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 2r5i_1_J DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.613 177.584 0.049 0.000 1.274 20 A CA 0.000 52.047 52.037 0.017 0.000 0.836 20 A CB 0.000 19.016 19.000 0.027 0.000 0.831 21 V N 2.492 122.366 119.914 -0.066 0.000 2.649 21 V HA 0.496 4.615 4.120 -0.000 0.000 0.292 21 V C 0.386 176.366 176.094 -0.190 0.000 1.055 21 V CA -0.265 61.994 62.300 -0.070 0.000 1.023 21 V CB 1.438 33.030 31.823 -0.384 0.000 0.992 21 V HN 0.744 nan 8.190 nan 0.000 0.480 22 V N 3.567 123.521 119.914 0.066 0.000 2.769 22 V HA 0.372 4.492 4.120 -0.000 0.000 0.312 22 V C 0.358 176.570 176.094 0.197 0.000 1.058 22 V CA -1.139 61.172 62.300 0.017 0.000 0.952 22 V CB 1.851 33.669 31.823 -0.010 0.000 1.019 22 V HN 0.847 nan 8.190 nan 0.000 0.445 23 N N 2.011 120.871 118.700 0.265 0.000 2.412 23 N HA -0.038 4.701 4.740 -0.000 0.000 0.258 23 N C 1.460 177.064 175.510 0.157 0.000 1.236 23 N CA 0.804 54.039 53.050 0.307 0.000 0.882 23 N CB 1.589 40.217 38.487 0.234 0.000 1.066 23 N HN 1.008 nan 8.380 nan 0.000 0.465 24 T N -0.353 114.243 114.554 0.070 0.000 2.833 24 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 24 T C 0.910 175.439 174.700 -0.285 0.000 1.054 24 T CA 1.039 62.959 62.100 -0.302 0.000 1.135 24 T CB -0.015 68.746 68.868 -0.178 0.000 0.869 24 T HN 0.447 nan 8.240 nan 0.000 0.466 25 D N 1.808 122.160 120.400 -0.080 0.000 2.322 25 D HA -0.122 4.518 4.640 -0.000 0.000 0.210 25 D C 1.223 177.509 176.300 -0.023 0.000 0.983 25 D CA 1.147 55.121 54.000 -0.043 0.000 0.902 25 D CB -0.286 40.520 40.800 0.010 0.000 0.905 25 D HN 0.492 nan 8.370 nan 0.000 0.483 26 D N -0.817 119.581 120.400 -0.003 0.000 2.333 26 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 26 D C 1.365 177.747 176.300 0.137 0.000 0.984 26 D CA 0.497 54.541 54.000 0.072 0.000 0.873 26 D CB 0.062 40.928 40.800 0.110 0.000 0.935 26 D HN 0.542 nan 8.370 nan 0.000 0.521 27 Y N -2.451 117.877 120.300 0.048 0.000 2.563 27 Y HA 0.489 5.039 4.550 -0.000 0.000 0.250 27 Y C -0.319 175.647 175.900 0.111 0.000 1.126 27 Y CA -0.522 57.615 58.100 0.062 0.000 1.231 27 Y CB 0.387 38.871 38.460 0.040 0.000 1.288 27 Y HN -0.330 nan 8.280 nan 0.000 0.537 28 V N 2.434 122.317 119.914 -0.052 0.000 2.357 28 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 28 V C -0.201 175.882 176.094 -0.019 0.000 1.015 28 V CA -0.625 61.660 62.300 -0.025 0.000 0.827 28 V CB 1.173 32.914 31.823 -0.136 0.000 1.018 28 V HN 0.368 nan 8.190 nan 0.000 0.432 29 T N 5.196 119.755 114.554 0.009 0.000 2.907 29 T HA 0.411 4.761 4.350 -0.000 0.000 0.298 29 T C 0.240 174.928 174.700 -0.020 0.000 1.017 29 T CA -0.413 61.688 62.100 0.001 0.000 1.118 29 T CB 0.703 69.579 68.868 0.013 0.000 0.948 29 T HN 0.487 nan 8.240 nan 0.000 0.531 30 R N 1.597 122.090 120.500 -0.012 0.000 2.349 30 R HA 0.474 4.813 4.340 -0.000 0.000 0.299 30 R C 0.979 177.258 176.300 -0.035 0.000 1.027 30 R CA -0.611 55.474 56.100 -0.025 0.000 0.958 30 R CB 1.016 31.319 30.300 0.005 0.000 1.047 30 R HN 0.831 nan 8.270 nan 0.000 0.468 31 T N -1.982 112.527 114.554 -0.075 0.000 2.852 31 T HA 0.135 4.485 4.350 -0.000 0.000 0.281 31 T C 1.060 175.691 174.700 -0.115 0.000 0.993 31 T CA -0.598 61.459 62.100 -0.071 0.000 0.933 31 T CB 1.195 70.021 68.868 -0.070 0.000 1.187 31 T HN 0.533 nan 8.240 nan 0.000 0.559 32 S N -0.655 115.001 115.700 -0.073 0.000 2.575 32 S HA 0.300 4.770 4.470 -0.000 0.000 0.237 32 S C 0.223 174.764 174.600 -0.098 0.000 0.975 32 S CA -0.743 57.431 58.200 -0.042 0.000 0.960 32 S CB -0.441 62.809 63.200 0.083 0.000 0.822 32 S HN 0.558 nan 8.310 nan 0.000 0.472 33 I N 2.465 122.923 120.570 -0.186 0.000 2.365 33 I HA 0.501 4.670 4.170 -0.000 0.000 0.291 33 I C -0.607 175.408 176.117 -0.170 0.000 1.004 33 I CA -1.370 59.904 61.300 -0.043 0.000 1.311 33 I CB -0.262 37.811 38.000 0.122 0.000 1.401 33 I HN 0.171 nan 8.210 nan 0.000 0.491 34 F N 5.699 125.762 119.950 0.188 0.000 2.569 34 F HA 0.514 5.041 4.527 -0.000 0.000 0.312 34 F C -0.442 175.429 175.800 0.117 0.000 1.109 34 F CA -0.646 57.470 58.000 0.194 0.000 0.919 34 F CB 1.789 40.814 39.000 0.041 0.000 1.211 34 F HN 0.212 nan 8.300 nan 0.000 0.446 35 Y N 1.143 121.561 120.300 0.197 0.000 2.549 35 Y HA 0.416 4.966 4.550 -0.000 0.000 0.339 35 Y C -0.128 175.692 175.900 -0.135 0.000 1.053 35 Y CA -0.937 57.205 58.100 0.069 0.000 1.105 35 Y CB 1.389 39.883 38.460 0.058 0.000 1.258 35 Y HN 0.508 nan 8.280 nan 0.000 0.478 36 H N 1.093 120.091 119.070 -0.121 0.000 2.533 36 H HA 0.880 5.436 4.556 -0.000 0.000 0.343 36 H C -1.679 173.341 175.328 -0.513 0.000 1.160 36 H CA -0.716 55.129 56.048 -0.339 0.000 1.218 36 H CB 1.676 31.224 29.762 -0.357 0.000 1.566 36 H HN 0.807 nan 8.280 nan 0.000 0.522 37 A N 1.830 124.204 122.820 -0.743 0.000 2.589 37 A HA 0.634 4.954 4.320 -0.000 0.000 0.296 37 A C -1.041 176.333 177.584 -0.350 0.000 1.062 37 A CA -0.071 51.697 52.037 -0.448 0.000 0.686 37 A CB 1.626 20.169 19.000 -0.762 0.000 1.282 37 A HN 0.962 nan 8.150 nan 0.000 0.404 38 G N 0.607 109.371 108.800 -0.060 0.000 2.761 38 G HA2 0.639 4.599 3.960 -0.000 0.000 0.296 38 G HA3 0.639 4.599 3.960 -0.000 0.000 0.296 38 G C -0.225 174.699 174.900 0.040 0.000 1.416 38 G CA 0.286 45.381 45.100 -0.008 0.000 1.105 38 G HN 1.775 nan 8.290 nan 0.000 0.565 39 S N 0.974 116.685 115.700 0.018 0.000 2.576 39 S HA 0.369 4.839 4.470 -0.000 0.000 0.272 39 S C 1.798 176.407 174.600 0.016 0.000 1.352 39 S CA 0.633 58.839 58.200 0.011 0.000 1.021 39 S CB 1.287 64.449 63.200 -0.063 0.000 0.887 39 S HN 1.682 nan 8.310 nan 0.000 0.542 40 S N 1.766 117.491 115.700 0.043 0.000 2.396 40 S HA -0.022 4.448 4.470 -0.000 0.000 0.204 40 S C 0.805 175.423 174.600 0.030 0.000 1.060 40 S CA 0.587 58.818 58.200 0.052 0.000 1.098 40 S CB -0.524 62.718 63.200 0.071 0.000 1.022 40 S HN 1.029 nan 8.310 nan 0.000 0.413 41 R N 0.289 120.816 120.500 0.044 0.000 2.912 41 R HA 0.402 4.742 4.340 -0.000 0.000 0.278 41 R C -1.697 174.655 176.300 0.086 0.000 1.533 41 R CA -0.392 55.729 56.100 0.035 0.000 1.061 41 R CB 0.351 30.672 30.300 0.036 0.000 1.313 41 R HN 0.457 nan 8.270 nan 0.000 0.443 42 L N 4.076 125.338 121.223 0.066 0.000 2.426 42 L HA 0.419 4.759 4.340 -0.000 0.000 0.271 42 L C -0.354 176.700 176.870 0.308 0.000 1.169 42 L CA -0.422 54.545 54.840 