041 612 T CA -0.102 61.993 62.100 -0.008 0.000 0.964 612 T CB 0.254 69.184 68.868 0.102 0.000 0.972 612 T HN 0.534 nan 8.240 nan 0.000 0.460 613 I N 3.855 124.457 120.570 0.053 0.000 2.618 613 I HA 0.147 4.338 4.170 0.036 0.000 0.284 613 I C 0.683 176.851 176.117 0.085 0.000 1.146 613 I CA 0.019 61.355 61.300 0.059 0.000 1.425 613 I CB 0.302 38.344 38.000 0.068 0.000 1.383 613 I HN 0.467 nan 8.210 nan 0.000 0.562 614 N N 5.028 123.776 118.700 0.080 0.000 2.675 614 N HA 0.515 5.276 4.740 0.036 0.000 0.254 614 N C -0.605 174.977 175.510 0.119 0.000 1.224 614 N CA 0.183 53.311 53.050 0.130 0.000 0.777 614 N CB 1.101 39.668 38.487 0.133 0.000 1.256 614 N HN 0.932 nan 8.380 nan 0.000 0.531 615 G N 2.168 111.012 108.800 0.073 0.000 2.334 615 G HA2 0.020 4.002 3.960 0.036 0.000 0.315 615 G HA3 0.020 4.002 3.960 0.036 0.000 0.315 615 G C -3.392 171.370 174.900 -0.229 0.000 1.284 615 G CA -0.894 44.123 45.100 -0.139 0.000 0.985 615 G HN 0.238 nan 8.290 nan 0.000 0.504 616 P HA 0.489 nan 4.420 nan 0.000 0.286 616 P C 0.028 177.231 177.300 -0.162 0.000 1.269 616 P CA -0.156 62.786 63.100 -0.264 0.000 0.787 616 P CB 1.674 33.188 31.700 -0.309 0.000 0.920 617 V N 4.144 123.969 119.914 -0.149 0.000 2.649 617 V HA 0.132 4.274 4.120 0.036 0.000 0.292 617 V C 0.892 176.869 176.094 -0.195 0.000 1.055 617 V CA 0.005 62.216 62.300 -0.149 0.000 1.023 617 V CB 0.399 32.130 31.823 -0.153 0.000 0.992 617 V HN 0.534 nan 8.190 nan 0.000 0.480 618 E N 3.972 124.060 120.200 -0.187 0.000 2.195 618 E HA 0.493 4.864 4.350 0.036 0.000 0.271 618 E C -1.367 175.062 176.600 -0.285 0.000 0.923 618 E CA -0.841 55.420 56.400 -0.232 0.000 0.790 618 E CB 2.069 31.684 29.700 -0.142 0.000 1.155 618 E HN 0.288 nan 8.360 nan 0.000 0.402 619 L N 2.767 123.723 121.223 -0.445 0.000 2.318 619 L HA 0.285 4.646 4.340 0.036 0.000 0.277 619 L C -0.262 176.484 176.870 -0.207 0.000 1.008 619 L CA -0.171 54.433 54.840 -0.393 0.000 0.846 619 L CB 1.216 42.884 42.059 -0.651 0.000 1.220 619 L HN 0.670 nan 8.230 nan 0.000 0.423 620 E N 4.930 125.073 120.200 -0.095 0.000 2.081 620 E HA 0.514 4.886 4.350 0.036 0.000 0.281 620 E C -1.341 175.264 176.600 0.009 0.000 0.986 620 E CA -0.359 56.030 56.400 -0.017 0.000 0.796 620 E CB 0.801 30.487 29.700 -0.023 0.000 1.085 620 E HN 0.501 nan 8.360 nan 0.000 0.398 621 L N 4.110 125.370 121.223 0.062 0.000 2.362 621 L HA 0.560 4.922 4.340 0.036 0.000 0.271 621 L C -0.186 176.703 176.870 0.033 0.000 1.002 621 L CA -1.006 53.871 54.840 0.062 0.000 0.818 621 L CB 2.140 44.271 42.059 0.120 0.000 1.298 621 L HN 0.433 nan 8.230 nan 0.000 0.420 622 R N 4.006 124.523 120.500 0.028 0.000 2.288 622 R HA 0.723 5.084 4.340 0.036 0.000 0.326 622 R C -1.255 175.155 176.300 0.184 0.000 0.959 622 R CA -0.363 55.760 56.100 0.039 0.000 0.834 622 R CB 0.770 31.063 30.300 -0.012 0.000 1.157 622 R HN 0.667 nan 8.270 nan 0.000 0.470 623 L N 0.777 121.968 121.223 -0.054 0.000 2.301 623 L HA 0.765 5.127 4.340 0.036 0.000 0.249 623 L C -1.680 174.842 176.870 -0.580 0.000 1.069 623 L CA -1.209 53.565 54.840 -0.109 0.000 0.865 623 L CB 2.184 44.146 42.059 -0.162 0.000 1.467 623 L HN 0.599 nan 8.230 nan 0.000 0.419 624 K N 0.811 120.860 120.400 -0.585 0.000 2.575 624 K HA 0.775 5.116 4.320 0.036 0.000 0.279 624 K C -1.839 174.521 176.600 -0.400 0.000 0.969 624 K CA -0.962 55.028 56.287 -0.495 0.000 0.868 624 K CB 2.417 34.332 32.500 -0.975 0.000 1.457 624 K HN 0.933 nan 8.250 nan 0.000 0.426 625 L N -1.392 119.655 121.223 -0.293 0.000 2.518 625 L HA 0.513 4.874 4.340 0.036 0.000 0.257 625 L C -1.088 175.604 176.870 -0.296 0.000 0.980 625 L CA -1.111 53.486 54.840 -0.405 0.000 0.837 625 L CB 2.166 43.828 42.059 -0.661 0.000 1.410 625 L HN 0.839 nan 8.230 nan 0.000 0.410 626 N N -0.124 118.408 118.700 -0.279 0.000 3.303 626 N HA 0.243 5.004 4.740 0.036 0.000 0.304 626 N C -1.051 174.352 175.510 -0.178 0.000 1.302 626 N CA -0.421 52.508 53.050 -0.202 0.000 1.213 626 N CB 0.105 38.489 38.487 -0.171 0.000 1.481 626 N HN 0.664 nan 8.380 nan 0.000 0.546 627 D N 0.026 120.317 120.400 -0.182 0.000 2.710 627 D HA 0.075 4.737 4.640 0.036 0.000 0.276 627 D C 0.028 176.243 176.300 -0.142 0.000 1.267 627 D CA -0.445 53.465 54.000 -0.150 0.000 0.772 627 D CB 1.620 42.324 40.800 -0.160 0.000 1.299 627 D HN 0.196 nan 8.370 nan 0.000 0.421 628 T N -1.716 112.772 114.554 -0.110 0.000 3.145 628 T HA 0.337 4.708 4.350 0.036 0.000 0.255 628 T C 0.477 175.123 174.700 -0.089 0.000 1.039 628 T CA -0.080 61.957 62.100 -0.104 0.000 0.928 628 T CB -0.216 68.605 68.868 -0.079 0.000 1.029 628 T HN 0.480 nan 8.240 nan 0.000 0.554 629 K N -0.771 119.579 120.400 -0.083 0.000 2.568 629 K HA 0.724 5.065 4.320 0.036 0.000 0.273 629 K C -0.706 175.871 176.600 -0.039 0.000 0.951 629 K CA -1.139 55.124 56.287 -0.041 0.000 0.854 629 K CB 1.643 34.141 32.500 -0.003 0.000 1.424 629 K HN 0.210 nan 8.250 nan 0.000 0.427 630 G N 0.958 109.774 108.800 0.027 0.000 2.339 630 G HA2 0.391 4.373 3.960 0.036 0.000 0.302 630 G HA3 0.391 4.373 3.960 0.036 0.000 0.302 630 G C -1.776 173.223 174.900 0.164 0.000 1.425 630 G CA -0.775 44.346 45.100 0.035 0.000 0.899 630 G HN 0.776 nan 8.290 nan 0.000 0.619 631 F N -1.197 118.857 119.950 0.173 0.000 2.640 631 F HA 0.941 5.489 4.527 0.036 0.000 0.324 631 F C -1.162 174.721 175.800 0.137 0.000 1.077 631 