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 1w91_1_H DATA FIRST_RESID 4 DATA SEQUENCE VNVPSNGREK FKKNWKFCVG TGRLGLALQK EYLDHLKLVQ EKIGFRYIRG DATA SEQUENCE HGLLSDDVGI YREVEIDGEM KPFYNFTYID RIVDSYLALN IRPFIEFGFM DATA SEQUENCE PKALASGDQT VFYWKGNVTP PKDYNKWRDL IVAVVSHFIE RYGIEEVRTW DATA SEQUENCE LFEVWNEPNL VNFWKDANKQ EYFKLYEVTA RAVKSVDPHL QVGGPAICGG DATA SEQUENCE SDEWITDFLH FCAERRVPVD FVSRHAYTSK APHKKTFEYY YQELEPPEDM DATA SEQUENCE LEQFKTVRAL IRQSPFPHLP LHITEYNTSY SPINPVHDTA LNAAYIARIL DATA SEQUENCE SEGGDYVDSF SYWTFSDVFE EMDVPKALFH GGFGLVALHS IPKPTFHAFT DATA SEQUENCE FFNALGDELL YRDGEMIVTR RKDGSIAAVL WNLVMEKGEG LTKEVQLVIP DATA SEQUENCE VSFSAVFIKR QIVNEQYGNA WRVWKQMGRP RFPSRQAVET LRQVAQPHVM DATA SEQUENCE TEQRRATDGV IHLSIVLSKN EVTLIEIEQV RDETSTYVGL DDGEITSYS 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.901 176.094 -0.322 0.000 1.182 4 V CA 0.000 62.118 62.300 -0.303 0.000 1.235 4 V CB 0.000 31.561 31.823 -0.437 0.000 1.184 5 N N 2.895 121.411 118.700 -0.306 0.000 2.485 5 N HA 0.445 5.185 4.740 0.000 0.000 0.243 5 N C -0.440 174.901 175.510 -0.281 0.000 0.987 5 N CA -0.226 52.676 53.050 -0.247 0.000 0.940 5 N CB 2.400 40.797 38.487 -0.150 0.000 1.122 5 N HN 0.477 nan 8.380 nan 0.000 0.509 6 V N 4.789 124.536 119.914 -0.279 0.000 2.455 6 V HA 0.197 4.317 4.120 0.000 0.000 0.273 6 V C -1.754 174.274 176.094 -0.109 0.000 1.045 6 V CA -1.358 60.811 62.300 -0.218 0.000 0.976 6 V CB 0.769 32.472 31.823 -0.200 0.000 0.993 6 V HN 0.452 nan 8.190 nan 0.000 0.475 7 P HA 0.078 nan 4.420 nan 0.000 0.269 7 P C 0.706 177.987 177.300 -0.032 0.000 1.215 7 P CA -0.042 63.044 63.100 -0.023 0.000 0.780 7 P CB 0.583 32.293 31.700 0.018 0.000 0.898 8 S N -0.061 115.616 115.700 -0.039 0.000 2.548 8 S HA 0.085 4.555 4.470 0.000 0.000 0.215 8 S C 0.476 175.062 174.600 -0.024 0.000 0.976 8 S CA -0.006 58.166 58.200 -0.046 0.000 0.908 8 S CB -0.440 62.720 63.200 -0.066 0.000 0.781 8 S HN 0.364 nan 8.310 nan 0.000 0.519 9 N N 0.618 119.313 118.700 -0.008 0.000 2.314 9 N HA 0.396 5.136 4.740 0.000 0.000 0.294 9 N C 0.668 176.189 175.510 0.019 0.000 1.029 9 N CA -0.039 53.015 53.050 0.005 0.000 0.845 9 N CB 1.930 40.420 38.487 0.004 0.000 1.321 9 N HN 0.251 nan 8.380 nan 0.000 0.481 10 G N 1.096 109.912 108.800 0.027 0.000 2.605 10 G HA2 -0.160 3.800 3.960 0.000 0.000 0.215 10 G HA3 -0.160 3.800 3.960 0.000 0.000 0.215 10 G C 0.881 175.803 174.900 0.037 0.000 1.279 10 G CA 1.540 46.663 45.100 0.038 0.000 0.831 10 G HN 0.863 nan 8.290 nan 0.000 0.560 11 R N -0.975 119.547 120.500 0.037 0.000 1.228 11 R HA -0.173 4.167 4.340 0.000 0.000 0.034 11 R C 0.282 176.607 176.300 0.042 0.000 0.957 11 R CA 1.447 57.567 56.100 0.034 0.000 1.982 11 R CB -1.652 28.665 30.300 0.029 0.000 0.191 11 R HN 0.457 nan 8.270 nan 0.000 0.729 12 E N 2.092 122.321 120.200 0.049 0.000 2.313 12 E HA 0.289 4.639 4.350 0.000 0.000 0.272 12 E C -0.884 175.767 176.600 0.086 0.000 1.038 12 E CA -0.459 55.977 56.400 0.060 0.000 0.863 12 E CB 1.045 30.780 29.700 0.059 0.000 1.060 12 E HN 0.204 nan 8.360 nan 0.000 0.402 13 K N 2.525 122.981 120.400 0.092 0.000 2.143 13 K HA 0.173 4.493 4.320 0.000 0.000 0.272 13 K C -0.635 176.080 176.600 0.192 0.000 1.001 13 K CA -0.562 55.798 56.287 0.122 0.000 0.915 13 K CB 0.769 33.320 32.500 0.085 0.000 1.047 13 K HN 0.335 nan 8.250 nan 0.000 0.458 14 F N 3.841 123.845 119.950 0.090 0.000 2.421 14 F HA 0.173 4.700 4.527 0.000 0.000 0.358 14 F C -0.014 175.896 175.800 0.182 0.000 1.115 14 F CA -0.403 57.673 58.000 0.127 0.000 1.160 14 F CB 0.329 39.406 39.000 0.128 0.000 1.123 14 F HN 0.285 nan 8.300 nan 0.000 0.508 15 K N 5.314 125.483 120.400 -0.385 0.000 2.202 15 K HA 0.151 4.471 4.320 0.000 0.000 0.264 15 K C 0.717 177.136 176.600 -0.302 0.000 1.010 15 K CA -0.332 55.806 56.287 -0.249 0.000 0.940 15 K CB 0.863 33.289 32.500 -0.123 0.000 0.983 15 K HN 0.609 nan 8.250 nan 0.000 0.475 16 K N 1.517 121.846 120.400 -0.118 0.000 2.505 16 K HA -0.017 4.304 4.320 0.000 0.000 0.192 16 K C 0.654 177.098 176.600 -0.260 0.000 1.025 16 K CA 0.064 56.249 56.287 -0.170 0.000 1.086 16 K CB 0.020 32.449 32.500 -0.120 0.000 0.840 16 K HN 0.433 nan 8.250 nan 0.000 0.514 17 N N 1.352 120.003 118.700 -0.082 0.000 2.133 17 N HA -0.239 4.501 4.740 0.000 0.000 0.193 17 N C 1.253 176.698 175.510 -0.108 0.000 1.012 17 N CA 1.452 54.501 53.050 -0.001 0.000 0.871 17 N CB -0.295 38.288 38.487 0.161 0.000 1.011 17 N HN 0.530 nan 8.380 nan 0.000 0.435 18 W N 1.737 122.938 121.300 -0.165 0.000 2.421 18 W HA -0.079 4.581 4.660 0.000 0.000 0.270 18 W C 0.290 176.719 176.519 -0.150 0.000 1.233 18 W CA 0.886 57.962 57.345 -0.449 0.000 1.226 18 W CB -0.440 28.949 29.460 -0.118 0.000 1.121 18 W HN 0.227 nan 8.180 nan 0.000 0.579 19 K N -1.064 118.857 120.400 -0.799 0.000 2.564 19 K HA 0.169 4.489 4.320 0.000 0.000 0.205 19 K C 1.106 177.653 176.600 -0.088 0.000 1.053 19 K CA -0.497 55.481 56.287 -0.514 0.000 1.072 19 K CB -1.042 30.633 32.500 -1.374 0.000 0.822 19 K HN -0.066 nan 8.250 nan 0.000 0.497 20 F N 1.066 120.917 119.950 -0.166 0.000 2.171 20 F HA -0.031 4.496 4.527 0.000 0.000 0.300 20 F C 0.420 176.287 175.800 0.112 0.000 1.090 20 F CA 0.530 58.525 58.000 -0.009 0.000 1.293 20 F CB 0.281 39.292 39.000 0.017 0.000 1.013 20 F HN 0.274 nan 8.300 nan 0.000 0.486 21 C N 0.989 120.418 119.300 0.215 0.000 2.985 21 C HA 0.680 5.140 4.460 0.000 0.000 0.314 21 C C -0.751 174.084 174.990 -0.259 0.000 1.215 21 C CA -0.506 58.513 59.018 0.002 0.000 1.414 21 C CB 0.686 28.509 27.740 0.140 0.000 1.842 21 C HN 0.200 nan 8.230 nan 0.000 0.477 22 V N 2.602 122.160 119.914 -0.593 0.000 3.040 22 V HA 0.982 5.102 4.120 0.000 0.000 0.312 22 V C 0.453 176.298 176.094 -0.414 0.000 1.115 22 V CA -0.112 61.734 62.300 -0.756 0.000 0.998 22 V CB 1.272 32.318 31.823 -1.295 0.000 1.042 22 V HN 1.229 nan 8.190 nan 0.000 0.433 23 G N -0.096 108.536 108.800 -0.281 0.000 2.477 23 G HA2 0.620 4.580 3.960 0.000 0.000 0.304 23 G HA3 0.620 4.580 3.960 0.000 0.000 0.304 23 G C -0.494 174.221 174.900 -0.309 0.000 1.175 23 G CA -0.006 44.986 45.100 -0.181 0.000 0.907 23 G HN 1.141 nan 8.290 nan 0.000 0.509 24 T N -1.417 112.921 114.554 -0.360 0.000 2.864 24 T HA 0.653 5.003 4.350 0.000 0.000 0.299 24 T C 0.675 175.188 174.700 -0.312 0.000 1.166 24 T CA 0.325 62.317 62.100 -0.179 0.000 1.007 24 T CB 1.195 70.205 68.868 0.237 0.000 1.219 24 T HN 0.937 nan 8.240 nan 0.000 0.506 25 G N 1.290 110.064 108.800 -0.044 0.000 2.653 25 G HA2 0.447 4.407 3.960 0.000 0.000 0.265 25 G HA3 0.447 4.407 3.960 0.000 0.000 0.265 25 G C 0.022 174.881 174.900 -0.069 0.000 1.237 25 G CA -0.737 44.350 45.100 -0.021 0.000 0.946 25 G HN 1.071 nan 8.290 nan 0.000 0.522 26 R N -0.599 119.775 120.500 -0.210 0.000 2.758 26 R HA 0.065 4.405 4.340 0.000 0.000 0.263 26 R C 1.067 177.227 176.300 -0.234 0.000 1.010 26 R CA -0.368 55.580 56.100 -0.254 0.000 1.114 26 R CB 0.355 30.202 30.300 -0.754 0.000 0.985 26 R HN 0.355 nan 8.270 nan 0.000 0.439 27 L N 2.082 123.205 121.223 -0.166 0.000 2.127 27 L HA -0.146 4.194 4.340 0.000 0.000 0.211 27 L C 2.456 179.162 176.870 -0.273 0.000 1.089 27 L CA 1.881 56.630 54.840 -0.151 0.000 0.757 27 L CB -0.929 41.099 42.059 -0.052 0.000 0.899 27 L HN 1.095 nan 8.230 nan 0.000 0.434 28 G N -0.048 108.576 108.800 -0.293 0.000 2.470 28 G HA2 -0.189 3.771 3.960 0.000 0.000 0.220 28 G HA3 -0.189 3.771 3.960 0.000 0.000 0.220 28 G C 1.621 176.295 174.900 -0.377 0.000 1.121 28 G CA 0.247 45.160 45.100 -0.312 0.000 0.766 28 G HN 0.281 nan 8.290 nan 0.000 0.553 29 L N 0.497 121.486 121.223 -0.391 0.000 2.376 29 L HA 0.063 4.403 4.340 0.000 0.000 0.219 29 L C 3.140 179.623 176.870 -0.644 0.000 1.133 29 L CA 0.508 55.122 54.840 -0.377 0.000 0.816 29 L CB -0.190 41.735 42.059 -0.224 0.000 0.933 29 L HN 0.287 nan 8.230 nan 0.000 0.449 30 A N 0.045 122.294 122.820 -0.952 0.000 2.178 30 A HA -0.093 4.227 4.320 0.000 0.000 0.218 30 A C 2.121 179.333 177.584 -0.620 0.000 1.157 30 A CA 0.978 52.230 52.037 -1.309 0.000 0.689 30 A CB -0.501 17.934 19.000 -0.942 0.000 0.787 30 A HN 0.427 nan 8.150 nan 0.000 0.465 31 L N -0.734 120.206 121.223 -0.472 0.000 2.395 31 L HA -0.051 4.289 4.340 0.000 0.000 0.218 31 L C 0.914 177.645 176.870 -0.232 0.000 1.130 31 L CA 0.153 54.786 54.840 -0.345 0.000 0.826 31 L CB -0.322 41.477 42.059 -0.434 0.000 0.941 31 L HN 0.451 nan 8.230 nan 0.000 0.451 32 Q N 0.613 120.287 119.800 -0.210 0.000 2.332 32 Q HA -0.058 4.282 4.340 0.000 0.000 0.263 32 Q C 0.871 176.840 176.000 -0.053 0.000 0.979 32 Q CA -0.084 55.649 55.803 -0.116 0.000 0.885 32 Q CB 1.305 29.985 28.738 -0.097 0.000 1.218 32 Q HN -0.028 nan 8.270 nan 0.000 0.405 33 K N 2.650 123.018 120.400 -0.053 0.000 2.063 33 K HA -0.267 4.053 4.320 0.000 0.000 0.208 33 K C 1.601 178.178 176.600 -0.039 0.000 1.048 33 K CA 1.956 58.224 56.287 -0.031 0.000 0.928 33 K CB 0.072 32.553 32.500 -0.032 0.000 0.713 33 K HN 0.582 nan 8.250 nan 0.000 0.442 34 E N -0.592 119.551 120.200 -0.095 0.000 2.077 34 E HA -0.212 4.138 4.350 0.000 0.000 0.193 34 E C 1.899 178.295 176.600 -0.340 0.000 0.989 34 E CA 1.468 57.735 56.400 -0.222 0.000 0.800 34 E CB -0.527 29.017 29.700 -0.259 0.000 0.746 34 E HN 0.511 nan 8.360 nan 0.000 0.452 35 Y N 0.418 120.544 120.300 -0.291 0.000 2.128 35 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 35 Y C 1.825 177.741 175.900 0.026 0.000 1.154 35 Y CA 1.938 59.951 58.100 -0.145 0.000 1.149 35 Y CB -0.068 38.362 38.460 -0.050 0.000 0.976 35 Y HN 0.058 nan 8.280 nan 0.000 0.505 36 L N -0.257 121.124 121.223 0.262 0.000 2.141 36 L HA -0.198 4.143 4.340 0.000 0.000 0.209 36 L C 2.007 178.937 176.870 0.100 0.000 1.094 36 L CA 1.125 56.076 54.840 0.186 0.000 0.763 36 L CB -0.587 41.543 42.059 0.118 0.000 0.908 36 L HN 0.213 nan 8.230 nan 0.000 0.437 37 D N -0.439 119.999 120.400 0.064 0.000 2.104 37 D HA -0.196 4.444 4.640 0.000 0.000 0.194 37 D C 2.056 178.474 176.300 0.196 0.000 0.994 37 D CA 1.525 55.581 54.000 0.095 0.000 0.830 37 D CB -0.355 40.497 40.800 0.087 0.000 0.959 37 D HN 0.501 nan 8.370 nan 0.000 0.452 38 H N 0.041 119.145 119.070 0.057 0.000 2.387 38 H HA 0.001 4.557 4.556 0.000 0.000 0.299 38 H C 2.353 177.793 175.328 0.186 0.000 1.090 38 H CA 0.067 56.175 56.048 0.100 0.000 1.332 38 H CB 0.212 30.009 29.762 0.059 0.000 1.386 38 H HN 0.058 nan 8.280 nan 0.000 0.516 39 L N 1.246 122.607 121.223 0.231 0.000 2.027 39 L HA -0.196 4.144 4.340 0.000 0.000 0.206 39 L C 2.578 179.400 176.870 -0.081 0.000 1.074 39 L CA 1.397 56.111 54.840 -0.211 0.000 0.745 39 L CB -0.308 41.553 42.059 -0.330 0.000 0.898 39 L HN 0.240 nan 8.230 nan 0.000 0.433 40 K N 0.079 120.484 120.400 0.008 0.000 2.044 40 K HA -0.257 4.063 4.320 0.000 0.000 0.210 40 K C 2.188 178.816 176.600 0.045 0.000 1.049 40 K CA 1.570 57.867 56.287 0.018 0.000 0.927 40 K CB -0.212 32.309 32.500 0.035 0.000 0.713 40 K HN 0.317 nan 8.250 nan 0.000 0.443 41 L N 0.969 122.244 121.223 0.087 0.000 2.012 41 L HA -0.180 4.160 4.340 0.000 0.000 0.210 41 L C 2.239 179.229 176.870 0.200 0.000 1.073 41 L CA 1.419 56.333 54.840 0.122 0.000 0.748 41 L CB -0.240 41.867 42.059 0.079 0.000 0.891 41 L HN 0.127 nan 8.230 nan 0.000 0.431 42 V N -0.354 119.682 119.914 0.204 0.000 2.427 42 V HA -0.242 3.878 4.120 0.000 0.000 0.248 42 V C 2.559 178.673 176.094 0.033 0.000 1.051 42 V CA 1.337 63.762 62.300 0.209 0.000 1.048 42 V CB -0.401 31.557 31.823 0.224 0.000 0.666 42 V HN 0.515 nan 8.190 nan 0.000 0.456 43 Q N -0.178 119.612 119.800 -0.017 0.000 2.119 43 Q HA -0.178 4.162 4.340 0.000 0.000 0.201 43 Q C 2.177 178.145 176.000 -0.054 0.000 0.972 43 Q CA 1.391 57.151 55.803 -0.072 0.000 0.847 43 Q CB -0.195 28.482 28.738 -0.101 0.000 0.903 43 Q HN 0.729 nan 8.270 nan 0.000 0.433 44 E N 0.320 120.519 120.200 -0.002 0.000 2.047 44 E HA -0.128 4.222 4.350 0.000 0.000 0.191 44 E C 1.814 178.426 176.600 0.020 0.000 0.987 44 E CA 0.792 57.202 56.400 0.016 0.000 0.799 44 E CB 0.157 29.887 29.700 0.051 0.000 0.752 44 E HN 0.075 nan 8.360 nan 0.000 0.449 45 K N -0.151 120.275 120.400 0.043 0.000 2.314 45 K HA 0.124 4.444 4.320 0.000 0.000 0.198 45 K C 1.797 178.347 176.600 -0.084 0.000 1.045 45 K CA 0.651 56.953 56.287 0.025 0.000 0.988 45 K CB 0.553 33.125 32.500 0.120 0.000 0.783 45 K HN 0.207 nan 8.250 nan 0.000 0.484 46 I N -1.360 119.107 120.570 -0.173 0.000 3.650 46 I HA 0.139 4.309 4.170 0.000 0.000 0.261 46 I C 0.433 176.304 176.117 -0.409 0.000 1.154 46 I CA 0.385 61.492 61.300 -0.321 0.000 1.418 46 I CB 0.412 38.081 38.000 -0.552 0.000 1.539 46 I HN 0.142 nan 8.210 nan 0.000 0.449 47 G N 2.393 110.951 108.800 -0.403 0.000 2.545 47 G HA2 -0.216 3.744 3.960 0.000 0.000 0.279 47 G HA3 -0.216 3.744 3.960 0.000 0.000 0.279 47 G C -0.256 174.368 174.900 -0.461 0.000 1.131 47 G CA -0.578 44.319 45.100 -0.339 0.000 1.100 47 G HN 0.094 nan 8.290 nan 0.000 0.525 48 F N -0.255 119.512 119.950 -0.305 0.000 2.450 48 F HA 0.434 4.961 4.527 0.000 0.000 0.339 48 F C 2.101 177.648 175.800 -0.422 0.000 1.146 48 F CA -0.444 57.339 58.000 -0.362 0.000 1.267 48 F CB 0.630 39.412 39.000 -0.364 0.000 1.178 48 F HN 0.114 nan 8.300 nan 0.000 0.585 49 R N 0.887 121.214 120.500 -0.288 0.000 2.100 49 R HA 0.033 4.373 4.340 0.000 0.000 0.220 49 R C -0.599 175.111 176.300 -0.982 0.000 1.091 49 R CA 0.913 56.644 56.100 -0.614 0.000 0.986 49 R CB -0.027 29.869 30.300 -0.675 0.000 0.888 49 R HN 0.505 nan 8.270 nan 0.000 0.444 50 Y N -0.610 119.377 120.300 -0.522 0.000 2.570 50 Y HA 0.525 5.075 4.550 0.000 0.000 0.345 50 Y C -0.405 175.205 175.900 -0.483 0.000 1.014 50 Y CA -1.015 56.767 58.100 -0.530 0.000 1.063 50 Y CB 2.077 40.221 38.460 -0.527 0.000 1.272 50 Y HN -0.153 nan 8.280 nan 0.000 0.477 51 I N 2.354 122.702 120.570 -0.369 0.000 2.619 51 I HA 0.511 4.681 4.170 0.000 0.000 0.292 51 I C -1.400 174.554 176.117 -0.272 0.000 1.100 51 I CA -0.825 60.209 61.300 -0.443 0.000 1.043 51 I CB 1.221 38.767 38.000 -0.757 0.000 1.239 51 I HN 0.532 nan 8.210 nan 0.000 0.420 52 R N 5.604 125.984 120.500 -0.201 0.000 2.451 52 R HA 0.721 5.061 4.340 0.000 0.000 0.307 52 R C -1.273 175.014 176.300 -0.022 0.000 0.965 52 R CA -0.538 55.486 56.100 -0.127 0.000 0.865 52 R CB 1.633 31.760 30.300 -0.288 0.000 1.174 52 R HN 0.871 nan 8.270 nan 0.000 0.455 53 G N 2.739 111.545 108.800 0.010 0.000 2.660 53 G HA2 0.428 4.388 3.960 0.000 0.000 0.294 53 G HA3 0.428 4.388 3.960 0.000 0.000 0.294 53 G C -1.065 173.872 174.900 0.062 0.000 1.369 53 G CA -0.490 44.632 45.100 0.037 0.000 0.912 53 G HN 0.558 nan 8.290 nan 0.000 0.479 54 H N -0.668 118.529 119.070 0.211 0.000 2.534 54 H HA 0.495 5.051 4.556 0.000 0.000 0.364 54 H C 1.448 176.787 175.328 0.017 0.000 1.328 54 H CA 0.430 56.533 56.048 0.092 0.000 1.415 54 H CB 1.150 31.110 29.762 0.331 0.000 1.573 54 H HN 1.369 nan 8.280 nan 0.000 0.601 55 G N 0.128 108.998 108.800 0.117 0.000 2.143 55 G HA2 -0.298 3.662 3.960 0.000 0.000 0.249 55 G HA3 -0.298 3.662 3.960 0.000 0.000 0.249 55 G C 1.153 176.105 174.900 0.088 0.000 0.981 55 G CA 0.563 45.717 45.100 0.090 0.000 0.665 55 G HN 0.575 nan 8.290 nan 0.000 0.528 56 L N -0.110 121.185 121.223 0.121 0.000 2.051 56 L HA 0.039 4.379 4.340 0.000 0.000 0.214 56 L C 2.212 179.223 176.870 0.235 0.000 1.076 56 L CA 2.770 57.723 54.840 0.188 0.000 0.758 56 L CB -0.191 42.015 42.059 0.245 0.000 0.890 56 L HN 0.445 nan 8.230 nan 0.000 0.433 57 L N -1.426 119.958 121.223 0.268 0.000 2.728 57 L HA 0.231 4.571 4.340 0.000 0.000 0.238 57 L C 0.913 177.973 176.870 0.316 0.000 1.143 57 L CA -0.416 54.604 54.840 0.300 0.000 0.937 57 L CB -0.071 42.201 42.059 0.355 0.000 1.225 57 L HN 0.016 nan 8.230 nan 0.000 0.507 58 S N -0.255 115.623 115.700 0.297 0.000 2.645 58 S HA 0.093 4.563 4.470 0.000 0.000 0.266 58 S C 0.747 175.496 174.600 0.248 0.000 1.258 58 S CA -0.549 57.855 58.200 0.340 0.000 0.990 58 S CB 1.065 64.557 63.200 0.486 0.000 0.967 58 S HN 0.183 nan 8.310 nan 0.000 0.556 59 D N 0.990 121.538 120.400 0.247 0.000 2.323 59 D HA -0.075 4.565 4.640 0.000 0.000 0.209 59 D C 1.384 177.773 176.300 0.149 0.000 0.973 59 D CA 0.497 54.613 54.000 0.193 0.000 0.874 59 D CB -0.086 40.825 40.800 0.184 0.000 0.930 59 D HN 0.630 nan 8.370 nan 0.000 0.521 60 D N 0.733 121.209 120.400 0.126 0.000 2.183 60 D HA -0.108 4.532 4.640 0.000 0.000 0.203 60 D C 2.022 178.434 176.300 0.187 0.000 0.969 60 D CA 0.443 54.508 54.000 0.108 0.000 0.842 60 D CB -0.464 40.344 40.800 0.012 0.000 0.957 60 D HN 0.054 nan 8.370 nan 0.000 0.484 61 V N 0.540 120.547 119.914 0.155 0.000 2.626 61 V HA 0.049 4.169 4.120 0.000 0.000 0.252 61 V C 2.114 178.347 176.094 0.232 0.000 1.067 61 V CA 1.503 63.941 62.300 0.230 0.000 1.081 61 V CB -0.893 31.016 31.823 0.143 0.000 0.686 61 V HN 0.610 nan 8.190 nan 0.000 0.468 62 G N -0.472 108.420 108.800 0.153 0.000 2.143 62 G HA2 -0.290 3.670 3.960 0.000 0.000 0.249 62 G HA3 -0.290 3.670 3.960 0.000 0.000 0.249 62 G C 0.667 175.581 174.900 0.024 0.000 0.981 62 G CA 0.536 45.677 45.100 0.069 0.000 0.665 62 G HN 0.448 nan 8.290 nan 0.000 0.528 63 I N -0.995 119.610 120.570 0.057 0.000 2.142 63 I HA -0.016 4.154 4.170 0.000 0.000 0.240 63 I C 1.484 177.612 176.117 0.020 0.000 1.078 63 I CA 1.133 62.411 61.300 -0.035 0.000 1.343 63 I CB -0.100 37.911 38.000 0.019 0.000 1.046 63 I HN 0.309 nan 8.210 nan 0.000 0.405 64 Y N 3.204 123.522 120.300 0.031 0.000 2.367 64 Y HA 0.415 4.965 4.550 0.000 0.000 0.342 64 Y C -0.066 175.845 175.900 0.018 0.000 0.979 64 Y CA -0.728 57.394 58.100 0.038 0.000 1.161 