0.211 0.000 0.836 42 L CB 0.761 42.750 42.059 -0.116 0.000 1.112 42 L HN 0.509 nan 8.230 nan 0.000 0.465 43 L N 2.241 123.755 121.223 0.485 0.000 2.506 43 L HA 0.678 5.018 4.340 -0.000 0.000 0.257 43 L C -0.786 176.290 176.870 0.344 0.000 0.964 43 L CA 0.098 55.144 54.840 0.344 0.000 0.836 43 L CB 2.521 44.687 42.059 0.178 0.000 1.384 43 L HN 0.623 nan 8.230 nan 0.000 0.410 44 T N 3.384 118.088 114.554 0.250 0.000 3.193 44 T HA 0.708 5.057 4.350 -0.000 0.000 0.332 44 T C -1.684 173.043 174.700 0.044 0.000 1.208 44 T CA 0.070 62.240 62.100 0.116 0.000 1.080 44 T CB 0.927 69.843 68.868 0.080 0.000 1.180 44 T HN 1.187 nan 8.240 nan 0.000 0.469 45 V N 1.674 121.589 119.914 0.002 0.000 2.962 45 V HA 1.115 5.235 4.120 -0.000 0.000 0.313 45 V C 0.206 176.293 176.094 -0.011 0.000 1.099 45 V CA -0.033 62.255 62.300 -0.020 0.000 0.971 45 V CB 1.372 33.179 31.823 -0.026 0.000 1.028 45 V HN 1.394 nan 8.190 nan 0.000 0.430 46 G N 0.944 109.742 108.800 -0.003 0.000 2.548 46 G HA2 0.408 4.368 3.960 -0.000 0.000 0.301 46 G HA3 0.408 4.368 3.960 -0.000 0.000 0.301 46 G C -1.933 172.953 174.900 -0.023 0.000 1.349 46 G CA -0.316 44.781 45.100 -0.004 0.000 0.792 46 G HN 0.949 nan 8.290 nan 0.000 0.481 47 D N 0.341 120.702 120.400 -0.064 0.000 2.350 47 D HA 0.256 4.896 4.640 -0.000 0.000 0.249 47 D C -1.120 175.074 176.300 -0.176 0.000 1.119 47 D CA -1.670 52.220 54.000 -0.184 0.000 0.886 47 D CB 2.285 42.919 40.800 -0.275 0.000 1.195 47 D HN 0.053 nan 8.370 nan 0.000 0.437 48 P HA -0.094 nan 4.420 nan 0.000 0.229 48 P C 0.716 178.100 177.300 0.141 0.000 1.160 48 P CA 1.034 64.069 63.100 -0.110 0.000 0.777 48 P CB 0.098 31.655 31.700 -0.238 0.000 0.814 49 Y N -1.065 119.082 120.300 -0.255 0.000 2.467 49 Y HA 0.260 4.810 4.550 -0.000 0.000 0.259 49 Y C 0.805 176.674 175.900 -0.051 0.000 1.084 49 Y CA -0.879 57.113 58.100 -0.180 0.000 1.275 49 Y CB 0.595 38.912 38.460 -0.239 0.000 1.208 49 Y HN -0.145 nan 8.280 nan 0.000 0.511 50 F N -0.784 119.278 119.950 0.187 0.000 2.829 50 F HA 0.419 4.946 4.527 -0.000 0.000 0.319 50 F C -1.158 174.688 175.800 0.077 0.000 1.153 50 F CA -2.141 55.928 58.000 0.114 0.000 0.912 50 F CB 0.582 39.639 39.000 0.095 0.000 1.292 50 F HN -0.200 nan 8.300 nan 0.000 0.447 51 R N 0.955 121.672 120.500 0.362 0.000 2.410 51 R HA 0.787 5.127 4.340 -0.000 0.000 0.288 51 R C -1.561 174.922 176.300 0.304 0.000 1.051 51 R CA -0.834 55.401 56.100 0.226 0.000 1.021 51 R CB 1.525 31.905 30.300 0.135 0.000 1.032 51 R HN 0.550 nan 8.270 nan 0.000 0.481 52 V N 3.855 123.901 119.914 0.220 0.000 2.348 52 V HA 0.256 4.376 4.120 -0.000 0.000 0.270 52 V C -2.020 174.143 176.094 0.114 0.000 1.037 52 V CA -2.266 60.154 62.300 0.200 0.000 0.872 52 V CB 0.814 32.744 31.823 0.179 0.000 1.002 52 V HN 0.795 nan 8.190 nan 0.000 0.464 53 P HA 0.073 nan 4.420 nan 0.000 0.262 53 P C 0.279 177.608 177.300 0.050 0.000 1.182 53 P CA 0.330 63.463 63.100 0.055 0.000 0.761 53 P CB 0.395 32.118 31.700 0.038 0.000 0.795 54 A N 4.392 127.235 122.820 0.038 0.000 2.622 54 A HA 0.248 4.568 4.320 -0.000 0.000 0.235 54 A C 1.777 179.378 177.584 0.028 0.000 1.013 54 A CA 0.827 52.881 52.037 0.029 0.000 0.765 54 A CB -1.281 17.730 19.000 0.019 0.000 0.921 54 A HN 0.943 nan 8.150 nan 0.000 0.506 55 G N 1.779 110.596 108.800 0.027 0.000 2.225 55 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.272 55 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.272 55 G C 1.474 176.390 174.900 0.027 0.000 0.996 55 G CA 1.540 46.654 45.100 0.024 0.000 0.710 55 G HN 2.003 nan 8.290 nan 0.000 0.522 56 G N 0.291 109.112 108.800 0.035 0.000 2.587 56 G HA2 0.090 4.049 3.960 -0.000 0.000 0.217 56 G HA3 0.090 4.049 3.960 -0.000 0.000 0.217 56 G C 1.761 176.685 174.900 0.040 0.000 1.240 56 G CA 1.916 47.038 45.100 0.036 0.000 0.794 56 G HN 1.312 nan 8.290 nan 0.000 0.580 57 G N 1.180 110.014 108.800 0.056 0.000 2.551 57 G HA2 0.049 4.009 3.960 -0.000 0.000 0.214 57 G HA3 0.049 4.009 3.960 -0.000 0.000 0.214 57 G C 0.654 175.577 174.900 0.038 0.000 1.250 57 G CA 0.787 45.923 45.100 0.060 0.000 0.825 57 G HN 0.698 nan 8.290 nan 0.000 0.549 58 N N 0.116 118.835 118.700 0.033 0.000 2.448 58 N HA 0.158 4.897 4.740 -0.000 0.000 0.279 58 N C -0.496 175.021 175.510 0.012 0.000 1.025 58 N CA -0.661 52.397 53.050 0.014 0.000 0.898 58 N CB 1.914 40.399 38.487 -0.004 0.000 1.303 58 N HN 0.351 nan 8.380 nan 0.000 0.495 59 K N 2.456 122.862 120.400 0.009 0.000 2.486 59 K HA -0.325 3.995 4.320 -0.000 0.000 0.257 59 K C -0.480 176.124 176.600 0.006 0.000 1.024 59 K CA 0.944 57.236 56.287 0.008 0.000 1.122 59 K CB 0.018 32.520 32.500 0.003 0.000 0.758 59 K HN 0.865 nan 8.250 nan 0.000 0.461 60 Q N 2.143 121.948 119.800 0.008 0.000 3.221 60 Q HA -0.156 4.184 4.340 -0.000 0.000 0.030 60 Q C -1.334 174.673 176.000 0.012 0.000 1.702 60 Q CA 1.110 56.916 55.803 0.006 0.000 0.246 60 Q CB -0.030 28.708 28.738 -0.001 0.000 0.584 60 Q HN 0.771 nan 8.270 nan 0.000 0.322 61 D N 3.416 123.824 120.400 0.013 0.000 2.525 61 D HA 0.023 4.662 4.640 -0.000 0.000 0.235 61 D C 0.304 176.614 176.300 0.017 0.000 1.137 61 D CA 0.549 54.562 54.000 0.021 0.000 0.868 61 D CB 0.408 41.218 40.800 0.016 0.000 1.180 61 D HN 0.305 nan 8.370 nan 0.000 0.465 62 I N 4.493 125.083 120.570 0.033 0.000 2.306 62 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 62 I C -2.035 174.100 176.117 0.031 0.000 1.036 62 I CA -2.430 58.886 61.300 0.027 0.000 1.221 62 I CB 0.636 38.661 38.000 0.042 0.000 1.385 62 I HN -0.044 nan 8.210 nan 0.000 0.472 63 P HA 0.077 nan 4.420 nan 0.000 0.271 63 P C -0.298 177.019 177.300 0.028 0.000 1.233 63 P CA -0.434 62.674 63.100 0.014 0.000 0.789 63 P CB 0.751 32.442 31.700 -0.015 0.000 0.951 64 K N 1.341 121.770 120.400 0.049 0.000 2.268 64 K HA 0.345 4.665 4.320 -0.000 0.000 0.276 64 K C -1.453 175.200 176.600 0.088 0.000 1.080 64 K CA -0.422 55.904 56.287 0.066 0.000 0.910 64 K CB 0.120 32.681 32.500 0.102 0.000 1.163 64 K HN 0.157 nan 8.250 nan 0.000 0.465 65 V N 3.345 123.319 119.914 0.100 0.000 2.349 65 V HA 0.234 4.354 4.120 -0.000 0.000 0.284 65 V C -0.309 175.947 176.094 0.269 0.000 1.014 65 V CA -0.618 61.778 62.300 0.160 0.000 0.826 65 V CB 1.203 33.098 31.823 0.121 0.000 1.009 65 V HN 0.771 nan 8.190 nan 0.000 0.431 66 S N 3.384 119.253 115.700 0.281 0.000 2.638 66 S HA 0.776 