F CA -1.783 56.279 58.000 0.103 0.000 0.965 631 F CB 1.878 40.900 39.000 0.036 0.000 1.351 631 F HN 0.646 nan 8.300 nan 0.000 0.487 632 L N 1.187 122.561 121.223 0.252 0.000 2.381 632 L HA 0.805 5.166 4.340 0.036 0.000 0.268 632 L C -0.975 175.882 176.870 -0.022 0.000 0.997 632 L CA -0.158 54.712 54.840 0.051 0.000 0.818 632 L CB 2.302 44.369 42.059 0.013 0.000 1.310 632 L HN 0.802 nan 8.230 nan 0.000 0.416 633 S N 2.499 118.042 115.700 -0.263 0.000 2.536 633 S HA 0.980 5.472 4.470 0.036 0.000 0.298 633 S C -1.064 173.173 174.600 -0.605 0.000 1.083 633 S CA -0.370 57.480 58.200 -0.585 0.000 0.995 633 S CB 1.816 64.374 63.200 -1.070 0.000 1.058 633 S HN 0.921 nan 8.310 nan 0.000 0.488 634 A N 2.184 124.718 122.820 -0.477 0.000 2.488 634 A HA 0.707 5.049 4.320 0.036 0.000 0.295 634 A C -1.378 176.098 177.584 -0.180 0.000 1.045 634 A CA -0.719 51.219 52.037 -0.166 0.000 0.703 634 A CB 1.315 20.303 19.000 -0.020 0.000 1.271 634 A HN 0.676 nan 8.150 nan 0.000 0.400 635 Q N 1.184 120.961 119.800 -0.039 0.000 2.347 635 Q HA 0.631 4.992 4.340 0.036 0.000 0.271 635 Q C -1.466 174.437 176.000 -0.160 0.000 1.064 635 Q CA -0.511 55.224 55.803 -0.112 0.000 0.800 635 Q CB 2.878 31.622 28.738 0.011 0.000 1.304 635 Q HN 0.703 nan 8.270 nan 0.000 0.438 636 I N 4.125 124.562 120.570 -0.221 0.000 2.439 636 I HA 0.382 4.574 4.170 0.036 0.000 0.285 636 I C -0.788 175.170 176.117 -0.265 0.000 1.021 636 I CA -0.664 60.503 61.300 -0.220 0.000 1.091 636 I CB 1.155 39.038 38.000 -0.195 0.000 1.242 636 I HN 0.352 nan 8.210 nan 0.000 0.439 637 L N 2.990 124.052 121.223 -0.268 0.000 2.342 637 L HA 0.643 5.004 4.340 0.036 0.000 0.271 637 L C -0.339 176.467 176.870 -0.107 0.000 1.008 637 L CA -0.932 53.757 54.840 -0.252 0.000 0.818 637 L CB 1.588 43.419 42.059 -0.379 0.000 1.296 637 L HN 0.357 nan 8.230 nan 0.000 0.427 638 D N 1.789 122.141 120.400 -0.081 0.000 2.383 638 D HA 0.138 4.799 4.640 0.036 0.000 0.245 638 D C -0.983 175.405 176.300 0.147 0.000 1.263 638 D CA 0.148 54.169 54.000 0.035 0.000 0.936 638 D CB 0.108 40.956 40.800 0.080 0.000 1.053 638 D HN 0.332 nan 8.370 nan 0.000 0.507 639 F N 2.739 122.684 119.950 -0.008 0.000 2.396 639 F HA 0.554 5.102 4.527 0.036 0.000 0.343 639 F C 0.875 176.705 175.800 0.051 0.000 1.104 639 F CA 0.653 58.673 58.000 0.034 0.000 1.161 639 F CB 1.173 40.161 39.000 -0.021 0.000 1.146 639 F HN 0.495 nan 8.300 nan 0.000 0.522 640 G N 4.522 113.024 108.800 -0.496 0.000 2.627 640 G HA2 -0.023 3.959 3.960 0.036 0.000 0.680 640 G HA3 -0.023 3.959 3.960 0.036 0.000 0.680 640 G C -1.631 173.133 174.900 -0.227 0.000 1.341 640 G CA -1.229 43.685 45.100 -0.309 0.000 0.835 640 G HN 0.539 nan 8.290 nan 0.000 0.643 641 Q N 0.921 120.605 119.800 -0.195 0.000 2.255 641 Q HA 0.372 4.734 4.340 0.036 0.000 0.280 641 Q C 0.412 176.357 176.000 -0.093 0.000 1.068 641 Q CA 0.828 56.544 55.803 -0.146 0.000 0.911 641 Q CB 1.195 29.865 28.738 -0.114 0.000 1.157 641 Q HN 0.755 nan 8.270 nan 0.000 0.380 642 K N 1.823 122.173 120.400 -0.085 0.000 2.610 642 K HA 0.211 4.552 4.320 0.036 0.000 0.278 642 K C -1.248 175.320 176.600 -0.053 0.000 0.964 642 K CA -0.647 55.608 56.287 -0.053 0.000 0.859 642 K CB 1.396 33.878 32.500 -0.029 0.000 1.434 642 K HN 0.281 nan 8.250 nan 0.000 0.410 643 K N 2.999 123.371 120.400 -0.046 0.000 2.379 643 K HA 0.238 4.579 4.320 0.036 0.000 0.284 643 K C -0.410 176.163 176.600 -0.045 0.000 1.044 643 K CA 0.087 56.344 56.287 -0.050 0.000 0.974 643 K CB 0.824 33.294 32.500 -0.050 0.000 0.962 643 K HN 0.388 nan 8.250 nan 0.000 0.474 644 R N 2.365 122.839 120.500 -0.043 0.000 2.774 644 R HA 0.378 4.739 4.340 0.036 0.000 0.272 644 R C -0.742 175.534 176.300 -0.039 0.000 1.000 644 R CA -1.033 55.049 56.100 -0.029 0.000 0.906 644 R CB 1.297 31.605 30.300 0.013 0.000 1.227 644 R HN 0.360 nan 8.270 nan 0.000 0.468 645 L N 1.950 123.147 121.223 -0.044 0.000 2.367 645 L HA 0.207 4.568 4.340 0.036 0.000 0.275 645 L C 0.694 177.551 176.870 -0.022 0.000 1.129 645 L CA 0.114 54.918 54.840 -0.060 0.000 0.839 645 L CB 0.517 42.521 42.059 -0.091 0.000 1.133 645 L HN 0.443 nan 8.230 nan 0.000 0.453 646 E N 1.417 121.598 120.200 -0.033 0.000 2.369 646 E HA -0.026 4.346 4.350 0.036 0.000 0.255 646 E C -0.072 176.538 176.600 0.017 0.000 1.172 646 E CA -0.316 56.085 56.400 0.001 0.000 0.932 646 E CB 0.798 30.490 29.700 -0.013 0.000 1.040 646 E HN 0.619 nan 8.360 nan 0.000 0.454 647 D N 0.844 121.280 120.400 0.059 0.000 2.340 647 D HA 0.039 4.700 4.640 0.036 0.000 0.217 647 D C -0.162 176.189 176.300 0.086 0.000 1.081 647 D CA 0.094 54.145 54.000 0.085 0.000 0.842 647 D CB 0.233 41.104 40.800 0.119 0.000 0.934 647 D HN -0.023 nan 8.370 nan 0.000 0.511 648 K N 0.225 120.654 120.400 0.048 0.000 2.378 648 K HA 0.435 4.777 4.320 0.036 0.000 0.252 648 K C -1.071 175.520 176.600 -0.015 0.000 0.931 648 K CA -0.886 55.427 56.287 0.043 0.000 0.794 648 K CB 2.693 35.222 32.500 0.049 0.000 1.181 648 K HN -0.143 nan 8.250 nan 0.000 0.425 649 V N 3.587 123.491 119.914 -0.017 0.000 3.133 649 V HA 0.390 4.531 4.120 0.036 0.000 0.305 649 V C -0.132 175.913 176.094 -0.082 0.000 1.084 649 V CA -0.077 62.164 62.300 -0.099 0.000 1.089 649 V CB 1.251 33.033 31.823 -0.068 0.000 1.073 649 V HN 0.796 nan 8.190 nan 0.000 0.477 650 R N 2.660 123.080 120.500 -0.132 0.000 2.686 650 R HA 0.605 