64 Y CB 0.190 38.718 38.460 0.114 0.000 1.155 64 Y HN -0.037 nan 8.280 nan 0.000 0.503 65 R N 4.332 124.488 120.500 -0.572 0.000 2.854 65 R HA 0.391 4.731 4.340 0.000 0.000 0.271 65 R C -1.141 174.777 176.300 -0.635 0.000 0.994 65 R CA -1.070 54.779 56.100 -0.420 0.000 0.945 65 R CB 1.971 32.179 30.300 -0.153 0.000 1.194 65 R HN 0.767 nan 8.270 nan 0.000 0.476 66 E N 0.554 120.541 120.200 -0.354 0.000 2.183 66 E HA 0.489 4.839 4.350 0.000 0.000 0.271 66 E C -1.041 175.464 176.600 -0.158 0.000 0.919 66 E CA -0.780 55.474 56.400 -0.242 0.000 0.781 66 E CB 2.642 32.275 29.700 -0.112 0.000 1.140 66 E HN 0.028 nan 8.360 nan 0.000 0.402 67 V N 2.803 122.632 119.914 -0.141 0.000 2.638 67 V HA 0.145 4.265 4.120 0.000 0.000 0.306 67 V C -0.795 175.242 176.094 -0.096 0.000 1.052 67 V CA -0.655 61.560 62.300 -0.140 0.000 0.885 67 V CB 2.041 33.753 31.823 -0.185 0.000 0.999 67 V HN 0.672 nan 8.190 nan 0.000 0.424 68 E N 5.073 125.222 120.200 -0.086 0.000 2.129 68 E HA 0.471 4.821 4.350 0.000 0.000 0.283 68 E C -0.642 175.922 176.600 -0.060 0.000 1.080 68 E CA -0.308 56.055 56.400 -0.061 0.000 0.867 68 E CB 0.647 30.315 29.700 -0.053 0.000 1.056 68 E HN 0.623 nan 8.360 nan 0.000 0.404 69 I N 2.166 122.709 120.570 -0.045 0.000 2.439 69 I HA 0.499 4.669 4.170 0.000 0.000 0.285 69 I C 0.204 176.305 176.117 -0.025 0.000 1.021 69 I CA -0.889 60.388 61.300 -0.038 0.000 1.091 69 I CB 1.503 39.483 38.000 -0.032 0.000 1.242 69 I HN 0.498 nan 8.210 nan 0.000 0.439 70 D N 4.927 125.312 120.400 -0.024 0.000 3.771 70 D HA -0.264 4.376 4.640 0.000 0.000 0.145 70 D C 1.457 177.747 176.300 -0.017 0.000 0.892 70 D CA 2.557 56.547 54.000 -0.018 0.000 1.080 70 D CB -0.851 39.942 40.800 -0.012 0.000 0.498 70 D HN 0.938 nan 8.370 nan 0.000 0.499 71 G N 0.474 109.266 108.800 -0.012 0.000 2.712 71 G HA2 0.150 4.110 3.960 0.000 0.000 0.212 71 G HA3 0.150 4.110 3.960 0.000 0.000 0.212 71 G C 0.130 175.024 174.900 -0.010 0.000 1.142 71 G CA 1.187 46.281 45.100 -0.010 0.000 0.789 71 G HN 0.620 nan 8.290 nan 0.000 0.535 72 E N 0.127 120.320 120.200 -0.012 0.000 2.288 72 E HA 0.545 4.895 4.350 0.000 0.000 0.268 72 E C -0.670 175.921 176.600 -0.015 0.000 0.885 72 E CA -1.248 55.147 56.400 -0.008 0.000 0.767 72 E CB 1.414 31.113 29.700 -0.002 0.000 1.220 72 E HN -0.209 nan 8.360 nan 0.000 0.427 73 M N 2.304 121.897 119.600 -0.011 0.000 2.219 73 M HA 0.263 4.743 4.480 0.000 0.000 0.353 73 M C -0.340 175.950 176.300 -0.017 0.000 1.304 73 M CA 0.164 55.453 55.300 -0.018 0.000 1.115 73 M CB -0.291 32.305 32.600 -0.006 0.000 1.664 73 M HN 0.429 nan 8.290 nan 0.000 0.459 74 K N 4.116 124.491 120.400 -0.040 0.000 2.375 74 K HA 0.643 4.963 4.320 0.000 0.000 0.249 74 K C -2.605 173.929 176.600 -0.111 0.000 0.942 74 K CA -1.877 54.383 56.287 -0.044 0.000 0.806 74 K CB 1.659 34.141 32.500 -0.030 0.000 1.227 74 K HN 0.292 nan 8.250 nan 0.000 0.430 75 P HA 0.214 nan 4.420 nan 0.000 0.276 75 P C -0.888 176.099 177.300 -0.521 0.000 1.230 75 P CA -0.177 62.692 63.100 -0.386 0.000 0.776 75 P CB 0.310 31.855 31.700 -0.258 0.000 0.888 76 F N 3.857 123.312 119.950 -0.825 0.000 2.518 76 F HA 0.445 4.972 4.527 0.000 0.000 0.323 76 F C -1.198 174.120 175.800 -0.803 0.000 1.129 76 F CA -1.035 56.556 58.000 -0.680 0.000 0.920 76 F CB 1.340 40.099 39.000 -0.401 0.000 1.160 76 F HN 0.192 nan 8.300 nan 0.000 0.440 77 Y N 4.801 124.472 120.300 -1.048 0.000 2.385 77 Y HA 0.285 4.835 4.550 0.000 0.000 0.341 77 Y C 0.113 175.185 175.900 -1.380 0.000 0.965 77 Y CA -0.794 56.700 58.100 -1.011 0.000 1.180 77 Y CB 0.633 38.618 38.460 -0.791 0.000 1.139 77 Y HN 0.499 nan 8.280 nan 0.000 0.502 78 N N 3.729 121.945 118.700 -0.807 0.000 2.457 78 N HA 0.189 4.930 4.740 0.000 0.000 0.250 78 N C -0.704 174.438 175.510 -0.614 0.000 0.982 78 N CA -0.378 52.364 53.050 -0.513 0.000 0.941 78 N CB 0.328 38.763 38.487 -0.087 0.000 1.120 78 N HN 0.551 nan 8.380 nan 0.000 0.505 79 F N 1.058 120.900 119.950 -0.181 0.000 2.641 79 F HA 0.150 4.678 4.527 0.000 0.000 0.302 79 F C 2.015 177.806 175.800 -0.015 0.000 1.098 79 F CA -0.275 57.610 58.000 -0.193 0.000 1.318 79 F CB 0.340 38.953 39.000 -0.646 0.000 1.035 79 F HN 0.353 nan 8.300 nan 0.000 0.551 80 T N -0.331 114.271 114.554 0.081 0.000 2.635 80 T HA -0.253 4.097 4.350 0.000 0.000 0.267 80 T C 1.607 176.432 174.700 0.209 0.000 1.040 80 T CA 1.833 63.985 62.100 0.086 0.000 1.156 80 T CB -0.353 68.464 68.868 -0.086 0.000 0.863 80 T HN 0.187 nan 8.240 nan 0.000 0.430 81 Y N 1.319 121.663 120.300 0.073 0.000 2.206 81 Y HA 0.068 4.618 4.550 0.000 0.000 0.292 81 Y C 2.318 178.263 175.900 0.073 0.000 1.123 81 Y CA -0.364 57.763 58.100 0.045 0.000 1.142 81 Y CB -1.135 37.332 38.460 0.012 0.000 1.006 81 Y HN 0.265 nan 8.280 nan 0.000 0.518 82 I N -0.982 119.778 120.570 0.316 0.000 2.493 82 I HA -0.165 4.005 4.170 0.000 0.000 0.254 82 I C 1.691 178.015 176.117 0.346 0.000 1.160 82 I CA 1.159 62.643 61.300 0.306 0.000 1.445 82 I CB -0.979 37.301 38.000 0.467 0.000 1.086 82 I HN -0.085 nan 8.210 nan 0.000 0.433 83 D N 1.227 121.865 120.400 0.397 0.000 2.104 83 D HA -0.186 4.454 4.640 0.000 0.000 0.194 83 D C 2.302 178.754 176.300 0.252 0.000 0.994 83 D CA 1.228 55.465 54.000 0.395 0.000 0.830 83 D CB -0.327 40.682 40.800 0.348 0.000 0.959 83 D HN 0.341 nan 8.370 nan 0.000 0.452 84 R N 0.161 120.766 120.500 0.175 0.000 2.091 84 R HA -0.091 4.249 4.340 0.000 0.000 0.238 84 R C 2.363 178.640 176.300 -0.037 0.000 1.136 84 R CA 0.915 57.062 56.100 0.077 0.000 0.959 84 R CB -0.231 30.113 30.300 0.073 0.000 0.856 84 R HN 0.220 nan 8.270 nan 0.000 0.437 85 I N -0.219 120.293 120.570 -0.098 0.000 2.193 85 I HA -0.218 3.952 4.170 0.000 0.000 0.240 85 I C 2.202 178.006 176.117 -0.523 0.000 1.084 85 I CA 0.821 61.906 61.300 -0.359 0.000 1.365 85 I CB -0.116 37.667 38.000 -0.361 0.000 1.064 85 I HN -0.000 nan 8.210 nan 0.000 0.410 86 V N 0.713 120.468 119.914 -0.265 0.000 2.427 86 V HA -0.265 3.855 4.120 0.000 0.000 0.248 86 V C 2.007 178.001 176.094 -0.167 0.000 1.051 86 V CA 1.784 63.908 62.300 -0.293 0.000 1.048 86 V CB -0.728 30.957 31.823 -0.231 0.000 0.666 86 V HN 0.372 nan 8.190 nan 0.000 0.456 87 D N 0.707 121.136 120.400 0.048 0.000 2.104 87 D HA -0.160 4.480 4.640 0.000 0.000 0.194 87 D C 2.456 178.760 176.300 0.005 0.000 0.994 87 D CA 1.955 56.023 54.000 0.112 0.000 0.830 87 D CB -0.329 40.559 40.800 0.147 0.000 0.959 87 D HN 0.600 nan 8.370 nan 0.000 0.452 88 S N -0.497 115.160 115.700 -0.072 0.000 2.402 88 S HA -0.175 4.295 4.470 0.000 0.000 0.229 88 S C 2.048 176.647 174.600 -0.002 0.000 1.021 88 S CA 0.498 58.661 58.200 -0.061 0.000 0.974 88 S CB -0.586 62.558 63.200 -0.092 0.000 0.800 88 S HN 0.145 nan 8.310 nan 0.000 0.484 89 Y N 2.330 122.548 120.300 -0.137 0.000 2.070 89 Y HA 0.053 4.603 4.550 0.000 0.000 0.280 89 Y C 2.447 178.218 175.900 -0.215 0.000 1.148 89 Y CA 0.380 58.353 58.100 -0.212 0.000 1.125 89 Y CB -1.147 37.122 38.460 -0.319 0.000 0.975 89 Y HN 0.229 nan 8.280 nan 0.000 0.492 90 L N -0.756 120.452 121.223 -0.025 0.000 2.079 90 L HA -0.239 4.101 4.340 0.000 0.000 0.210 90 L C 2.577 179.426 176.870 -0.034 0.000 1.081 90 L CA 1.219 56.019 54.840 -0.068 0.000 0.752 90 L CB -0.979 41.047 42.059 -0.054 0.000 0.896 90 L HN 0.181 nan 8.230 nan 0.000 0.433 91 A N -0.149 122.667 122.820 -0.007 0.000 2.015 91 A HA -0.083 4.238 4.320 0.000 0.000 0.219 91 A C 2.000 179.572 177.584 -0.020 0.000 1.163 91 A CA 1.142 53.177 52.037 -0.003 0.000 0.646 91 A CB -0.414 18.592 19.000 0.009 0.000 0.806 91 A HN 0.426 nan 8.150 nan 0.000 0.448 92 L N -0.566 120.639 121.223 -0.031 0.000 2.685 92 L HA 0.117 4.457 4.340 0.000 0.000 0.233 92 L C -0.103 176.704 176.870 -0.106 0.000 1.173 92 L CA -0.253 54.553 54.840 -0.057 0.000 0.961 92 L CB -0.282 41.745 42.059 -0.052 0.000 1.217 92 L HN 0.361 nan 8.230 nan 0.000 0.478 93 N N 0.760 119.393 118.700 -0.112 0.000 2.747 93 N HA -0.209 4.531 4.740 0.000 0.000 0.249 93 N C -0.336 175.026 175.510 -0.247 0.000 1.107 93 N CA 0.959 53.915 53.050 -0.156 0.000 0.707 93 N CB -1.222 37.184 38.487 -0.135 0.000 1.054 93 N HN 0.400 nan 8.380 nan 0.000 0.555 94 I N -0.035 120.365 120.570 -0.284 0.000 2.689 94 I HA 0.412 4.582 4.170 0.000 0.000 0.299 94 I C -0.462 175.339 176.117 -0.526 0.000 1.059 94 I CA -0.786 60.249 61.300 -0.442 0.000 1.055 94 I CB 1.358 39.079 38.000 -0.465 0.000 1.243 94 I HN -0.120 nan 8.210 nan 0.000 0.425 95 R N 6.142 126.205 120.500 -0.729 0.000 2.711 95 R HA 0.521 4.862 4.340 0.000 0.000 0.284 95 R C -2.737 173.092 176.300 -0.785 0.000 0.968 95 R CA -2.019 53.598 56.100 -0.804 0.000 0.924 95 R CB 1.401 31.184 30.300 -0.862 0.000 1.162 95 R HN 0.309 nan 8.270 nan 0.000 0.465 96 P HA 0.104 nan 4.420 nan 0.000 0.276 96 P C -0.811 176.198 177.300 -0.486 0.000 1.230 96 P CA -0.078 62.585 63.100 -0.729 0.000 0.776 96 P CB 0.274 31.440 31.700 -0.889 0.000 0.888 97 F N 4.580 124.289 119.950 -0.402 0.000 2.351 97 F HA 0.245 4.772 4.527 0.000 0.000 0.362 97 F C 0.399 175.999 175.800 -0.334 0.000 1.131 97 F CA -1.047 56.728 58.000 -0.376 0.000 1.187 97 F CB 0.139 38.951 39.000 -0.315 0.000 1.434 97 F HN 0.109 nan 8.300 nan 0.000 0.553 98 I N 4.191 124.614 120.570 -0.244 0.000 2.710 98 I HA -0.003 4.167 4.170 0.000 0.000 0.286 98 I C 0.277 176.381 176.117 -0.022 0.000 1.181 98 I CA 0.468 61.638 61.300 -0.217 0.000 1.430 98 I CB 0.867 38.616 38.000 -0.418 0.000 1.367 98 I HN 0.587 nan 8.210 nan 0.000 0.577 99 E N 6.896 127.097 120.200 0.001 0.000 2.216 99 E HA 0.283 4.633 4.350 0.000 0.000 0.260 99 E C -1.444 175.239 176.600 0.138 0.000 0.880 99 E CA -0.547 55.916 56.400 0.105 0.000 0.765 99 E CB 0.945 30.731 29.700 0.143 0.000 1.174 99 E HN 0.327 nan 8.360 nan 0.000 0.417 100 F N 3.578 123.743 119.950 0.359 0.000 2.439 100 F HA 0.461 4.988 4.527 0.000 0.000 0.356 100 F C 1.051 177.106 175.800 0.425 0.000 1.161 100 F CA 0.372 58.610 58.000 0.396 0.000 1.151 100 F CB 1.112 40.391 39.000 0.464 0.000 1.222 100 F HN 0.597 nan 8.300 nan 0.000 0.558 101 G N 2.326 111.369 108.800 0.406 0.000 2.313 101 G HA2 0.278 4.238 3.960 0.000 0.000 0.296 101 G HA3 0.278 4.238 3.960 0.000 0.000 0.296 101 G C -1.181 173.681 174.900 -0.063 0.000 1.356 101 G CA -0.989 44.159 45.100 0.080 0.000 0.833 101 G HN 0.197 nan 8.290 nan 0.000 0.552 102 F N -0.074 119.998 119.950 0.203 0.000 2.173 102 F HA 0.648 5.175 4.527 0.000 0.000 0.219 102 F C 1.566 177.648 175.800 0.470 0.000 0.794 102 F CA -0.303 57.697 58.000 0.001 0.000 1.131 102 F CB 0.283 39.271 39.000 -0.019 0.000 2.087 102 F HN 0.065 nan 8.300 nan 0.000 0.628 103 M N 1.835 121.929 119.600 0.823 0.000 2.157 103 M HA 0.289 4.769 4.480 0.000 0.000 0.354 103 M C -2.461 174.120 176.300 0.469 0.000 1.170 103 M CA -1.843 53.865 55.300 0.679 0.000 1.060 103 M CB 1.004 33.924 32.600 0.534 0.000 1.615 103 M HN -0.002 nan 8.290 nan 0.000 0.460 104 P HA 0.055 nan 4.420 nan 0.000 0.266 104 P C 0.455 177.915 177.300 0.267 0.000 1.195 104 P CA 0.043 63.340 63.100 0.328 0.000 0.768 104 P CB 0.612 32.503 31.700 0.319 0.000 0.838 105 K N 2.951 123.495 120.400 0.241 0.000 2.044 105 K HA -0.227 4.093 4.320 0.000 0.000 0.210 105 K C 1.670 178.373 176.600 0.170 0.000 1.049 105 K CA 1.980 58.374 56.287 0.179 0.000 0.927 105 K CB -0.531 32.058 32.500 0.148 0.000 0.713 105 K HN 0.509 nan 8.250 nan 0.000 0.443 106 A N 0.460 123.417 122.820 0.228 0.000 2.209 106 A HA -0.037 4.283 4.320 0.000 0.000 0.212 106 A C 1.756 179.484 177.584 0.240 0.000 1.158 106 A CA 0.762 52.947 52.037 0.245 0.000 0.742 106 A CB -0.101 19.080 19.000 0.301 0.000 0.790 106 A HN 0.365 nan 8.150 nan 0.000 0.472 107 L N -1.479 119.841 121.223 0.161 0.000 2.664 107 L HA 0.328 4.668 4.340 0.000 0.000 0.233 107 L C 1.220 178.116 176.870 0.043 0.000 1.113 107 L CA -0.027 54.840 54.840 0.045 0.000 0.896 107 L CB 0.072 42.064 42.059 -0.111 0.000 1.163 107 L HN 0.356 nan 8.230 nan 0.000 0.497 108 A N -0.252 122.613 122.820 0.076 0.000 2.498 108 A HA 0.161 4.481 4.320 0.000 0.000 0.239 108 A C 1.308 178.891 177.584 -0.001 0.000 1.068 108 A CA 0.556 52.621 52.037 0.047 0.000 0.766 108 A CB 0.395 19.441 19.000 0.077 0.000 1.003 108 A HN 0.421 nan 8.150 nan 0.000 0.497 109 S N 1.456 117.129 115.700 -0.047 0.000 2.524 109 S HA 0.428 4.898 4.470 0.000 0.000 0.216 109 S C 0.856 175.423 174.600 -0.054 0.000 0.987 109 S CA 0.425 58.590 58.200 -0.059 0.000 0.909 109 S CB -0.115 63.028 63.200 -0.094 0.000 0.781 109 S HN 1.575 nan 8.310 nan 0.000 0.521 110 G N 0.091 108.860 108.800 -0.052 0.000 2.782 110 G HA2 0.506 4.466 3.960 0.000 0.000 0.304 110 G HA3 0.506 4.466 3.960 0.000 0.000 0.304 110 G C -1.306 173.574 174.900 -0.034 0.000 1.315 110 G CA -0.398 44.671 45.100 -0.052 0.000 0.791 110 G HN 0.046 nan 8.290 nan 0.000 0.519 111 D N -0.517 119.857 120.400 -0.043 0.000 2.407 111 D HA 0.102 4.742 4.640 0.000 0.000 0.208 111 D C 0.956 177.225 176.300 -0.053 0.000 1.083 111 D CA 0.069 54.048 54.000 -0.034 0.000 0.844 111 D CB 0.574 41.355 40.800 -0.031 0.000 0.967 111 D HN 0.367 nan 8.370 nan 0.000 0.506 112 Q N 1.591 121.345 119.800 -0.076 0.000 2.274 112 Q HA 0.138 4.478 4.340 0.000 0.000 0.280 112 Q C -0.076 175.851 176.000 -0.122 0.000 1.047 112 Q CA 0.523 56.261 55.803 -0.108 0.000 0.907 112 Q CB 0.464 29.124 28.738 -0.130 0.000 1.171 112 Q HN 0.178 nan 8.270 nan 0.000 0.381 113 T N -0.163 114.289 114.554 -0.169 0.000 2.887 113 T HA 0.698 5.048 4.350 0.000 0.000 0.292 113 T C -1.048 173.422 174.700 -0.383 0.000 1.087 113 T CA -0.844 61.116 62.100 -0.233 0.000 1.009 113 T CB 1.799 70.572 68.868 -0.158 0.000 1.203 113 T HN 0.391 nan 8.240 nan 0.000 0.518 114 V N 1.976 121.540 119.914 -0.583 0.000 2.876 114 V HA 0.833 4.953 4.120 0.000 0.000 0.312 114 V C -1.278 174.335 176.094 -0.803 0.000 1.085 114 V CA -0.852 60.926 62.300 -0.870 0.000 0.945 114 V CB 0.626 31.594 31.823 -1.426 0.000 1.017 114 V HN 1.128 nan 8.190 nan 0.000 0.428 115 F N 3.306 122.977 119.950 -0.465 0.000 2.183 115 F HA -0.251 4.276 4.527 0.000 0.000 0.318 115 F C 0.561 176.205 175.800 -0.260 0.000 1.285 115 F CA 0.583 58.327 58.000 -0.428 0.000 0.912 115 F CB -0.949 37.498 39.000 -0.922 0.000 4.135 115 F HN 0.786 nan 8.300 nan 0.000 0.137 116 Y N 2.493 122.803 120.300 0.017 0.000 2.151 116 Y HA -0.250 4.301 4.550 0.000 0.000 0.284 116 Y C 1.976 177.958 175.900 0.137 0.000 1.166 116 Y CA 2.350 60.489 58.100 0.066 0.000 1.163 116 Y CB -0.373 38.152 38.460 0.108 0.000 0.974 116 Y HN 0.483 nan 8.280 nan 0.000 0.511 117 W N 0.732 122.028 121.300 -0.006 0.000 3.180 117 W HA 0.225 4.885 4.660 0.000 0.000 0.254 117 W C -0.118 176.400 176.519 -0.003 0.000 1.318 117 W CA 0.442 57.721 57.345 -0.111 0.000 1.608 117 W CB -0.854 28.619 29.460 0.021 0.000 1.124 117 W HN 0.075 nan 8.180 nan 0.000 0.694 118 K N 0.824 121.193 120.400 -0.052 0.000 3.393 118 K HA -0.134 4.186 4.320 0.000 0.000 0.272 118 K C 0.623 177.240 176.600 0.029 0.000 1.004 118 K CA 0.608 56.854 56.287 -0.068 0.000 0.764 118 K CB -1.758 30.734 32.500 -0.013 0.000 1.373 118 K HN 0.339 nan 8.250 nan 0.000 0.458 119 G N 1.368 110.094 108.800 -0.123 0.000 2.398 119 G HA2 0.018 3.978 3.960 0.000 0.000 0.246 119 G HA3 0.018 3.978 3.960 0.000 0.000 0.246 119 G C 0.012 174.866 174.900 -0.078 0.000 1.289 119 G CA -0.422 44.741 45.100 0.104 0.000 0.869 119 G HN 0.363 nan 8.290 nan 0.000 0.543 120 N N 1.471 120.260 118.700 0.149 0.000 2.488 120 N HA 0.120 4.860 4.740 0.000 0.000 0.274 120 N C 0.170 175.826 175.510 0.243 0.000 1.111 120 N CA -0.375 52.751 53.050 0.126 0.000 0.974 120 N CB 1.729 40.323 38.487 0.177 0.000 1.089 120 N HN 0.073 nan 8.380 nan 0.000 0.465 121 V N 2.470 122.474 119.914 0.150 0.000 3.176 121 V HA 0.045 4.165 4.120 0.000 0.000 0.332 121 V C 0.468 176.705 176.094 0.239 0.000 1.414 121 V CA 0.007 62.518 62.300 0.352 0.000 1.133 121 V CB -0.072 31.760 31.823 0.014 0.000 1.088 121 V HN 0.830 nan 8.190 nan 0.000 0.473 122 T N -1.023 113.585 114.554 0.090 0.000 2.943 122 T HA 0.604 4.954 4.350 0.000 0.000 0.284 122 T C -2.797 171.766 174.700 -0.228 0.000 1.015 122 T CA -2.262 59.727 62.100 -0.186 0.000 1.042 122 T CB 1.938 70.721 68.868 -0.142 0.000 1.055 122 T HN -0.001 nan 8.240 nan 0.000 0.500 123 P HA 0.250 nan 4.420 nan 0.000 0.270 123 P C -2.506 174.615 177.300 -0.299 0.000 1.223 123 P CA -1.482 61.426 63.100 -0.320 0.000 0.785 123 P CB -0.762 30.784 31.700 -0.256 0.000 0.923 124 P HA -0.045 nan 4.420 nan 0.000 0.266 124 P C 0.697 177.796 177.300 -0.335 0.000 1.195 124 P CA 0.101 62.955 63.100 -0.410 0.000 0.768 124 P CB 0.638 31.968 31.700 -0.617 0.000 0.838 125 K N 1.375 121.683 120.400 -0.154 0.000 2.097 125 K HA -0.107 4.213 4.320 0.000 0.000 0.206 125 K C 0.233 176.799 176.600 -0.056 0.000 1.049 125 K CA 1.483 57.722 56.287 -0.080 0.000 0.933 125 K CB -0.432 32.054 32.500 -0.023 0.000 0.717 125 K HN 0.526 nan 8.250 nan 0.000 0.442 126 D N -1.459 118.902 120.400 -0.066 0.000 2.620 126 D HA 0.117 4.757 4.640 0.000 0.000 0.252 126 D C 0.288 176.581 176.300 -0.012 0.000 1.207 126 D CA -0.453 53.553 54.000 0.010 0.000 0.884 126 D CB 0.535 41.367 40.800 0.054 0.000 1.262 126 D HN -0.136 nan 8.370 nan 0.000 0.552 127 Y N 2.132 122.479 120.300 0.079 0.000 2.333 127 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 127 Y C 1.913 177.909 175.900 0.160 0.000 1.144 127 Y CA 0.870 59.044 58.100 0.122 0.000 1.228 127 Y CB -0.037 38.466 38.460 0.072 0.000 0.985 127 Y HN 0.436 nan 8.280 nan 0.000 0.542 128 N N 0.230 119.068 118.700 0.230 0.000 2.223 128 N HA -0.139 4.601 4.740 0.000 0.000 0.185 128 