5.246 4.470 -0.000 0.000 0.302 66 S C 1.050 175.799 174.600 0.249 0.000 1.096 66 S CA 0.220 58.589 58.200 0.282 0.000 0.953 66 S CB 2.184 65.553 63.200 0.282 0.000 1.107 66 S HN 0.860 nan 8.310 nan 0.000 0.503 67 A N 1.624 124.447 122.820 0.005 0.000 2.123 67 A HA 0.225 4.544 4.320 -0.000 0.000 0.214 67 A C 0.348 177.769 177.584 -0.270 0.000 1.152 67 A CA 0.637 52.600 52.037 -0.123 0.000 0.728 67 A CB -0.507 18.235 19.000 -0.431 0.000 0.814 67 A HN 0.802 nan 8.150 nan 0.000 0.464 68 Y N 1.273 121.661 120.300 0.146 0.000 2.955 68 Y HA 0.297 4.847 4.550 -0.000 0.000 0.386 68 Y C 0.491 176.449 175.900 0.097 0.000 1.069 68 Y CA -0.217 57.958 58.100 0.124 0.000 1.764 68 Y CB -0.278 38.282 38.460 0.166 0.000 1.646 68 Y HN 0.541 nan 8.280 nan 0.000 0.486 69 Q N -1.969 117.924 119.800 0.155 0.000 2.345 69 Q HA 0.407 4.747 4.340 -0.000 0.000 0.275 69 Q C -1.574 174.514 176.000 0.146 0.000 1.063 69 Q CA -1.287 54.622 55.803 0.177 0.000 0.819 69 Q CB 1.410 30.274 28.738 0.211 0.000 1.356 69 Q HN 0.176 nan 8.270 nan 0.000 0.418 70 Y N 0.931 121.294 120.300 0.104 0.000 2.497 70 Y HA 0.174 4.724 4.550 -0.000 0.000 0.334 70 Y C 0.447 176.356 175.900 0.016 0.000 1.199 70 Y CA 0.046 58.189 58.100 0.072 0.000 1.425 70 Y CB 0.711 39.202 38.460 0.053 0.000 1.291 70 Y HN 0.297 nan 8.280 nan 0.000 0.562 71 R N 2.387 122.937 120.500 0.083 0.000 2.338 71 R HA 0.522 4.862 4.340 -0.000 0.000 0.317 71 R C -1.573 174.559 176.300 -0.281 0.000 0.968 71 R CA -0.801 55.180 56.100 -0.198 0.000 0.849 71 R CB 1.558 31.570 30.300 -0.479 0.000 1.128 71 R HN 0.420 nan 8.270 nan 0.000 0.448 72 V N 5.309 125.054 119.914 -0.282 0.000 2.376 72 V HA 0.410 4.530 4.120 -0.000 0.000 0.287 72 V C -0.555 175.386 176.094 -0.255 0.000 1.015 72 V CA -0.724 61.510 62.300 -0.110 0.000 0.834 72 V CB 1.086 33.029 31.823 0.200 0.000 1.001 72 V HN 0.501 nan 8.190 nan 0.000 0.428 73 F N 3.360 123.298 119.950 -0.021 0.000 2.408 73 F HA 0.562 5.089 4.527 -0.000 0.000 0.344 73 F C 0.744 176.426 175.800 -0.197 0.000 1.112 73 F CA -0.531 57.407 58.000 -0.103 0.000 1.096 73 F CB 1.314 40.174 39.000 -0.232 0.000 1.129 73 F HN 0.306 nan 8.300 nan 0.000 0.486 74 R N 3.331 123.747 120.500 -0.139 0.000 2.280 74 R HA 0.465 4.804 4.340 -0.000 0.000 0.326 74 R C -1.499 174.606 176.300 -0.325 0.000 1.080 74 R CA -0.360 55.399 56.100 -0.569 0.000 1.002 74 R CB 0.494 30.462 30.300 -0.554 0.000 1.136 74 R HN 0.546 nan 8.270 nan 0.000 0.509 75 V N 4.512 124.241 119.914 -0.309 0.000 2.427 75 V HA 0.069 4.189 4.120 -0.000 0.000 0.268 75 V C 0.194 176.146 176.094 -0.235 0.000 1.046 75 V CA -0.276 61.901 62.300 -0.207 0.000 0.970 75 V CB 1.206 32.893 31.823 -0.227 0.000 1.001 75 V HN 0.633 nan 8.190 nan 0.000 0.476 76 Q N 4.822 124.527 119.800 -0.157 0.000 2.274 76 Q HA 0.573 4.912 4.340 -0.000 0.000 0.256 76 Q C -0.969 174.935 176.000 -0.161 0.000 0.927 76 Q CA 0.062 55.783 55.803 -0.136 0.000 0.939 76 Q CB 1.131 29.826 28.738 -0.072 0.000 1.201 76 Q HN 0.695 nan 8.270 nan 0.000 0.426 77 L N 5.573 126.669 121.223 -0.212 0.000 2.322 77 L HA 0.710 5.050 4.340 -0.000 0.000 0.269 77 L C -2.063 174.592 176.870 -0.359 0.000 1.012 77 L CA -2.400 52.223 54.840 -0.362 0.000 0.815 77 L CB 1.905 43.672 42.059 -0.487 0.000 1.295 77 L HN 0.611 nan 8.230 nan 0.000 0.438 78 P HA 0.013 nan 4.420 nan 0.000 0.278 78 P C -1.154 175.953 177.300 -0.323 0.000 1.238 78 P CA -0.325 62.492 63.100 -0.472 0.000 0.794 78 P CB 1.061 32.282 31.700 -0.799 0.000 0.955 79 D N 4.205 124.485 120.400 -0.201 0.000 2.363 79 D HA 0.023 4.663 4.640 -0.000 0.000 0.263 79 D C -1.086 175.055 176.300 -0.266 0.000 1.258 79 D CA -1.866 52.037 54.000 -0.161 0.000 0.907 79 D CB 0.638 41.407 40.800 -0.053 0.000 1.107 79 D HN 0.233 nan 8.370 nan 0.000 0.495 80 P HA -0.093 nan 4.420 nan 0.000 0.236 80 P C 0.527 177.650 177.300 -0.294 0.000 1.172 80 P CA 0.535 63.249 63.100 -0.643 0.000 0.759 80 P CB 0.606 31.540 31.700 -1.277 0.000 0.843 81 N N 0.785 119.378 118.700 -0.180 0.000 2.349 81 N HA 0.018 4.758 4.740 -0.000 0.000 0.180 81 N C 1.109 176.633 175.510 0.023 0.000 1.024 81 N CA 0.720 53.714 53.050 -0.094 0.000 0.869 81 N CB -0.119 38.321 38.487 -0.078 0.000 1.022 81 N HN 0.260 nan 8.380 nan 0.000 0.433 82 K N 0.312 120.735 120.400 0.039 0.000 2.665 82 K HA 0.090 4.410 4.320 -0.000 0.000 0.214 82 K C -0.358 176.323 176.600 0.135 0.000 1.032 82 K CA -0.037 56.291 56.287 0.068 0.000 1.198 82 K CB -0.150 32.382 32.500 0.054 0.000 0.941 82 K HN 0.022 nan 8.250 nan 0.000 0.491 83 F N 0.229 120.136 119.950 -0.072 0.000 2.541 83 F HA 0.552 5.078 4.527 -0.000 0.000 0.331 83 F C 0.240 176.024 175.800 -0.026 0.000 1.057 83 F CA -1.350 56.609 58.000 -0.068 0.000 0.975 83 F CB 1.479 40.395 39.000 -0.139 0.000 1.246 83 F HN -0.072 nan 8.300 nan 0.000 0.484 84 G N 4.280 112.728 108.800 -0.587 0.000 2.384 84 G HA2 0.540 4.500 3.960 -0.000 0.000 0.316 84 G HA3 0.540 4.500 3.960 -0.000 0.000 0.316 84 G C -1.142 173.465 174.900 -0.490 0.000 1.160 84 G CA -0.622 44.221 45.100 -0.429 0.000 0.936 84 G HN 0.665 nan 8.290 nan 0.000 0.455 85 L N 3.524 124.663 121.223 -0.139 0.000 2.453 85 L HA 0.290 4.630 4.340 -0.000 0.000 0.261 85 L C -0.573 176.316 176.870 0.031 0.000 1.179 85 L CA -1.668 53.184 54.840 0.019 0.000 0.813 85 L CB 1.106 43.213 42.059 0.080 0.000 1.110 85 L HN 0.384 nan 8.230 nan 0.000 0.466 86 P HA -0.096 nan 4.420 nan 0.000 0.222 86 P C -0.263 177.065 177.300 0.047 0.000 1.147 86 P CA 1.161 64.301 63.100 0.066 0.000 0.790 86 P CB 0.186 31.930 31.700 0.074 0.000 0.780 87 D N -1.615 118.820 120.400 0.059 0.000 2.591 87 D HA 0.130 4.770 4.640 -0.000 0.000 0.222 87 D C -0.736 175.607 176.300 0.072 0.000 1.360 87 D CA -0.263 53.768 54.000 0.053 0.000 0.967 87 D CB 0.477 41.308 40.800 0.052 0.000 1.456 87 D HN -0.364 nan 8.370 nan 0.000 0.588 88 T N 1.709 116.300 114.554 0.063 0.000 3.256 88 T HA 0.238 4.588 4.350 -0.000 0.000 0.237 88 T C 0.511 175.262 174.700 0.085 0.000 0.908 88 T CA -0.044 62.117 62.100 0.103 0.000 0.966 88 T CB -0.309 68.612 68.868 0.088 0.000 1.134 88 T HN 0.343 nan 8.240 nan 0.000 0.573 89 S N 0.088 115.836 115.700 0.081 0.000 2.665 89 S HA 0.285 4.755 4.470 -0.000 0.000 0.235 89 S C 0.846 175.495 174.600 0.082 0.000 1.084 89 S CA -0.566 57.667 58.200 0.054 0.000 1.151 89 S CB -0.218 62.993 63.200 0.019 0.000 