4.966 4.340 0.036 0.000 0.286 650 R C -1.577 174.635 176.300 -0.147 0.000 0.969 650 R CA -0.696 55.339 56.100 -0.108 0.000 0.898 650 R CB 2.052 32.290 30.300 -0.103 0.000 1.183 650 R HN 0.527 nan 8.270 nan 0.000 0.456 651 V N 5.367 125.184 119.914 -0.162 0.000 2.555 651 V HA 0.071 4.212 4.120 0.036 0.000 0.286 651 V C 0.918 176.840 176.094 -0.287 0.000 1.044 651 V CA 0.039 62.164 62.300 -0.293 0.000 1.026 651 V CB 1.399 32.902 31.823 -0.533 0.000 0.981 651 V HN 0.822 nan 8.190 nan 0.000 0.480 652 K N 1.865 122.099 120.400 -0.277 0.000 2.172 652 K HA 0.252 4.594 4.320 0.036 0.000 0.203 652 K C 0.137 176.605 176.600 -0.220 0.000 1.040 652 K CA 0.685 56.853 56.287 -0.198 0.000 0.974 652 K CB 0.354 32.767 32.500 -0.145 0.000 0.857 652 K HN 0.681 nan 8.250 nan 0.000 0.464 653 D N -0.665 119.567 120.400 -0.280 0.000 2.753 653 D HA 0.255 4.916 4.640 0.036 0.000 0.224 653 D C -1.242 174.877 176.300 -0.301 0.000 1.213 653 D CA -0.480 53.391 54.000 -0.215 0.000 0.833 653 D CB 1.810 42.564 40.800 -0.076 0.000 1.607 653 D HN -0.201 nan 8.370 nan 0.000 0.463 654 F N 1.391 121.341 119.950 0.001 0.000 2.404 654 F HA 0.229 4.777 4.527 0.036 0.000 0.345 654 F C 1.260 177.063 175.800 0.006 0.000 1.110 654 F CA -0.500 57.503 58.000 0.005 0.000 1.130 654 F CB 0.878 39.880 39.000 0.004 0.000 1.129 654 F HN 0.190 nan 8.300 nan 0.000 0.500 655 K N 0.226 120.732 120.400 0.176 0.000 3.071 655 K HA -0.176 4.166 4.320 0.036 0.000 0.262 655 K C 0.567 177.212 176.600 0.074 0.000 0.977 655 K CA 0.652 57.003 56.287 0.106 0.000 0.721 655 K CB -1.823 30.742 32.500 0.108 0.000 1.293 655 K HN 0.564 nan 8.250 nan 0.000 0.475 656 V N -3.347 116.597 119.914 0.051 0.000 3.590 656 V HA 0.152 4.293 4.120 0.036 0.000 0.265 656 V C 0.746 176.864 176.094 0.041 0.000 1.239 656 V CA 0.085 62.410 62.300 0.041 0.000 1.117 656 V CB 0.020 31.851 31.823 0.014 0.000 0.818 656 V HN 0.272 nan 8.190 nan 0.000 0.451 657 L N 2.505 123.746 121.223 0.029 0.000 2.260 657 L HA 0.553 4.914 4.340 0.036 0.000 0.289 657 L C -0.512 176.380 176.870 0.037 0.000 1.057 657 L CA -0.040 54.816 54.840 0.026 0.000 0.811 657 L CB 0.894 42.950 42.059 -0.006 0.000 1.184 657 L HN 0.102 nan 8.230 nan 0.000 0.429 658 D N 2.810 123.252 120.400 0.070 0.000 2.329 658 D HA 0.188 4.850 4.640 0.036 0.000 0.232 658 D C 0.673 177.037 176.300 0.106 0.000 1.088 658 D CA -0.542 53.507 54.000 0.082 0.000 0.835 658 D CB 1.387 42.248 40.800 0.102 0.000 1.078 658 D HN 0.223 nan 8.370 nan 0.000 0.495 659 R N 1.828 122.387 120.500 0.099 0.000 2.319 659 R HA 0.329 4.691 4.340 0.036 0.000 0.204 659 R C 0.975 177.422 176.300 0.245 0.000 0.954 659 R CA 0.060 56.254 56.100 0.157 0.000 1.066 659 R CB 0.280 30.610 30.300 0.050 0.000 0.991 659 R HN 0.550 nan 8.270 nan 0.000 0.486 660 G N -1.116 107.819 108.800 0.225 0.000 3.074 660 G HA2 0.151 4.132 3.960 0.036 0.000 0.127 660 G HA3 0.151 4.132 3.960 0.036 0.000 0.127 660 G C -1.217 173.738 174.900 0.091 0.000 1.216 660 G CA -0.755 44.434 45.100 0.149 0.000 1.390 660 G HN 0.065 nan 8.290 nan 0.000 0.676 661 R N 1.172 121.719 120.500 0.078 0.000 2.477 661 R HA 0.465 4.827 4.340 0.036 0.000 0.285 661 R C -0.166 176.181 176.300 0.078 0.000 1.415 661 R CA -0.381 55.742 56.100 0.039 0.000 1.446 661 R CB -0.274 30.012 30.300 -0.024 0.000 1.110 661 R HN 0.457 nan 8.270 nan 0.000 0.590 662 N N 1.563 120.322 118.700 0.099 0.000 2.756 662 N HA -0.267 4.495 4.740 0.036 0.000 0.248 662 N C -1.452 174.165 175.510 0.178 0.000 1.062 662 N CA 0.936 54.046 53.050 0.101 0.000 0.696 662 N CB -0.767 37.758 38.487 0.064 0.000 0.946 662 N HN 0.309 nan 8.380 nan 0.000 0.548 663 F N 1.401 121.349 119.950 -0.003 0.000 2.477 663 F HA 0.425 4.973 4.527 0.036 0.000 0.335 663 F C 0.534 176.332 175.800 -0.003 0.000 1.130 663 F CA -0.893 57.102 58.000 -0.008 0.000 0.948 663 F CB 0.662 39.653 39.000 -0.016 0.000 1.154 663 F HN 0.101 nan 8.300 nan 0.000 0.439 664 M N 6.649 125.982 119.600 -0.444 0.000 2.259 664 M HA -0.246 4.255 4.480 0.036 0.000 0.188 664 M C -0.848 175.336 176.300 -0.193 0.000 0.665 664 M CA 0.698 55.743 55.300 -0.424 0.000 0.464 664 M CB -2.247 29.919 32.600 -0.723 0.000 1.063 664 M HN 0.456 nan 8.290 nan 0.000 0.912 665 L N 0.442 121.615 121.223 -0.082 0.000 2.525 665 L HA 0.062 4.424 4.340 0.036 0.000 0.278 665 L C 0.932 177.787 176.870 -0.024 0.000 1.218 665 L CA 0.701 55.528 54.840 -0.022 0.000 0.878 665 L CB 0.215 42.284 42.059 0.016 0.000 1.127 665 L HN 0.311 nan 8.230 nan 0.000 0.492 666 D N 0.871 121.265 120.400 -0.009 0.000 2.547 666 D HA 0.304 4.966 4.640 0.036 0.000 0.231 666 D C -1.093 175.217 176.300 0.016 0.000 1.099 666 D CA -0.535 53.462 54.000 -0.004 0.000 0.901 666 D CB 1.963 42.741 40.800 -0.037 0.000 1.478 666 D HN 0.326 nan 8.370 nan 0.000 0.471 667 D N 0.758 121.169 120.400 0.018 0.000 2.264 667 D HA 0.250 4.912 4.640 0.036 0.000 0.249 667 D C -0.202 176.073 176.300 -0.042 0.000 1.070 667 D CA -0.394 53.591 54.000 -0.025 0.000 0.912 667 D CB 1.360 42.125 40.800 -0.058 0.000 1.193 667 D HN 0.127 nan 8.370 nan 0.000 0.427 668 L N 2.570 123.743 121.223 -0.083 0.000 2.276 668 L HA 0.364 4.725 4.340 0.036 0.000 0.286 668 L C -0.460 176.352 176.870 -0.096 0.000 1.061 668 L CA -0.333 54.475 54.840 -0.053 0.000 0.807 668 L CB 0.914 42.940 42.059 -0.057 0.000 1.177 668 L HN 0.259 nan 8.230 nan 0.000 