N C 1.503 177.093 175.510 0.133 0.000 1.016 128 N CA 1.229 54.373 53.050 0.157 0.000 0.863 128 N CB -0.258 38.299 38.487 0.116 0.000 0.983 128 N HN 0.400 nan 8.380 nan 0.000 0.429 129 K N -0.146 120.332 120.400 0.129 0.000 2.148 129 K HA -0.100 4.220 4.320 0.000 0.000 0.204 129 K C 1.873 178.525 176.600 0.086 0.000 1.050 129 K CA 0.480 56.833 56.287 0.110 0.000 0.942 129 K CB -0.074 32.478 32.500 0.087 0.000 0.724 129 K HN 0.356 nan 8.250 nan 0.000 0.446 130 W N 2.825 124.075 121.300 -0.083 0.000 2.379 130 W HA -0.189 4.471 4.660 0.000 0.000 0.307 130 W C 1.988 178.464 176.519 -0.070 0.000 1.200 130 W CA 1.304 58.588 57.345 -0.102 0.000 1.297 130 W CB -0.165 29.223 29.460 -0.119 0.000 1.140 130 W HN 0.015 nan 8.180 nan 0.000 0.507 131 R N 0.714 121.251 120.500 0.063 0.000 2.091 131 R HA -0.198 4.142 4.340 0.000 0.000 0.238 131 R C 1.681 177.885 176.300 -0.159 0.000 1.136 131 R CA 2.346 58.405 56.100 -0.069 0.000 0.959 131 R CB -0.703 29.628 30.300 0.052 0.000 0.856 131 R HN 0.013 nan 8.270 nan 0.000 0.437 132 D N 0.840 121.200 120.400 -0.066 0.000 2.178 132 D HA -0.168 4.472 4.640 0.000 0.000 0.202 132 D C 1.886 178.090 176.300 -0.160 0.000 0.974 132 D CA 0.643 54.611 54.000 -0.054 0.000 0.841 132 D CB -0.166 40.682 40.800 0.080 0.000 0.953 132 D HN 0.280 nan 8.370 nan 0.000 0.478 133 L N 0.440 121.553 121.223 -0.184 0.000 2.017 133 L HA -0.156 4.184 4.340 0.000 0.000 0.208 133 L C 2.234 178.832 176.870 -0.453 0.000 1.073 133 L CA 1.115 55.784 54.840 -0.284 0.000 0.745 133 L CB -0.177 41.699 42.059 -0.305 0.000 0.894 133 L HN -0.024 nan 8.230 nan 0.000 0.432 134 I N -1.076 119.128 120.570 -0.610 0.000 2.179 134 I HA -0.279 3.891 4.170 0.000 0.000 0.242 134 I C 2.462 178.343 176.117 -0.392 0.000 1.088 134 I CA 0.964 61.867 61.300 -0.662 0.000 1.357 134 I CB -0.331 37.140 38.000 -0.882 0.000 1.051 134 I HN 0.047 nan 8.210 nan 0.000 0.409 135 V N 1.080 120.800 119.914 -0.322 0.000 2.255 135 V HA -0.353 3.767 4.120 0.000 0.000 0.247 135 V C 2.746 178.695 176.094 -0.242 0.000 1.051 135 V CA 2.199 64.361 62.300 -0.230 0.000 1.018 135 V CB -1.131 30.586 31.823 -0.175 0.000 0.641 135 V HN 0.525 nan 8.190 nan 0.000 0.445 136 A N -0.548 122.067 122.820 -0.341 0.000 1.908 136 A HA -0.174 4.146 4.320 0.000 0.000 0.218 136 A C 2.393 179.814 177.584 -0.272 0.000 1.181 136 A CA 2.221 54.020 52.037 -0.396 0.000 0.627 136 A CB -0.701 17.716 19.000 -0.970 0.000 0.818 136 A HN 0.340 nan 8.150 nan 0.000 0.445 137 V N -0.509 119.256 119.914 -0.249 0.000 2.307 137 V HA -0.200 3.920 4.120 0.000 0.000 0.245 137 V C 2.593 178.433 176.094 -0.425 0.000 1.045 137 V CA 1.881 64.044 62.300 -0.229 0.000 1.024 137 V CB -0.596 31.193 31.823 -0.056 0.000 0.651 137 V HN 0.375 nan 8.190 nan 0.000 0.449 138 V N 0.081 119.907 119.914 -0.148 0.000 2.343 138 V HA -0.243 3.877 4.120 0.000 0.000 0.247 138 V C 2.542 178.605 176.094 -0.052 0.000 1.051 138 V CA 2.360 64.671 62.300 0.020 0.000 1.036 138 V CB -0.774 31.049 31.823 0.001 0.000 0.654 138 V HN 0.580 nan 8.190 nan 0.000 0.451 139 S N -1.205 114.416 115.700 -0.132 0.000 2.368 139 S HA -0.251 4.219 4.470 0.000 0.000 0.225 139 S C 1.965 176.461 174.600 -0.174 0.000 1.030 139 S CA 1.543 59.665 58.200 -0.129 0.000 0.999 139 S CB -0.559 62.565 63.200 -0.126 0.000 0.844 139 S HN 0.735 nan 8.310 nan 0.000 0.459 140 H N 0.708 119.530 119.070 -0.412 0.000 2.353 140 H HA -0.071 4.485 4.556 0.000 0.000 0.300 140 H C 1.812 176.968 175.328 -0.286 0.000 1.090 140 H CA 1.590 57.287 56.048 -0.585 0.000 1.327 140 H CB -0.373 28.563 29.762 -1.377 0.000 1.383 140 H HN 0.493 nan 8.280 nan 0.000 0.508 141 F N 0.535 120.441 119.950 -0.073 0.000 2.095 141 F HA -0.220 4.307 4.527 0.000 0.000 0.298 141 F C 2.885 178.643 175.800 -0.071 0.000 1.104 141 F CA 0.760 58.811 58.000 0.084 0.000 1.232 141 F CB -0.234 38.912 39.000 0.243 0.000 0.987 141 F HN 0.090 nan 8.300 nan 0.000 0.475 142 I N 0.203 120.811 120.570 0.063 0.000 2.179 142 I HA -0.285 3.885 4.170 0.000 0.000 0.242 142 I C 2.232 178.281 176.117 -0.113 0.000 1.088 142 I CA 1.492 62.765 61.300 -0.046 0.000 1.357 142 I CB -0.503 37.464 38.000 -0.055 0.000 1.051 142 I HN 0.175 nan 8.210 nan 0.000 0.409 143 E N 0.310 120.401 120.200 -0.182 0.000 2.058 143 E HA -0.293 4.057 4.350 0.000 0.000 0.194 143 E C 2.307 178.733 176.600 -0.291 0.000 0.997 143 E CA 1.357 57.624 56.400 -0.221 0.000 0.801 143 E CB -0.170 29.381 29.700 -0.248 0.000 0.746 143 E HN 0.385 nan 8.360 nan 0.000 0.450 144 R N -0.405 119.814 120.500 -0.468 0.000 2.100 144 R HA -0.073 4.267 4.340 0.000 0.000 0.220 144 R C 1.277 177.196 176.300 -0.636 0.000 1.091 144 R CA 1.091 56.799 56.100 -0.653 0.000 0.986 144 R CB 0.161 29.851 30.300 -1.017 0.000 0.888 144 R HN 0.232 nan 8.270 nan 0.000 0.444 145 Y N -0.934 119.327 120.300 -0.065 0.000 2.444 145 Y HA 0.384 4.934 4.550 0.000 0.000 0.252 145 Y C 0.722 176.574 175.900 -0.080 0.000 1.091 145 Y CA 0.118 58.196 58.100 -0.036 0.000 1.276 145 Y CB 1.272 39.746 38.460 0.023 0.000 1.170 145 Y HN 0.273 nan 8.280 nan 0.000 0.517 146 G N 0.953 109.749 108.800 -0.007 0.000 2.705 146 G HA2 -0.240 3.720 3.960 0.000 0.000 0.686 146 G HA3 -0.240 3.720 3.960 0.000 0.000 0.686 146 G C 0.039 174.899 174.900 -0.065 0.000 1.285 146 G CA -0.243 44.836 45.100 -0.036 0.000 0.800 146 G HN 0.153 nan 8.290 nan 0.000 0.611 147 I N 0.628 121.162 120.570 -0.060 0.000 2.394 147 I HA 0.004 4.174 4.170 0.000 0.000 0.251 147 I C 2.253 178.326 176.117 -0.074 0.000 1.136 147 I CA 2.530 63.791 61.300 -0.066 0.000 1.425 147 I CB -0.329 37.652 38.000 -0.031 0.000 1.079 147 I HN 0.846 nan 8.210 nan 0.000 0.425 148 E N 0.095 120.263 120.200 -0.054 0.000 2.051 148 E HA -0.319 4.031 4.350 0.000 0.000 0.192 148 E C 2.127 178.688 176.600 -0.066 0.000 0.991 148 E CA 1.505 57.879 56.400 -0.043 0.000 0.799 148 E CB -0.164 29.522 29.700 -0.023 0.000 0.748 148 E HN 0.509 nan 8.360 nan 0.000 0.449 149 E N 0.086 120.238 120.200 -0.080 0.000 2.038 149 E HA -0.160 4.190 4.350 0.000 0.000 0.195 149 E C 1.980 178.328 176.600 -0.420 0.000 1.000 149 E CA 1.695 58.029 56.400 -0.111 0.000 0.803 149 E CB -0.294 29.395 29.700 -0.018 0.000 0.750 149 E HN 0.198 nan 8.360 nan 0.000 0.448 150 V N 0.865 120.425 119.914 -0.590 0.000 2.515 150 V HA -0.169 3.951 4.120 0.000 0.000 0.250 150 V C 2.337 178.160 176.094 -0.452 0.000 1.058 150 V CA 1.930 63.611 62.300 -1.033 0.000 1.064 150 V CB -0.542 30.863 31.823 -0.698 0.000 0.675 150 V HN 0.231 nan 8.190 nan 0.000 0.461 151 R N 0.628 121.027 120.500 -0.168 0.000 2.193 151 R HA -0.128 4.212 4.340 0.000 0.000 0.229 151 R C 2.311 178.655 176.300 0.074 0.000 1.110 151 R CA 1.708 57.822 56.100 0.022 0.000 0.988 151 R CB -0.563 29.760 30.300 0.037 0.000 0.871 151 R HN 0.746 nan 8.270 nan 0.000 0.458 152 T N -2.476 112.108 114.554 0.049 0.000 3.113 152 T HA -0.049 4.301 4.350 0.000 0.000 0.263 152 T C 0.399 175.303 174.700 0.339 0.000 1.143 152 T CA 0.053 62.266 62.100 0.189 0.000 1.090 152 T CB -0.024 68.966 68.868 0.204 0.000 0.922 152 T HN 0.071 nan 8.240 nan 0.000 0.521 153 W N 0.801 122.078 121.300 -0.037 0.000 2.260 153 W HA 0.754 5.414 4.660 0.000 0.000 0.366 153 W C -0.003 176.224 176.519 -0.487 0.000 1.315 153 W CA -2.178 55.003 57.345 -0.272 0.000 1.458 153 W CB 0.025 29.204 29.460 -0.468 0.000 1.255 153 W HN 0.046 nan 8.180 nan 0.000 0.671 154 L N 0.427 121.242 121.223 -0.680 0.000 2.354 154 L HA 0.559 4.899 4.340 0.000 0.000 0.264 154 L C -1.230 175.118 176.870 -0.870 0.000 1.008 154 L CA -0.760 53.602 54.840 -0.798 0.000 0.819 154 L CB 1.757 42.820 42.059 -1.659 0.000 1.339 154 L HN 0.050 nan 8.230 nan 0.000 0.420 155 F N 0.479 120.464 119.950 0.057 0.000 2.539 155 F HA 0.438 4.965 4.527 0.000 0.000 0.328 155 F C -0.012 176.057 175.800 0.449 0.000 1.148 155 F CA -0.508 57.596 58.000 0.172 0.000 0.940 155 F CB 1.781 40.906 39.000 0.207 0.000 1.194 155 F HN 0.340 nan 8.300 nan 0.000 0.438 156 E N 2.098 122.665 120.200 0.611 0.000 2.202 156 E HA 0.681 5.031 4.350 0.000 0.000 0.272 156 E C -1.432 175.512 176.600 0.573 0.000 0.951 156 E CA -0.810 55.986 56.400 0.659 0.000 0.813 156 E CB 2.295 32.391 29.700 0.659 0.000 1.151 156 E HN 0.382 nan 8.360 nan 0.000 0.398 157 V N 5.662 125.943 119.914 0.612 0.000 2.347 157 V HA 0.239 4.359 4.120 0.000 0.000 0.280 157 V C -0.009 176.516 176.094 0.719 0.000 1.021 157 V CA -0.455 62.267 62.300 0.703 0.000 0.847 157 V CB 0.295 32.513 31.823 0.658 0.000 0.990 157 V HN 0.799 nan 8.190 nan 0.000 0.444 158 W N 3.568 125.108 121.300 0.399 0.000 3.071 158 W HA -0.258 4.402 4.660 0.000 0.000 0.185 158 W C -0.278 176.318 176.519 0.128 0.000 0.627 158 W CA 0.868 58.367 57.345 0.256 0.000 0.460 158 W CB -0.119 29.477 29.460 0.227 0.000 2.843 158 W HN 0.774 nan 8.180 nan 0.000 0.415 159 N N 0.896 119.566 118.700 -0.049 0.000 2.425 159 N HA 0.249 4.989 4.740 0.000 0.000 0.289 159 N C -1.043 174.358 175.510 -0.181 0.000 1.074 159 N CA 0.286 53.249 53.050 -0.145 0.000 0.905 159 N CB 0.973 39.273 38.487 -0.312 0.000 1.586 159 N HN 0.335 nan 8.380 nan 0.000 0.490 160 E N 1.671 121.673 120.200 -0.329 0.000 2.183 160 E HA -0.173 4.177 4.350 0.000 0.000 0.196 160 E C -1.717 174.769 176.600 -0.191 0.000 1.364 160 E CA 0.248 56.416 56.400 -0.386 0.000 0.700 160 E CB -0.577 28.829 29.700 -0.489 0.000 1.106 160 E HN 0.617 nan 8.360 nan 0.000 0.347 161 P HA -0.180 nan 4.420 nan 0.000 0.228 161 P C 0.728 177.745 177.300 -0.472 0.000 1.151 161 P CA 1.133 64.033 63.100 -0.333 0.000 0.770 161 P CB 0.055 31.189 31.700 -0.944 0.000 0.786 162 N N -0.227 117.903 118.700 -0.951 0.000 2.398 162 N HA 0.008 4.748 4.740 0.000 0.000 0.188 162 N C 0.162 175.479 175.510 -0.320 0.000 1.122 162 N CA 0.152 52.551 53.050 -1.085 0.000 0.866 162 N CB -0.204 37.254 38.487 -1.716 0.000 0.970 162 N HN 0.221 nan 8.380 nan 0.000 0.462 163 L N 0.730 121.889 121.223 -0.108 0.000 2.356 163 L HA 0.322 4.662 4.340 0.000 0.000 0.277 163 L C 1.222 178.149 176.870 0.094 0.000 0.996 163 L CA -0.704 54.156 54.840 0.033 0.000 0.822 163 L CB 2.676 44.825 42.059 0.150 0.000 1.256 163 L HN -0.281 nan 8.230 nan 0.000 0.413 164 V N 2.459 122.390 119.914 0.029 0.000 2.568 164 V HA -0.252 3.868 4.120 0.000 0.000 0.253 164 V C 1.994 178.036 176.094 -0.086 0.000 1.072 164 V CA 1.709 64.004 62.300 -0.008 0.000 1.084 164 V CB -0.574 31.230 31.823 -0.031 0.000 0.676 164 V HN 0.790 nan 8.190 nan 0.000 0.469 165 N N -0.458 118.135 118.700 -0.178 0.000 2.309 165 N HA -0.112 4.628 4.740 0.000 0.000 0.182 165 N C 1.524 176.638 175.510 -0.659 0.000 1.018 165 N CA 1.447 54.217 53.050 -0.467 0.000 0.876 165 N CB -0.142 37.917 38.487 -0.712 0.000 0.972 165 N HN 0.502 nan 8.380 nan 0.000 0.434 166 F N -1.541 118.361 119.950 -0.079 0.000 2.720 166 F HA 0.275 4.802 4.527 0.000 0.000 0.301 166 F C 0.556 176.633 175.800 0.461 0.000 1.103 166 F CA -0.267 57.732 58.000 -0.002 0.000 1.291 166 F CB 0.742 39.754 39.000 0.020 0.000 1.086 166 F HN 0.022 nan 8.300 nan 0.000 0.592 167 W N 2.010 123.439 121.300 0.215 0.000 3.651 167 W HA 0.182 4.842 4.660 0.000 0.000 0.322 167 W C -1.175 175.366 176.519 0.037 0.000 1.132 167 W CA -1.278 56.181 57.345 0.191 0.000 1.277 167 W CB 0.786 30.351 29.460 0.175 0.000 1.249 167 W HN -0.410 nan 8.180 nan 0.000 0.448 168 K N 5.716 125.836 120.400 -0.467 0.000 2.473 168 K HA -0.108 4.212 4.320 0.000 0.000 0.277 168 K C 0.448 176.806 176.600 -0.404 0.000 1.052 168 K CA 1.627 57.657 56.287 -0.429 0.000 1.114 168 K CB 0.400 32.595 32.500 -0.510 0.000 0.869 168 K HN 0.579 nan 8.250 nan 0.000 0.481 169 D N 2.467 122.750 120.400 -0.194 0.000 3.046 169 D HA -0.260 4.380 4.640 0.000 0.000 0.210 169 D C 0.219 176.515 176.300 -0.006 0.000 1.124 169 D CA 1.234 55.170 54.000 -0.106 0.000 0.986 169 D CB -1.457 39.266 40.800 -0.129 0.000 1.118 169 D HN 0.885 nan 8.370 nan 0.000 0.416 170 A N -0.330 122.528 122.820 0.064 0.000 2.748 170 A HA -0.328 3.992 4.320 0.000 0.000 0.297 170 A C 0.498 178.322 177.584 0.401 0.000 1.508 170 A CA 1.165 53.375 52.037 0.288 0.000 0.799 170 A CB -1.689 17.435 19.000 0.207 0.000 1.011 170 A HN 0.438 nan 8.150 nan 0.000 0.500 171 N N 0.347 119.190 118.700 0.239 0.000 2.400 171 N HA 0.058 4.798 4.740 0.000 0.000 0.278 171 N C 1.056 176.745 175.510 0.297 0.000 1.247 171 N CA 0.816 53.971 53.050 0.174 0.000 0.970 171 N CB 0.338 38.806 38.487 -0.031 0.000 1.312 171 N HN 0.660 nan 8.380 nan 0.000 0.488 172 K N 2.496 122.858 120.400 -0.064 0.000 1.991 172 K HA -0.179 4.141 4.320 0.000 0.000 0.212 172 K C 1.243 177.387 176.600 -0.761 0.000 1.049 172 K CA 1.311 57.147 56.287 -0.752 0.000 0.932 172 K CB 0.181 31.946 32.500 -1.224 0.000 0.717 172 K HN 0.523 nan 8.250 nan 0.000 0.441 173 Q N 0.407 119.917 119.800 -0.483 0.000 2.170 173 Q HA -0.194 4.146 4.340 0.000 0.000 0.203 173 Q C 1.940 177.860 176.000 -0.134 0.000 0.976 173 Q CA 1.381 56.999 55.803 -0.309 0.000 0.858 173 Q CB -0.170 28.499 28.738 -0.115 0.000 0.907 173 Q HN 0.335 nan 8.270 nan 0.000 0.433 174 E N -0.076 120.130 120.200 0.010 0.000 2.106 174 E HA -0.163 4.187 4.350 0.000 0.000 0.192 174 E C 1.723 178.476 176.600 0.255 0.000 0.984 174 E CA 0.742 57.241 56.400 0.164 0.000 0.806 174 E CB -0.307 29.522 29.700 0.214 0.000 0.750 174 E HN 0.421 nan 8.360 nan 0.000 0.458 175 Y N -0.195 120.195 120.300 0.151 0.000 2.145 175 Y HA -0.167 4.383 4.550 0.000 0.000 0.286 175 Y C 1.770 177.667 175.900 -0.006 0.000 1.145 175 Y CA 1.857 59.861 58.100 -0.159 0.000 1.148 175 Y CB -0.485 37.819 38.460 -0.258 0.000 0.981 175 Y HN 0.084 nan 8.280 nan 0.000 0.507 176 F N 0.568 120.344 119.950 -0.289 0.000 2.161 176 F HA -0.258 4.269 4.527 0.000 0.000 0.300 176 F C 2.609 178.099 175.800 -0.517 0.000 1.089 176 F CA 1.316 58.907 58.000 -0.682 0.000 1.282 176 F CB -0.301 37.821 39.000 -1.465 0.000 1.010 176 F HN 0.032 nan 8.300 nan 0.000 0.485 177 K N 1.030 121.349 120.400 -0.136 0.000 2.057 177 K HA -0.190 4.130 4.320 0.000 0.000 0.207 177 K C 2.164 178.682 176.600 -0.135 0.000 1.049 177 K CA 0.912 57.139 56.287 -0.100 0.000 0.931 177 K CB -0.269 32.113 32.500 -0.198 0.000 0.714 177 K HN 0.251 nan 8.250 nan 0.000 0.440 178 L N 0.739 121.881 121.223 -0.136 0.000 2.017 178 L HA -0.223 4.117 4.340 0.000 0.000 0.208 178 L C 2.280 179.090 176.870 -0.101 0.000 1.073 178 L CA 1.827 56.607 54.840 -0.100 0.000 0.745 178 L CB -0.706 41.148 42.059 -0.342 0.000 0.894 178 L HN 0.317 nan 8.230 nan 0.000 0.432 179 Y N 1.285 121.358 120.300 -0.379 0.000 2.040 179 Y HA -0.374 4.176 4.550 0.000 0.000 0.275 179 Y C 2.770 178.704 175.900 0.057 0.000 1.171 179 Y CA 2.611 60.603 58.100 -0.181 0.000 1.123 179 Y CB -0.323 38.005 38.460 -0.219 0.000 0.963 179 Y HN 0.375 nan 8.280 nan 0.000 0.493 180 E N -0.664 119.615 120.200 0.132 0.000 2.051 180 E HA -0.181 4.169 4.350 0.000 0.000 0.192 180 E C 2.137 178.741 176.600 0.007 0.000 0.991 180 E CA 1.718 58.192 56.400 0.123 0.000 0.799 180 E CB -0.292 29.606 29.700 0.330 0.000 0.748 180 E HN 0.361 nan 8.360 nan 0.000 0.449 181 V N 1.123 121.067 119.914 0.049 0.000 2.324 181 V HA -0.305 3.815 4.120 0.000 0.000 0.250 181 V C 2.406 178.548 176.094 0.081 0.000 1.060 181 V CA 2.310 64.672 62.300 0.104 0.000 1.042 181 V CB -0.851 31.118 31.823 0.243 0.000 0.650 181 V HN 0.426 nan 8.190 nan 0.000 0.450 182 T N 0.168 114.770 114.554 0.080 0.000 2.737 182 T HA -0.092 4.258 4.350 0.000 0.000 0.265 182 T C 2.070 176.675 174.700 -0.159 0.000 1.038 182 T CA 1.501 63.602 62.100 0.001 0.000 1.144 182 T CB -0.439 68.532 68.868 0.171 0.000 0.866 182 T HN 0.570 nan 8.240 nan 0.000 0.434 183 A N 1.851 124.484 122.820 -0.312 0.000 1.902 183 A HA -0.101 4.219 4.320 0.000 0.000 0.217 183 A C 2.399 179.892 177.584 -0.152 0.000 1.181 183 A CA 1.263 53.122 52.037 -0.297 0.000 0.623 183 A CB -0.454 18.229 19.000 -0.529 0.000 0.818 183 A HN 0.375 nan 8.150 nan 0.000 0.443 184 R N -0.643 119.787 120.500 -0.118 0.000 2.092 184 R HA -0.030 4.310 4.340 0.000 0.000 0.231 184 R C 2.513 178.761 176.300 -0.087 0.000 1.119 184 R CA 1.068 57.122 56.100 -0.077 0.000 0.970 184 R CB -0.465 29.808 30.300 -0.044 0.000 0.864 184 R HN 0.510 nan 8.270 nan 0.000 0.440 185 A N 0.885 123.644 122.820 -0.102 0.000 1.883 185 A HA -0.142 4.178 4.320 0.000 0.000 0.217 185 A C 2.372 179.861 177.584 -0.157 0.000 1.186 185 A CA 1.567 53.523 52.037 -0.134 0.000 0.624 185 A CB -0.628 18.258 19.000 -0.191 0.000 0.822 185 A HN 0.110 nan 8.150 nan 0.000 0.444 186 V N 0.491 120.302 119.914 -0.171 0.000 2.295 186 V HA -0.248 3.872 4.120 0.000 0.000 0.246 186 V C 2.524 178.522 176.094 -0.159 0.000 1.049 186 V CA 2.198 64.385 62.300 -0.188 0.000 1.024 186 V CB -0.616 31.098 31.823 -0.183 0.000 0.648 186 V HN 0.439 nan 8.190 nan 0.000 0.447 187 K N 0.899 121.227 120.400 -0.120 0.000 2.147 187 K HA -0.116 4.204 4.320 0.000 0.000 0.205 187 K C 2.468 179.008 176.600 -0.099 0.000 1.049 187 K CA 1.657 57.884 56.287 -0.101 0.000 0.936 187 K CB -0.830 31.623 32.500 -0.078 0.000 0.722 187 K HN 0.680 nan 8.250 nan 0.000 0.446 188 S N 0.650 116.294 115.700 -0.092 0.000 2.400 188 S HA -0.111 4.359 4.470 0.000 0.000 0.232 188 S C 2.176 176.725 174.600 -0.084 0.000 1.025 188 S CA 1.366 59.517 58.200 -0.081 0.000 0.993 188 S CB -0.570 62.587 63.200 -0.072 0.000 0.808 188 S HN 0.008 nan 8.310 nan 0.000 0.478 189 V N 1.284 121.138 119.914 -0.100 0.000 2.346 189 V HA 0.163 4.283 4.120 0.000 0.000 0.244 189 V C 0.733 176.777 176.094 -0.083 0.000 1.037 189 V CA 1.552 63.796 62.300 -0.093 0.000 1.029 189 V CB -0.731 31.027 31.823 -0.109 0.000 0.663 189 V HN 0.661 nan 