1.151 89 S HN 0.173 nan 8.310 nan 0.000 0.461 90 I N 1.117 121.779 120.570 0.153 0.000 2.867 90 I HA 0.282 4.451 4.170 -0.000 0.000 0.265 90 I C 0.755 176.990 176.117 0.198 0.000 1.162 90 I CA 0.222 61.604 61.300 0.136 0.000 1.471 90 I CB -0.989 37.065 38.000 0.090 0.000 1.123 90 I HN 0.769 nan 8.210 nan 0.000 0.440 91 Y N -0.213 120.062 120.300 -0.043 0.000 2.655 91 Y HA 0.593 5.142 4.550 -0.000 0.000 0.336 91 Y C -0.601 175.267 175.900 -0.054 0.000 1.154 91 Y CA -1.752 56.315 58.100 -0.055 0.000 1.055 91 Y CB 1.091 39.501 38.460 -0.084 0.000 1.295 91 Y HN -0.008 nan 8.280 nan 0.000 0.465 92 N N 3.265 121.777 118.700 -0.313 0.000 2.469 92 N HA 0.381 5.121 4.740 -0.000 0.000 0.253 92 N C -2.220 172.912 175.510 -0.630 0.000 0.970 92 N CA -2.707 50.079 53.050 -0.439 0.000 0.940 92 N CB 1.702 40.070 38.487 -0.199 0.000 1.128 92 N HN 0.428 nan 8.380 nan 0.000 0.503 93 P HA -0.145 nan 4.420 nan 0.000 0.227 93 P C 0.148 177.299 177.300 -0.249 0.000 1.145 93 P CA 1.042 63.804 63.100 -0.564 0.000 0.769 93 P CB 0.453 31.889 31.700 -0.440 0.000 0.769 94 E N -0.432 119.639 120.200 -0.214 0.000 2.122 94 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 94 E C 1.870 178.416 176.600 -0.089 0.000 0.977 94 E CA 1.782 58.108 56.400 -0.122 0.000 0.820 94 E CB -0.574 29.064 29.700 -0.104 0.000 0.770 94 E HN 0.423 nan 8.360 nan 0.000 0.462 95 T N -2.030 112.465 114.554 -0.097 0.000 2.971 95 T HA 0.102 4.452 4.350 -0.000 0.000 0.252 95 T C 0.844 175.519 174.700 -0.042 0.000 1.022 95 T CA -0.295 61.772 62.100 -0.054 0.000 0.980 95 T CB 0.351 69.196 68.868 -0.038 0.000 1.044 95 T HN 0.062 nan 8.240 nan 0.000 0.501 96 Q N -0.064 119.704 119.800 -0.053 0.000 2.528 96 Q HA 0.771 5.111 4.340 -0.000 0.000 0.289 96 Q C -1.085 174.908 176.000 -0.012 0.000 1.091 96 Q CA -1.424 54.373 55.803 -0.009 0.000 0.797 96 Q CB 1.910 30.695 28.738 0.078 0.000 1.466 96 Q HN -0.062 nan 8.270 nan 0.000 0.436 97 R N 0.071 120.458 120.500 -0.189 0.000 2.922 97 R HA 0.652 4.991 4.340 -0.000 0.000 0.256 97 R C -1.031 174.982 176.300 -0.478 0.000 1.138 97 R CA -0.939 54.877 56.100 -0.473 0.000 0.995 97 R CB 1.376 30.867 30.300 -1.348 0.000 1.226 97 R HN 0.624 nan 8.270 nan 0.000 0.481 98 L N 1.196 122.076 121.223 -0.572 0.000 2.385 98 L HA 0.614 4.953 4.340 -0.000 0.000 0.273 98 L C -0.849 175.788 176.870 -0.388 0.000 0.990 98 L CA -0.994 53.516 54.840 -0.549 0.000 0.821 98 L CB 2.310 43.921 42.059 -0.745 0.000 1.279 98 L HN 0.222 nan 8.230 nan 0.000 0.412 99 V N 0.445 120.162 119.914 -0.328 0.000 2.962 99 V HA 0.431 4.551 4.120 -0.000 0.000 0.313 99 V C -1.204 174.737 176.094 -0.254 0.000 1.099 99 V CA -0.832 61.347 62.300 -0.201 0.000 0.971 99 V CB 2.328 34.113 31.823 -0.064 0.000 1.028 99 V HN 0.676 nan 8.190 nan 0.000 0.430 100 W N 1.514 122.710 121.300 -0.173 0.000 2.391 100 W HA 0.725 5.385 4.660 -0.000 0.000 0.311 100 W C 0.098 176.554 176.519 -0.105 0.000 1.087 100 W CA -0.540 56.705 57.345 -0.167 0.000 1.209 100 W CB 1.746 31.029 29.460 -0.296 0.000 1.273 100 W HN 0.729 nan 8.180 nan 0.000 0.482 101 A N 3.753 126.743 122.820 0.284 0.000 2.271 101 A HA 0.436 4.756 4.320 -0.000 0.000 0.317 101 A C -0.586 177.115 177.584 0.195 0.000 1.245 101 A CA -0.592 51.516 52.037 0.118 0.000 0.857 101 A CB 0.523 19.551 19.000 0.046 0.000 1.175 101 A HN 0.758 nan 8.150 nan 0.000 0.512 102 C N 2.623 121.983 119.300 0.099 0.000 2.653 102 C HA 0.488 4.948 4.460 -0.000 0.000 0.421 102 C C 1.305 176.250 174.990 -0.074 0.000 1.334 102 C CA 0.803 59.825 59.018 0.006 0.000 1.885 102 C CB -0.257 27.459 27.740 -0.040 0.000 2.645 102 C HN 1.104 nan 8.230 nan 0.000 0.601 103 A N 3.800 126.561 122.820 -0.098 0.000 2.653 103 A HA 0.666 4.986 4.320 -0.000 0.000 0.248 103 A C 0.462 178.110 177.584 0.106 0.000 1.211 103 A CA 0.595 52.662 52.037 0.051 0.000 0.991 103 A CB -0.110 18.999 19.000 0.182 0.000 1.252 103 A HN 1.581 nan 8.150 nan 0.000 0.593 104 G N -1.205 107.546 108.800 -0.081 0.000 2.547 104 G HA2 0.548 4.508 3.960 -0.000 0.000 0.291 104 G HA3 0.548 4.508 3.960 -0.000 0.000 0.291 104 G C -1.780 172.901 174.900 -0.366 0.000 1.471 104 G CA -0.134 44.890 45.100 -0.128 0.000 0.798 104 G HN 0.672 nan 8.290 nan 0.000 0.504 105 V N -0.339 119.280 119.914 -0.491 0.000 3.087 105 V HA 0.814 4.934 4.120 -0.000 0.000 0.306 105 V C -0.953 174.859 176.094 -0.471 0.000 1.187 105 V CA -0.794 61.200 62.300 -0.510 0.000 0.999 105 V CB 2.294 33.874 31.823 -0.405 0.000 1.049 105 V HN 1.052 nan 8.190 nan 0.000 0.431 106 E N 2.069 121.958 120.200 -0.518 0.000 2.334 106 E HA 0.501 4.851 4.350 -0.000 0.000 0.280 106 E C -2.002 174.411 176.600 -0.311 0.000 0.899 106 E CA -0.617 55.578 56.400 -0.342 0.000 0.813 106 E CB 1.563 31.036 29.700 -0.379 0.000 1.318 106 E HN 0.573 nan 8.360 nan 0.000 0.399 107 I N 3.998 124.500 120.570 -0.113 0.000 2.308 107 I HA 0.311 4.481 4.170 -0.000 0.000 0.293 107 I C 0.757 176.768 176.117 -0.177 0.000 1.078 107 I CA 0.236 61.425 61.300 -0.185 0.000 1.292 107 I CB 1.300 39.196 38.000 -0.172 0.000 1.423 107 I HN 0.552 nan 8.210 nan 0.000 0.493 108 G N 6.612 115.284 108.800 -0.213 0.000 2.372 108 G HA2 0.508 4.468 3.960 -0.000 0.000 0.283 108 G HA3 0.508 4.468 3.960 -0.000 0.000 0.283 108 G C -0.156 174.603 174.900 -0.234 0.000 1.177 108 G CA -0.609 44.385 45.100 -0.177 0.000 0.842 108 G HN 0.332 nan 8.290 nan 0.000 0.503 109 R N 1.252 121.632 120.500 -0.200 0.000 2.562 109 R HA 0.455 4.795 4.340 -0.000 0.000 0.298 109 R C 0.925 177.112 176.300 -0.190 0.000 0.961 109 R CA -0.330 55.595 56.100 -0.291 0.000 0.881 109 R CB 1.839 31.990 30.300 -0.247 0.000 1.159 109 R HN 0.597 nan 8.270 nan 0.000 0.450 110 G N 1.810 110.476 108.800 -0.222 0.000 2.648 110 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.217 110 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.217 110 G C 0.165 175.014 174.900 -0.086 0.000 1.386 110 G CA 0.042 45.062 45.100 -0.133 0.000 0.920 110 G HN 0.391 nan 8.290 nan 0.000 0.540 111 Q N 1.234 120.987 119.800 -0.078 0.000 2.967 111 Q HA 0.150 4.489 4.340 -0.000 0.000 0.201 111 Q C -2.010 173.976 176.000 -0.023 0.000 1.148 111 Q CA -0.753 55.026 55.803 -0.040 0.000 1.177 111 Q CB -0.495 28.224 28.738 -0.031 0.000 1.323 111 Q HN 0.304 nan 8.270 nan 0.000 0.676 112 P HA 0.151 nan 4.420 nan 0.000 0.276 112 P C -0.526 176.786 177.300 0.020 