0.429 669 V N 1.935 121.827 119.914 -0.035 0.000 3.155 669 V HA 0.951 5.092 4.120 0.036 0.000 0.313 669 V C -0.985 174.956 176.094 -0.256 0.000 1.162 669 V CA -0.658 61.572 62.300 -0.117 0.000 1.048 669 V CB 1.952 33.744 31.823 -0.053 0.000 1.092 669 V HN 0.864 nan 8.190 nan 0.000 0.447 670 E N 0.337 120.299 120.200 -0.397 0.000 2.400 670 E HA 0.542 4.914 4.350 0.036 0.000 0.285 670 E C -2.034 174.251 176.600 -0.525 0.000 1.005 670 E CA -0.598 55.437 56.400 -0.607 0.000 0.816 670 E CB 1.660 31.143 29.700 -0.363 0.000 1.220 670 E HN 0.836 nan 8.360 nan 0.000 0.426 671 L N 4.981 125.806 121.223 -0.663 0.000 2.462 671 L HA 0.359 4.720 4.340 0.036 0.000 0.272 671 L C -1.938 174.771 176.870 -0.267 0.000 1.166 671 L CA -1.199 53.397 54.840 -0.406 0.000 0.880 671 L CB 0.080 41.899 42.059 -0.400 0.000 1.142 671 L HN 0.451 nan 8.230 nan 0.000 0.473 672 P HA 0.164 nan 4.420 nan 0.000 0.282 672 P C -1.003 176.232 177.300 -0.109 0.000 1.249 672 P CA -0.751 62.270 63.100 -0.132 0.000 0.806 672 P CB 1.622 33.262 31.700 -0.100 0.000 0.984 673 L N 4.991 126.156 121.223 -0.097 0.000 2.255 673 L HA 0.377 4.738 4.340 0.036 0.000 0.289 673 L C -0.338 176.492 176.870 -0.066 0.000 1.046 673 L CA -0.480 54.310 54.840 -0.083 0.000 0.816 673 L CB 0.388 42.396 42.059 -0.085 0.000 1.197 673 L HN 0.253 nan 8.230 nan 0.000 0.427 674 V N 1.599 121.477 119.914 -0.060 0.000 3.040 674 V HA 0.611 4.752 4.120 0.036 0.000 0.312 674 V C -0.293 175.766 176.094 -0.059 0.000 1.115 674 V CA -0.930 61.337 62.300 -0.055 0.000 0.998 674 V CB 1.795 33.587 31.823 -0.051 0.000 1.042 674 V HN 0.770 nan 8.190 nan 0.000 0.433 675 E N 1.877 122.040 120.200 -0.061 0.000 2.344 675 E HA 0.531 4.902 4.350 0.036 0.000 0.270 675 E C -0.186 176.356 176.600 -0.097 0.000 1.021 675 E CA 0.094 56.450 56.400 -0.073 0.000 0.887 675 E CB 0.922 30.581 29.700 -0.068 0.000 0.997 675 E HN 1.099 nan 8.360 nan 0.000 0.429 676 S N 3.361 118.988 115.700 -0.122 0.000 2.569 676 S HA 0.442 4.933 4.470 0.036 0.000 0.280 676 S C -2.160 172.282 174.600 -0.264 0.000 1.111 676 S CA -1.265 56.820 58.200 -0.192 0.000 0.887 676 S CB 2.062 65.160 63.200 -0.171 0.000 1.095 676 S HN 0.410 nan 8.310 nan 0.000 0.476 677 P HA 0.108 nan 4.420 nan 0.000 0.229 677 P C -0.451 176.564 177.300 -0.476 0.000 1.160 677 P CA 1.062 63.877 63.100 -0.475 0.000 0.777 677 P CB -0.485 30.903 31.700 -0.520 0.000 0.814 678 Y N -3.730 116.459 120.300 -0.185 0.000 2.932 678 Y HA 0.615 5.187 4.550 0.036 0.000 0.384 678 Y C -1.570 174.283 175.900 -0.078 0.000 1.193 678 Y CA -1.667 56.342 58.100 -0.151 0.000 1.161 678 Y CB -0.009 38.376 38.460 -0.125 0.000 1.500 678 Y HN -0.123 nan 8.280 nan 0.000 0.463 679 Q N 1.432 121.361 119.800 0.215 0.000 2.352 679 Q HA 0.538 4.900 4.340 0.036 0.000 0.270 679 Q C -2.229 173.766 176.000 -0.007 0.000 1.006 679 Q CA -1.040 54.843 55.803 0.132 0.000 0.880 679 Q CB 2.652 31.470 28.738 0.135 0.000 1.392 679 Q HN 0.932 nan 8.270 nan 0.000 0.401 680 L N 4.601 125.803 121.223 -0.035 0.000 2.462 680 L HA 0.126 4.487 4.340 0.036 0.000 0.272 680 L C -0.306 176.538 176.870 -0.044 0.000 1.166 680 L CA 0.768 55.519 54.840 -0.149 0.000 0.880 680 L CB 1.150 43.117 42.059 -0.152 0.000 1.142 680 L HN 0.765 nan 8.230 nan 0.000 0.473 681 V N 3.295 123.088 119.914 -0.203 0.000 2.492 681 V HA 0.199 4.341 4.120 0.036 0.000 0.241 681 V C 0.923 177.017 176.094 0.001 0.000 1.041 681 V CA 1.340 63.490 62.300 -0.250 0.000 1.057 681 V CB 0.086 31.612 31.823 -0.495 0.000 0.711 681 V HN 0.938 nan 8.190 nan 0.000 0.468 682 T N -0.236 114.236 114.554 -0.137 0.000 2.775 682 T HA 0.502 4.873 4.350 0.036 0.000 0.320 682 T C -2.022 172.493 174.700 -0.309 0.000 1.597 682 T CA -0.754 61.270 62.100 -0.127 0.000 1.022 682 T CB 1.817 70.671 68.868 -0.022 0.000 1.485 682 T HN 0.495 nan 8.240 nan 0.000 0.494 683 K N 0.741 120.941 120.400 -0.332 0.000 2.548 683 K HA 0.853 5.195 4.320 0.036 0.000 0.282 683 K C -0.736 175.676 176.600 -0.314 0.000 1.006 683 K CA -1.175 54.886 56.287 -0.376 0.000 0.892 683 K CB 1.767 33.981 32.500 -0.476 0.000 1.499 683 K HN 0.951 nan 8.250 nan 0.000 0.433 684 G N 0.399 108.899 108.800 -0.500 0.000 2.601 684 G HA2 0.685 4.666 3.960 0.036 0.000 0.291 684 G HA3 0.685 4.666 3.960 0.036 0.000 0.291 684 G C -1.976 172.559 174.900 -0.608 0.000 1.456 684 G CA -0.846 44.085 45.100 -0.282 0.000 0.804 684 G HN 0.329 nan 8.290 nan 0.000 0.499 685 F N -0.787 119.174 119.950 0.018 0.000 2.626 685 F HA 0.876 5.424 4.527 0.036 0.000 0.311 685 F C 0.218 175.873 175.800 -0.241 0.000 1.088 685 F CA -0.898 57.017 58.000 -0.141 0.000 0.949 685 F CB 2.752 41.638 39.000 -0.190 0.000 1.322 685 F HN 0.611 nan 8.300 nan 0.000 0.461 686 T N 0.926 115.382 114.554 -0.165 0.000 2.957 686 T HA 0.255 4.627 4.350 0.036 0.000 0.336 686 T C -1.960 172.708 174.700 -0.053 0.000 1.462 686 T CA -0.777 61.201 62.100 -0.204 0.000 1.073 686 T CB 1.332 69.888 68.868 -0.519 0.000 1.319 686 T HN 0.686 nan 8.240 nan 0.000 0.485 687 N N 4.157 122.862 118.700 0.010 0.000 2.422 687 N HA 0.218 4.979 4.740 0.036 0.000 0.264 687 N C 1.500 177.047 175.510 0.062 0.000 1.063 687 N CA -0.276 52.828 53.050 0.090 0.000 0.959 687 N CB 0.894 39.424 38.487 0.071 0.000 1.087 687 N HN 0.674 nan 8.380 nan 0.000 0.483 688 L N 2.685 123.967 121.223 0.099 0.000 2.349 688 L HA -0.162 4.199 4.340 0.036 