8.190 nan 0.000 0.454 190 D N -1.773 118.571 120.400 -0.093 0.000 2.937 190 D HA 0.298 4.938 4.640 0.000 0.000 0.215 190 D C -2.371 173.857 176.300 -0.119 0.000 1.274 190 D CA -1.226 52.725 54.000 -0.082 0.000 0.869 190 D CB 2.267 43.045 40.800 -0.036 0.000 1.675 190 D HN -0.094 nan 8.370 nan 0.000 0.538 191 P HA -0.053 nan 4.420 nan 0.000 0.226 191 P C 0.267 177.360 177.300 -0.345 0.000 1.153 191 P CA 1.034 63.949 63.100 -0.308 0.000 0.777 191 P CB 0.053 31.503 31.700 -0.417 0.000 0.794 192 H N -1.499 117.581 119.070 0.017 0.000 2.551 192 H HA 0.232 4.788 4.556 0.000 0.000 0.271 192 H C 0.699 176.069 175.328 0.071 0.000 0.984 192 H CA -0.461 55.613 56.048 0.042 0.000 1.164 192 H CB -0.321 29.462 29.762 0.034 0.000 1.437 192 H HN 0.043 nan 8.280 nan 0.000 0.550 193 L N 2.284 123.576 121.223 0.114 0.000 2.462 193 L HA 0.038 4.378 4.340 0.000 0.000 0.272 193 L C 0.116 177.114 176.870 0.214 0.000 1.166 193 L CA -0.254 54.677 54.840 0.153 0.000 0.880 193 L CB 0.516 42.540 42.059 -0.058 0.000 1.142 193 L HN 0.214 nan 8.230 nan 0.000 0.473 194 Q N 3.504 123.522 119.800 0.363 0.000 2.295 194 Q HA 0.339 4.679 4.340 0.000 0.000 0.259 194 Q C -0.421 175.902 176.000 0.539 0.000 0.976 194 Q CA -0.067 55.974 55.803 0.396 0.000 0.923 194 Q CB 2.241 31.198 28.738 0.365 0.000 1.185 194 Q HN 0.449 nan 8.270 nan 0.000 0.410 195 V N 1.447 121.573 119.914 0.354 0.000 2.735 195 V HA 0.946 5.066 4.120 0.000 0.000 0.310 195 V C -0.436 175.592 176.094 -0.110 0.000 1.061 195 V CA -0.198 62.267 62.300 0.275 0.000 0.913 195 V CB 2.047 33.996 31.823 0.210 0.000 1.005 195 V HN 0.874 nan 8.190 nan 0.000 0.428 196 G N 2.705 111.287 108.800 -0.363 0.000 2.645 196 G HA2 0.864 4.824 3.960 0.000 0.000 0.292 196 G HA3 0.864 4.824 3.960 0.000 0.000 0.292 196 G C -0.482 174.364 174.900 -0.090 0.000 1.415 196 G CA -0.021 44.580 45.100 -0.831 0.000 0.785 196 G HN 1.577 nan 8.290 nan 0.000 0.483 197 G N -1.577 107.137 108.800 -0.142 0.000 2.427 197 G HA2 0.631 4.591 3.960 0.000 0.000 0.306 197 G HA3 0.631 4.591 3.960 0.000 0.000 0.306 197 G C -2.742 171.868 174.900 -0.483 0.000 1.280 197 G CA 0.158 45.150 45.100 -0.179 0.000 0.837 197 G HN 0.531 nan 8.290 nan 0.000 0.482 198 P HA 0.290 nan 4.420 nan 0.000 0.257 198 P C 0.844 177.879 177.300 -0.441 0.000 1.281 198 P CA 1.131 63.803 63.100 -0.713 0.000 0.826 198 P CB 0.752 32.006 31.700 -0.743 0.000 1.237 199 A N 0.444 123.092 122.820 -0.286 0.000 2.783 199 A HA -0.199 4.121 4.320 0.000 0.000 0.292 199 A C 0.491 177.688 177.584 -0.644 0.000 1.495 199 A CA 0.761 52.593 52.037 -0.343 0.000 0.787 199 A CB -2.747 16.182 19.000 -0.118 0.000 1.017 199 A HN 0.532 nan 8.150 nan 0.000 0.516 200 I N -2.406 117.812 120.570 -0.586 0.000 2.764 200 I HA 0.634 4.804 4.170 0.000 0.000 0.294 200 I C 0.974 176.769 176.117 -0.537 0.000 1.045 200 I CA -0.724 60.223 61.300 -0.589 0.000 1.340 200 I CB 1.022 38.718 38.000 -0.506 0.000 1.436 200 I HN 0.711 nan 8.210 nan 0.000 0.567 201 C N 2.656 121.739 119.300 -0.362 0.000 2.325 201 C HA 0.864 5.324 4.460 0.000 0.000 0.370 201 C C 1.146 176.088 174.990 -0.080 0.000 1.217 201 C CA -0.277 58.661 59.018 -0.133 0.000 2.254 201 C CB 0.139 27.869 27.740 -0.016 0.000 2.282 201 C HN 1.124 nan 8.230 nan 0.000 0.564 202 G N -0.396 108.424 108.800 0.034 0.000 2.750 202 G HA2 0.435 4.395 3.960 0.000 0.000 0.250 202 G HA3 0.435 4.395 3.960 0.000 0.000 0.250 202 G C 1.193 176.111 174.900 0.031 0.000 1.230 202 G CA 0.375 45.508 45.100 0.054 0.000 0.883 202 G HN 2.580 nan 8.290 nan 0.000 0.573 203 G N -1.622 107.207 108.800 0.049 0.000 2.225 203 G HA2 -0.121 3.839 3.960 0.000 0.000 0.254 203 G HA3 -0.121 3.839 3.960 0.000 0.000 0.254 203 G C 0.756 175.685 174.900 0.048 0.000 0.988 203 G CA 1.184 46.312 45.100 0.048 0.000 0.625 203 G HN 2.196 nan 8.290 nan 0.000 0.527 204 S N -0.412 115.310 115.700 0.037 0.000 2.472 204 S HA 0.466 4.936 4.470 0.000 0.000 0.191 204 S C 0.097 174.794 174.600 0.163 0.000 1.244 204 S CA 0.262 58.522 58.200 0.100 0.000 1.227 204 S CB 0.904 64.142 63.200 0.064 0.000 1.381 204 S HN 0.035 nan 8.310 nan 0.000 0.394 205 D N 1.855 122.335 120.400 0.133 0.000 2.378 205 D HA -0.007 4.633 4.640 0.000 0.000 0.227 205 D C 1.561 177.972 176.300 0.186 0.000 1.012 205 D CA 0.317 54.404 54.000 0.145 0.000 0.905 205 D CB 0.200 41.059 40.800 0.099 0.000 0.895 205 D HN 0.673 nan 8.370 nan 0.000 0.532 206 E N -0.330 119.992 120.200 0.203 0.000 2.130 206 E HA -0.201 4.149 4.350 0.000 0.000 0.196 206 E C 1.615 178.355 176.600 0.234 0.000 0.998 206 E CA 0.910 57.418 56.400 0.180 0.000 0.806 206 E CB -0.013 29.765 29.700 0.131 0.000 0.738 206 E HN 0.399 nan 8.360 nan 0.000 0.459 207 W N 0.729 122.087 121.300 0.096 0.000 2.338 207 W HA -0.143 4.517 4.660 0.000 0.000 0.304 207 W C 2.122 178.767 176.519 0.209 0.000 1.212 207 W CA 0.783 58.216 57.345 0.146 0.000 1.264 207 W CB -0.429 29.045 29.460 0.024 0.000 1.142 207 W HN 0.095 nan 8.180 nan 0.000 0.512 208 I N -0.551 120.237 120.570 0.362 0.000 2.252 208 I HA -0.301 3.869 4.170 0.000 0.000 0.245 208 I C 2.684 178.976 176.117 0.292 0.000 1.102 208 I CA 1.908 63.389 61.300 0.302 0.000 1.385 208 I CB -1.146 36.971 38.000 0.195 0.000 1.064 208 I HN 0.029 nan 8.210 nan 0.000 0.414 209 T N -0.738 113.949 114.554 0.222 0.000 2.821 209 T HA -0.190 4.160 4.350 0.000 0.000 0.267 209 T C 1.540 176.354 174.700 0.190 0.000 1.046 209 T CA 1.740 63.947 62.100 0.178 0.000 1.139 209 T CB -0.272 68.671 68.868 0.125 0.000 0.871 209 T HN 0.213 nan 8.240 nan 0.000 0.454 210 D N 0.192 120.718 120.400 0.209 0.000 2.144 210 D HA -0.006 4.634 4.640 0.000 0.000 0.200 210 D C 1.630 178.028 176.300 0.164 0.000 0.978 210 D CA 0.828 54.964 54.000 0.227 0.000 0.833 210 D CB -0.614 40.339 40.800 0.255 0.000 0.961 210 D HN 0.501 nan 8.370 nan 0.000 0.470 211 F N 1.586 121.538 119.950 0.003 0.000 2.075 211 F HA -0.125 4.402 4.527 0.000 0.000 0.297 211 F C 2.069 177.727 175.800 -0.235 0.000 1.113 211 F CA 1.213 58.957 58.000 -0.427 0.000 1.218 211 F CB -0.406 38.566 39.000 -0.045 0.000 0.984 211 F HN -0.132 nan 8.300 nan 0.000 0.472 212 L N -0.616 120.524 121.223 -0.138 0.000 2.201 212 L HA -0.206 4.134 4.340 0.000 0.000 0.212 212 L C 2.465 179.344 176.870 0.015 0.000 1.105 212 L CA 1.610 56.373 54.840 -0.129 0.000 0.775 212 L CB -0.971 41.169 42.059 0.135 0.000 0.913 212 L HN 0.312 nan 8.230 nan 0.000 0.440 213 H N -0.384 118.661 119.070 -0.042 0.000 2.333 213 H HA -0.229 4.327 4.556 0.000 0.000 0.302 213 H C 2.107 177.393 175.328 -0.070 0.000 1.075 213 H CA 1.708 57.739 56.048 -0.028 0.000 1.348 213 H CB -0.054 29.713 29.762 0.009 0.000 1.393 213 H HN 0.208 nan 8.280 nan 0.000 0.509 214 F N 0.746 120.612 119.950 -0.140 0.000 2.065 214 F HA -0.351 4.176 4.527 0.000 0.000 0.298 214 F C 2.373 178.000 175.800 -0.290 0.000 1.112 214 F CA 1.989 59.830 58.000 -0.266 0.000 1.212 214 F CB -0.965 37.645 39.000 -0.650 0.000 0.975 214 F HN 0.317 nan 8.300 nan 0.000 0.476 215 C N 0.581 119.698 119.300 -0.305 0.000 2.413 215 C HA -0.143 4.317 4.460 0.000 0.000 0.276 215 C C 3.163 178.093 174.990 -0.099 0.000 1.248 215 C CA 1.174 60.020 59.018 -0.287 0.000 1.742 215 C CB -1.936 25.511 27.740 -0.488 0.000 2.017 215 C HN 0.684 nan 8.230 nan 0.000 0.481 216 A N 0.154 122.984 122.820 0.016 0.000 1.877 216 A HA -0.207 4.113 4.320 0.000 0.000 0.216 216 A C 2.095 179.530 177.584 -0.247 0.000 1.186 216 A CA 1.711 53.682 52.037 -0.110 0.000 0.620 216 A CB -0.677 18.134 19.000 -0.315 0.000 0.822 216 A HN 0.681 nan 8.150 nan 0.000 0.443 217 E N -0.619 119.366 120.200 -0.359 0.000 2.085 217 E HA -0.177 4.173 4.350 0.000 0.000 0.194 217 E C 1.679 178.107 176.600 -0.288 0.000 0.994 217 E CA 1.159 57.364 56.400 -0.325 0.000 0.801 217 E CB -0.064 29.456 29.700 -0.300 0.000 0.743 217 E HN 0.513 nan 8.360 nan 0.000 0.453 218 R N -0.123 120.138 120.500 -0.398 0.000 2.427 218 R HA 0.215 4.555 4.340 0.000 0.000 0.262 218 R C -0.104 176.053 176.300 -0.238 0.000 0.943 218 R CA -0.168 55.716 56.100 -0.360 0.000 1.081 218 R CB 0.299 30.246 30.300 -0.587 0.000 1.166 218 R HN 0.029 nan 8.270 nan 0.000 0.534 219 R N 0.631 121.027 120.500 -0.172 0.000 3.301 219 R HA -0.149 4.191 4.340 0.000 0.000 0.249 219 R C -0.710 175.550 176.300 -0.067 0.000 0.964 219 R CA 0.280 56.330 56.100 -0.084 0.000 0.653 219 R CB -1.525 28.735 30.300 -0.067 0.000 1.043 219 R HN 0.011 nan 8.270 nan 0.000 0.454 220 V N 1.137 121.002 119.914 -0.082 0.000 2.498 220 V HA 0.223 4.343 4.120 0.000 0.000 0.279 220 V C -1.508 174.598 176.094 0.019 0.000 1.048 220 V CA -1.642 60.654 62.300 -0.006 0.000 0.967 220 V CB 1.279 33.147 31.823 0.074 0.000 0.988 220 V HN 0.109 nan 8.190 nan 0.000 0.473 221 P HA 0.219 nan 4.420 nan 0.000 0.265 221 P C -0.965 176.383 177.300 0.080 0.000 1.193 221 P CA 0.190 63.308 63.100 0.031 0.000 0.765 221 P CB 0.405 32.117 31.700 0.020 0.000 0.823 222 V N 0.537 120.418 119.914 -0.056 0.000 2.697 222 V HA 0.306 4.426 4.120 0.000 0.000 0.300 222 V C -0.209 175.815 176.094 -0.116 0.000 1.115 222 V CA -0.493 61.742 62.300 -0.108 0.000 0.912 222 V CB 2.139 33.673 31.823 -0.482 0.000 1.024 222 V HN 0.375 nan 8.190 nan 0.000 0.431 223 D N 2.741 123.127 120.400 -0.023 0.000 2.454 223 D HA 0.271 4.911 4.640 0.000 0.000 0.214 223 D C 0.019 176.480 176.300 0.268 0.000 1.088 223 D CA 1.088 55.163 54.000 0.125 0.000 0.855 223 D CB 1.355 42.295 40.800 0.233 0.000 1.025 223 D HN 0.631 nan 8.370 nan 0.000 0.502 224 F N -1.282 118.765 119.950 0.163 0.000 2.713 224 F HA 0.577 5.104 4.527 0.000 0.000 0.311 224 F C -1.461 174.459 175.800 0.199 0.000 1.141 224 F CA -1.375 56.730 58.000 0.175 0.000 0.939 224 F CB 0.981 40.161 39.000 0.300 0.000 1.325 224 F HN -0.404 nan 8.300 nan 0.000 0.453 225 V N 2.022 122.175 119.914 0.399 0.000 2.513 225 V HA 0.769 4.889 4.120 0.000 0.000 0.299 225 V C -0.537 175.785 176.094 0.380 0.000 1.035 225 V CA -0.266 62.200 62.300 0.276 0.000 0.889 225 V CB 1.763 33.695 31.823 0.181 0.000 0.988 225 V HN 1.059 nan 8.190 nan 0.000 0.440 226 S N 5.302 121.162 115.700 0.267 0.000 2.548 226 S HA 0.901 5.371 4.470 0.000 0.000 0.286 226 S C -0.880 173.720 174.600 0.001 0.000 1.098 226 S CA -0.935 57.405 58.200 0.233 0.000 0.930 226 S CB 2.811 66.249 63.200 0.397 0.000 1.070 226 S HN 0.633 nan 8.310 nan 0.000 0.480 227 R N 0.631 121.110 120.500 -0.036 0.000 2.629 227 R HA 0.355 4.695 4.340 0.000 0.000 0.266 227 R C -1.704 174.576 176.300 -0.034 0.000 1.051 227 R CA -0.382 55.640 56.100 -0.131 0.000 0.895 227 R CB 1.723 31.991 30.300 -0.053 0.000 1.246 227 R HN 1.049 nan 8.270 nan 0.000 0.459 228 H N 0.148 119.161 119.070 -0.096 0.000 2.502 228 H HA 0.750 5.306 4.556 0.000 0.000 0.338 228 H C -0.467 174.833 175.328 -0.046 0.000 1.155 228 H CA -1.006 54.975 56.048 -0.112 0.000 1.237 228 H CB 2.095 31.792 29.762 -0.108 0.000 1.534 228 H HN 0.607 nan 8.280 nan 0.000 0.523 229 A N 2.592 125.424 122.820 0.021 0.000 2.375 229 A HA 0.559 4.879 4.320 0.000 0.000 0.295 229 A C -1.789 175.705 177.584 -0.149 0.000 1.066 229 A CA -0.474 51.618 52.037 0.091 0.000 0.722 229 A CB 0.534 19.742 19.000 0.347 0.000 1.206 229 A HN 0.632 nan 8.150 nan 0.000 0.435 230 Y N -0.005 120.447 120.300 0.253 0.000 2.609 230 Y HA 0.550 5.100 4.550 0.000 0.000 0.342 230 Y C 1.274 177.307 175.900 0.222 0.000 1.058 230 Y CA -0.014 58.240 58.100 0.256 0.000 1.055 230 Y CB 2.720 41.381 38.460 0.334 0.000 1.292 230 Y HN 0.658 nan 8.280 nan 0.000 0.476 231 T N -3.537 111.229 114.554 0.354 0.000 3.132 231 T HA 0.177 4.527 4.350 0.000 0.000 0.274 231 T C -0.043 174.757 174.700 0.167 0.000 1.011 231 T CA -0.229 62.014 62.100 0.239 0.000 0.899 231 T CB -0.379 68.634 68.868 0.241 0.000 1.089 231 T HN 0.450 nan 8.240 nan 0.000 0.543 232 S N 1.339 117.122 115.700 0.138 0.000 2.554 232 S HA 0.540 5.010 4.470 0.000 0.000 0.278 232 S C -0.086 174.553 174.600 0.065 0.000 1.242 232 S CA -0.990 57.210 58.200 -0.001 0.000 1.051 232 S CB 1.441 64.508 63.200 -0.222 0.000 0.986 232 S HN 0.361 nan 8.310 nan 0.000 0.502 233 K N 1.166 121.609 120.400 0.071 0.000 2.117 233 K HA 0.538 4.858 4.320 0.000 0.000 0.240 233 K C 0.572 177.241 176.600 0.115 0.000 1.031 233 K CA -0.530 55.829 56.287 0.120 0.000 0.909 233 K CB 0.372 32.936 32.500 0.108 0.000 1.097 233 K HN 0.822 nan 8.250 nan 0.000 0.492 234 A N 2.019 124.935 122.820 0.160 0.000 2.555 234 A HA 0.125 4.445 4.320 0.000 0.000 0.233 234 A C -2.111 175.514 177.584 0.068 0.000 1.060 234 A CA -0.813 51.312 52.037 0.147 0.000 0.759 234 A CB -0.797 18.278 19.000 0.124 0.000 0.995 234 A HN 0.364 nan 8.150 nan 0.000 0.506 235 P HA 0.044 nan 4.420 nan 0.000 0.265 235 P C 0.322 177.598 177.300 -0.040 0.000 1.193 235 P CA 0.411 63.438 63.100 -0.122 0.000 0.765 235 P CB 0.230 31.699 31.700 -0.385 0.000 0.823 236 H N 2.018 121.089 119.070 0.001 0.000 2.551 236 H HA 0.321 4.877 4.556 0.000 0.000 0.271 236 H C 0.101 175.446 175.328 0.029 0.000 0.984 236 H CA 0.017 56.072 56.048 0.011 0.000 1.164 236 H CB 0.785 30.557 29.762 0.016 0.000 1.437 236 H HN 0.307 nan 8.280 nan 0.000 0.550 237 K N 0.823 121.111 120.400 -0.186 0.000 2.561 237 K HA 0.343 4.664 4.320 0.000 0.000 0.254 237 K C -1.667 174.948 176.600 0.025 0.000 0.942 237 K CA -0.598 55.681 56.287 -0.013 0.000 0.818 237 K CB 2.487 35.022 32.500 0.059 0.000 1.306 237 K HN 0.026 nan 8.250 nan 0.000 0.435 238 K N 1.638 122.063 120.400 0.042 0.000 2.318 238 K HA 0.495 4.815 4.320 0.000 0.000 0.249 238 K C -0.981 175.700 176.600 0.135 0.000 0.942 238 K CA -0.838 55.481 56.287 0.052 0.000 0.808 238 K CB 2.386 34.859 32.500 -0.046 0.000 1.189 238 K HN 0.502 nan 8.250 nan 0.000 0.428 239 T N 0.596 115.229 114.554 0.133 0.000 2.888 239 T HA 0.235 4.585 4.350 0.000 0.000 0.288 239 T C 0.549 175.276 174.700 0.044 0.000 1.063 239 T CA -0.697 61.464 62.100 0.101 0.000 1.010 239 T CB 0.432 69.346 68.868 0.076 0.000 1.214 239 T HN 0.550 nan 8.240 nan 0.000 0.533 240 F N 0.321 120.278 119.950 0.012 0.000 2.408 240 F HA 0.177 4.704 4.527 0.000 0.000 0.300 240 F C 1.429 177.189 175.800 -0.066 0.000 1.090 240 F CA 1.042 59.037 58.000 -0.008 0.000 1.427 240 F CB -0.319 38.673 39.000 -0.014 0.000 1.070 240 F HN 0.518 nan 8.300 nan 0.000 0.549 241 E N -1.568 118.087 120.200 -0.909 0.000 2.434 241 E HA 0.174 4.524 4.350 0.000 0.000 0.207 241 E C -0.548 175.690 176.600 -0.603 0.000 0.929 241 E CA 0.019 55.865 56.400 -0.922 0.000 1.001 241 E CB 0.360 29.105 29.700 -1.591 0.000 1.016 241 E HN 0.438 nan 8.360 nan 0.000 0.502 242 Y N -0.718 119.422 120.300 -0.267 0.000 2.545 242 Y HA 0.408 4.958 4.550 0.000 0.000 0.348 242 Y C -0.852 174.997 175.900 -0.086 0.000 1.002 242 Y CA -1.524 56.385 58.100 -0.319 0.000 1.039 242 Y CB 1.460 39.553 38.460 -0.611 0.000 1.271 242 Y HN -0.141 nan 8.280 nan 0.000 0.467 243 Y N 1.156 121.307 120.300 -0.248 0.000 2.352 243 Y HA 0.385 4.935 4.550 0.000 0.000 0.339 243 Y C -1.028 174.620 175.900 -0.420 0.000 0.992 243 Y CA -2.006 55.944 58.100 -0.249 0.000 1.100 243 Y CB 0.881 39.249 38.460 -0.153 0.000 1.192 243 Y HN 0.468 nan 8.280 nan 0.000 0.458 244 Y N 2.209 122.441 120.300 -0.112 0.000 2.352 244 Y HA 0.562 5.112 4.550 0.000 0.000 0.339 244 Y C -0.088 175.574 175.900 -0.398 0.000 0.992 244 Y CA -0.634 57.302 58.100 -0.274 0.000 1.100 244 Y CB 1.738 39.979 38.460 -0.365 0.000 1.192 244 Y HN 0.457 nan 8.280 nan 0.000 0.458 245 Q N 1.879 121.662 119.800 -0.028 0.000 2.345 245 Q HA 0.277 4.618 4.340 0.000 0.000 0.275 245 Q C -1.268 174.835 176.000 0.172 0.000 1.063 245 Q CA -1.023 54.809 55.803 0.048 0.000 0.819 245 Q CB 2.924 31.615 28.738 -0.078 0.000 1.356 245 Q HN 0.630 nan 8.270 nan 0.000 0.418 246 E N 1.496 121.835 120.200 0.233 0.000 2.390 246 E HA 0.317 4.667 4.350 0.000 0.000 0.261 246 E C -0.895 175.745 176.600 0.067 0.000 1.076 246 E CA -0.090 56.383 56.400 0.122 0.000 0.905 246 E CB 0.805 30.545 29.700 0.067 0.000 0.984 246 E HN 0.337 nan 8.360 nan 0.000 0.427 247 L N 2.537 123.796 121.223 0.060 0.000 2.346 247 L HA 0.339 4.679 4.340 0.000 0.000 0.274 247 L C 0.145 177.088 176.870 0.121 0.000 1.007 247 L CA -0.956 53.926 54.840 0.070 0.000 0.818 247 L CB 1.496 43.580 42.059 0.042 0.000 1.284 247 L HN 0.414 nan 8.230 nan 0.000 0.424 248 E N 2.651 122.940 120.200 0.148 0.000 2.349 248 E HA 0.289 4.639 4.350 0.000 0.000 0.262 248 E C -2.296 174.454 176.600 0.249 0.000 1.088 248 E CA -1.653 54.843 56.400 0.159 0.000 0.899 248 E CB 0.496 30.279 29.700 0.139 0.000 1.044 248 E HN 0.276 nan 8.360 nan 0.000 0.420 249 P HA 0.064 nan 4.420 nan 0.000 0.272 249 P C -2.097 175.201 177.300 -0.004 0.000 1.240 249 P CA -1.213 61.942 63.100 0.091 0.000 0.791 249 P CB -0.163 31.549 31.700 0.019 0.000 0.978 250 P HA -0.139 nan 4.420 nan 0.000 0.219 250 P C 1.409 178.574 177.300 -0.225 0.000 1.146 250 P CA 1.394 64.194 63.100 -0.500 0.000 0.808 250 P CB -0.083 31.177 31.700 -0.733 0.000 0.779 251 E N -0.217 119.891 120.200 -0.154 0.000 2.268 251 E HA -0.161 4.189 4.350 0.000 0.000 0.195 251 E C 1.203 177.743 176.600 -0.100 0.000 0.995 251 E CA 0.956 57.285 56.400 -0.117 0.000 0.836 251 E CB -0.412 29.245 29.700 -0.071 0.000 0.763 251 E HN 0.265 nan 8.360 nan 0.000 0.491 252 D N 0.158 120.528 120.400 -0.049 0.000 2.117 252 D HA -0.137 4.504 4.640 0.000 0.000 0.197 252 D C 1.885 178.162 176.300 -0.039 0.000 0.987 252 D CA 0.832 54.824 54.000 -0.014 0.000 0.829 252 D CB -0.131 40.698 40.800 0.049 0.000 0.961 252 D HN 0.130 nan 8.370 nan 0.000 0.460 253 M N -0.142 119.420 119.600 -0.063 0.000 2.099 253 M HA -0.108 4.372 4.480 0.000 0.000 0.262 253 M C 1.730 