0.000 1.252 112 P CA -0.541 62.563 63.100 0.006 0.000 0.802 112 P CB 0.594 32.300 31.700 0.009 0.000 1.035 113 L N 0.953 122.190 121.223 0.024 0.000 2.485 113 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 113 L C 1.310 178.204 176.870 0.039 0.000 1.207 113 L CA 1.568 56.428 54.840 0.035 0.000 0.855 113 L CB -0.701 41.378 42.059 0.033 0.000 1.114 113 L HN 0.767 nan 8.230 nan 0.000 0.485 114 G N 1.610 110.440 108.800 0.049 0.000 2.550 114 G HA2 0.647 4.607 3.960 -0.000 0.000 0.293 114 G HA3 0.647 4.607 3.960 -0.000 0.000 0.293 114 G C -1.600 173.336 174.900 0.060 0.000 1.402 114 G CA 0.027 45.159 45.100 0.052 0.000 0.784 114 G HN 0.721 nan 8.290 nan 0.000 0.482 115 V N -2.748 117.202 119.914 0.060 0.000 3.040 115 V HA 1.062 5.181 4.120 -0.000 0.000 0.312 115 V C 0.038 176.171 176.094 0.066 0.000 1.115 115 V CA -0.312 62.031 62.300 0.072 0.000 0.998 115 V CB 1.676 33.542 31.823 0.071 0.000 1.042 115 V HN 2.023 nan 8.190 nan 0.000 0.433 116 G N 1.916 110.764 108.800 0.080 0.000 2.753 116 G HA2 0.624 4.584 3.960 -0.000 0.000 0.297 116 G HA3 0.624 4.584 3.960 -0.000 0.000 0.297 116 G C -1.350 173.574 174.900 0.041 0.000 1.430 116 G CA -0.918 44.223 45.100 0.068 0.000 1.040 116 G HN 0.917 nan 8.290 nan 0.000 0.530 117 L N 0.776 122.005 121.223 0.009 0.000 2.439 117 L HA 0.705 5.045 4.340 -0.000 0.000 0.259 117 L C 0.335 177.119 176.870 -0.142 0.000 1.129 117 L CA -0.705 54.081 54.840 -0.090 0.000 0.803 117 L CB 1.626 43.645 42.059 -0.066 0.000 1.161 117 L HN 0.466 nan 8.230 nan 0.000 0.462 118 S N -0.429 115.030 115.700 -0.402 0.000 2.536 118 S HA 0.842 5.312 4.470 -0.000 0.000 0.287 118 S C -0.147 174.190 174.600 -0.439 0.000 1.101 118 S CA -0.655 57.203 58.200 -0.570 0.000 0.950 118 S CB 2.108 64.875 63.200 -0.722 0.000 1.056 118 S HN 0.887 nan 8.310 nan 0.000 0.481 119 G N 0.616 109.153 108.800 -0.439 0.000 2.866 119 G HA2 0.675 4.635 3.960 -0.000 0.000 0.289 119 G HA3 0.675 4.635 3.960 -0.000 0.000 0.289 119 G C -2.030 172.792 174.900 -0.131 0.000 1.396 119 G CA -0.444 44.524 45.100 -0.221 0.000 0.848 119 G HN 0.660 nan 8.290 nan 0.000 0.515 120 H N -0.232 118.771 119.070 -0.110 0.000 3.042 120 H HA 0.364 4.919 4.556 -0.000 0.000 0.345 120 H C -2.279 172.981 175.328 -0.112 0.000 1.052 120 H CA -1.373 54.638 56.048 -0.060 0.000 1.311 120 H CB 2.900 32.690 29.762 0.046 0.000 1.810 120 H HN 0.136 nan 8.280 nan 0.000 0.505 121 P HA -0.052 nan 4.420 nan 0.000 0.218 121 P C -0.100 176.972 177.300 -0.380 0.000 1.148 121 P CA 1.386 64.241 63.100 -0.408 0.000 0.822 121 P CB 0.080 31.295 31.700 -0.808 0.000 0.784 122 F N -3.325 116.924 119.950 0.499 0.000 2.679 122 F HA 0.261 4.788 4.527 -0.000 0.000 0.354 122 F C 0.236 175.975 175.800 -0.101 0.000 1.423 122 F CA -1.243 56.845 58.000 0.147 0.000 1.141 122 F CB -0.265 38.796 39.000 0.101 0.000 1.168 122 F HN -0.213 nan 8.300 nan 0.000 0.530 123 Y N 2.257 122.498 120.300 -0.099 0.000 2.717 123 Y HA -0.055 4.495 4.550 -0.000 0.000 0.330 123 Y C 0.812 176.591 175.900 -0.203 0.000 1.217 123 Y CA -0.013 57.939 58.100 -0.247 0.000 1.506 123 Y CB 0.363 38.702 38.460 -0.203 0.000 1.268 123 Y HN 0.280 nan 8.280 nan 0.000 0.561 124 N N 6.491 124.920 118.700 -0.452 0.000 2.508 124 N HA 0.071 4.811 4.740 -0.000 0.000 0.253 124 N C -1.366 174.014 175.510 -0.216 0.000 1.145 124 N CA -0.049 52.829 53.050 -0.286 0.000 0.973 124 N CB -0.137 38.175 38.487 -0.293 0.000 1.305 124 N HN 0.599 nan 8.380 nan 0.000 0.506 125 K N 4.488 124.833 120.400 -0.093 0.000 2.604 125 K HA 0.130 4.450 4.320 -0.000 0.000 0.247 125 K C 0.220 176.757 176.600 -0.104 0.000 0.956 125 K CA -0.585 55.631 56.287 -0.120 0.000 0.896 125 K CB 1.121 33.405 32.500 -0.361 0.000 1.131 125 K HN 0.320 nan 8.250 nan 0.000 0.440 126 L N 3.871 125.076 121.223 -0.030 0.000 1.938 126 L HA 0.012 4.352 4.340 -0.000 0.000 0.212 126 L C -0.195 176.683 176.870 0.014 0.000 1.085 126 L CA 2.064 56.899 54.840 -0.008 0.000 0.760 126 L CB 0.019 42.083 42.059 0.009 0.000 0.888 126 L HN 0.853 nan 8.230 nan 0.000 0.433 127 D N -2.995 117.461 120.400 0.093 0.000 2.677 127 D HA 0.255 4.895 4.640 -0.000 0.000 0.298 127 D C -1.617 174.883 176.300 0.333 0.000 1.250 127 D CA -0.632 53.457 54.000 0.149 0.000 0.888 127 D CB 0.193 41.066 40.800 0.120 0.000 1.397 127 D HN 0.045 nan 8.370 nan 0.000 0.461 128 D N -1.023 119.581 120.400 0.340 0.000 2.339 128 D HA 0.358 4.997 4.640 -0.000 0.000 0.241 128 D C 0.353 176.834 176.300 0.302 0.000 1.183 128 D CA -0.314 53.943 54.000 0.428 0.000 0.859 128 D CB 0.787 41.781 40.800 0.324 0.000 1.067 128 D HN 0.408 nan 8.370 nan 0.000 0.484 129 T N 0.014 114.770 114.554 0.336 0.000 3.176 129 T HA 0.118 4.467 4.350 -0.000 0.000 0.263 129 T C 1.149 176.000 174.700 0.252 0.000 1.021 129 T CA -0.435 61.839 62.100 0.290 0.000 0.905 129 T CB 0.186 69.283 68.868 0.382 0.000 1.057 129 T HN 0.503 nan 8.240 nan 0.000 0.558 130 E N 2.256 122.583 120.200 0.212 0.000 2.060 130 E HA -0.045 4.305 4.350 -0.000 0.000 0.189 130 E C 0.694 177.337 176.600 0.071 0.000 0.974 130 E CA 1.157 57.639 56.400 0.137 0.000 0.808 130 E CB 0.288 29.849 29.700 -0.231 0.000 0.768 130 E HN 0.591 nan 8.360 nan 0.000 0.453 131 S N 0.100 115.831 115.700 0.052 0.000 2.565 131 S HA 0.070 4.540 4.470 -0.000 0.000 0.207 131 S C -0.412 174.206 174.600 0.030 0.000 0.769 131 S CA -0.232 57.980 58.200 0.020 0.000 0.945 131 S CB -0.560 62.621 63.200 -0.032 0.000 1.653 131 S HN 0.223 nan 8.310 nan 0.000 0.509 132 S N 1.275 117.024 115.700 0.081 0.000 2.573 132 S HA 0.069 4.539 4.470 -0.000 0.000 0.297 132 S C 1.043 175.700 174.600 0.095 0.000 1.280 132 S CA -0.109 58.156 58.200 0.108 0.000 1.061 132 S CB 0.121 63.397 63.200 0.127 0.000 0.812 132 S HN 0.491 nan 8.310 nan 0.000 0.500 133 H N 2.368 121.468 119.070 0.050 0.000 2.426 133 H HA -0.037 4.518 4.556 -0.000 0.000 0.298 133 H C 1.099 176.448 175.328 0.035 0.000 1.107 133 H CA 1.800 57.870 56.048 0.037 0.000 1.298 133 H CB -0.133 29.649 29.762 0.033 0.000 1.377 133 H HN 0.866 nan 8.280 nan 0.000 0.519 134 A N -0.915 122.013 122.820 0.181 0.000 5.519 134 A HA 0.608 4.928 4.320 -0.000 0.000 0.158 134 A C -0.181 177.458 177.584 0.092 0.000 0.860 134 A CA 0.121 52.227 52.037 0.115 0.000 1.134 134 A CB -0.507 18.555 19.000 0.103 0.000 2.248 134 A HN 0.348 nan 8.150 nan 0.000 1.056 135 A N -0.602 122.262 