0.000 0.220 688 L C 1.790 178.656 176.870 -0.007 0.000 1.130 688 L CA 1.062 55.949 54.840 0.079 0.000 0.791 688 L CB -0.131 41.998 42.059 0.118 0.000 0.918 688 L HN 0.577 nan 8.230 nan 0.000 0.444 689 Q N -0.446 119.352 119.800 -0.004 0.000 2.360 689 Q HA 0.038 4.399 4.340 0.036 0.000 0.202 689 Q C -0.141 175.848 176.000 -0.018 0.000 0.915 689 Q CA 0.055 55.839 55.803 -0.032 0.000 0.943 689 Q CB 0.232 28.963 28.738 -0.012 0.000 1.064 689 Q HN 0.452 nan 8.270 nan 0.000 0.511 690 N N 0.932 119.635 118.700 0.003 0.000 2.816 690 N HA 0.060 4.822 4.740 0.036 0.000 0.236 690 N C 0.365 175.883 175.510 0.012 0.000 1.076 690 N CA -0.119 52.932 53.050 0.002 0.000 0.902 690 N CB 0.924 39.423 38.487 0.020 0.000 1.149 690 N HN -0.019 nan 8.380 nan 0.000 0.506 691 Q N -0.100 119.703 119.800 0.004 0.000 2.226 691 Q HA -0.050 4.312 4.340 0.036 0.000 0.204 691 Q C 0.218 176.232 176.000 0.022 0.000 0.975 691 Q CA 0.944 56.762 55.803 0.026 0.000 0.866 691 Q CB 0.007 28.753 28.738 0.014 0.000 0.915 691 Q HN 0.669 nan 8.270 nan 0.000 0.440 692 S N -2.530 113.167 115.700 -0.005 0.000 2.615 692 S HA 0.387 4.878 4.470 0.036 0.000 0.269 692 S C 0.588 175.161 174.600 -0.045 0.000 1.161 692 S CA -0.831 57.356 58.200 -0.021 0.000 0.817 692 S CB 0.508 63.686 63.200 -0.037 0.000 1.131 692 S HN 0.047 nan 8.310 nan 0.000 0.467 693 L N 0.043 121.217 121.223 -0.081 0.000 2.131 693 L HA -0.039 4.322 4.340 0.036 0.000 0.210 693 L C 1.495 178.296 176.870 -0.116 0.000 1.092 693 L CA 1.133 55.902 54.840 -0.119 0.000 0.759 693 L CB -0.606 41.288 42.059 -0.275 0.000 0.903 693 L HN 0.604 nan 8.230 nan 0.000 0.435 694 L N -1.333 119.813 121.223 -0.129 0.000 2.509 694 L HA 0.046 4.408 4.340 0.036 0.000 0.222 694 L C 0.986 177.791 176.870 -0.108 0.000 1.123 694 L CA 0.612 55.390 54.840 -0.103 0.000 0.856 694 L CB -0.432 41.561 42.059 -0.110 0.000 0.985 694 L HN 0.212 nan 8.230 nan 0.000 0.456 695 T N -2.327 112.162 114.554 -0.109 0.000 2.847 695 T HA 0.671 5.043 4.350 0.036 0.000 0.291 695 T C -0.521 174.094 174.700 -0.140 0.000 0.998 695 T CA -0.632 61.390 62.100 -0.130 0.000 0.967 695 T CB 1.506 70.328 68.868 -0.078 0.000 0.954 695 T HN -0.231 nan 8.240 nan 0.000 0.441 696 V N 4.127 123.902 119.914 -0.233 0.000 2.427 696 V HA 0.760 4.902 4.120 0.036 0.000 0.286 696 V C 0.457 176.493 176.094 -0.097 0.000 1.034 696 V CA -0.607 61.595 62.300 -0.163 0.000 0.893 696 V CB 1.432 33.130 31.823 -0.209 0.000 0.982 696 V HN 1.194 nan 8.190 nan 0.000 0.452 697 S N 2.421 118.086 115.700 -0.058 0.000 2.634 697 S HA 0.584 5.076 4.470 0.036 0.000 0.296 697 S C -0.948 173.620 174.600 -0.054 0.000 1.104 697 S CA -1.073 57.098 58.200 -0.049 0.000 0.920 697 S CB 1.905 65.072 63.200 -0.056 0.000 1.111 697 S HN 0.615 nan 8.310 nan 0.000 0.493 698 D N 0.617 120.985 120.400 -0.054 0.000 2.362 698 D HA 0.344 5.005 4.640 0.036 0.000 0.242 698 D C -0.676 175.548 176.300 -0.127 0.000 1.132 698 D CA -0.069 53.890 54.000 -0.068 0.000 0.907 698 D CB 0.921 41.690 40.800 -0.052 0.000 1.195 698 D HN 0.367 nan 8.370 nan 0.000 0.429 699 L N 1.895 123.027 121.223 -0.152 0.000 2.341 699 L HA 0.254 4.615 4.340 0.036 0.000 0.278 699 L C -0.774 175.971 176.870 -0.208 0.000 1.005 699 L CA -0.670 54.018 54.840 -0.253 0.000 0.818 699 L CB 1.321 43.219 42.059 -0.268 0.000 1.259 699 L HN 0.032 nan 8.230 nan 0.000 0.418 700 K N 4.454 124.715 120.400 -0.231 0.000 2.234 700 K HA 0.631 4.973 4.320 0.036 0.000 0.277 700 K C -0.288 176.232 176.600 -0.133 0.000 1.038 700 K CA -0.354 55.847 56.287 -0.143 0.000 0.888 700 K CB 1.452 33.896 32.500 -0.092 0.000 1.091 700 K HN 0.721 nan 8.250 nan 0.000 0.467 701 A N 2.285 125.036 122.820 -0.115 0.000 2.386 701 A HA 0.188 4.530 4.320 0.036 0.000 0.248 701 A C 0.217 177.731 177.584 -0.117 0.000 1.082 701 A CA -0.025 51.939 52.037 -0.122 0.000 0.789 701 A CB 0.026 18.956 19.000 -0.117 0.000 1.025 701 A HN 0.915 nan 8.150 nan 0.000 0.490 702 D N -0.911 119.393 120.400 -0.160 0.000 3.018 702 D HA -0.170 4.492 4.640 0.036 0.000 0.224 702 D C 0.168 176.347 176.300 -0.202 0.000 1.185 702 D CA 1.930 55.810 54.000 -0.199 0.000 0.858 702 D CB -0.793 39.919 40.800 -0.146 0.000 1.112 702 D HN 0.838 nan 8.370 nan 0.000 0.415 703 E N -0.652 119.467 120.200 -0.135 0.000 2.199 703 E HA 0.351 4.722 4.350 0.036 0.000 0.269 703 E C -0.569 176.061 176.600 0.050 0.000 0.899 703 E CA -0.797 55.581 56.400 -0.038 0.000 0.772 703 E CB 1.051 30.774 29.700 0.038 0.000 1.155 703 E HN 0.004 nan 8.360 nan 0.000 0.408 704 W N 4.878 126.251 121.300 0.121 0.000 2.216 704 W HA 0.253 4.934 4.660 0.036 0.000 0.326 704 W C -0.058 176.584 176.519 0.206 0.000 1.319 704 W CA -0.082 57.316 57.345 0.089 0.000 1.213 704 W CB 0.356 29.836 29.460 0.034 0.000 1.171 704 W HN 0.344 nan 8.180 nan 0.000 0.557 705 F N 0.098 120.221 119.950 0.287 0.000 2.686 705 F HA 0.769 5.317 4.527 0.036 0.000 0.311 705 F C -0.589 175.322 175.800 0.184 0.000 1.128 705 F CA -1.484 56.621 58.000 0.174 0.000 0.946 705 F CB 1.126 40.180 39.000 0.090 0.000 1.336 705 F HN 0.151 nan 8.300 nan 0.000 0.457 706 T N 0.718 115.413 114.554 0.236 0.000 2.841 706 T HA 0.802 5.173 4.350 0.036 0.000 0.283 706 T C -0.694 174.138 174.700 0.220 0.000 1.000 706 T CA -0.602 61.573 62.100 0.125 0.000 0.977 706 T CB 1.489 70.414 68.868 0.095 0.000 0.979 706 T HN 1.024 nan 8.240 nan 0.000 