177.736 176.300 -0.490 0.000 1.067 253 M CA 1.202 56.395 55.300 -0.178 0.000 1.124 253 M CB -0.001 32.507 32.600 -0.153 0.000 1.353 253 M HN 0.023 nan 8.290 nan 0.000 0.410 254 L N -0.183 120.729 121.223 -0.519 0.000 2.127 254 L HA -0.236 4.104 4.340 0.000 0.000 0.211 254 L C 2.143 178.782 176.870 -0.386 0.000 1.089 254 L CA 1.432 55.946 54.840 -0.544 0.000 0.757 254 L CB -0.718 41.155 42.059 -0.310 0.000 0.899 254 L HN 0.378 nan 8.230 nan 0.000 0.434 255 E N -0.456 119.597 120.200 -0.246 0.000 2.152 255 E HA -0.205 4.145 4.350 0.000 0.000 0.192 255 E C 2.260 178.803 176.600 -0.095 0.000 0.983 255 E CA 0.754 57.049 56.400 -0.175 0.000 0.818 255 E CB 0.037 29.675 29.700 -0.103 0.000 0.758 255 E HN 0.576 nan 8.360 nan 0.000 0.467 256 Q N -0.086 119.696 119.800 -0.029 0.000 2.020 256 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 256 Q C 1.981 178.091 176.000 0.183 0.000 0.982 256 Q CA 1.181 57.036 55.803 0.086 0.000 0.838 256 Q CB -0.223 28.605 28.738 0.151 0.000 0.899 256 Q HN 0.237 nan 8.270 nan 0.000 0.423 257 F N 1.526 121.405 119.950 -0.118 0.000 2.087 257 F HA -0.229 4.298 4.527 0.000 0.000 0.299 257 F C 2.202 177.919 175.800 -0.138 0.000 1.100 257 F CA 1.249 59.187 58.000 -0.104 0.000 1.226 257 F CB -0.670 38.277 39.000 -0.088 0.000 0.983 257 F HN 0.024 nan 8.300 nan 0.000 0.479 258 K N -0.800 119.522 120.400 -0.130 0.000 2.148 258 K HA -0.106 4.214 4.320 0.000 0.000 0.204 258 K C 2.058 178.606 176.600 -0.086 0.000 1.050 258 K CA 1.554 57.678 56.287 -0.271 0.000 0.942 258 K CB -0.233 31.950 32.500 -0.528 0.000 0.724 258 K HN 0.195 nan 8.250 nan 0.000 0.446 259 T N 0.493 115.019 114.554 -0.046 0.000 2.851 259 T HA -0.061 4.290 4.350 0.000 0.000 0.262 259 T C 1.818 176.534 174.700 0.027 0.000 1.043 259 T CA 0.871 62.969 62.100 -0.004 0.000 1.140 259 T CB 0.088 68.958 68.868 0.004 0.000 0.872 259 T HN -0.061 nan 8.240 nan 0.000 0.446 260 V N 1.854 121.792 119.914 0.041 0.000 2.358 260 V HA -0.116 4.004 4.120 0.000 0.000 0.246 260 V C 2.583 178.706 176.094 0.048 0.000 1.047 260 V CA 1.552 63.881 62.300 0.048 0.000 1.035 260 V CB -0.570 31.278 31.823 0.042 0.000 0.658 260 V HN 0.262 nan 8.190 nan 0.000 0.452 261 R N 1.587 122.115 120.500 0.048 0.000 2.091 261 R HA -0.140 4.200 4.340 0.000 0.000 0.238 261 R C 2.106 178.439 176.300 0.056 0.000 1.136 261 R CA 2.130 58.266 56.100 0.059 0.000 0.959 261 R CB -1.016 29.340 30.300 0.093 0.000 0.856 261 R HN 0.426 nan 8.270 nan 0.000 0.437 262 A N 0.402 123.249 122.820 0.044 0.000 1.930 262 A HA -0.044 4.276 4.320 0.000 0.000 0.217 262 A C 2.310 179.919 177.584 0.041 0.000 1.175 262 A CA 1.379 53.439 52.037 0.039 0.000 0.627 262 A CB -0.560 18.455 19.000 0.026 0.000 0.815 262 A HN 0.373 nan 8.150 nan 0.000 0.443 263 L N -0.555 120.697 121.223 0.048 0.000 2.079 263 L HA -0.208 4.132 4.340 0.000 0.000 0.210 263 L C 2.435 179.346 176.870 0.068 0.000 1.081 263 L CA 1.295 56.171 54.840 0.060 0.000 0.752 263 L CB -0.487 41.617 42.059 0.074 0.000 0.896 263 L HN 0.408 nan 8.230 nan 0.000 0.433 264 I N -0.706 119.906 120.570 0.070 0.000 2.202 264 I HA -0.265 3.905 4.170 0.000 0.000 0.242 264 I C 2.622 178.768 176.117 0.047 0.000 1.091 264 I CA 1.169 62.515 61.300 0.077 0.000 1.368 264 I CB -0.348 37.700 38.000 0.081 0.000 1.058 264 I HN 0.176 nan 8.210 nan 0.000 0.410 265 R N 0.559 121.078 120.500 0.032 0.000 2.193 265 R HA -0.183 4.157 4.340 0.000 0.000 0.229 265 R C 1.955 178.249 176.300 -0.010 0.000 1.110 265 R CA 1.078 57.179 56.100 0.002 0.000 0.988 265 R CB -0.302 30.010 30.300 0.020 0.000 0.871 265 R HN 0.504 nan 8.270 nan 0.000 0.458 266 Q N 0.346 120.153 119.800 0.012 0.000 2.425 266 Q HA 0.015 4.355 4.340 0.000 0.000 0.204 266 Q C 0.593 176.597 176.000 0.006 0.000 0.933 266 Q CA 0.301 56.109 55.803 0.008 0.000 0.939 266 Q CB 0.629 29.381 28.738 0.023 0.000 1.044 266 Q HN 0.228 nan 8.270 nan 0.000 0.513 267 S N -0.470 115.240 115.700 0.016 0.000 2.713 267 S HA 0.283 4.753 4.470 0.000 0.000 0.277 267 S C -1.976 172.599 174.600 -0.042 0.000 1.168 267 S CA -1.297 56.921 58.200 0.031 0.000 0.994 267 S CB 0.495 63.757 63.200 0.103 0.000 1.054 267 S HN -0.174 nan 8.310 nan 0.000 0.555 268 P HA 0.136 nan 4.420 nan 0.000 0.231 268 P C -0.554 176.396 177.300 -0.585 0.000 1.158 268 P CA 0.919 63.810 63.100 -0.348 0.000 0.763 268 P CB -0.242 31.186 31.700 -0.453 0.000 0.805 269 F N -0.396 119.507 119.950 -0.079 0.000 2.660 269 F HA 0.316 4.843 4.527 0.000 0.000 0.352 269 F C -1.600 174.140 175.800 -0.101 0.000 1.257 269 F CA -2.182 55.774 58.000 -0.073 0.000 1.200 269 F CB 1.224 40.198 39.000 -0.043 0.000 1.473 269 F HN -0.127 nan 8.300 nan 0.000 0.561 270 P HA -0.126 nan 4.420 nan 0.000 0.223 270 P C 0.508 177.663 177.300 -0.243 0.000 1.151 270 P CA 1.564 64.523 63.100 -0.235 0.000 0.787 270 P CB 0.030 31.453 31.700 -0.461 0.000 0.788 271 H N -1.526 117.610 119.070 0.109 0.000 2.520 271 H HA 0.265 4.821 4.556 0.000 0.000 0.284 271 H C 0.693 176.078 175.328 0.094 0.000 1.037 271 H CA -0.605 55.495 56.048 0.087 0.000 1.168 271 H CB -0.335 29.471 29.762 0.074 0.000 1.497 271 H HN 0.030 nan 8.280 nan 0.000 0.547 272 L N 3.032 124.363 121.223 0.179 0.000 2.499 272 L HA 0.100 4.440 4.340 0.000 0.000 0.273 272 L C -1.858 175.075 176.870 0.105 0.000 1.195 272 L CA -1.964 52.967 54.840 0.151 0.000 0.882 272 L CB 0.307 42.442 42.059 0.128 0.000 1.133 272 L HN 0.024 nan 8.230 nan 0.000 0.483 273 P HA -0.011 nan 4.420 nan 0.000 0.266 273 P C -0.752 176.494 177.300 -0.090 0.000 1.193 273 P CA 0.107 63.166 63.100 -0.068 0.000 0.770 273 P CB 0.539 32.175 31.700 -0.108 0.000 0.836 274 L N 4.136 125.218 121.223 -0.233 0.000 2.325 274 L HA 0.348 4.688 4.340 0.000 0.000 0.281 274 L C -0.481 176.180 176.870 -0.348 0.000 1.004 274 L CA -0.599 54.144 54.840 -0.161 0.000 0.823 274 L CB 0.656 42.658 42.059 -0.095 0.000 1.236 274 L HN 0.454 nan 8.230 nan 0.000 0.415 275 H N 6.223 125.320 119.070 0.045 0.000 2.539 275 H HA 0.354 4.910 4.556 0.000 0.000 0.332 275 H C -0.363 174.941 175.328 -0.040 0.000 1.031 275 H CA -0.693 55.344 56.048 -0.017 0.000 1.206 275 H CB 2.338 32.099 29.762 -0.000 0.000 1.446 275 H HN 0.383 nan 8.280 nan 0.000 0.496 276 I N 4.130 124.700 120.570 0.001 0.000 2.269 276 I HA -0.025 4.145 4.170 0.000 0.000 0.293 276 I C 1.647 177.788 176.117 0.040 0.000 1.106 276 I CA -0.000 61.267 61.300 -0.055 0.000 1.248 276 I CB 0.238 38.044 38.000 -0.323 0.000 1.444 276 I HN 0.587 nan 8.210 nan 0.000 0.497 277 T N 1.786 116.357 114.554 0.027 0.000 3.113 277 T HA 0.192 4.542 4.350 0.000 0.000 0.256 277 T C 0.547 175.096 174.700 -0.252 0.000 1.131 277 T CA 0.248 62.258 62.100 -0.149 0.000 1.074 277 T CB 0.173 68.902 68.868 -0.233 0.000 0.944 277 T HN 0.563 nan 8.240 nan 0.000 0.516 278 E N 0.358 120.388 120.200 -0.283 0.000 2.304 278 E HA 0.519 4.869 4.350 0.000 0.000 0.277 278 E C -1.769 174.650 176.600 -0.303 0.000 0.898 278 E CA -1.148 54.956 56.400 -0.494 0.000 0.764 278 E CB 2.162 31.171 29.700 -1.151 0.000 1.216 278 E HN 0.571 nan 8.360 nan 0.000 0.419 279 Y N 1.013 121.085 120.300 -0.379 0.000 2.571 279 Y HA 0.724 5.274 4.550 0.000 0.000 0.341 279 Y C -1.180 174.482 175.900 -0.397 0.000 1.076 279 Y CA -0.644 57.179 58.100 -0.461 0.000 1.029 279 Y CB 1.926 40.397 38.460 0.018 0.000 1.308 279 Y HN 0.614 nan 8.280 nan 0.000 0.461 280 N N -0.885 117.606 118.700 -0.349 0.000 3.339 280 N HA 0.235 4.975 4.740 0.000 0.000 0.275 280 N C 0.168 175.821 175.510 0.238 0.000 1.514 280 N CA -0.125 52.875 53.050 -0.083 0.000 0.879 280 N CB 1.455 39.899 38.487 -0.071 0.000 1.557 280 N HN 0.876 nan 8.380 nan 0.000 0.524 281 T N -1.686 112.983 114.554 0.193 0.000 2.698 281 T HA 0.005 4.355 4.350 0.000 0.000 0.260 281 T C 1.018 175.832 174.700 0.190 0.000 1.044 281 T CA 0.956 63.053 62.100 -0.004 0.000 1.149 281 T CB -0.417 68.264 68.868 -0.312 0.000 0.864 281 T HN 0.305 nan 8.240 nan 0.000 0.419 282 S N 0.863 116.729 115.700 0.276 0.000 2.509 282 S HA 0.424 4.894 4.470 0.000 0.000 0.297 282 S C 0.333 175.093 174.600 0.267 0.000 1.118 282 S CA -1.023 57.231 58.200 0.090 0.000 1.074 282 S CB 0.912 63.986 63.200 -0.209 0.000 1.038 282 S HN 0.528 nan 8.310 nan 0.000 0.498 283 Y N 2.578 122.844 120.300 -0.057 0.000 2.462 283 Y HA 0.444 4.994 4.550 0.000 0.000 0.293 283 Y C 0.681 176.685 175.900 0.173 0.000 1.195 283 Y CA -0.679 57.134 58.100 -0.479 0.000 1.276 283 Y CB -0.817 37.026 38.460 -1.027 0.000 1.082 283 Y HN 0.460 nan 8.280 nan 0.000 0.514 284 S N 3.015 118.820 115.700 0.175 0.000 2.437 284 S HA 0.375 4.845 4.470 0.000 0.000 0.305 284 S C -2.023 172.303 174.600 -0.458 0.000 1.109 284 S CA -1.809 56.397 58.200 0.010 0.000 1.099 284 S CB 1.265 64.394 63.200 -0.119 0.000 1.004 284 S HN 0.138 nan 8.310 nan 0.000 0.475 285 P HA 0.177 nan 4.420 nan 0.000 0.255 285 P C 0.347 177.382 177.300 -0.442 0.000 1.357 285 P CA 0.208 62.656 63.100 -1.087 0.000 0.839 285 P CB -0.682 30.708 31.700 -0.517 0.000 1.356 286 I N -4.369 116.010 120.570 -0.318 0.000 3.171 286 I HA 0.438 4.608 4.170 0.000 0.000 0.329 286 I C -0.452 175.565 176.117 -0.166 0.000 1.522 286 I CA -0.727 60.476 61.300 -0.162 0.000 0.948 286 I CB -0.082 37.811 38.000 -0.179 0.000 1.527 286 I HN -0.285 nan 8.210 nan 0.000 0.547 287 N N 3.012 121.550 118.700 -0.271 0.000 2.469 287 N HA 0.407 5.148 4.740 0.000 0.000 0.253 287 N C -1.919 173.311 175.510 -0.467 0.000 0.970 287 N CA -2.266 50.547 53.050 -0.395 0.000 0.940 287 N CB 1.975 40.187 38.487 -0.459 0.000 1.128 287 N HN -0.057 nan 8.380 nan 0.000 0.503 288 P HA -0.152 nan 4.420 nan 0.000 0.222 288 P C 1.406 178.408 177.300 -0.497 0.000 1.142 288 P CA 0.831 63.665 63.100 -0.443 0.000 0.788 288 P CB 0.178 31.640 31.700 -0.397 0.000 0.767 289 V N -2.620 117.015 119.914 -0.465 0.000 2.453 289 V HA -0.293 3.827 4.120 0.000 0.000 0.252 289 V C 2.065 177.921 176.094 -0.396 0.000 1.068 289 V CA 1.952 63.993 62.300 -0.432 0.000 1.070 289 V CB -1.954 29.647 31.823 -0.370 0.000 0.664 289 V HN 0.246 nan 8.190 nan 0.000 0.461 290 H N 0.580 119.482 119.070 -0.281 0.000 2.521 290 H HA -0.010 4.546 4.556 0.000 0.000 0.286 290 H C 1.427 176.608 175.328 -0.246 0.000 1.034 290 H CA 1.501 57.431 56.048 -0.197 0.000 1.278 290 H CB -0.173 29.481 29.762 -0.181 0.000 1.386 290 H HN 0.553 nan 8.280 nan 0.000 0.567 291 D N 0.873 121.076 120.400 -0.328 0.000 2.328 291 D HA 0.004 4.644 4.640 0.000 0.000 0.221 291 D C 1.013 176.957 176.300 -0.593 0.000 1.072 291 D CA 0.235 53.969 54.000 -0.443 0.000 0.850 291 D CB 0.441 40.856 40.800 -0.641 0.000 0.922 291 D HN 0.400 nan 8.370 nan 0.000 0.516 292 T N -3.514 110.740 114.554 -0.499 0.000 2.948 292 T HA 0.613 4.963 4.350 0.000 0.000 0.285 292 T C 1.350 175.963 174.700 -0.145 0.000 1.019 292 T CA -0.525 61.289 62.100 -0.475 0.000 1.013 292 T CB 2.183 70.716 68.868 -0.557 0.000 1.117 292 T HN -0.158 nan 8.240 nan 0.000 0.533 293 A N 0.333 123.133 122.820 -0.034 0.000 2.015 293 A HA 0.103 4.423 4.320 0.000 0.000 0.219 293 A C 2.149 179.775 177.584 0.070 0.000 1.163 293 A CA 1.234 53.306 52.037 0.058 0.000 0.646 293 A CB -1.077 17.985 19.000 0.103 0.000 0.806 293 A HN 0.917 nan 8.150 nan 0.000 0.448 294 L N 0.243 121.490 121.223 0.040 0.000 2.013 294 L HA -0.256 4.084 4.340 0.000 0.000 0.212 294 L C 2.225 179.165 176.870 0.116 0.000 1.073 294 L CA 2.309 57.198 54.840 0.080 0.000 0.753 294 L CB -0.487 41.598 42.059 0.043 0.000 0.890 294 L HN 0.524 nan 8.230 nan 0.000 0.432 295 N N -0.520 118.209 118.700 0.048 0.000 2.104 295 N HA -0.222 4.518 4.740 0.000 0.000 0.190 295 N C 1.790 177.390 175.510 0.150 0.000 1.024 295 N CA 1.410 54.513 53.050 0.087 0.000 0.853 295 N CB -0.042 38.480 38.487 0.058 0.000 1.008 295 N HN 0.559 nan 8.380 nan 0.000 0.424 296 A N 0.956 123.842 122.820 0.110 0.000 1.877 296 A HA -0.010 4.310 4.320 0.000 0.000 0.216 296 A C 2.348 179.995 177.584 0.105 0.000 1.186 296 A CA 1.821 53.919 52.037 0.102 0.000 0.620 296 A CB -0.826 18.234 19.000 0.101 0.000 0.822 296 A HN 0.423 nan 8.150 nan 0.000 0.443 297 A N -1.876 121.035 122.820 0.151 0.000 1.930 297 A HA -0.084 4.236 4.320 0.000 0.000 0.217 297 A C 2.127 179.755 177.584 0.073 0.000 1.175 297 A CA 1.541 53.679 52.037 0.169 0.000 0.627 297 A CB -0.740 18.401 19.000 0.236 0.000 0.815 297 A HN 0.687 nan 8.150 nan 0.000 0.443 298 Y N 0.187 120.497 120.300 0.017 0.000 2.133 298 Y HA -0.184 4.366 4.550 0.000 0.000 0.287 298 Y C 2.131 177.996 175.900 -0.058 0.000 1.134 298 Y CA 1.682 59.784 58.100 0.004 0.000 1.133 298 Y CB -0.006 38.490 38.460 0.061 0.000 0.987 298 Y HN 0.224 nan 8.280 nan 0.000 0.502 299 I N 0.400 121.142 120.570 0.288 0.000 2.286 299 I HA -0.269 3.901 4.170 0.000 0.000 0.248 299 I C 2.645 178.643 176.117 -0.200 0.000 1.115 299 I CA 1.459 62.872 61.300 0.188 0.000 1.392 299 I CB -1.975 36.176 38.000 0.251 0.000 1.065 299 I HN 0.352 nan 8.210 nan 0.000 0.418 300 A N 0.768 123.363 122.820 -0.375 0.000 1.940 300 A HA -0.273 4.047 4.320 0.000 0.000 0.219 300 A C 2.433 179.346 177.584 -1.118 0.000 1.176 300 A CA 2.024 53.640 52.037 -0.702 0.000 0.631 300 A CB -0.581 18.131 19.000 -0.480 0.000 0.814 300 A HN 0.319 nan 8.150 nan 0.000 0.446 301 R N 0.216 120.085 120.500 -1.053 0.000 2.081 301 R HA -0.047 4.293 4.340 0.000 0.000 0.235 301 R C 1.677 177.742 176.300 -0.391 0.000 1.131 301 R CA 1.922 57.612 56.100 -0.684 0.000 0.960 301 R CB -0.766 29.322 30.300 -0.353 0.000 0.856 301 R HN 0.552 nan 8.270 nan 0.000 0.436 302 I N 0.183 120.556 120.570 -0.328 0.000 2.252 302 I HA -0.249 3.921 4.170 0.000 0.000 0.245 302 I C 2.043 178.049 176.117 -0.185 0.000 1.102 302 I CA 1.118 62.261 61.300 -0.262 0.000 1.385 302 I CB -0.300 37.612 38.000 -0.147 0.000 1.064 302 I HN 0.108 nan 8.210 nan 0.000 0.414 303 L N -0.255 120.815 121.223 -0.255 0.000 2.079 303 L HA -0.231 4.109 4.340 0.000 0.000 0.210 303 L C 2.690 179.428 176.870 -0.221 0.000 1.081 303 L CA 1.316 55.955 54.840 -0.334 0.000 0.752 303 L CB -0.678 40.514 42.059 -1.444 0.000 0.896 303 L HN 0.256 nan 8.230 nan 0.000 0.433 304 S N -0.688 114.864 115.700 -0.246 0.000 2.402 304 S HA -0.160 4.310 4.470 0.000 0.000 0.229 304 S C 1.687 176.416 174.600 0.215 0.000 1.021 304 S CA 1.610 59.892 58.200 0.136 0.000 0.974 304 S CB 0.096 63.363 63.200 0.111 0.000 0.800 304 S HN 0.518 nan 8.310 nan 0.000 0.484 305 E N -1.514 118.725 120.200 0.065 0.000 2.535 305 E HA 0.198 4.548 4.350 0.000 0.000 0.216 305 E C 1.912 178.446 176.600 -0.111 0.000 0.845 305 E CA 0.355 56.763 56.400 0.014 0.000 1.306 305 E CB -0.135 29.579 29.700 0.024 0.000 1.291 305 E HN 0.461 nan 8.360 nan 0.000 0.635 306 G N 1.231 109.885 108.800 -0.244 0.000 2.469 306 G HA2 -0.278 3.682 3.960 0.000 0.000 0.220 306 G HA3 -0.278 3.682 3.960 0.000 0.000 0.220 306 G C 1.477 176.191 174.900 -0.309 0.000 1.136 306 G CA 0.971 45.789 45.100 -0.470 0.000 0.759 306 G HN 0.352 nan 8.290 nan 0.000 0.562 307 G N 0.322 109.094 108.800 -0.047 0.000 2.535 307 G HA2 -0.070 3.890 3.960 0.000 0.000 0.218 307 G HA3 -0.070 3.890 3.960 0.000 0.000 0.218 307 G C 1.284 176.142 174.900 -0.071 0.000 1.122 307 G CA 1.025 46.217 45.100 0.154 0.000 0.769 307 G HN 0.343 nan 8.290 nan 0.000 0.549 308 D N -0.305 119.906 120.400 -0.314 0.000 2.224 308 D HA -0.032 4.608 4.640 0.000 0.000 0.205 308 D C 1.553 177.565 176.300 -0.479 0.000 0.965 308 D CA 0.764 54.464 54.000 -0.500 0.000 0.852 308 D CB -0.101 40.157 40.800 -0.903 0.000 0.947 308 D HN 0.593 nan 8.370 nan 0.000 0.494 309 Y N -0.154 120.168 120.300 0.037 0.000 2.507 309 Y HA 0.144 4.694 4.550 0.000 0.000 0.263 309 Y C 1.005 176.896 175.900 -0.015 0.000 1.093 309 Y CA -0.442 57.678 58.100 0.034 0.000 1.285 309 Y CB 0.827 39.344 38.460 0.095 0.000 1.115 309 Y HN -0.221 nan 8.280 nan 0.000 0.533 310 V N -3.974 115.968 119.914 0.047 0.000 3.114 310 V HA 0.409 4.529 4.120 0.000 0.000 0.308 310 V C -0.781 175.275 176.094 -0.063 0.000 1.168 310 V CA -1.000 61.266 62.300 -0.057 0.000 1.015 310 V CB 1.978 33.669 31.823 -0.220 0.000 1.050 310 V HN -0.085 nan 8.190 nan 0.000 0.433 311 D N 1.480 121.771 120.400 -0.182 0.000 2.234 311 D HA 0.202 4.842 4.640 0.000 0.000 0.205 311 D C 0.810 176.991 176.300 -0.199 0.000 0.962 311 D CA 1.807 55.652 54.000 -0.257 0.000 0.855 311 D CB 0.259 40.766 40.800 -0.489 0.000 0.951 311 D HN 1.051 nan 8.370 nan 0.000 0.500 312 S N -0.335 115.358 115.700 -0.012 0.000 2.552 312 S HA 0.579 5.049 4.470 0.000 0.000 0.272 312 S C -1.751 173.025 174.600 0.293 0.000 1.150 312 S CA -1.202 57.093 58.200 0.158 0.000 0.849 312 S CB 0.689 64.000 63.200 0.184 0.000 1.113 312 S HN 0.111 nan 8.310 nan 0.000 0.458 313 F N -0.456 119.566 119.950 0.120 0.000 2.730 313 F HA 0.782 5.309 4.527 0.000 0.000 0.335 313 F C -0.449 175.598 175.800 0.412 0.000 1.212 313 F CA -1.009 57.057 58.000 0.109 0.000 1.016 313 F CB 1.333 40.248 39.000 -0.141 0.000 1.290 313 F HN 0.595 nan 8.300 nan 0.000 0.495 314 S N 3.900 119.833 115.700 0.389 0.000 2.420 314 S HA 0.331 4.801 4.470 0.000 0.000 0.313 314 S C -0.935 173.757 174.600 0.154 0.000 1.079 314 S CA -0.375 57.938 58.200 0.189 0.000 1.104 314 S CB 0.021 63.206 63.200 -0.024 0.000 0.969 314 S HN 0.633 nan 8.310 nan 0.000 0.471 315 Y N 5.806 126.056 120.300 -0.084 0.000 2.650 315 Y HA 0.115 4.665 4.550 0.000 0.000 0.331 315 Y C -0.020 175.682 175.900 -0.329 0.000 1.165 315 Y CA 0.136 57.963 58.100 -0.454 0.000 1.473 315 Y CB 0.337 38.630 38.460 -0.278 0.000 1.224 315 Y HN 0.734 nan 8.280 nan 0.000 0.533 316 W N 9.814 130.467 121.300 -1.078 0.000 2.316 316 W HA 0.357 5.017 4.660 0.000 0.000 0.339 