122.820 0.072 0.000 2.275 135 A HA 0.615 4.935 4.320 -0.000 0.000 0.276 135 A C 0.730 178.353 177.584 0.066 0.000 1.232 135 A CA 1.141 53.215 52.037 0.063 0.000 0.814 135 A CB -0.609 18.419 19.000 0.046 0.000 1.145 135 A HN 2.170 nan 8.150 nan 0.000 0.508 136 T N -2.960 111.628 114.554 0.056 0.000 2.778 136 T HA 0.603 4.953 4.350 -0.000 0.000 0.293 136 T C 0.178 174.901 174.700 0.038 0.000 1.144 136 T CA -0.022 62.112 62.100 0.056 0.000 1.010 136 T CB 0.397 69.305 68.868 0.068 0.000 1.325 136 T HN 1.607 nan 8.240 nan 0.000 0.515 137 S N 0.862 116.582 115.700 0.033 0.000 2.563 137 S HA 0.098 4.568 4.470 -0.000 0.000 0.269 137 S C 0.218 174.825 174.600 0.013 0.000 1.364 137 S CA -0.453 57.758 58.200 0.019 0.000 1.010 137 S CB -0.527 62.681 63.200 0.014 0.000 0.877 137 S HN 0.898 nan 8.310 nan 0.000 0.549 138 N N -0.189 118.514 118.700 0.006 0.000 2.488 138 N HA 0.179 4.919 4.740 -0.000 0.000 0.274 138 N C 0.074 175.582 175.510 -0.005 0.000 1.111 138 N CA -0.464 52.586 53.050 0.001 0.000 0.974 138 N CB 0.656 39.143 38.487 -0.000 0.000 1.089 138 N HN 0.481 nan 8.380 nan 0.000 0.465 139 V N 3.009 122.919 119.914 -0.008 0.000 3.394 139 V HA -0.063 4.057 4.120 -0.000 0.000 0.340 139 V C 1.674 177.757 176.094 -0.018 0.000 1.174 139 V CA 0.570 62.860 62.300 -0.016 0.000 1.368 139 V CB -2.093 29.718 31.823 -0.021 0.000 1.111 139 V HN 0.767 nan 8.190 nan 0.000 0.420 140 S N 0.746 116.437 115.700 -0.015 0.000 2.412 140 S HA -0.008 4.462 4.470 -0.000 0.000 0.199 140 S C 0.623 175.209 174.600 -0.023 0.000 1.099 140 S CA 0.711 58.902 58.200 -0.016 0.000 1.243 140 S CB 0.181 63.374 63.200 -0.013 0.000 0.996 140 S HN 0.670 nan 8.310 nan 0.000 0.402 141 E N -0.385 119.801 120.200 -0.024 0.000 2.429 141 E HA 0.302 4.652 4.350 -0.000 0.000 0.276 141 E C -1.716 174.863 176.600 -0.035 0.000 0.953 141 E CA -0.707 55.674 56.400 -0.031 0.000 0.787 141 E CB 1.410 31.091 29.700 -0.030 0.000 1.307 141 E HN 0.280 nan 8.360 nan 0.000 0.458 142 D N 1.680 122.050 120.400 -0.050 0.000 6.372 142 D HA -0.118 4.522 4.640 -0.000 0.000 0.176 142 D C -0.137 176.144 176.300 -0.030 0.000 1.233 142 D CA 0.757 54.724 54.000 -0.056 0.000 0.829 142 D CB -0.243 40.513 40.800 -0.073 0.000 1.370 142 D HN 0.221 nan 8.370 nan 0.000 0.761 143 V N 3.607 123.506 119.914 -0.026 0.000 3.043 143 V HA 0.138 4.258 4.120 -0.000 0.000 0.357 143 V C 1.255 177.343 176.094 -0.009 0.000 1.372 143 V CA -0.344 61.947 62.300 -0.014 0.000 1.214 143 V CB -0.271 31.541 31.823 -0.019 0.000 1.224 143 V HN 0.228 nan 8.190 nan 0.000 0.507 144 R N 1.493 121.999 120.500 0.010 0.000 2.594 144 R HA 0.396 4.736 4.340 -0.000 0.000 0.272 144 R C -0.688 175.660 176.300 0.080 0.000 1.074 144 R CA 0.137 56.262 56.100 0.041 0.000 1.105 144 R CB 0.539 30.892 30.300 0.088 0.000 1.008 144 R HN 0.353 nan 8.270 nan 0.000 0.472 145 D N 0.506 120.931 120.400 0.041 0.000 2.523 145 D HA 0.070 4.710 4.640 -0.000 0.000 0.236 145 D C -0.878 175.414 176.300 -0.013 0.000 1.094 145 D CA -0.702 53.297 54.000 -0.000 0.000 0.942 145 D CB 1.417 42.169 40.800 -0.079 0.000 1.447 145 D HN 0.344 nan 8.370 nan 0.000 0.479 146 N N 1.458 120.126 118.700 -0.053 0.000 2.402 146 N HA 0.198 4.938 4.740 -0.000 0.000 0.252 146 N C -0.847 174.593 175.510 -0.117 0.000 1.118 146 N CA -0.112 52.890 53.050 -0.081 0.000 0.945 146 N CB 0.424 38.852 38.487 -0.099 0.000 1.147 146 N HN 0.284 nan 8.380 nan 0.000 0.495 147 V N 1.248 121.070 119.914 -0.153 0.000 2.914 147 V HA 0.830 4.950 4.120 -0.000 0.000 0.314 147 V C 0.001 175.963 176.094 -0.219 0.000 1.084 147 V CA -0.770 61.374 62.300 -0.261 0.000 0.963 147 V CB 1.495 32.992 31.823 -0.544 0.000 1.025 147 V HN 0.634 nan 8.190 nan 0.000 0.432 148 S N 2.522 118.114 115.700 -0.180 0.000 2.751 148 S HA 0.963 5.433 4.470 -0.000 0.000 0.310 148 S C -0.612 173.895 174.600 -0.155 0.000 1.128 148 S CA -0.322 57.778 58.200 -0.166 0.000 0.931 148 S CB 1.749 64.877 63.200 -0.120 0.000 1.177 148 S HN 2.325 nan 8.310 nan 0.000 0.530 149 V N 1.050 120.844 119.914 -0.200 0.000 3.036 149 V HA 0.379 4.499 4.120 -0.000 0.000 0.280 149 V C -2.255 173.664 176.094 -0.291 0.000 1.497 149 V CA -0.725 61.473 62.300 -0.170 0.000 0.982 149 V CB 2.100 33.885 31.823 -0.063 0.000 1.171 149 V HN 1.197 nan 8.190 nan 0.000 0.444 150 D N 5.258 125.552 120.400 -0.176 0.000 2.277 150 D HA 0.291 4.931 4.640 -0.000 0.000 0.249 150 D C -0.086 176.142 176.300 -0.120 0.000 1.134 150 D CA -0.077 53.822 54.000 -0.167 0.000 0.863 150 D CB 0.762 41.548 40.800 -0.024 0.000 1.143 150 D HN 0.582 nan 8.370 nan 0.000 0.458 151 Y N 0.457 120.675 120.300 -0.138 0.000 2.279 151 Y HA -0.029 4.521 4.550 -0.000 0.000 0.350 151 Y C 1.700 177.597 175.900 -0.005 0.000 1.288 151 Y CA -0.783 57.212 58.100 -0.176 0.000 1.547 151 Y CB 0.705 38.805 38.460 -0.599 0.000 1.381 151 Y HN 0.309 nan 8.280 nan 0.000 0.630 152 K N 1.624 122.146 120.400 0.203 0.000 2.414 152 K HA -0.056 4.264 4.320 -0.000 0.000 0.272 152 K C -0.568 176.183 176.600 0.251 0.000 0.993 152 K CA -0.316 56.059 56.287 0.146 0.000 0.964 152 K CB 0.493 33.041 32.500 0.080 0.000 0.925 152 K HN 0.657 nan 8.250 nan 0.000 0.487 153 Q N 2.235 122.150 119.800 0.193 0.000 2.257 153 Q HA 0.226 4.566 4.340 -0.000 0.000 0.255 153 Q C -1.395 174.698 176.000 0.155 0.000 0.920 153 Q CA -0.415 55.504 55.803 0.193 0.000 0.927 153 Q CB 1.436 30.261 28.738 0.145 0.000 1.229 153 Q HN 0.718 nan 8.270 nan 0.000 0.433 154 T N 3.745 118.389 114.554 0.150 0.000 2.933 154 T HA 0.406 4.756 4.350 -0.000 0.000 0.305 154 T C -1.287 173.479 174.700 0.109 0.000 1.092 154 T CA -0.808 61.370 62.100 0.130 0.000 1.008 154 T CB 1.651 70.612 68.868 0.155 0.000 1.102 154 T HN 0.591 nan 8.240 nan 0.000 0.469 155 Q N 2.049 121.900 119.800 0.085 0.000 2.305 155 Q HA 0.746 5.086 4.340 -0.000 0.000 0.271 155 Q C -1.366 174.683 176.000 0.081 0.000 1.046 155 Q CA -1.085 54.767 55.803 0.083 0.000 0.798 155 Q CB 2.786 31.448 28.738 -0.126 0.000 1.286 155 Q HN 0.676 nan 8.270 nan 0.000 0.435 156 L N -1.054 120.294 121.223 0.209 0.000 2.518 156 L HA 0.944 5.284 4.340 -0.000 0.000 0.257 156 L C -1.419 175.638 176.870 0.312 0.000 0.980 156 L CA -0.753 54.201 54.840 0.190 0.000 0.837 156 L CB 2.138 44.323 42.059 0.210 0.000 1.410 156 L HN 0.770 nan 8.230 nan 0.000 0.410 157 C N 3.044 122.491 119.300 0.246 0.000 2.782 