0.446 707 I N -0.682 120.005 120.570 0.195 0.000 2.646 707 I HA 0.726 4.917 4.170 0.036 0.000 0.299 707 I C -0.747 175.512 176.117 0.237 0.000 1.036 707 I CA -1.178 60.274 61.300 0.253 0.000 1.074 707 I CB 2.353 40.540 38.000 0.311 0.000 1.258 707 I HN 0.470 nan 8.210 nan 0.000 0.430 708 K N 5.588 126.129 120.400 0.234 0.000 2.579 708 K HA 0.514 4.856 4.320 0.036 0.000 0.250 708 K C -1.829 174.923 176.600 0.253 0.000 0.952 708 K CA -0.474 55.917 56.287 0.173 0.000 0.857 708 K CB 1.908 34.462 32.500 0.090 0.000 1.123 708 K HN 0.722 nan 8.250 nan 0.000 0.433 709 F N 0.283 120.243 119.950 0.017 0.000 2.599 709 F HA 0.531 5.079 4.527 0.036 0.000 0.311 709 F C -0.485 175.306 175.800 -0.015 0.000 1.076 709 F CA -1.074 56.931 58.000 0.010 0.000 0.937 709 F CB 1.233 40.248 39.000 0.025 0.000 1.282 709 F HN 0.220 nan 8.300 nan 0.000 0.460 710 E N 2.972 123.161 120.200 -0.018 0.000 2.248 710 E HA 0.554 4.926 4.350 0.036 0.000 0.272 710 E C -0.726 175.822 176.600 -0.086 0.000 1.008 710 E CA -0.882 55.441 56.400 -0.128 0.000 0.856 710 E CB 2.226 31.891 29.700 -0.058 0.000 1.120 710 E HN 0.559 nan 8.360 nan 0.000 0.397 711 L N 0.983 122.112 121.223 -0.156 0.000 2.492 711 L HA 0.236 4.598 4.340 0.036 0.000 0.263 711 L C 0.488 177.320 176.870 -0.063 0.000 1.062 711 L CA -1.251 53.528 54.840 -0.103 0.000 0.817 711 L CB 0.469 42.427 42.059 -0.167 0.000 1.441 711 L HN 0.311 nan 8.230 nan 0.000 0.493 712 Q N 2.033 121.827 119.800 -0.009 0.000 2.330 712 Q HA 0.158 4.520 4.340 0.036 0.000 0.279 712 Q C -2.212 173.769 176.000 -0.032 0.000 1.024 712 Q CA -1.461 54.368 55.803 0.042 0.000 0.900 712 Q CB 0.302 29.185 28.738 0.242 0.000 1.221 712 Q HN 0.215 nan 8.270 nan 0.000 0.396 713 P HA 0.126 nan 4.420 nan 0.000 0.272 713 P C -0.240 177.061 177.300 0.002 0.000 1.223 713 P CA -0.003 62.921 63.100 -0.292 0.000 0.784 713 P CB 1.288 32.442 31.700 -0.909 0.000 0.923 714 T N 0.516 115.134 114.554 0.107 0.000 2.677 714 T HA 0.525 4.896 4.350 0.036 0.000 0.305 714 T C -1.797 173.021 174.700 0.197 0.000 1.569 714 T CA -0.559 61.658 62.100 0.196 0.000 0.984 714 T CB 0.554 69.508 68.868 0.142 0.000 1.629 714 T HN 0.236 nan 8.240 nan 0.000 0.494 715 I N 2.560 123.199 120.570 0.115 0.000 2.468 715 I HA 0.504 4.696 4.170 0.036 0.000 0.284 715 I C -1.699 174.507 176.117 0.147 0.000 1.038 715 I CA -0.712 60.640 61.300 0.088 0.000 1.083 715 I CB 1.808 39.784 38.000 -0.040 0.000 1.223 715 I HN 0.620 nan 8.210 nan 0.000 0.443 716 Y N 5.709 126.018 120.300 0.015 0.000 2.433 716 Y HA 0.395 4.967 4.550 0.036 0.000 0.337 716 Y C -0.804 175.121 175.900 0.042 0.000 1.026 716 Y CA -0.678 57.437 58.100 0.025 0.000 1.037 716 Y CB 1.518 39.991 38.460 0.021 0.000 1.245 716 Y HN 0.516 nan 8.280 nan 0.000 0.443 717 H N 6.644 125.590 119.070 -0.206 0.000 2.458 717 H HA 0.588 5.166 4.556 0.036 0.000 0.330 717 H C -1.702 173.581 175.328 -0.075 0.000 1.111 717 H CA -0.276 55.710 56.048 -0.103 0.000 1.245 717 H CB 1.180 30.860 29.762 -0.137 0.000 1.456 717 H HN 0.802 nan 8.280 nan 0.000 0.488 718 L N 3.801 124.755 121.223 -0.448 0.000 2.370 718 L HA 0.300 4.661 4.340 0.036 0.000 0.266 718 L C 0.059 176.772 176.870 -0.262 0.000 1.002 718 L CA -0.939 53.802 54.840 -0.165 0.000 0.818 718 L CB 2.245 44.290 42.059 -0.024 0.000 1.325 718 L HN 0.569 nan 8.230 nan 0.000 0.418 719 E N 1.976 122.161 120.200 -0.025 0.000 2.283 719 E HA 0.113 4.485 4.350 0.036 0.000 0.267 719 E C 0.277 176.874 176.600 -0.005 0.000 1.045 719 E CA -0.547 55.867 56.400 0.023 0.000 0.884 719 E CB 1.382 31.122 29.700 0.067 0.000 1.106 719 E HN 0.404 nan 8.360 nan 0.000 0.408 720 K N 0.940 121.340 120.400 0.001 0.000 2.286 720 K HA -0.153 4.188 4.320 0.036 0.000 0.203 720 K C 1.186 177.789 176.600 0.005 0.000 1.045 720 K CA 1.664 57.950 56.287 -0.003 0.000 0.935 720 K CB -0.342 32.159 32.500 0.002 0.000 0.737 720 K HN 0.364 nan 8.250 nan 0.000 0.460 721 A N 1.079 123.907 122.820 0.014 0.000 2.147 721 A HA 0.059 4.400 4.320 0.036 0.000 0.211 721 A C 0.132 177.732 177.584 0.026 0.000 1.160 721 A CA -0.067 51.980 52.037 0.018 0.000 0.781 721 A CB -0.060 18.951 19.000 0.017 0.000 0.842 721 A HN 0.300 nan 8.150 nan 0.000 0.475 722 D N 0.694 121.113 120.400 0.030 0.000 2.368 722 D HA 0.373 5.035 4.640 0.036 0.000 0.240 722 D C -0.246 176.082 176.300 0.048 0.000 1.169 722 D CA 0.637 54.666 54.000 0.047 0.000 0.906 722 D CB 0.570 41.407 40.800 0.062 0.000 1.187 722 D HN -0.030 nan 8.370 nan 0.000 0.435 723 K N 0.380 120.824 120.400 0.074 0.000 2.324 723 K HA 0.496 4.838 4.320 0.036 0.000 0.253 723 K C -0.666 175.975 176.600 0.068 0.000 0.932 723 K CA -0.445 55.886 56.287 0.073 0.000 0.799 723 K CB 1.742 34.313 32.500 0.119 0.000 1.154 723 K HN 0.196 nan 8.250 nan 0.000 0.425 724 L N 2.845 124.074 121.223 0.010 0.000 2.280 724 L HA 0.480 4.841 4.340 0.036 0.000 0.287 724 L C -0.174 176.649 176.870 -0.078 0.000 1.023 724 L CA -0.899 53.921 54.840 -0.033 0.000 0.819 724 L CB 1.390 43.413 42.059 -0.059 0.000 1.212 724 L HN 0.408 nan 8.230 nan 0.000 0.420 725 R N 3.130 123.561 120.500 -0.116 0.000 2.205 725 R HA 0.389 4.751 4.340 0.036 0.000 0.342 725 R C -1.211 174.967 176.300 -0.204 0.000 1.058 725 R CA -0.317 55.644 56.100 -0.231 0.000 0.904 725 R CB 0.742 30.803 30.300 -0.398 0.000 1.089 725 R HN 0.367 nan 8.270 nan 0.000 0.471 726 V N 7.264 127.078 