316 W C -1.092 174.805 176.519 -1.036 0.000 1.002 316 W CA -0.213 56.595 57.345 -0.894 0.000 1.465 316 W CB 0.733 29.669 29.460 -0.875 0.000 1.300 316 W HN 0.747 nan 8.180 nan 0.000 0.378 317 T N 1.216 115.335 114.554 -0.724 0.000 2.787 317 T HA 0.277 4.627 4.350 0.000 0.000 0.297 317 T C 0.422 174.961 174.700 -0.269 0.000 1.221 317 T CA -0.693 61.025 62.100 -0.637 0.000 1.006 317 T CB 1.048 69.305 68.868 -1.019 0.000 1.328 317 T HN 0.294 nan 8.240 nan 0.000 0.509 318 F N 0.078 119.802 119.950 -0.376 0.000 2.451 318 F HA 0.459 4.986 4.527 0.000 0.000 0.299 318 F C 0.583 176.249 175.800 -0.223 0.000 1.101 318 F CA 0.381 58.194 58.000 -0.312 0.000 1.436 318 F CB -0.172 38.603 39.000 -0.375 0.000 1.074 318 F HN 0.657 nan 8.300 nan 0.000 0.553 319 S N -0.481 114.615 115.700 -1.008 0.000 2.537 319 S HA 0.254 4.724 4.470 0.000 0.000 0.270 319 S C -0.208 174.099 174.600 -0.488 0.000 1.142 319 S CA -0.743 56.939 58.200 -0.862 0.000 0.870 319 S CB 1.167 63.476 63.200 -1.485 0.000 1.112 319 S HN 0.119 nan 8.310 nan 0.000 0.466 320 D N 1.527 121.771 120.400 -0.259 0.000 2.371 320 D HA 0.062 4.702 4.640 0.000 0.000 0.221 320 D C 0.459 176.750 176.300 -0.016 0.000 0.986 320 D CA 0.565 54.500 54.000 -0.108 0.000 0.899 320 D CB -0.007 40.776 40.800 -0.027 0.000 0.902 320 D HN 0.322 nan 8.370 nan 0.000 0.530 321 V N 1.986 121.849 119.914 -0.085 0.000 2.400 321 V HA 0.076 4.196 4.120 0.000 0.000 0.263 321 V C -0.278 175.872 176.094 0.095 0.000 1.026 321 V CA 0.339 62.615 62.300 -0.039 0.000 1.077 321 V CB -0.942 30.827 31.823 -0.089 0.000 1.054 321 V HN -0.040 nan 8.190 nan 0.000 0.477 322 F N 3.181 123.077 119.950 -0.090 0.000 2.690 322 F HA 0.391 4.918 4.527 0.000 0.000 0.311 322 F C 0.323 176.118 175.800 -0.009 0.000 1.111 322 F CA -0.579 57.392 58.000 -0.050 0.000 1.003 322 F CB 2.085 41.052 39.000 -0.055 0.000 1.283 322 F HN 0.418 nan 8.300 nan 0.000 0.442 323 E N 2.259 122.365 120.200 -0.157 0.000 2.789 323 E HA 0.067 4.417 4.350 0.000 0.000 0.217 323 E C 0.694 177.384 176.600 0.150 0.000 0.970 323 E CA 0.034 56.461 56.400 0.044 0.000 1.201 323 E CB 0.670 30.486 29.700 0.194 0.000 1.069 323 E HN 0.721 nan 8.360 nan 0.000 0.499 324 E N 0.843 120.965 120.200 -0.130 0.000 2.097 324 E HA -0.144 4.206 4.350 0.000 0.000 0.196 324 E C 1.055 177.701 176.600 0.077 0.000 1.000 324 E CA 1.018 57.287 56.400 -0.219 0.000 0.804 324 E CB 0.114 29.520 29.700 -0.491 0.000 0.740 324 E HN 0.189 nan 8.360 nan 0.000 0.454 325 M N 1.209 120.865 119.600 0.092 0.000 2.771 325 M HA 0.177 4.657 4.480 0.000 0.000 0.341 325 M C -0.523 175.714 176.300 -0.105 0.000 1.226 325 M CA 0.069 55.393 55.300 0.040 0.000 0.955 325 M CB -0.197 32.401 32.600 -0.003 0.000 1.318 325 M HN -0.069 nan 8.290 nan 0.000 0.514 326 D N 0.072 120.313 120.400 -0.265 0.000 10.639 326 D HA -0.143 4.497 4.640 0.000 0.000 0.349 326 D C -0.763 175.281 176.300 -0.426 0.000 3.131 326 D CA 0.186 53.711 54.000 -0.791 0.000 2.623 326 D CB 0.561 40.996 40.800 -0.609 0.000 1.239 326 D HN 0.064 nan 8.370 nan 0.000 0.947 327 V N 2.324 121.979 119.914 -0.432 0.000 2.584 327 V HA 0.116 4.236 4.120 0.000 0.000 0.303 327 V C -1.421 174.544 176.094 -0.216 0.000 1.035 327 V CA -0.322 61.841 62.300 -0.228 0.000 1.172 327 V CB -0.060 31.667 31.823 -0.161 0.000 0.896 327 V HN 0.414 nan 8.190 nan 0.000 0.486 328 P HA 0.057 nan 4.420 nan 0.000 0.264 328 P C 0.339 177.512 177.300 -0.211 0.000 1.183 328 P CA 0.252 63.049 63.100 -0.505 0.000 0.763 328 P CB 0.348 31.507 31.700 -0.903 0.000 0.807 329 K N 1.270 121.587 120.400 -0.138 0.000 2.374 329 K HA 0.434 4.754 4.320 0.000 0.000 0.196 329 K C 0.384 177.017 176.600 0.055 0.000 1.023 329 K CA 0.064 56.384 56.287 0.055 0.000 1.103 329 K CB 0.508 33.032 32.500 0.040 0.000 0.848 329 K HN 0.512 nan 8.250 nan 0.000 0.528 330 A N 0.187 123.019 122.820 0.020 0.000 2.608 330 A HA 0.210 4.530 4.320 0.000 0.000 0.292 330 A C 0.274 177.888 177.584 0.049 0.000 1.066 330 A CA -0.739 51.312 52.037 0.024 0.000 0.676 330 A CB 0.396 19.520 19.000 0.208 0.000 1.277 330 A HN 0.052 nan 8.150 nan 0.000 0.413 331 L N -0.145 121.040 121.223 -0.064 0.000 1.991 331 L HA -0.116 4.224 4.340 0.000 0.000 0.221 331 L C 0.096 176.570 176.870 -0.661 0.000 1.079 331 L CA 1.939 56.566 54.840 -0.355 0.000 0.778 331 L CB -0.270 41.453 42.059 -0.562 0.000 0.893 331 L HN 0.685 nan 8.230 nan 0.000 0.437 332 F N -0.406 119.115 119.950 -0.716 0.000 2.388 332 F HA 0.226 4.753 4.527 0.000 0.000 0.358 332 F C 0.927 176.542 175.800 -0.308 0.000 1.122 332 F CA -0.560 57.048 58.000 -0.652 0.000 1.056 332 F CB 0.828 39.348 39.000 -0.800 0.000 1.155 332 F HN 0.158 nan 8.300 nan 0.000 0.461 333 H N 1.077 120.150 119.070 0.004 0.000 3.297 333 H HA 0.323 4.879 4.556 0.000 0.000 0.254 333 H C 1.061 176.427 175.328 0.064 0.000 1.192 333 H CA 0.060 56.174 56.048 0.110 0.000 1.058 333 H CB 0.584 30.341 29.762 -0.007 0.000 1.777 333 H HN 0.790 nan 8.280 nan 0.000 0.696 334 G N 0.935 109.556 108.800 -0.298 0.000 2.132 334 G HA2 -0.229 3.731 3.960 0.000 0.000 0.234 334 G HA3 -0.229 3.731 3.960 0.000 0.000 0.234 334 G C 0.630 175.391 174.900 -0.233 0.000 0.989 334 G CA 0.019 44.981 45.100 -0.230 0.000 0.676 334 G HN 0.843 nan 8.290 nan 0.000 0.522 335 G N -1.138 107.363 108.800 -0.498 0.000 2.606 335 G HA2 0.491 4.451 3.960 0.000 0.000 0.252 335 G HA3 0.491 4.451 3.960 0.000 0.000 0.252 335 G C 0.783 175.380 174.900 -0.506 0.000 1.206 335 G CA -0.347 44.481 45.100 -0.452 0.000 0.861 335 G HN 0.221 nan 8.290 nan 0.000 0.561 336 F N 0.812 120.387 119.950 -0.624 0.000 2.451 336 F HA 0.076 4.603 4.527 0.000 0.000 0.299 336 F C 2.301 177.791 175.800 -0.517 0.000 1.101 336 F CA 0.210 57.705 58.000 -0.841 0.000 1.436 336 F CB 0.051 38.476 39.000 -0.959 0.000 1.074 336 F HN 0.480 nan 8.300 nan 0.000 0.553 337 G N 0.318 108.963 108.800 -0.258 0.000 2.491 337 G HA2 0.192 4.152 3.960 0.000 0.000 0.242 337 G HA3 0.192 4.152 3.960 0.000 0.000 0.242 337 G C 0.840 175.681 174.900 -0.099 0.000 1.266 337 G CA -0.540 44.422 45.100 -0.229 0.000 0.844 337 G HN 0.208 nan 8.290 nan 0.000 0.571 338 L N 0.993 122.165 121.223 -0.085 0.000 2.141 338 L HA 0.004 4.344 4.340 0.000 0.000 0.209 338 L C 0.550 177.356 176.870 -0.107 0.000 1.094 338 L CA 0.651 55.445 54.840 -0.077 0.000 0.763 338 L CB -0.323 41.697 42.059 -0.065 0.000 0.908 338 L HN 0.182 nan 8.230 nan 0.000 0.437 339 V N -0.328 119.444 119.914 -0.238 0.000 2.540 339 V HA 0.581 4.701 4.120 0.000 0.000 0.302 339 V C 0.278 176.108 176.094 -0.439 0.000 1.035 339 V CA -0.924 61.115 62.300 -0.435 0.000 0.873 339 V CB 1.461 32.905 31.823 -0.631 0.000 0.992 339 V HN 0.124 nan 8.190 nan 0.000 0.428 340 A N 4.651 127.243 122.820 -0.381 0.000 2.272 340 A HA 0.753 5.073 4.320 0.000 0.000 0.275 340 A C 0.071 177.492 177.584 -0.272 0.000 1.096 340 A CA -0.573 51.268 52.037 -0.326 0.000 0.822 340 A CB 0.245 18.990 19.000 -0.426 0.000 1.088 340 A HN 0.839 nan 8.150 nan 0.000 0.495 341 L N -0.014 121.126 121.223 -0.138 0.000 2.516 341 L HA 0.046 4.386 4.340 0.000 0.000 0.288 341 L C 0.776 177.605 176.870 -0.069 0.000 1.246 341 L CA 0.862 55.654 54.840 -0.081 0.000 0.844 341 L CB -0.295 41.652 42.059 -0.187 0.000 1.106 341 L HN 1.051 nan 8.230 nan 0.000 0.509 342 H N -0.008 119.107 119.070 0.076 0.000 3.211 342 H HA -0.195 4.361 4.556 0.000 0.000 0.240 342 H C 1.042 176.369 175.328 -0.003 0.000 1.148 342 H CA 0.780 56.849 56.048 0.035 0.000 1.160 342 H CB -1.459 28.296 29.762 -0.012 0.000 1.232 342 H HN 0.852 nan 8.280 nan 0.000 0.321 343 S N -1.198 114.507 115.700 0.009 0.000 3.749 343 S HA -0.236 4.234 4.470 0.000 0.000 0.348 343 S C 0.079 174.540 174.600 -0.232 0.000 1.045 343 S CA 0.764 58.824 58.200 -0.234 0.000 1.051 343 S CB -2.130 61.078 63.200 0.012 0.000 0.898 343 S HN 0.539 nan 8.310 nan 0.000 0.472 344 I N 2.691 123.137 120.570 -0.206 0.000 2.337 344 I HA 0.332 4.502 4.170 0.000 0.000 0.291 344 I C -1.742 174.232 176.117 -0.240 0.000 1.046 344 I CA -2.374 58.842 61.300 -0.139 0.000 1.324 344 I CB 0.754 38.732 38.000 -0.038 0.000 1.409 344 I HN 0.186 nan 8.210 nan 0.000 0.494 345 P HA 0.148 nan 4.420 nan 0.000 0.271 345 P C -0.890 176.307 177.300 -0.171 0.000 1.216 345 P CA -0.256 62.524 63.100 -0.533 0.000 0.771 345 P CB 0.710 31.896 31.700 -0.856 0.000 0.864 346 K N 4.183 124.506 120.400 -0.128 0.000 2.098 346 K HA 0.269 4.589 4.320 0.000 0.000 0.244 346 K C -1.654 174.966 176.600 0.034 0.000 1.014 346 K CA -1.817 54.481 56.287 0.019 0.000 0.917 346 K CB -0.279 32.234 32.500 0.023 0.000 1.072 346 K HN 0.138 nan 8.250 nan 0.000 0.477 347 P HA -0.185 nan 4.420 nan 0.000 0.217 347 P C 0.693 178.050 177.300 0.094 0.000 1.148 347 P CA 1.481 64.682 63.100 0.168 0.000 0.834 347 P CB 0.134 31.905 31.700 0.118 0.000 0.783 348 T N -1.578 113.007 114.554 0.052 0.000 2.951 348 T HA -0.108 4.242 4.350 0.000 0.000 0.268 348 T C 1.377 176.116 174.700 0.065 0.000 1.073 348 T CA 0.623 62.748 62.100 0.042 0.000 1.134 348 T CB -0.919 67.959 68.868 0.017 0.000 0.884 348 T HN 0.068 nan 8.240 nan 0.000 0.479 349 F N 1.852 121.692 119.950 -0.184 0.000 2.126 349 F HA -0.191 4.336 4.527 0.000 0.000 0.299 349 F C 2.189 177.850 175.800 -0.232 0.000 1.096 349 F CA 1.564 59.419 58.000 -0.242 0.000 1.255 349 F CB -0.376 38.373 39.000 -0.419 0.000 0.997 349 F HN 0.310 nan 8.300 nan 0.000 0.479 350 H N -0.586 118.478 119.070 -0.010 0.000 2.389 350 H HA -0.022 4.534 4.556 0.000 0.000 0.299 350 H C 2.402 177.265 175.328 -0.774 0.000 1.081 350 H CA 0.955 56.738 56.048 -0.441 0.000 1.345 350 H CB -0.447 29.055 29.762 -0.434 0.000 1.393 350 H HN 0.367 nan 8.280 nan 0.000 0.520 351 A N 0.856 123.505 122.820 -0.286 0.000 1.892 351 A HA -0.222 4.098 4.320 0.000 0.000 0.218 351 A C 1.959 179.515 177.584 -0.046 0.000 1.188 351 A CA 1.688 53.652 52.037 -0.122 0.000 0.631 351 A CB -1.021 17.939 19.000 -0.067 0.000 0.822 351 A HN 0.342 nan 8.150 nan 0.000 0.447 352 F N 0.785 120.648 119.950 -0.145 0.000 2.134 352 F HA -0.185 4.342 4.527 0.000 0.000 0.299 352 F C 3.043 178.834 175.800 -0.017 0.000 1.097 352 F CA 2.070 60.038 58.000 -0.054 0.000 1.264 352 F CB -0.692 38.248 39.000 -0.101 0.000 1.001 352 F HN 0.406 nan 8.300 nan 0.000 0.479 353 T N -2.050 112.478 114.554 -0.043 0.000 2.867 353 T HA -0.211 4.139 4.350 0.000 0.000 0.268 353 T C 1.984 176.838 174.700 0.256 0.000 1.057 353 T CA 1.175 63.287 62.100 0.020 0.000 1.136 353 T CB -1.195 67.636 68.868 -0.061 0.000 0.874 353 T HN 0.324 nan 8.240 nan 0.000 0.466 354 F N -0.013 119.987 119.950 0.083 0.000 2.171 354 F HA 0.088 4.615 4.527 0.000 0.000 0.300 354 F C 2.114 177.842 175.800 -0.121 0.000 1.090 354 F CA 0.475 58.476 58.000 0.002 0.000 1.293 354 F CB -0.399 38.601 39.000 0.000 0.000 1.013 354 F HN 0.112 nan 8.300 nan 0.000 0.486 355 F N 0.514 120.411 119.950 -0.088 0.000 2.325 355 F HA -0.146 4.381 4.527 0.000 0.000 0.299 355 F C 2.049 177.736 175.800 -0.187 0.000 1.090 355 F CA 0.988 58.724 58.000 -0.439 0.000 1.392 355 F CB -0.705 37.610 39.000 -1.143 0.000 1.053 355 F HN -0.107 nan 8.300 nan 0.000 0.521 356 N N 0.373 119.252 118.700 0.298 0.000 2.381 356 N HA -0.102 4.638 4.740 0.000 0.000 0.182 356 N C 1.661 177.331 175.510 0.267 0.000 1.025 356 N CA 0.973 54.305 53.050 0.470 0.000 0.888 356 N CB -0.149 38.562 38.487 0.373 0.000 0.965 356 N HN 0.171 nan 8.380 nan 0.000 0.438 357 A N -0.204 122.715 122.820 0.166 0.000 2.167 357 A HA 0.147 4.467 4.320 0.000 0.000 0.214 357 A C 0.730 178.351 177.584 0.062 0.000 1.151 357 A CA 0.008 52.103 52.037 0.096 0.000 0.735 357 A CB -0.234 18.797 19.000 0.051 0.000 0.802 357 A HN 0.236 nan 8.150 nan 0.000 0.467 358 L N -0.133 121.127 121.223 0.061 0.000 2.439 358 L HA 0.391 4.731 4.340 0.000 0.000 0.269 358 L C 1.198 178.152 176.870 0.140 0.000 1.179 358 L CA -0.387 54.468 54.840 0.025 0.000 0.828 358 L CB 0.731 42.751 42.059 -0.065 0.000 1.106 358 L HN 0.316 nan 8.230 nan 0.000 0.467 359 G N 0.192 109.056 108.800 0.107 0.000 2.557 359 G HA2 0.119 4.079 3.960 0.000 0.000 0.292 359 G HA3 0.119 4.079 3.960 0.000 0.000 0.292 359 G C 0.167 175.190 174.900 0.204 0.000 1.237 359 G CA -0.371 44.812 45.100 0.138 0.000 0.978 359 G HN 0.667 nan 8.290 nan 0.000 0.498 360 D N -0.946 119.560 120.400 0.177 0.000 2.183 360 D HA -0.040 4.600 4.640 0.000 0.000 0.203 360 D C 0.965 177.374 176.300 0.183 0.000 0.969 360 D CA 0.775 54.889 54.000 0.191 0.000 0.842 360 D CB 0.287 41.164 40.800 0.128 0.000 0.957 360 D HN 0.568 nan 8.370 nan 0.000 0.484 361 E N 1.129 121.410 120.200 0.134 0.000 2.152 361 E HA 0.147 4.497 4.350 0.000 0.000 0.285 361 E C -0.577 176.083 176.600 0.101 0.000 1.043 361 E CA -0.323 56.141 56.400 0.105 0.000 0.839 361 E CB 0.529 30.273 29.700 0.074 0.000 1.069 361 E HN 0.034 nan 8.360 nan 0.000 0.399 362 L N 6.903 128.193 121.223 0.111 0.000 2.281 362 L HA 0.155 4.495 4.340 0.000 0.000 0.285 362 L C 0.586 177.490 176.870 0.058 0.000 1.074 362 L CA -0.118 54.774 54.840 0.087 0.000 0.817 362 L CB 0.716 42.846 42.059 0.119 0.000 1.168 362 L HN 0.863 nan 8.230 nan 0.000 0.434 363 L N 5.884 127.136 121.223 0.048 0.000 2.316 363 L HA 0.147 4.487 4.340 0.000 0.000 0.207 363 L C -0.482 176.469 176.870 0.134 0.000 1.070 363 L CA 0.176 55.056 54.840 0.068 0.000 0.820 363 L CB 0.228 42.315 42.059 0.045 0.000 0.992 363 L HN 0.494 nan 8.230 nan 0.000 0.466 364 Y N -0.112 120.162 120.300 -0.044 0.000 2.474 364 Y HA 0.513 5.063 4.550 0.000 0.000 0.326 364 Y C -1.038 174.829 175.900 -0.054 0.000 1.160 364 Y CA -1.118 56.952 58.100 -0.049 0.000 1.056 364 Y CB 1.301 39.721 38.460 -0.068 0.000 1.330 364 Y HN -0.146 nan 8.280 nan 0.000 0.447 365 R N 4.069 124.126 120.500 -0.738 0.000 2.651 365 R HA 0.532 4.872 4.340 0.000 0.000 0.278 365 R C -1.882 174.005 176.300 -0.688 0.000 1.010 365 R CA -0.458 55.344 56.100 -0.497 0.000 0.896 365 R CB 1.549 31.727 30.300 -0.204 0.000 1.211 365 R HN 0.881 nan 8.270 nan 0.000 0.456 366 D N 1.342 121.533 120.400 -0.348 0.000 2.895 366 D HA 0.183 4.823 4.640 0.000 0.000 0.320 366 D C 0.692 176.970 176.300 -0.036 0.000 1.249 366 D CA -0.377 53.511 54.000 -0.186 0.000 0.997 366 D CB 0.080 40.807 40.800 -0.120 0.000 1.430 366 D HN 0.449 nan 8.370 nan 0.000 0.558 367 G N -1.089 107.704 108.800 -0.011 0.000 2.535 367 G HA2 -0.119 3.841 3.960 0.000 0.000 0.218 367 G HA3 -0.119 3.841 3.960 0.000 0.000 0.218 367 G C 0.696 175.611 174.900 0.026 0.000 1.122 367 G CA 0.647 45.789 45.100 0.070 0.000 0.769 367 G HN 0.537 nan 8.290 nan 0.000 0.549 368 E N -1.137 118.859 120.200 -0.340 0.000 2.641 368 E HA 0.298 4.648 4.350 0.000 0.000 0.224 368 E C 0.429 176.092 176.600 -1.563 0.000 0.951 368 E CA -0.192 55.600 56.400 -1.013 0.000 1.102 368 E CB 0.547 29.916 29.700 -0.552 0.000 1.091 368 E HN 0.552 nan 8.360 nan 0.000 0.507 369 M N -0.614 118.371 119.600 -1.025 0.000 2.643 369 M HA 0.496 4.976 4.480 0.000 0.000 0.276 369 M C -2.193 174.016 176.300 -0.151 0.000 1.200 369 M CA -0.871 54.022 55.300 -0.679 0.000 0.863 369 M CB 2.233 34.636 32.600 -0.329 0.000 1.711 369 M HN -0.018 nan 8.290 nan 0.000 0.492 370 I N 2.486 123.027 120.570 -0.048 0.000 2.569 370 I HA 0.735 4.905 4.170 0.000 0.000 0.290 370 I C -1.851 174.187 176.117 -0.132 0.000 1.088 370 I CA -0.840 60.416 61.300 -0.074 0.000 1.047 370 I CB 2.158 40.065 38.000 -0.155 0.000 1.237 370 I HN 0.661 nan 8.210 nan 0.000 0.421 371 V N 5.722 125.594 119.914 -0.071 0.000 2.531 371 V HA 0.636 4.756 4.120 0.000 0.000 0.301 371 V C -0.028 176.033 176.094 -0.054 0.000 1.034 371 V CA -0.367 61.898 62.300 -0.058 0.000 0.865 371 V CB 1.688 33.515 31.823 0.006 0.000 0.995 371 V HN 0.840 nan 8.190 nan 0.000 0.424 372 T N 1.877 116.389 114.554 -0.069 0.000 2.887 372 T HA 0.845 5.195 4.350 0.000 0.000 0.292 372 T C -0.703 173.995 174.700 -0.002 0.000 1.087 372 T CA -1.015 61.070 62.100 -0.026 0.000 1.009 372 T CB 2.521 71.372 68.868 -0.028 0.000 1.203 372 T HN 0.645 nan 8.240 nan 0.000 0.518 373 R N 0.159 120.676 120.500 0.028 0.000 2.534 373 R HA 0.687 5.027 4.340 0.000 0.000 0.301 373 R C -0.603 175.732 176.300 0.058 0.000 0.961 373 R CA -0.639 55.484 56.100 0.039 0.000 0.871 373 R CB 1.212 31.534 30.300 0.035 0.000 1.170 373 R HN 0.722 nan 8.270 nan 0.000 0.446 374 R N 2.193 122.730 120.500 0.062 0.000 2.553 374 R HA 0.327 4.667 4.340 0.000 0.000 0.263 374 R C 0.709 177.049 176.300 0.067 0.000 1.066 374 R CA -0.614 55.526 56.100 0.068 0.000 1.135 374 R CB 0.678 31.016 30.300 0.064 0.000 1.148 374 R HN 0.593 nan 8.270 nan 0.000 0.558 375 K N 0.823 121.261 120.400 0.063 0.000 2.097 375 K HA -0.155 4.165 4.320 0.000 0.000 0.206 375 K C 1.192 177.825 176.600 0.056 0.000 1.049 375 K CA 1.755 58.075 56.287 0.056 0.000 0.933 375 K CB -0.025 32.505 32.500 0.050 0.000 0.717 375 K HN 0.650 nan 8.250 nan 0.000 0.442 376 D N -0.679 119.753 120.400 0.054 0.000 2.392 376 D HA -0.082 4.558 4.640 0.000 0.000 0.228 376 D C 1.088 177.439 176.300 0.086 0.000 1.003 376 D CA 1.224 55.256 54.000 0.053 0.000 0.917 376 D CB 0.064 40.883 40.800 0.031 0.000 0.890 376 D HN 0.355 nan 8.370 nan 0.000 0.532 377 G N -0.150 108.713 108.800 0.106 0.000 2.194 377 G HA2 -0.278 3.682 3.960 0.000 0.000 0.236 377 G HA3 -0.278 3.682 3.960 0.000 0.000 0.236 377 G C 0.405 175.440 174.900 0.224 0.000 0.987 377 G CA 0.436 45.635 45.100 0.165 0.000 0.635 377 G HN 0.855 nan 8.290 nan 0.000 0.520 378 S N 0.550 116.353 115.700 0.172 0.000 2.593 378 S HA 0.686 5.156 4.470 0.000 0.000 0.269 378 S C 0.295 174.963 174.600 0.113 0.000 1.334 378 S CA -0.399 57.907 58.200 0.176 0.000 1.015 378 S CB 