157 C HA 0.873 5.333 4.460 -0.000 0.000 0.328 157 C C -1.069 174.055 174.990 0.222 0.000 1.145 157 C CA -0.354 58.851 59.018 0.312 0.000 1.358 157 C CB 0.665 28.688 27.740 0.472 0.000 1.841 157 C HN 0.894 nan 8.230 nan 0.000 0.477 158 I N 5.144 125.856 120.570 0.236 0.000 2.647 158 I HA 0.551 4.720 4.170 -0.000 0.000 0.295 158 I C -0.775 175.494 176.117 0.252 0.000 1.078 158 I CA -0.712 60.710 61.300 0.203 0.000 1.048 158 I CB 1.897 39.956 38.000 0.098 0.000 1.239 158 I HN 0.519 nan 8.210 nan 0.000 0.421 159 L N 3.591 124.993 121.223 0.298 0.000 2.370 159 L HA 0.917 5.257 4.340 -0.000 0.000 0.266 159 L C 0.011 176.777 176.870 -0.173 0.000 1.002 159 L CA -0.412 54.570 54.840 0.236 0.000 0.818 159 L CB 2.226 44.571 42.059 0.477 0.000 1.325 159 L HN 0.860 nan 8.230 nan 0.000 0.418 160 G N -0.318 108.282 108.800 -0.334 0.000 2.495 160 G HA2 0.323 4.283 3.960 -0.000 0.000 0.294 160 G HA3 0.323 4.283 3.960 -0.000 0.000 0.294 160 G C -0.701 174.020 174.900 -0.298 0.000 1.397 160 G CA -0.074 44.466 45.100 -0.934 0.000 0.790 160 G HN 0.741 nan 8.290 nan 0.000 0.486 161 C N -0.758 118.434 119.300 -0.180 0.000 2.647 161 C HA 0.833 5.293 4.460 -0.000 0.000 0.296 161 C C 0.733 175.844 174.990 0.201 0.000 1.403 161 C CA 0.061 59.183 59.018 0.174 0.000 1.781 161 C CB -1.397 26.504 27.740 0.268 0.000 2.464 161 C HN 1.639 nan 8.230 nan 0.000 0.559 162 A N 1.323 124.111 122.820 -0.054 0.000 2.572 162 A HA 0.928 5.248 4.320 -0.000 0.000 0.295 162 A C -2.957 174.037 177.584 -0.985 0.000 1.072 162 A CA -1.176 50.598 52.037 -0.438 0.000 0.691 162 A CB 1.156 20.044 19.000 -0.187 0.000 1.291 162 A HN 0.207 nan 8.150 nan 0.000 0.404 163 P HA 0.394 nan 4.420 nan 0.000 0.271 163 P C -0.051 176.934 177.300 -0.524 0.000 1.244 163 P CA 0.222 62.610 63.100 -1.187 0.000 0.793 163 P CB 0.821 31.872 31.700 -1.081 0.000 0.984 164 A N 0.864 123.487 122.820 -0.329 0.000 2.269 164 A HA 0.618 4.937 4.320 -0.000 0.000 0.319 164 A C -0.231 177.215 177.584 -0.231 0.000 1.110 164 A CA -0.547 51.345 52.037 -0.242 0.000 0.847 164 A CB 0.067 18.947 19.000 -0.200 0.000 1.161 164 A HN 0.411 nan 8.150 nan 0.000 0.497 165 I N 0.073 120.514 120.570 -0.215 0.000 2.493 165 I HA 0.571 4.741 4.170 -0.000 0.000 0.298 165 I C 0.828 176.813 176.117 -0.221 0.000 0.998 165 I CA 0.357 61.541 61.300 -0.193 0.000 1.137 165 I CB 1.992 39.904 38.000 -0.148 0.000 1.310 165 I HN 0.735 nan 8.210 nan 0.000 0.445 166 G N 3.669 112.354 108.800 -0.193 0.000 2.644 166 G HA2 0.794 4.754 3.960 -0.000 0.000 0.307 166 G HA3 0.794 4.754 3.960 -0.000 0.000 0.307 166 G C -1.362 173.486 174.900 -0.087 0.000 1.250 166 G CA -0.440 44.555 45.100 -0.175 0.000 0.996 166 G HN 0.624 nan 8.290 nan 0.000 0.489 167 E N -1.012 119.173 120.200 -0.025 0.000 2.393 167 E HA 0.665 5.015 4.350 -0.000 0.000 0.273 167 E C -1.334 175.293 176.600 0.045 0.000 0.918 167 E CA -1.033 55.334 56.400 -0.055 0.000 0.773 167 E CB 2.462 32.102 29.700 -0.101 0.000 1.275 167 E HN 0.802 nan 8.360 nan 0.000 0.451 168 H N -0.251 118.669 119.070 -0.251 0.000 2.987 168 H HA 0.226 4.782 4.556 -0.000 0.000 0.316 168 H C -1.961 173.099 175.328 -0.448 0.000 1.380 168 H CA -1.149 54.761 56.048 -0.229 0.000 1.160 168 H CB 0.156 29.884 29.762 -0.058 0.000 1.865 168 H HN 0.639 nan 8.280 nan 0.000 0.521 169 W N 1.363 122.652 121.300 -0.018 0.000 2.351 169 W HA 0.685 5.345 4.660 -0.000 0.000 0.311 169 W C 0.087 176.565 176.519 -0.069 0.000 1.168 169 W CA 0.119 57.405 57.345 -0.099 0.000 1.200 169 W CB 1.628 31.055 29.460 -0.055 0.000 1.221 169 W HN 0.819 nan 8.180 nan 0.000 0.519 170 A N 2.891 125.713 122.820 0.003 0.000 2.437 170 A HA 0.620 4.940 4.320 -0.000 0.000 0.292 170 A C -0.969 176.654 177.584 0.065 0.000 1.173 170 A CA -1.128 50.936 52.037 0.044 0.000 0.785 170 A CB 1.402 20.378 19.000 -0.039 0.000 1.351 170 A HN 0.546 nan 8.150 nan 0.000 0.431 171 K N 1.150 121.582 120.400 0.053 0.000 2.349 171 K HA 0.351 4.671 4.320 -0.000 0.000 0.289 171 K C 0.571 177.189 176.600 0.031 0.000 1.064 171 K CA 0.155 56.468 56.287 0.043 0.000 0.947 171 K CB 0.090 32.609 32.500 0.033 0.000 1.007 171 K HN 0.875 nan 8.250 nan 0.000 0.478 172 G N 2.903 111.724 108.800 0.036 0.000 2.647 172 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.234 172 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.234 172 G C -0.440 174.468 174.900 0.014 0.000 1.252 172 G CA -0.438 44.677 45.100 0.024 0.000 0.846 172 G HN 0.684 nan 8.290 nan 0.000 0.589 173 T N 0.945 115.503 114.554 0.007 0.000 2.834 173 T HA 0.430 4.780 4.350 -0.000 0.000 0.298 173 T C 0.804 175.507 174.700 0.006 0.000 0.966 173 T CA 0.238 62.340 62.100 0.004 0.000 1.141 173 T CB 1.108 69.976 68.868 -0.000 0.000 0.905 173 T HN 0.867 nan 8.240 nan 0.000 0.535 174 A N 4.111 126.934 122.820 0.005 0.000 2.522 174 A HA 0.431 4.750 4.320 -0.000 0.000 0.256 174 A C 0.971 178.557 177.584 0.003 0.000 1.086 174 A CA -0.715 51.325 52.037 0.004 0.000 0.763 174 A CB -0.218 18.785 19.000 0.004 0.000 1.024 174 A HN 0.941 nan 8.150 nan 0.000 0.502 175 S N 2.441 118.143 115.700 0.003 0.000 2.549 175 S HA 0.204 4.674 4.470 -0.000 0.000 0.279 175 S C 0.938 175.538 174.600 0.001 0.000 1.321 175 S CA -0.021 58.180 58.200 0.002 0.000 1.054 175 S CB 1.033 64.234 63.200 0.002 0.000 0.899 175 S HN 0.788 nan 8.310 nan 0.000 0.497 176 K N 2.251 122.651 120.400 0.000 0.000 2.025 176 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 176 K C 2.242 178.842 176.600 -0.000 0.000 1.049 176 K CA 1.453 57.740 56.287 -0.000 0.000 0.933 176 K CB -0.873 31.626 32.500 -0.001 0.000 0.714 176 K HN 0.709 nan 8.250 nan 0.000 0.438 177 S N 0.581 116.281 115.700 -0.000 0.000 2.374 177 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 177 S C 1.357 175.957 174.600 0.000 0.000 1.037 177 S CA 0.693 58.892 58.200 -0.000 0.000 1.024 177 S CB -0.197 63.003 63.200 0.000 0.000 0.861 177 S HN 0.205 nan 8.310 nan 0.000 0.456 178 R N 2.403 122.903 120.500 0.000 0.000 2.547 178 R HA 0.454 4.793 4.340 -0.000 0.000 0.280 178 R C -3.019 173.281 176.300 0.000 0.000 1.630 178 R CA -2.339 53.761 56.100 0.000 0.000 1.470 178 R CB 1.003 31.304 30.300 0.001 0.000 1.178 178 R HN 0.378 nan 8.270 nan 0.000 0.591 179 P HA 0.077 nan 4.420 nan 0.000 0.272 179 P C -0.598 176.702 177.300 -0.000 0.000 1.240 179 P CA -0.607 62.493 63.100 -0.000 0.000 