119.914 -0.167 0.000 2.383 726 V HA 0.339 4.481 4.120 0.036 0.000 0.275 726 V C 0.272 176.295 176.094 -0.119 0.000 1.036 726 V CA -0.478 61.742 62.300 -0.133 0.000 0.889 726 V CB 1.103 32.865 31.823 -0.102 0.000 0.985 726 V HN 0.691 nan 8.190 nan 0.000 0.459 727 I N 6.430 126.944 120.570 -0.093 0.000 2.362 727 I HA 0.461 4.653 4.170 0.036 0.000 0.289 727 I C -0.546 175.610 176.117 0.066 0.000 0.994 727 I CA -0.337 60.934 61.300 -0.048 0.000 1.158 727 I CB 1.512 39.471 38.000 -0.069 0.000 1.315 727 I HN 0.352 nan 8.210 nan 0.000 0.451 728 L N 7.846 129.084 121.223 0.025 0.000 2.329 728 L HA 0.639 5.000 4.340 0.036 0.000 0.279 728 L C -0.748 176.004 176.870 -0.196 0.000 1.014 728 L CA -0.710 54.133 54.840 0.005 0.000 0.814 728 L CB 1.428 43.525 42.059 0.063 0.000 1.257 728 L HN 0.609 nan 8.230 nan 0.000 0.424 729 Y N 0.396 120.431 120.300 -0.441 0.000 2.930 729 Y HA 0.522 5.094 4.550 0.036 0.000 0.336 729 Y C -0.039 175.684 175.900 -0.296 0.000 1.416 729 Y CA -0.429 57.222 58.100 -0.749 0.000 1.091 729 Y CB 0.783 38.990 38.460 -0.421 0.000 1.631 729 Y HN 0.451 nan 8.280 nan 0.000 0.436 730 S N -0.414 115.201 115.700 -0.141 0.000 3.026 730 S HA 0.249 4.740 4.470 0.036 0.000 0.169 730 S C 0.063 174.734 174.600 0.119 0.000 0.680 730 S CA 0.373 58.420 58.200 -0.255 0.000 0.826 730 S CB -0.644 62.315 63.200 -0.401 0.000 0.779 730 S HN 0.695 nan 8.310 nan 0.000 0.664 731 T N 3.493 118.161 114.554 0.190 0.000 2.866 731 T HA 0.178 4.550 4.350 0.036 0.000 0.293 731 T C -0.694 174.086 174.700 0.132 0.000 1.005 731 T CA 0.568 62.779 62.100 0.184 0.000 1.162 731 T CB -0.215 68.618 68.868 -0.058 0.000 0.968 731 T HN 0.432 nan 8.240 nan 0.000 0.530 732 D N 2.519 122.942 120.400 0.037 0.000 2.440 732 D HA 0.171 4.833 4.640 0.036 0.000 0.239 732 D C -0.229 175.840 176.300 -0.386 0.000 1.084 732 D CA -0.669 53.384 54.000 0.088 0.000 0.843 732 D CB 0.565 41.686 40.800 0.534 0.000 1.097 732 D HN 0.405 nan 8.370 nan 0.000 0.531 733 F N 2.509 122.061 119.950 -0.663 0.000 2.726 733 F HA 0.111 4.659 4.527 0.036 0.000 0.296 733 F C 1.889 177.519 175.800 -0.282 0.000 1.250 733 F CA 0.189 57.909 58.000 -0.467 0.000 1.434 733 F CB 0.206 38.839 39.000 -0.611 0.000 1.043 733 F HN 0.518 nan 8.300 nan 0.000 0.508 734 E N -1.984 118.068 120.200 -0.248 0.000 2.555 734 E HA 0.032 4.403 4.350 0.036 0.000 0.209 734 E C 0.860 177.017 176.600 -0.738 0.000 0.847 734 E CA 0.334 56.308 56.400 -0.710 0.000 1.438 734 E CB 0.168 29.375 29.700 -0.821 0.000 1.420 734 E HN 0.470 nan 8.360 nan 0.000 0.755 735 H N -0.303 118.573 119.070 -0.323 0.000 2.258 735 H HA 0.192 4.769 4.556 0.036 0.000 0.250 735 H C 0.598 175.658 175.328 -0.448 0.000 0.908 735 H CA 1.021 56.821 56.048 -0.414 0.000 1.096 735 H CB 0.881 30.263 29.762 -0.634 0.000 1.422 735 H HN 0.103 nan 8.280 nan 0.000 0.469 736 T N -0.415 113.939 114.554 -0.332 0.000 2.912 736 T HA 0.447 4.818 4.350 0.036 0.000 0.280 736 T C 0.478 175.016 174.700 -0.270 0.000 0.989 736 T CA -0.835 61.018 62.100 -0.412 0.000 0.995 736 T CB 1.374 69.876 68.868 -0.609 0.000 1.077 736 T HN -0.049 nan 8.240 nan 0.000 0.531 737 V N 1.472 121.244 119.914 -0.236 0.000 3.032 737 V HA 0.157 4.298 4.120 0.036 0.000 0.307 737 V C 0.879 176.964 176.094 -0.015 0.000 1.097 737 V CA 0.100 62.347 62.300 -0.088 0.000 1.191 737 V CB 0.206 32.007 31.823 -0.036 0.000 0.964 737 V HN 0.805 nan 8.190 nan 0.000 0.494 738 R N 2.602 123.117 120.500 0.025 0.000 2.423 738 R HA 0.295 4.657 4.340 0.036 0.000 0.293 738 R C -0.713 175.785 176.300 0.329 0.000 1.196 738 R CA -0.385 55.766 56.100 0.085 0.000 1.262 738 R CB 0.456 30.769 30.300 0.021 0.000 1.116 738 R HN 0.648 nan 8.270 nan 0.000 0.566 739 D N 1.334 121.899 120.400 0.275 0.000 2.280 739 D HA 0.049 4.710 4.640 0.036 0.000 0.236 739 D C -0.341 176.045 176.300 0.143 0.000 1.082 739 D CA -0.410 53.709 54.000 0.199 0.000 0.834 739 D CB 1.251 42.147 40.800 0.160 0.000 1.100 739 D HN 0.207 nan 8.370 nan 0.000 0.486 740 N N 2.965 121.624 118.700 -0.070 0.000 2.380 740 N HA 0.016 4.778 4.740 0.036 0.000 0.255 740 N C 0.016 175.444 175.510 -0.136 0.000 1.158 740 N CA -0.480 52.410 53.050 -0.267 0.000 0.878 740 N CB 0.119 37.974 38.487 -1.052 0.000 1.138 740 N HN 0.432 nan 8.380 nan 0.000 0.509 741 R N -0.047 120.425 120.500 -0.047 0.000 2.738 741 R HA 0.129 4.491 4.340 0.036 0.000 0.268 741 R C -0.538 175.746 176.300 -0.025 0.000 1.062 741 R CA -0.032 56.046 56.100 -0.037 0.000 1.158 741 R CB 0.493 30.782 30.300 -0.019 0.000 1.046 741 R HN -0.015 nan 8.270 nan 0.000 0.493 742 K N 2.123 122.502 120.400 -0.034 0.000 2.171 742 K HA 0.195 4.536 4.320 0.036 0.000 0.274 742 K C -0.901 175.673 176.600 -0.042 0.000 1.110 742 K CA -0.237 56.031 56.287 -0.032 0.000 0.952 742 K CB 0.926 33.404 32.500 -0.037 0.000 1.309 742 K HN 0.310 nan 8.250 nan 0.000 0.414 743 V N 1.643 121.539 119.914 -0.029 0.000 2.914 743 V HA 0.373 4.514 4.120 0.036 0.000 0.314 743 V C -0.148 175.912 176.094 -0.055 0.000 1.084 743 V CA -0.830 61.428 62.300 -0.070 0.000 0.963 743 V CB 2.449 34.221 31.823 -0.084 0.000 1.025 743 V HN 0.546 nan 8.190 nan 0.000 0.432 744 T N 2.371 116.838 114.554 -0.145 0.000 2.841 744 T HA 0.600 4.971 4.350 0.036 0.000 0.285 744 T C -1.327 173.206 174.700 -0.279 0.000 0.991 744 T CA -0.221 61.788 62.100 -0.152 0.000 0.966 744 T CB 0.714 69.496 