1.446 64.703 63.200 0.095 0.000 0.912 378 S HN 0.509 nan 8.310 nan 0.000 0.541 379 I N 1.312 121.938 120.570 0.093 0.000 2.412 379 I HA 0.628 4.798 4.170 0.000 0.000 0.296 379 I C 0.231 176.343 176.117 -0.009 0.000 0.987 379 I CA -0.896 60.419 61.300 0.026 0.000 1.180 379 I CB 0.880 38.880 38.000 -0.000 0.000 1.340 379 I HN 0.947 nan 8.210 nan 0.000 0.455 380 A N 5.017 127.814 122.820 -0.038 0.000 2.374 380 A HA 0.932 5.252 4.320 0.000 0.000 0.305 380 A C -0.759 176.747 177.584 -0.130 0.000 1.053 380 A CA -0.483 51.505 52.037 -0.082 0.000 0.726 380 A CB 1.591 20.550 19.000 -0.068 0.000 1.229 380 A HN 0.858 nan 8.150 nan 0.000 0.431 381 A N 1.617 124.338 122.820 -0.165 0.000 2.449 381 A HA 0.758 5.078 4.320 0.000 0.000 0.302 381 A C -1.122 176.323 177.584 -0.231 0.000 1.048 381 A CA -0.487 51.435 52.037 -0.191 0.000 0.708 381 A CB 1.544 20.455 19.000 -0.148 0.000 1.274 381 A HN 1.251 nan 8.150 nan 0.000 0.410 382 V N 2.966 122.728 119.914 -0.253 0.000 2.459 382 V HA 0.573 4.693 4.120 0.000 0.000 0.295 382 V C -0.439 175.649 176.094 -0.009 0.000 1.029 382 V CA -0.418 61.781 62.300 -0.167 0.000 0.874 382 V CB 1.337 32.913 31.823 -0.413 0.000 0.985 382 V HN 0.748 nan 8.190 nan 0.000 0.438 383 L N 4.106 125.348 121.223 0.031 0.000 2.370 383 L HA 0.718 5.058 4.340 0.000 0.000 0.266 383 L C -1.165 175.798 176.870 0.154 0.000 1.002 383 L CA -0.446 54.316 54.840 -0.131 0.000 0.818 383 L CB 2.325 44.283 42.059 -0.169 0.000 1.325 383 L HN 0.957 nan 8.230 nan 0.000 0.418 384 W N 0.744 122.067 121.300 0.038 0.000 3.127 384 W HA 0.479 5.139 4.660 0.000 0.000 0.330 384 W C -1.020 175.526 176.519 0.046 0.000 1.187 384 W CA -0.795 56.591 57.345 0.068 0.000 1.198 384 W CB 1.202 30.720 29.460 0.096 0.000 1.408 384 W HN 0.475 nan 8.180 nan 0.000 0.529 385 N N 3.223 122.030 118.700 0.178 0.000 2.851 385 N HA 0.241 4.981 4.740 0.000 0.000 0.248 385 N C -1.483 174.129 175.510 0.170 0.000 1.221 385 N CA -0.576 52.532 53.050 0.098 0.000 0.847 385 N CB 0.581 39.102 38.487 0.056 0.000 1.150 385 N HN 0.626 nan 8.380 nan 0.000 0.507 386 L N 3.837 125.199 121.223 0.232 0.000 2.410 386 L HA 0.294 4.634 4.340 0.000 0.000 0.273 386 L C -1.081 175.865 176.870 0.127 0.000 1.144 386 L CA 0.258 55.219 54.840 0.202 0.000 0.863 386 L CB 0.955 43.140 42.059 0.209 0.000 1.140 386 L HN 0.128 nan 8.230 nan 0.000 0.463 387 V N 7.525 127.508 119.914 0.115 0.000 2.447 387 V HA 0.240 4.360 4.120 0.000 0.000 0.292 387 V C 0.687 176.834 176.094 0.088 0.000 1.021 387 V CA -0.271 62.080 62.300 0.085 0.000 0.850 387 V CB 1.418 33.281 31.823 0.067 0.000 1.005 387 V HN 0.914 nan 8.190 nan 0.000 0.426 388 M N 1.062 120.712 119.600 0.084 0.000 2.541 388 M HA 0.193 4.673 4.480 0.000 0.000 0.252 388 M C 0.542 176.877 176.300 0.058 0.000 1.125 388 M CA 0.381 55.732 55.300 0.085 0.000 1.091 388 M CB 0.282 32.945 32.600 0.105 0.000 1.420 388 M HN 0.563 nan 8.290 nan 0.000 0.486 389 E N 2.249 122.476 120.200 0.046 0.000 2.383 389 E HA 0.153 4.503 4.350 0.000 0.000 0.264 389 E C -0.226 176.393 176.600 0.031 0.000 1.050 389 E CA 0.087 56.507 56.400 0.032 0.000 0.896 389 E CB 0.446 30.162 29.700 0.026 0.000 0.982 389 E HN 0.207 nan 8.360 nan 0.000 0.424 390 K N 0.674 121.087 120.400 0.022 0.000 2.319 390 K HA 0.390 4.710 4.320 0.000 0.000 0.265 390 K C 0.505 177.115 176.600 0.017 0.000 1.000 390 K CA 0.048 56.346 56.287 0.019 0.000 0.943 390 K CB 0.586 33.092 32.500 0.009 0.000 0.950 390 K HN 0.609 nan 8.250 nan 0.000 0.485 391 G N 0.283 109.092 108.800 0.017 0.000 2.730 391 G HA2 0.467 4.427 3.960 0.000 0.000 0.289 391 G HA3 0.467 4.427 3.960 0.000 0.000 0.289 391 G C -0.584 174.322 174.900 0.010 0.000 1.341 391 G CA -0.204 44.907 45.100 0.018 0.000 0.932 391 G HN 0.679 nan 8.290 nan 0.000 0.481 392 E N -1.602 118.603 120.200 0.009 0.000 2.262 392 E HA 0.009 4.359 4.350 0.000 0.000 0.290 392 E C 0.427 177.028 176.600 0.002 0.000 1.066 392 E CA 0.254 56.656 56.400 0.003 0.000 2.213 392 E CB -0.226 29.475 29.700 0.001 0.000 2.355 392 E HN 0.824 nan 8.360 nan 0.000 1.173 393 G N 1.756 110.558 108.800 0.003 0.000 4.465 393 G HA2 0.539 4.499 3.960 0.000 0.000 0.330 393 G HA3 0.539 4.499 3.960 0.000 0.000 0.330 393 G C -0.349 174.554 174.900 0.005 0.000 1.475 393 G CA -0.146 44.955 45.100 0.002 0.000 0.955 393 G HN -0.002 nan 8.290 nan 0.000 0.516 394 L N 1.129 122.358 121.223 0.010 0.000 3.218 394 L HA 0.268 4.608 4.340 0.000 0.000 0.279 394 L C 1.236 178.115 176.870 0.015 0.000 1.287 394 L CA -0.263 54.585 54.840 0.014 0.000 1.024 394 L CB 0.887 42.959 42.059 0.021 0.000 1.409 394 L HN 0.348 nan 8.230 nan 0.000 0.580 395 T N 0.881 115.441 114.554 0.009 0.000 2.855 395 T HA 0.206 4.556 4.350 0.000 0.000 0.314 395 T C -0.071 174.630 174.700 0.001 0.000 1.077 395 T CA 0.194 62.299 62.100 0.008 0.000 1.095 395 T CB 0.676 69.546 68.868 0.004 0.000 0.987 395 T HN 0.163 nan 8.240 nan 0.000 0.546 396 K N 2.391 122.789 120.400 -0.004 0.000 2.535 396 K HA 0.421 4.741 4.320 0.000 0.000 0.250 396 K C -1.557 175.028 176.600 -0.026 0.000 0.948 396 K CA -0.443 55.834 56.287 -0.016 0.000 0.796 396 K CB 1.562 34.050 32.500 -0.020 0.000 1.216 396 K HN 0.587 nan 8.250 nan 0.000 0.432 397 E N 2.281 122.463 120.200 -0.030 0.000 2.151 397 E HA 0.454 4.804 4.350 0.000 0.000 0.275 397 E C -1.112 175.460 176.600 -0.048 0.000 0.936 397 E CA -0.943 55.437 56.400 -0.034 0.000 0.777 397 E CB 2.010 31.695 29.700 -0.026 0.000 1.108 397 E HN 0.281 nan 8.360 nan 0.000 0.401 398 V N 3.838 123.718 119.914 -0.058 0.000 2.448 398 V HA 0.229 4.349 4.120 0.000 0.000 0.295 398 V C -0.527 175.525 176.094 -0.070 0.000 1.025 398 V CA -0.726 61.528 62.300 -0.076 0.000 0.859 398 V CB 1.691 33.453 31.823 -0.103 0.000 0.988 398 V HN 0.660 nan 8.190 nan 0.000 0.431 399 Q N 3.949 123.707 119.800 -0.070 0.000 2.400 399 Q HA 0.521 4.861 4.340 0.000 0.000 0.255 399 Q C -1.334 174.610 176.000 -0.093 0.000 1.008 399 Q CA -0.664 55.104 55.803 -0.058 0.000 0.841 399 Q CB 2.064 30.782 28.738 -0.033 0.000 1.220 399 Q HN 0.485 nan 8.270 nan 0.000 0.474 400 L N 3.792 124.952 121.223 -0.105 0.000 2.305 400 L HA 0.439 4.779 4.340 0.000 0.000 0.284 400 L C -1.171 175.592 176.870 -0.178 0.000 1.013 400 L CA -0.633 54.110 54.840 -0.162 0.000 0.819 400 L CB 1.901 43.862 42.059 -0.162 0.000 1.227 400 L HN 0.316 nan 8.230 nan 0.000 0.417 401 V N 6.952 126.724 119.914 -0.238 0.000 2.328 401 V HA 0.465 4.585 4.120 0.000 0.000 0.278 401 V C 0.018 175.942 176.094 -0.284 0.000 1.021 401 V CA -0.350 61.748 62.300 -0.336 0.000 0.838 401 V CB 1.273 32.858 31.823 -0.396 0.000 0.999 401 V HN 0.555 nan 8.190 nan 0.000 0.447 402 I N 8.171 128.586 120.570 -0.258 0.000 2.389 402 I HA 0.410 4.580 4.170 0.000 0.000 0.288 402 I C -2.210 173.793 176.117 -0.190 0.000 0.999 402 I CA -2.043 59.139 61.300 -0.197 0.000 1.129 402 I CB 2.738 40.645 38.000 -0.154 0.000 1.288 402 I HN 0.433 nan 8.210 nan 0.000 0.444 403 P HA 0.126 nan 4.420 nan 0.000 0.275 403 P C -0.932 176.241 177.300 -0.212 0.000 1.227 403 P CA -0.155 62.842 63.100 -0.172 0.000 0.781 403 P CB 2.135 33.751 31.700 -0.140 0.000 0.906 404 V N 2.295 122.044 119.914 -0.275 0.000 2.655 404 V HA 0.118 4.238 4.120 0.000 0.000 0.301 404 V C 1.508 177.255 176.094 -0.578 0.000 1.082 404 V CA 0.017 62.017 62.300 -0.499 0.000 0.899 404 V CB 1.765 33.319 31.823 -0.448 0.000 1.014 404 V HN 0.737 nan 8.190 nan 0.000 0.429 405 S N 6.504 121.770 115.700 -0.723 0.000 2.419 405 S HA 0.001 4.471 4.470 0.000 0.000 0.233 405 S C 0.552 174.980 174.600 -0.287 0.000 1.016 405 S CA 1.362 59.314 58.200 -0.413 0.000 0.974 405 S CB -0.348 62.724 63.200 -0.214 0.000 0.786 405 S HN 0.804 nan 8.310 nan 0.000 0.492 406 F N 0.828 120.778 119.950 -0.001 0.000 2.432 406 F HA 0.695 5.222 4.527 0.000 0.000 0.329 406 F C 1.443 177.246 175.800 0.004 0.000 1.076 406 F CA -0.660 57.342 58.000 0.004 0.000 1.018 406 F CB 0.972 39.977 39.000 0.008 0.000 1.201 406 F HN -0.001 nan 8.300 nan 0.000 0.489 407 S N 0.424 116.254 115.700 0.217 0.000 2.446 407 S HA 0.402 4.872 4.470 0.000 0.000 0.225 407 S C 0.636 175.318 174.600 0.136 0.000 1.016 407 S CA 0.298 58.574 58.200 0.126 0.000 0.943 407 S CB -0.279 62.971 63.200 0.082 0.000 0.786 407 S HN 0.916 nan 8.310 nan 0.000 0.508 408 A N 0.994 123.912 122.820 0.164 0.000 2.343 408 A HA 0.780 5.100 4.320 0.000 0.000 0.316 408 A C -0.857 176.819 177.584 0.152 0.000 1.104 408 A CA -0.632 51.479 52.037 0.122 0.000 0.768 408 A CB 1.832 20.875 19.000 0.071 0.000 1.213 408 A HN 0.249 nan 8.150 nan 0.000 0.456 409 V N 2.184 122.185 119.914 0.145 0.000 2.823 409 V HA 0.613 4.733 4.120 0.000 0.000 0.312 409 V C -1.364 174.821 176.094 0.151 0.000 1.072 409 V CA -0.500 61.898 62.300 0.162 0.000 0.937 409 V CB 1.949 33.896 31.823 0.207 0.000 1.013 409 V HN 0.842 nan 8.190 nan 0.000 0.430 410 F N 5.916 125.856 119.950 -0.018 0.000 2.426 410 F HA 0.725 5.252 4.527 0.000 0.000 0.348 410 F C -0.516 175.270 175.800 -0.023 0.000 1.124 410 F CA -0.610 57.371 58.000 -0.031 0.000 1.008 410 F CB 1.079 40.047 39.000 -0.055 0.000 1.139 410 F HN 0.314 nan 8.300 nan 0.000 0.452 411 I N 6.288 126.475 120.570 -0.638 0.000 2.404 411 I HA 0.373 4.543 4.170 0.000 0.000 0.293 411 I C -0.746 174.893 176.117 -0.796 0.000 0.992 411 I CA -0.673 60.328 61.300 -0.498 0.000 1.149 411 I CB 1.772 39.606 38.000 -0.278 0.000 1.315 411 I HN 0.509 nan 8.210 nan 0.000 0.446 412 K N 7.046 127.133 120.400 -0.522 0.000 2.413 412 K HA 0.531 4.851 4.320 0.000 0.000 0.257 412 K C -1.052 175.393 176.600 -0.258 0.000 0.946 412 K CA -0.754 55.290 56.287 -0.405 0.000 0.823 412 K CB 1.581 33.959 32.500 -0.204 0.000 1.109 412 K HN 0.604 nan 8.250 nan 0.000 0.427 413 R N 3.588 123.949 120.500 -0.231 0.000 2.494 413 R HA 0.264 4.604 4.340 0.000 0.000 0.305 413 R C -1.074 175.113 176.300 -0.187 0.000 0.959 413 R CA -0.442 55.536 56.100 -0.205 0.000 0.864 413 R CB 1.447 31.651 30.300 -0.160 0.000 1.159 413 R HN 0.642 nan 8.270 nan 0.000 0.446 414 Q N 4.951 124.601 119.800 -0.250 0.000 2.337 414 Q HA 0.479 4.819 4.340 0.000 0.000 0.266 414 Q C -0.584 175.355 176.000 -0.102 0.000 1.023 414 Q CA -0.908 54.790 55.803 -0.175 0.000 0.829 414 Q CB 2.552 31.163 28.738 -0.212 0.000 1.306 414 Q HN 0.534 nan 8.270 nan 0.000 0.449 415 I N -0.599 120.046 120.570 0.126 0.000 2.545 415 I HA 0.661 4.831 4.170 0.000 0.000 0.292 415 I C -0.642 175.682 176.117 0.346 0.000 1.040 415 I CA -1.215 60.231 61.300 0.243 0.000 1.068 415 I CB 1.521 39.657 38.000 0.226 0.000 1.251 415 I HN 0.275 nan 8.210 nan 0.000 0.424 416 V N 5.957 126.102 119.914 0.384 0.000 2.604 416 V HA 0.577 4.697 4.120 0.000 0.000 0.305 416 V C -0.085 176.165 176.094 0.260 0.000 1.043 416 V CA -0.339 62.142 62.300 0.302 0.000 0.888 416 V CB 1.851 33.823 31.823 0.249 0.000 0.995 416 V HN 1.130 nan 8.190 nan 0.000 0.429 417 N N 1.806 120.632 118.700 0.210 0.000 3.517 417 N HA 0.273 5.013 4.740 0.000 0.000 0.329 417 N C -0.104 175.462 175.510 0.093 0.000 1.569 417 N CA -0.742 52.394 53.050 0.144 0.000 0.852 417 N CB 1.181 39.743 38.487 0.126 0.000 1.955 417 N HN 0.312 nan 8.380 nan 0.000 0.555 418 E N -0.192 120.037 120.200 0.050 0.000 2.418 418 E HA -0.161 4.189 4.350 0.000 0.000 0.197 418 E C 1.154 177.735 176.600 -0.031 0.000 1.026 418 E CA 1.018 57.445 56.400 0.046 0.000 0.862 418 E CB 0.141 29.871 29.700 0.051 0.000 0.799 418 E HN 0.581 nan 8.360 nan 0.000 0.518 419 Q N -0.626 119.084 119.800 -0.152 0.000 2.387 419 Q HA 0.035 4.375 4.340 0.000 0.000 0.212 419 Q C -0.084 175.742 176.000 -0.291 0.000 0.925 419 Q CA 0.185 55.777 55.803 -0.351 0.000 0.901 419 Q CB 0.541 28.845 28.738 -0.724 0.000 1.020 419 Q HN 0.169 nan 8.270 nan 0.000 0.545 420 Y N -0.796 119.527 120.300 0.037 0.000 2.377 420 Y HA 0.478 5.028 4.550 0.000 0.000 0.339 420 Y C 0.789 176.744 175.900 0.090 0.000 1.011 420 Y CA -0.474 57.659 58.100 0.054 0.000 1.093 420 Y CB 2.227 40.712 38.460 0.042 0.000 1.201 420 Y HN 0.322 nan 8.280 nan 0.000 0.455 421 G N 2.529 111.488 108.800 0.265 0.000 2.176 421 G HA2 -0.354 3.606 3.960 0.000 0.000 0.252 421 G HA3 -0.354 3.606 3.960 0.000 0.000 0.252 421 G C -0.424 174.600 174.900 0.207 0.000 1.024 421 G CA 0.233 45.441 45.100 0.179 0.000 0.755 421 G HN 0.757 nan 8.290 nan 0.000 0.507 422 N N -0.473 118.335 118.700 0.179 0.000 2.623 422 N HA 0.631 5.371 4.740 0.000 0.000 0.256 422 N C 1.261 176.848 175.510 0.129 0.000 1.045 422 N CA 0.244 53.386 53.050 0.154 0.000 0.863 422 N CB 0.508 39.079 38.487 0.140 0.000 1.182 422 N HN 0.313 nan 8.380 nan 0.000 0.523 423 A N 2.636 125.530 122.820 0.123 0.000 2.067 423 A HA -0.086 4.234 4.320 0.000 0.000 0.217 423 A C 1.737 179.329 177.584 0.015 0.000 1.156 423 A CA 0.381 52.509 52.037 0.151 0.000 0.683 423 A CB -0.609 18.588 19.000 0.328 0.000 0.808 423 A HN 0.906 nan 8.150 nan 0.000 0.455 424 W N 0.994 121.977 121.300 -0.529 0.000 2.358 424 W HA -0.181 4.479 4.660 0.000 0.000 0.303 424 W C 2.292 178.761 176.519 -0.083 0.000 1.208 424 W CA 1.918 58.873 57.345 -0.650 0.000 1.274 424 W CB -0.226 28.834 29.460 -0.666 0.000 1.138 424 W HN 0.307 nan 8.180 nan 0.000 0.515 425 R N -0.210 120.252 120.500 -0.063 0.000 2.081 425 R HA -0.152 4.188 4.340 0.000 0.000 0.235 425 R C 1.929 178.152 176.300 -0.128 0.000 1.131 425 R CA 2.117 58.095 56.100 -0.205 0.000 0.960 425 R CB -0.599 29.660 30.300 -0.069 0.000 0.856 425 R HN 0.166 nan 8.270 nan 0.000 0.436 426 V N -0.313 119.600 119.914 -0.002 0.000 2.427 426 V HA -0.211 3.909 4.120 0.000 0.000 0.248 426 V C 1.834 177.975 176.094 0.077 0.000 1.051 426 V CA 1.624 63.946 62.300 0.037 0.000 1.048 426 V CB -0.682 31.196 31.823 0.091 0.000 0.666 426 V HN 0.552 nan 8.190 nan 0.000 0.456 427 W N 1.733 123.006 121.300 -0.045 0.000 2.342 427 W HA -0.195 4.465 4.660 0.000 0.000 0.297 427 W C 2.317 178.788 176.519 -0.079 0.000 1.213 427 W CA 1.847 59.203 57.345 0.018 0.000 1.251 427 W CB -0.130 29.449 29.460 0.199 0.000 1.136 427 W HN 0.127 nan 8.180 nan 0.000 0.526 428 K N -0.131 120.088 120.400 -0.303 0.000 2.057 428 K HA -0.201 4.119 4.320 0.000 0.000 0.206 428 K C 2.027 178.428 176.600 -0.332 0.000 1.050 428 K CA 1.840 57.828 56.287 -0.498 0.000 0.935 428 K CB -0.602 31.588 32.500 -0.517 0.000 0.715 428 K HN 0.298 nan 8.250 nan 0.000 0.439 429 Q N 0.463 120.134 119.800 -0.214 0.000 2.234 429 Q HA -0.095 4.245 4.340 0.000 0.000 0.206 429 Q C 1.849 177.768 176.000 -0.134 0.000 0.980 429 Q CA 1.358 57.072 55.803 -0.147 0.000 0.869 429 Q CB -0.177 28.506 28.738 -0.092 0.000 0.912 429 Q HN 0.349 nan 8.270 nan 0.000 0.436 430 M N -1.101 118.413 119.600 -0.142 0.000 2.619 430 M HA 0.059 4.539 4.480 0.000 0.000 0.251 430 M C 0.726 176.922 176.300 -0.173 0.000 1.106 430 M CA 0.817 56.048 55.300 -0.115 0.000 1.086 430 M CB 0.501 33.072 32.600 -0.048 0.000 1.465 430 M HN 0.400 nan 8.290 nan 0.000 0.506 431 G N 1.352 109.996 108.800 -0.261 0.000 2.141 431 G HA2 -0.245 3.715 3.960 0.000 0.000 0.195 431 G HA3 -0.245 3.715 3.960 0.000 0.000 0.195 431 G C -0.047 174.611 174.900 -0.402 0.000 1.012 431 G CA -0.320 44.621 45.100 -0.264 0.000 0.696 431 G HN 0.498 nan 8.290 nan 0.000 0.508 432 R N -1.394 118.655 120.500 -0.751 0.000 3.038 432 R HA -0.166 4.174 4.340 0.000 0.000 0.242 432 R C -2.051 173.928 176.300 -0.535 0.000 0.866 432 R CA 0.836 56.150 56.100 -1.310 0.000 0.601 432 R CB -1.530 28.045 30.300 -1.209 0.000 1.107 432 R HN 0.536 nan 8.270 nan 0.000 0.492 433 P HA -0.033 nan 4.420 nan 0.000 0.267 433 P C 0.151 177.545 177.300 0.157 0.000 1.205 433 P CA 0.180 63.282 63.100 0.004 0.000 0.765 433 P CB 0.700 32.441 31.700 0.069 0.000 0.828 434 R N 2.122 122.539 120.500 -0.138 0.000 2.090 434 R HA 0.037 4.377 4.340 0.000 0.000 0.228 434 R C 0.408 176.350 176.300 -0.598 0.000 1.110 434 R CA 1.289 57.107 56.100 -0.470 0.000 0.973 434 R CB -0.185 29.444 30.300 -1.117 0.000 0.869 434 R HN 0.494 nan 8.270 nan 0.000 0.440 435 F N 1.749 121.801 119.950 0.170 0.000 2.550 435 F HA 0.346 4.874 4.527 0.000 0.000 0.348 435 F C -2.075 173.790 175.800 0.108 0.000 1.219 435 F CA -2.456 55.621 58.000 0.128 0.000 1.203 435 F CB 0.742 39.797 39.000 0.092 0.000 1.436 435 F HN -0.161 nan 8.300 nan 0.000 0.541 436 P HA 0.146 nan 4.420 nan 0.000 0.272 436 P C 0.181 177.517 177.300 0.060 0.000 1.223 436 P CA -0.214 62.954 63.100 0.114 0.000 0.784 436 P CB 1.167 32.927 31.700 0.100 0.000 0.923 437 S N 1.896 117.625 115.700 0.050 0.000 2.587 437 S HA 0.096 4.566 4.470 0.000 0.000 0.260 437 S C 1.351 175.937 174.600 -0.024 0.000 1.353 437 S CA -0.317 57.899 58.200 0.027 0.000 0.995 437 S CB 0.523 63.743 63.200 0.032 0.000 0.912 437 S HN 0.374 nan 8.310 nan 0.000 0.568 438 R N 0.660 121.150 120.500 -0.017 0.000 2.091 438 R HA -0.136 4.204 4.340 0.000 0.000 0.238 438 R C 2.735 179.023 176.300 -0.020 0.000 1.136 438 R CA 2.074 58.155 56.100 -0.031 0.000 0.959 438 R CB -0.516 29.786 30.300 0.003 0.000 0.856 438 R HN 0.739 nan 8.270 nan 0.000 0.437 439 Q N 0.058 119.859 119.800 0.001 0.000 2.030 439 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 439 Q C 2.298 178.306 176.000 0.014 0.000 0.986 439 Q CA 1.754 57.563 55.803 0.011 0.000 0.843 439 Q CB -0.213 28.536 28.738 0.018 0.000 0.904 439 Q HN 0.397 nan 8.270 nan 0.000 0.420 440 A N 0.242 123.071 122.820 0.016 0.000 1.883 440 A HA -0.168 4.152 4.320 0.000 0.000 0.217 440 A C 2.334 179.935 177.584 0.028 0.000 1.186 440 A CA 1.526 53.584 52.037 0.035 0.000 0.624 440 A CB -0.856 18.175 19.000 0.053 0.000 0.822 440 A HN 0.238 nan 8.150 nan 0.000 0.444 441 V N 0.122 120.015 119.914 -0.035 0.000 2.332 