68.868 -0.143 0.000 0.962 744 T HN 0.390 nan 8.240 nan 0.000 0.438 745 Y N 1.859 121.821 120.300 -0.562 0.000 2.334 745 Y HA 0.539 5.111 4.550 0.036 0.000 0.328 745 Y C 0.741 176.337 175.900 -0.507 0.000 1.130 745 Y CA -0.983 56.743 58.100 -0.624 0.000 1.163 745 Y CB 1.118 38.938 38.460 -1.067 0.000 1.207 745 Y HN 0.542 nan 8.280 nan 0.000 0.471 746 E N 3.530 123.601 120.200 -0.214 0.000 2.256 746 E HA 0.575 4.947 4.350 0.036 0.000 0.268 746 E C -1.664 174.978 176.600 0.069 0.000 0.877 746 E CA -0.511 55.830 56.400 -0.097 0.000 0.757 746 E CB 1.351 30.930 29.700 -0.202 0.000 1.183 746 E HN 0.614 nan 8.360 nan 0.000 0.418 747 I N 2.625 123.354 120.570 0.264 0.000 2.509 747 I HA 0.225 4.416 4.170 0.036 0.000 0.293 747 I C -0.565 175.816 176.117 0.440 0.000 1.020 747 I CA -0.930 60.581 61.300 0.351 0.000 1.088 747 I CB 1.796 39.941 38.000 0.242 0.000 1.267 747 I HN 0.417 nan 8.210 nan 0.000 0.430 748 D N 6.444 127.070 120.400 0.376 0.000 2.441 748 D HA 0.253 4.915 4.640 0.036 0.000 0.221 748 D C 0.874 177.121 176.300 -0.089 0.000 1.156 748 D CA -0.142 53.874 54.000 0.027 0.000 0.896 748 D CB 0.882 41.477 40.800 -0.342 0.000 1.028 748 D HN 0.455 nan 8.370 nan 0.000 0.509 749 L N 2.393 123.554 121.223 -0.103 0.000 2.131 749 L HA -0.168 4.193 4.340 0.036 0.000 0.210 749 L C 2.362 179.150 176.870 -0.137 0.000 1.092 749 L CA 1.225 56.011 54.840 -0.090 0.000 0.759 749 L CB -0.507 41.511 42.059 -0.069 0.000 0.903 749 L HN 0.386 nan 8.230 nan 0.000 0.435 750 S N -1.196 114.373 115.700 -0.219 0.000 2.481 750 S HA -0.121 4.370 4.470 0.036 0.000 0.231 750 S C 1.677 176.179 174.600 -0.163 0.000 0.996 750 S CA 0.525 58.609 58.200 -0.193 0.000 0.942 750 S CB -0.055 63.000 63.200 -0.242 0.000 0.768 750 S HN 0.459 nan 8.310 nan 0.000 0.520 751 Q N 0.769 120.465 119.800 -0.173 0.000 2.247 751 Q HA 0.366 4.728 4.340 0.036 0.000 0.211 751 Q C -0.391 175.557 176.000 -0.088 0.000 0.861 751 Q CA 0.029 55.748 55.803 -0.139 0.000 0.949 751 Q CB 0.898 29.525 28.738 -0.184 0.000 1.115 751 Q HN 0.446 nan 8.270 nan 0.000 0.507 752 S N 0.993 116.647 115.700 -0.076 0.000 2.451 752 S HA 0.495 4.986 4.470 0.036 0.000 0.301 752 S C -0.257 174.312 174.600 -0.052 0.000 1.116 752 S CA -0.466 57.708 58.200 -0.044 0.000 1.093 752 S CB 1.588 64.776 63.200 -0.019 0.000 1.017 752 S HN 0.039 nan 8.310 nan 0.000 0.482 753 K N 1.271 121.641 120.400 -0.050 0.000 2.435 753 K HA 0.550 4.891 4.320 0.036 0.000 0.251 753 K C -1.589 174.968 176.600 -0.072 0.000 0.954 753 K CA -0.925 55.327 56.287 -0.058 0.000 0.820 753 K CB 1.902 34.370 32.500 -0.053 0.000 1.292 753 K HN 0.322 nan 8.250 nan 0.000 0.436 754 L N 3.216 124.393 121.223 -0.077 0.000 2.294 754 L HA 0.427 4.789 4.340 0.036 0.000 0.283 754 L C -1.437 175.382 176.870 -0.085 0.000 1.015 754 L CA -0.474 54.309 54.840 -0.096 0.000 0.831 754 L CB 0.757 42.761 42.059 -0.093 0.000 1.217 754 L HN 0.454 nan 8.230 nan 0.000 0.420 755 I N 6.566 127.079 120.570 -0.094 0.000 2.315 755 I HA 0.363 4.555 4.170 0.036 0.000 0.291 755 I C -0.240 175.830 176.117 -0.078 0.000 1.006 755 I CA 0.184 61.440 61.300 -0.075 0.000 1.265 755 I CB 0.963 38.922 38.000 -0.068 0.000 1.387 755 I HN 0.411 nan 8.210 nan 0.000 0.475 756 I N 8.599 129.133 120.570 -0.059 0.000 2.410 756 I HA 0.354 4.546 4.170 0.036 0.000 0.286 756 I C -2.338 173.761 176.117 -0.031 0.000 1.009 756 I CA -1.983 59.285 61.300 -0.052 0.000 1.111 756 I CB 1.902 39.873 38.000 -0.049 0.000 1.262 756 I HN 0.335 nan 8.210 nan 0.000 0.443 757 P HA 0.250 nan 4.420 nan 0.000 0.276 757 P C -0.841 176.467 177.300 0.013 0.000 1.243 757 P CA 0.059 63.158 63.100 -0.001 0.000 0.768 757 P CB 0.909 32.609 31.700 0.001 0.000 0.856 758 I N -1.063 119.519 120.570 0.020 0.000 2.646 758 I HA 0.578 4.770 4.170 0.036 0.000 0.299 758 I C -0.107 176.036 176.117 0.043 0.000 1.036 758 I CA -1.638 59.678 61.300 0.026 0.000 1.074 758 I CB 2.248 40.253 38.000 0.009 0.000 1.258 758 I HN 0.039 nan 8.210 nan 0.000 0.430 759 E N 3.320 123.551 120.200 0.053 0.000 2.265 759 E HA 0.095 4.467 4.350 0.036 0.000 0.272 759 E C 0.862 177.493 176.600 0.052 0.000 1.067 759 E CA 0.294 56.732 56.400 0.064 0.000 0.900 759 E CB 1.143 30.887 29.700 0.073 0.000 1.017 759 E HN 0.693 nan 8.360 nan 0.000 0.431 760 S N 3.473 119.203 115.700 0.050 0.000 2.370 760 S HA -0.190 4.301 4.470 0.036 0.000 0.226 760 S C 1.459 176.084 174.600 0.043 0.000 1.033 760 S CA 1.504 59.729 58.200 0.041 0.000 1.011 760 S CB -0.253 62.970 63.200 0.039 0.000 0.852 760 S HN 0.681 nan 8.310 nan 0.000 0.457 761 V N -0.454 119.490 119.914 0.050 0.000 0.735 761 V HA -0.360 3.782 4.120 0.036 0.000 0.053 761 V C 0.675 176.794 176.094 0.042 0.000 2.562 761 V CA 1.888 64.218 62.300 0.050 0.000 3.564 761 V CB -1.750 30.106 31.823 0.054 0.000 1.229 761 V HN 0.590 nan 8.190 nan 0.000 1.090 762 K N -0.171 120.251 120.400 0.036 0.000 3.096 762 K HA -0.182 4.160 4.320 0.036 0.000 0.266 762 K C 0.347 176.964 176.600 0.028 0.000 1.043 762 K CA 1.176 57.481 56.287 0.030 0.000 0.758 762 K CB -2.043 30.475 32.500 0.030 0.000 1.260 762 K HN 0.864 nan 8.250 nan 0.000 0.481 763 N N 0.000 118.718 118.700 0.030 0.000 1.763 763 N HA 0.000 4.761 4.740 0.036 0.000 0.220 763 N CA 0.000 53.067 53.050 0.028 0.000 0.885 763 N CB 0.000 38.507 38.487 0.032 0.000 1.341 763 N HN 0.000 nan 8.380 nan 0.000 0.667