441 V HA -0.306 3.814 4.120 0.000 0.000 0.248 441 V C 2.420 178.505 176.094 -0.015 0.000 1.055 441 V CA 2.434 64.685 62.300 -0.082 0.000 1.038 441 V CB -0.885 30.757 31.823 -0.303 0.000 0.651 441 V HN 0.672 nan 8.190 nan 0.000 0.450 442 E N -0.298 119.901 120.200 -0.001 0.000 2.051 442 E HA -0.201 4.149 4.350 0.000 0.000 0.192 442 E C 2.288 178.914 176.600 0.044 0.000 0.991 442 E CA 1.869 58.283 56.400 0.024 0.000 0.799 442 E CB -0.358 29.357 29.700 0.025 0.000 0.748 442 E HN 0.569 nan 8.360 nan 0.000 0.449 443 T N 1.451 116.035 114.554 0.049 0.000 2.708 443 T HA -0.135 4.215 4.350 0.000 0.000 0.266 443 T C 1.921 176.675 174.700 0.089 0.000 1.037 443 T CA 0.897 63.036 62.100 0.066 0.000 1.146 443 T CB -0.221 68.685 68.868 0.063 0.000 0.865 443 T HN 0.081 nan 8.240 nan 0.000 0.435 444 L N 0.346 121.631 121.223 0.104 0.000 2.083 444 L HA -0.072 4.268 4.340 0.000 0.000 0.209 444 L C 2.851 179.799 176.870 0.130 0.000 1.083 444 L CA 1.262 56.190 54.840 0.147 0.000 0.752 444 L CB -0.452 41.720 42.059 0.188 0.000 0.899 444 L HN 0.158 nan 8.230 nan 0.000 0.433 445 R N -0.092 120.462 120.500 0.090 0.000 2.081 445 R HA -0.212 4.128 4.340 0.000 0.000 0.235 445 R C 2.356 178.709 176.300 0.088 0.000 1.131 445 R CA 1.578 57.723 56.100 0.076 0.000 0.960 445 R CB -0.120 30.211 30.300 0.052 0.000 0.856 445 R HN 0.361 nan 8.270 nan 0.000 0.436 446 Q N -0.300 119.550 119.800 0.084 0.000 2.050 446 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 446 Q C 1.915 177.978 176.000 0.104 0.000 0.980 446 Q CA 1.684 57.538 55.803 0.085 0.000 0.840 446 Q CB 0.135 28.918 28.738 0.075 0.000 0.898 446 Q HN 0.231 nan 8.270 nan 0.000 0.424 447 V N 0.285 120.269 119.914 0.118 0.000 2.970 447 V HA -0.111 4.009 4.120 0.000 0.000 0.260 447 V C 1.768 177.956 176.094 0.158 0.000 1.100 447 V CA 1.316 63.699 62.300 0.138 0.000 1.122 447 V CB -0.193 31.709 31.823 0.131 0.000 0.721 447 V HN 0.429 nan 8.190 nan 0.000 0.483 448 A N -1.269 121.648 122.820 0.161 0.000 2.238 448 A HA 0.058 4.378 4.320 0.000 0.000 0.208 448 A C 1.084 178.788 177.584 0.199 0.000 1.177 448 A CA 0.190 52.349 52.037 0.204 0.000 0.804 448 A CB -0.151 18.970 19.000 0.201 0.000 0.823 448 A HN 0.482 nan 8.150 nan 0.000 0.482 449 Q N 0.754 120.630 119.800 0.126 0.000 2.313 449 Q HA 0.280 4.620 4.340 0.000 0.000 0.266 449 Q C -2.524 173.465 176.000 -0.019 0.000 0.989 449 Q CA -2.228 53.607 55.803 0.054 0.000 0.890 449 Q CB -0.030 28.755 28.738 0.078 0.000 1.200 449 Q HN 0.195 nan 8.270 nan 0.000 0.396 450 P HA -0.058 nan 4.420 nan 0.000 0.268 450 P C -0.326 177.012 177.300 0.062 0.000 1.208 450 P CA 0.116 63.201 63.100 -0.026 0.000 0.777 450 P CB 0.419 32.171 31.700 0.087 0.000 0.875 451 H N 2.133 121.179 119.070 -0.040 0.000 2.722 451 H HA 0.225 4.781 4.556 0.000 0.000 0.328 451 H C -0.923 174.313 175.328 -0.153 0.000 1.067 451 H CA -0.126 55.793 56.048 -0.215 0.000 1.447 451 H CB 0.563 29.931 29.762 -0.657 0.000 1.469 451 H HN 0.048 nan 8.280 nan 0.000 0.544 452 V N 7.684 127.287 119.914 -0.517 0.000 2.459 452 V HA 0.294 4.414 4.120 0.000 0.000 0.295 452 V C 0.169 176.012 176.094 -0.417 0.000 1.029 452 V CA -0.552 61.548 62.300 -0.334 0.000 0.874 452 V CB 1.432 33.139 31.823 -0.194 0.000 0.985 452 V HN 0.734 nan 8.190 nan 0.000 0.438 453 M N 4.211 123.664 119.600 -0.245 0.000 2.530 453 M HA 0.741 5.221 4.480 0.000 0.000 0.307 453 M C -0.530 175.660 176.300 -0.183 0.000 1.161 453 M CA -0.477 54.713 55.300 -0.182 0.000 0.903 453 M CB 2.579 35.115 32.600 -0.106 0.000 1.711 453 M HN 0.706 nan 8.290 nan 0.000 0.451 454 T N -0.848 113.607 114.554 -0.165 0.000 2.900 454 T HA 0.809 5.159 4.350 0.000 0.000 0.303 454 T C -1.203 173.379 174.700 -0.197 0.000 1.142 454 T CA -0.848 61.091 62.100 -0.268 0.000 1.007 454 T CB 2.651 71.460 68.868 -0.099 0.000 1.156 454 T HN 0.877 nan 8.240 nan 0.000 0.490 455 E N 0.844 120.863 120.200 -0.301 0.000 2.375 455 E HA 0.457 4.807 4.350 0.000 0.000 0.280 455 E C -1.310 175.238 176.600 -0.086 0.000 0.972 455 E CA -1.037 55.284 56.400 -0.132 0.000 0.782 455 E CB 1.844 31.482 29.700 -0.104 0.000 1.229 455 E HN 0.734 nan 8.360 nan 0.000 0.439 456 Q N 2.111 121.934 119.800 0.038 0.000 2.230 456 Q HA 0.482 4.822 4.340 0.000 0.000 0.253 456 Q C -1.020 175.000 176.000 0.033 0.000 0.919 456 Q CA -0.752 55.099 55.803 0.080 0.000 0.908 456 Q CB 1.469 30.273 28.738 0.110 0.000 1.245 456 Q HN 0.566 nan 8.270 nan 0.000 0.437 457 R N 1.966 122.490 120.500 0.041 0.000 2.668 457 R HA 0.394 4.734 4.340 0.000 0.000 0.272 457 R C -1.548 174.782 176.300 0.050 0.000 1.019 457 R CA -0.753 55.366 56.100 0.031 0.000 0.894 457 R CB 1.795 32.103 30.300 0.013 0.000 1.228 457 R HN 0.649 nan 8.270 nan 0.000 0.460 458 R N 1.558 122.083 120.500 0.042 0.000 2.368 458 R HA 0.501 4.841 4.340 0.000 0.000 0.302 458 R C -0.760 175.569 176.300 0.049 0.000 1.002 458 R CA -0.153 55.977 56.100 0.051 0.000 0.929 458 R CB 1.512 31.836 30.300 0.039 0.000 1.073 458 R HN 0.682 nan 8.270 nan 0.000 0.464 459 A N 2.547 125.401 122.820 0.057 0.000 2.425 459 A HA 0.257 4.577 4.320 0.000 0.000 0.249 459 A C -0.351 177.249 177.584 0.028 0.000 1.084 459 A CA -0.109 51.949 52.037 0.034 0.000 0.781 459 A CB 0.305 19.314 19.000 0.016 0.000 1.019 459 A HN 0.784 nan 8.150 nan 0.000 0.490 460 T N -0.358 114.215 114.554 0.032 0.000 2.786 460 T HA 0.541 4.891 4.350 0.000 0.000 0.283 460 T C -0.507 174.206 174.700 0.022 0.000 0.992 460 T CA -0.222 61.898 62.100 0.032 0.000 0.954 460 T CB 0.994 69.888 68.868 0.044 0.000 0.934 460 T HN 0.673 nan 8.240 nan 0.000 0.440 461 D N 1.970 122.373 120.400 0.005 0.000 2.775 461 D HA -0.089 4.551 4.640 0.000 0.000 0.235 461 D C 1.279 177.558 176.300 -0.034 0.000 1.120 461 D CA 1.823 55.819 54.000 -0.008 0.000 0.708 461 D CB -1.365 39.437 40.800 0.003 0.000 1.084 461 D HN 1.476 nan 8.370 nan 0.000 0.434 462 G N -1.572 107.199 108.800 -0.048 0.000 2.233 462 G HA2 -0.226 3.734 3.960 0.000 0.000 0.270 462 G HA3 -0.226 3.734 3.960 0.000 0.000 0.270 462 G C 0.314 175.144 174.900 -0.117 0.000 1.011 462 G CA 0.503 45.547 45.100 -0.093 0.000 0.762 462 G HN 0.735 nan 8.290 nan 0.000 0.511 463 V N 0.667 120.527 119.914 -0.089 0.000 2.789 463 V HA 0.750 4.870 4.120 0.000 0.000 0.311 463 V C 0.301 176.343 176.094 -0.087 0.000 1.073 463 V CA -0.559 61.664 62.300 -0.129 0.000 0.921 463 V CB 2.058 33.780 31.823 -0.168 0.000 1.009 463 V HN 0.664 nan 8.190 nan 0.000 0.426 464 I N 0.661 121.155 120.570 -0.126 0.000 2.530 464 I HA 0.692 4.862 4.170 0.000 0.000 0.297 464 I C -0.844 175.190 176.117 -0.138 0.000 1.011 464 I CA -0.572 60.697 61.300 -0.051 0.000 1.107 464 I CB 1.830 39.816 38.000 -0.024 0.000 1.285 464 I HN 0.556 nan 8.210 nan 0.000 0.436 465 H N 5.706 124.740 119.070 -0.059 0.000 2.519 465 H HA 0.629 5.185 4.556 0.000 0.000 0.316 465 H C -0.892 174.396 175.328 -0.066 0.000 1.065 465 H CA -0.398 55.610 56.048 -0.066 0.000 1.264 465 H CB 1.378 31.105 29.762 -0.058 0.000 1.413 465 H HN 0.463 nan 8.280 nan 0.000 0.465 466 L N 2.542 123.767 121.223 0.005 0.000 2.287 466 L HA 0.389 4.729 4.340 0.000 0.000 0.287 466 L C -0.210 176.645 176.870 -0.026 0.000 1.022 466 L CA -0.627 54.198 54.840 -0.024 0.000 0.814 466 L CB 1.474 43.495 42.059 -0.065 0.000 1.217 466 L HN 0.534 nan 8.230 nan 0.000 0.420 467 S N 4.932 120.620 115.700 -0.020 0.000 2.404 467 S HA 0.562 5.032 4.470 0.000 0.000 0.309 467 S C -0.172 174.407 174.600 -0.035 0.000 1.076 467 S CA -0.372 57.812 58.200 -0.027 0.000 1.095 467 S CB 0.321 63.509 63.200 -0.020 0.000 0.972 467 S HN 0.347 nan 8.310 nan 0.000 0.484 468 I N 3.193 123.736 120.570 -0.045 0.000 2.406 468 I HA 0.385 4.555 4.170 0.000 0.000 0.290 468 I C -0.625 175.470 176.117 -0.036 0.000 0.999 468 I CA -0.854 60.419 61.300 -0.046 0.000 1.124 468 I CB 1.739 39.699 38.000 -0.066 0.000 1.289 468 I HN 0.226 nan 8.210 nan 0.000 0.441 469 V N 7.562 127.463 119.914 -0.020 0.000 2.370 469 V HA 0.403 4.523 4.120 0.000 0.000 0.283 469 V C -0.119 175.976 176.094 0.001 0.000 1.023 469 V CA -0.501 61.793 62.300 -0.011 0.000 0.857 469 V CB 1.608 33.430 31.823 -0.002 0.000 0.985 469 V HN 0.453 nan 8.190 nan 0.000 0.443 470 L N 5.254 126.477 121.223 -0.001 0.000 2.280 470 L HA 0.489 4.829 4.340 0.000 0.000 0.287 470 L C 0.797 177.685 176.870 0.030 0.000 1.023 470 L CA -0.054 54.797 54.840 0.018 0.000 0.819 470 L CB 1.753 43.814 42.059 0.003 0.000 1.212 470 L HN 0.794 nan 8.230 nan 0.000 0.420 471 S N 2.479 118.206 115.700 0.046 0.000 2.606 471 S HA 0.145 4.615 4.470 0.000 0.000 0.257 471 S C 0.152 174.783 174.600 0.052 0.000 1.327 471 S CA -0.635 57.589 58.200 0.039 0.000 0.984 471 S CB 0.620 63.838 63.200 0.031 0.000 0.941 471 S HN 0.605 nan 8.310 nan 0.000 0.576 472 K N 0.997 121.424 120.400 0.044 0.000 2.453 472 K HA -0.049 4.271 4.320 0.000 0.000 0.280 472 K C -0.251 176.398 176.600 0.081 0.000 1.045 472 K CA 0.387 56.708 56.287 0.057 0.000 1.059 472 K CB -0.470 32.057 32.500 0.045 0.000 0.901 472 K HN 0.673 nan 8.250 nan 0.000 0.475 473 N N 2.050 120.813 118.700 0.106 0.000 2.747 473 N HA -0.212 4.528 4.740 0.000 0.000 0.249 473 N C -0.722 174.883 175.510 0.158 0.000 1.107 473 N CA 1.055 54.187 53.050 0.137 0.000 0.707 473 N CB -0.966 37.593 38.487 0.120 0.000 1.054 473 N HN 0.771 nan 8.380 nan 0.000 0.555 474 E N 0.359 120.653 120.200 0.158 0.000 2.360 474 E HA 0.326 4.676 4.350 0.000 0.000 0.269 474 E C -0.499 176.254 176.600 0.255 0.000 1.022 474 E CA -0.294 56.218 56.400 0.186 0.000 0.887 474 E CB 0.807 30.595 29.700 0.147 0.000 0.990 474 E HN 0.045 nan 8.360 nan 0.000 0.426 475 V N 3.825 123.922 119.914 0.305 0.000 2.487 475 V HA 0.379 4.499 4.120 0.000 0.000 0.298 475 V C -0.071 176.279 176.094 0.427 0.000 1.028 475 V CA -0.673 61.867 62.300 0.401 0.000 0.860 475 V CB 1.799 33.872 31.823 0.417 0.000 0.991 475 V HN 0.739 nan 8.190 nan 0.000 0.427 476 T N 4.844 119.563 114.554 0.274 0.000 2.893 476 T HA 0.673 5.023 4.350 0.000 0.000 0.293 476 T C -1.358 173.186 174.700 -0.260 0.000 1.027 476 T CA -0.415 61.698 62.100 0.022 0.000 0.988 476 T CB 1.348 70.215 68.868 -0.002 0.000 1.043 476 T HN 0.529 nan 8.240 nan 0.000 0.461 477 L N 6.415 127.182 121.223 -0.759 0.000 2.295 477 L HA 0.723 5.063 4.340 0.000 0.000 0.285 477 L C -1.175 175.450 176.870 -0.407 0.000 1.035 477 L CA -0.447 53.993 54.840 -0.666 0.000 0.806 477 L CB 0.809 42.246 42.059 -1.037 0.000 1.214 477 L HN 0.593 nan 8.230 nan 0.000 0.426 478 I N 4.385 124.789 120.570 -0.276 0.000 2.418 478 I HA 0.426 4.596 4.170 0.000 0.000 0.287 478 I C -0.638 175.377 176.117 -0.170 0.000 1.008 478 I CA -0.541 60.634 61.300 -0.208 0.000 1.104 478 I CB 1.722 39.620 38.000 -0.169 0.000 1.264 478 I HN 0.647 nan 8.210 nan 0.000 0.438 479 E N 6.287 126.397 120.200 -0.150 0.000 2.187 479 E HA 0.631 4.981 4.350 0.000 0.000 0.268 479 E C -1.128 175.427 176.600 -0.074 0.000 0.896 479 E CA -0.613 55.733 56.400 -0.089 0.000 0.766 479 E CB 3.133 32.800 29.700 -0.054 0.000 1.142 479 E HN 0.447 nan 8.360 nan 0.000 0.408 480 I N 3.155 123.717 120.570 -0.014 0.000 2.410 480 I HA 0.231 4.401 4.170 0.000 0.000 0.286 480 I C -0.289 175.903 176.117 0.125 0.000 1.009 480 I CA -0.501 60.820 61.300 0.036 0.000 1.111 480 I CB 1.100 39.126 38.000 0.043 0.000 1.262 480 I HN 0.292 nan 8.210 nan 0.000 0.443 481 E N 5.360 125.625 120.200 0.109 0.000 2.277 481 E HA 0.304 4.654 4.350 0.000 0.000 0.266 481 E C -1.008 175.461 176.600 -0.218 0.000 0.901 481 E CA -0.941 55.462 56.400 0.006 0.000 0.782 481 E CB 2.320 32.060 29.700 0.067 0.000 1.228 481 E HN 0.486 nan 8.360 nan 0.000 0.424 482 Q N 1.108 120.453 119.800 -0.758 0.000 2.332 482 Q HA 0.212 4.552 4.340 0.000 0.000 0.263 482 Q C -0.958 174.799 176.000 -0.406 0.000 0.979 482 Q CA -0.254 54.866 55.803 -1.138 0.000 0.885 482 Q CB 0.864 28.694 28.738 -1.514 0.000 1.218 482 Q HN 0.223 nan 8.270 nan 0.000 0.405 483 V N 6.032 125.814 119.914 -0.220 0.000 2.350 483 V HA 0.277 4.397 4.120 0.000 0.000 0.276 483 V C -0.173 175.866 176.094 -0.092 0.000 1.028 483 V CA -0.499 61.736 62.300 -0.107 0.000 0.860 483 V CB 1.098 32.908 31.823 -0.022 0.000 0.990 483 V HN 0.772 nan 8.190 nan 0.000 0.453 484 R N 3.086 123.531 120.500 -0.091 0.000 2.408 484 R HA 0.276 4.616 4.340 0.000 0.000 0.308 484 R C -0.553 175.729 176.300 -0.030 0.000 1.210 484 R CA -0.684 55.386 56.100 -0.051 0.000 1.115 484 R CB 0.314 30.583 30.300 -0.052 0.000 1.127 484 R HN 0.570 nan 8.270 nan 0.000 0.523 485 D N 2.491 122.882 120.400 -0.014 0.000 2.434 485 D HA -0.044 4.596 4.640 0.000 0.000 0.252 485 D C 0.327 176.642 176.300 0.025 0.000 1.185 485 D CA 0.430 54.429 54.000 -0.002 0.000 0.886 485 D CB 0.790 41.592 40.800 0.003 0.000 1.148 485 D HN 0.466 nan 8.370 nan 0.000 0.483 486 E N 1.445 121.677 120.200 0.053 0.000 2.481 486 E HA 0.011 4.361 4.350 0.000 0.000 0.198 486 E C 1.254 177.999 176.600 0.242 0.000 1.027 486 E CA 0.007 56.485 56.400 0.131 0.000 0.900 486 E CB 0.441 30.243 29.700 0.170 0.000 0.993 486 E HN 0.435 nan 8.360 nan 0.000 0.482 487 T N 0.601 115.229 114.554 0.123 0.000 2.849 487 T HA -0.176 4.174 4.350 0.000 0.000 0.270 487 T C 2.113 176.925 174.700 0.188 0.000 1.066 487 T CA 1.637 63.797 62.100 0.099 0.000 1.130 487 T CB -0.141 68.701 68.868 -0.043 0.000 0.864 487 T HN 0.264 nan 8.240 nan 0.000 0.481 488 S N 0.632 116.406 115.700 0.124 0.000 2.453 488 S HA -0.071 4.399 4.470 0.000 0.000 0.231 488 S C 2.043 176.693 174.600 0.083 0.000 1.005 488 S CA 0.968 59.220 58.200 0.087 0.000 0.949 488 S CB -0.754 62.476 63.200 0.049 0.000 0.774 488 S HN 0.357 nan 8.310 nan 0.000 0.510 489 T N 1.031 115.639 114.554 0.089 0.000 2.977 489 T HA 0.021 4.371 4.350 0.000 0.000 0.271 489 T C -0.368 174.289 174.700 -0.072 0.000 1.105 489 T CA 0.819 62.914 62.100 -0.009 0.000 1.116 489 T CB -0.454 68.378 68.868 -0.060 0.000 0.878 489 T HN 0.556 nan 8.240 nan 0.000 0.509 490 Y N 1.833 122.123 120.300 -0.017 0.000 2.724 490 Y HA 0.376 4.926 4.550 0.000 0.000 0.332 490 Y C 0.159 176.051 175.900 -0.014 0.000 1.276 490 Y CA -1.159 56.931 58.100 -0.018 0.000 1.597 490 Y CB -0.482 37.965 38.460 -0.022 0.000 1.584 490 Y HN -0.148 nan 8.280 nan 0.000 0.478 491 V N 1.924 121.879 119.914 0.068 0.000 2.485 491 V HA 0.276 4.396 4.120 0.000 0.000 0.287 491 V C 1.191 177.314 176.094 0.048 0.000 1.022 491 V CA 0.979 63.307 62.300 0.047 0.000 1.067 491 V CB 0.369 32.200 31.823 0.014 0.000 0.967 491 V HN 0.996 nan 8.190 nan 0.000 0.479 492 G N 3.990 112.818 108.800 0.047 0.000 2.175 492 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 492 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 492 G C 0.167 175.093 174.900 0.043 0.000 0.982 492 G CA 0.153 45.275 45.100 0.037 0.000 0.641 492 G HN 0.808 nan 8.290 nan 0.000 0.527 493 L N 1.037 122.299 121.223 0.066 0.000 2.559 493 L HA 0.483 4.823 4.340 0.000 0.000 0.282 493 L C -0.422 176.459 176.870 0.018 0.000 1.232 493 L CA 0.674 55.544 54.840 0.051 0.000 0.885 493 L CB 0.652 42.748 42.059 0.060 0.000 1.131 493 L HN 0.196 nan 8.230 nan 0.000 0.498 494 D N 3.007 123.411 120.400 0.007 0.000 2.452 494 D HA 0.127 4.767 4.640 0.000 0.000 0.226 494 D C -0.011 176.291 176.300 0.003 0.000 1.366 494 D CA -0.445 53.558 54.000 0.005 0.000 0.986 494 D CB 1.176 41.985 40.800 0.014 0.000 1.420 494 D HN 0.539 nan 8.370 nan 0.000 0.583 495 D N 1.992 122.388 120.400 -0.007 0.000 2.263 495 D HA -0.030 4.610 4.640 0.000 0.000 0.208 495 D C 1.998 178.336 176.300 0.063 0.000 0.971 495 D CA 1.055 55.054 54.000 -0.001 0.000 0.867 495 D CB 0.086 40.872 40.800 -0.024 0.000 0.929 495 D HN 0.624 nan 8.370 nan 0.000 0.492 496 G N 0.491 109.323 108.800 0.055 0.000 2.559 496 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 496 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 496 G C 1.360 176.296 174.900 0.059 0.000 1.126 496 G CA 0.224 45.362 45.100 0.064 0.000 0.778 496 G HN 0.168 nan 8.290 nan 0.000 0.543 497 E N -0.070 120.159 120.200 0.048 0.000 2.478 497 E HA 0.112 4.462 4.350 0.000 0.000 0.194 497 E C 0.656 177.288 176.600 0.054 0.000 1.045 497 E CA -0.080 56.345 56.400 0.041 0.000 0.868 497 E CB 0.407 30.123 29.700 0.027 0.000 0.885 497 E HN 0.455 nan 8.360 nan 0.000 0.505 498 I N 1.599 122.218 120.570 0.081 0.000 2.395 498 I HA 0.008 4.178 4.170 0.000 0.000 0.289 498 I C 0.939 177.170 176.117 0.190 0.000 1.023 498 I CA -0.427 60.945 61.300 0.120 0.000 1.350 498 I CB 1.140 39.196 38.000 0.093 0.000 1.409 498 I HN -0.218 nan 8.210 nan 0.000 0.507 499 T N 4.169 118.813 114.554 0.149 0.000 2.866 499 T HA 0.007 4.357 4.350 0.000 0.000 0.293 499 T C 1.057 175.815 174.700 0.097 0.000 1.005 499 T CA 0.705 62.868 62.100 0.104 0.000 1.162 499 T CB 0.083 68.988 68.868 0.063 0.000 0.968 499 T HN 1.176 nan 8.240 nan 0.000 0.530 500 S N 1.910 117.586 115.700 -0.041 0.000 2.524 500 S HA -0.197 4.273 4.470 0.000 0.000 0.254 500 S C -0.107 174.256 174.600 -0.395 0.000 1.258 500 S CA 0.971 59.025 58.200 -0.243 0.000 1.448 500 S CB -2.658 60.321 63.200 -0.368 0.000 1.806 500 S HN 0.873 nan 8.310 nan 0.000 0.630 501 Y N 2.747 123.045 120.300 -0.004 0.000 2.420 501 Y HA 0.722 5.272 4.550 0.000 0.000 0.334 501 Y C 0.905 176.801 175.900 -0.006 0.000 1.094 501 Y CA 0.663 58.759 58.100 -0.006 0.000 1.126 501 Y CB 1.990 40.445 38.460 -0.009 0.000 1.217 501 Y HN 1.236 nan 8.280 nan 0.000 0.462 502 S N 0.000 115.774 115.700 0.123 0.000 2.498 502 S HA 0.000 4.470 4.470 0.000 0.000 0.327 502 S CA 0.000 58.252 58.200 0.087 0.000 1.107 502 S CB 0.000 63.248 63.200 0.081 0.000 0.593 502 S HN 0.000 nan 8.310 nan 0.000 0.517