0.791 179 P CB 1.134 32.834 31.700 -0.001 0.000 0.978 180 L N 1.700 122.923 121.223 -0.000 0.000 2.298 180 L HA 0.272 4.612 4.340 -0.000 0.000 0.284 180 L C 0.202 177.071 176.870 -0.002 0.000 1.013 180 L CA -0.168 54.671 54.840 -0.001 0.000 0.824 180 L CB 0.812 42.871 42.059 0.000 0.000 1.221 180 L HN 0.425 nan 8.230 nan 0.000 0.418 181 S N 2.740 118.438 115.700 -0.003 0.000 2.576 181 S HA 0.330 4.800 4.470 -0.000 0.000 0.276 181 S C 0.017 174.614 174.600 -0.004 0.000 1.339 181 S CA -0.644 57.553 58.200 -0.003 0.000 1.039 181 S CB 0.864 64.062 63.200 -0.004 0.000 0.902 181 S HN 0.607 nan 8.310 nan 0.000 0.516 182 Q N 0.835 120.632 119.800 -0.005 0.000 2.255 182 Q HA 0.428 4.768 4.340 -0.000 0.000 0.280 182 Q C 1.161 177.156 176.000 -0.008 0.000 1.068 182 Q CA 1.553 57.352 55.803 -0.006 0.000 0.911 182 Q CB -0.096 28.638 28.738 -0.006 0.000 1.157 182 Q HN 1.261 nan 8.270 nan 0.000 0.380 183 G N 3.377 112.172 108.800 -0.008 0.000 2.253 183 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.209 183 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.209 183 G C -0.280 174.614 174.900 -0.011 0.000 0.997 183 G CA -0.149 44.945 45.100 -0.011 0.000 0.640 183 G HN 0.619 nan 8.290 nan 0.000 0.496 184 D N 0.249 120.643 120.400 -0.009 0.000 2.362 184 D HA 0.450 5.089 4.640 -0.000 0.000 0.242 184 D C 0.844 177.139 176.300 -0.009 0.000 1.132 184 D CA 0.038 54.033 54.000 -0.009 0.000 0.907 184 D CB 1.175 41.971 40.800 -0.006 0.000 1.195 184 D HN 0.392 nan 8.370 nan 0.000 0.429 185 C N 4.049 123.342 119.300 -0.011 0.000 2.629 185 C HA 0.331 4.791 4.460 -0.000 0.000 0.410 185 C C -1.775 173.210 174.990 -0.008 0.000 1.339 185 C CA -1.283 57.727 59.018 -0.012 0.000 1.810 185 C CB -0.745 26.985 27.740 -0.018 0.000 2.549 185 C HN 0.468 nan 8.230 nan 0.000 0.589 186 P HA 0.365 nan 4.420 nan 0.000 0.274 186 P C -2.756 174.547 177.300 0.006 0.000 1.256 186 P CA -0.920 62.182 63.100 0.004 0.000 0.795 186 P CB 0.093 31.798 31.700 0.009 0.000 1.038 187 P HA 0.257 nan 4.420 nan 0.000 0.292 187 P C -0.662 176.670 177.300 0.053 0.000 1.283 187 P CA -0.373 62.741 63.100 0.024 0.000 0.835 187 P CB 0.895 32.610 31.700 0.025 0.000 1.017 188 L N 1.878 123.146 121.223 0.076 0.000 2.375 188 L HA 0.438 4.778 4.340 -0.000 0.000 0.271 188 L C 0.799 177.830 176.870 0.268 0.000 1.107 188 L CA 0.067 55.014 54.840 0.180 0.000 0.806 188 L CB 0.184 42.335 42.059 0.154 0.000 1.146 188 L HN 0.585 nan 8.230 nan 0.000 0.447 189 E N 1.554 121.908 120.200 0.257 0.000 2.272 189 E HA 0.338 4.688 4.350 -0.000 0.000 0.269 189 E C -1.502 174.998 176.600 -0.166 0.000 0.877 189 E CA -0.917 55.543 56.400 0.101 0.000 0.755 189 E CB 2.544 32.241 29.700 -0.004 0.000 1.192 189 E HN 0.349 nan 8.360 nan 0.000 0.422 190 L N 4.110 125.055 121.223 -0.463 0.000 2.319 190 L HA 0.327 4.667 4.340 -0.000 0.000 0.280 190 L C -0.796 175.744 176.870 -0.550 0.000 1.099 190 L CA 0.374 54.663 54.840 -0.918 0.000 0.828 190 L CB 0.422 41.906 42.059 -0.959 0.000 1.150 190 L HN 0.402 nan 8.230 nan 0.000 0.442 191 K N 3.998 124.021 120.400 -0.627 0.000 2.292 191 K HA 0.400 4.719 4.320 -0.000 0.000 0.257 191 K C -0.895 175.515 176.600 -0.316 0.000 0.940 191 K CA -0.963 55.060 56.287 -0.440 0.000 0.811 191 K CB 1.428 33.641 32.500 -0.478 0.000 1.120 191 K HN 0.536 nan 8.250 nan 0.000 0.428 192 N N 1.116 119.702 118.700 -0.189 0.000 2.509 192 N HA 0.316 5.056 4.740 -0.000 0.000 0.287 192 N C -0.612 174.853 175.510 -0.074 0.000 1.121 192 N CA 0.176 53.152 53.050 -0.125 0.000 0.977 192 N CB 1.784 40.207 38.487 -0.107 0.000 1.167 192 N HN 0.580 nan 8.380 nan 0.000 0.476 193 T N -0.639 113.882 114.554 -0.056 0.000 2.886 193 T HA 0.301 4.651 4.350 -0.000 0.000 0.330 193 T C -1.245 173.406 174.700 -0.083 0.000 1.488 193 T CA -0.631 61.446 62.100 -0.039 0.000 1.054 193 T CB 0.482 69.362 68.868 0.021 0.000 1.348 193 T HN 0.022 nan 8.240 nan 0.000 0.489 194 V N 4.495 124.358 119.914 -0.086 0.000 2.614 194 V HA 0.374 4.493 4.120 -0.000 0.000 0.291 194 V C 0.384 176.391 176.094 -0.145 0.000 1.049 194 V CA -0.413 61.817 62.300 -0.116 0.000 1.038 194 V CB 0.917 32.691 31.823 -0.082 0.000 0.980 194 V HN 0.730 nan 8.190 nan 0.000 0.481 195 L N 5.435 126.547 121.223 -0.186 0.000 2.261 195 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 195 L C 0.383 177.191 176.870 -0.104 0.000 1.059 195 L CA 0.092 54.768 54.840 -0.274 0.000 0.816 195 L CB 0.481 42.262 42.059 -0.463 0.000 1.191 195 L HN 0.697 nan 8.230 nan 0.000 0.431 196 E N 1.512 121.653 120.200 -0.099 0.000 2.222 196 E HA 0.153 4.503 4.350 -0.000 0.000 0.272 196 E C -0.889 175.719 176.600 0.013 0.000 0.982 196 E CA -0.955 55.411 56.400 -0.056 0.000 0.842 196 E CB 1.557 31.138 29.700 -0.199 0.000 1.144 196 E HN 0.415 nan 8.360 nan 0.000 0.397 197 D N 0.143 120.594 120.400 0.085 0.000 2.586 197 D HA 0.075 4.714 4.640 -0.000 0.000 0.234 197 D C 0.838 177.175 176.300 0.062 0.000 1.132 197 D CA 2.065 56.114 54.000 0.083 0.000 0.860 197 D CB 0.144 41.004 40.800 0.100 0.000 1.159 197 D HN 0.609 nan 8.370 nan 0.000 0.490 198 G N 3.201 112.066 108.800 0.109 0.000 2.218 198 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 198 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 198 G C 0.051 175.032 174.900 0.134 0.000 0.994 198 G CA -0.048 45.118 45.100 0.109 0.000 0.637 198 G HN 0.611 nan 8.290 nan 0.000 0.505 199 D N 1.380 121.869 120.400 0.148 0.000 2.339 199 D HA 0.493 5.133 4.640 -0.000 0.000 0.245 199 D C 1.181 177.666 176.300 0.308 0.000 1.115 199 D CA 0.073 54.164 54.000 0.151 0.000 0.917 199 D CB 0.573 41.397 40.800 0.040 0.000 1.192 199 D HN 0.043 nan 8.370 nan 0.000 0.428 200 M N 0.780 120.532 119.600 0.253 0.000 2.247 200 M HA 0.213 4.693 4.480 -0.000 0.000 0.326 200 M C 0.243 176.769 176.300 0.377 0.000 1.134 200 M CA -0.820 54.644 55.300 0.274 0.000 1.136 200 M CB 0.916 33.627 32.600 0.185 0.000 1.454 200 M HN 0.143 nan 8.290 nan 0.000 0.467 201 V N -1.249 118.806 119.914 0.234 0.000 3.109 201 V HA 0.470 4.590 4.120 -0.000 0.000 0.317 201 V C -0.151 176.056 176.094 0.188 0.000 1.074 201 V CA -1.194 61.223 62.300 0.195 0.000 1.033 201 V CB 1.177 32.983 31.823 -0.029 0.000 1.111 201 V HN 0.803 nan 8.190 nan 0.000 0.458 202 D N 1.515 122.047 120.400 0.221 0.000 2.450 202 D HA 0.149 4.789 4.640 -0.000 0.000 0.247 202 D C 1.148 177.478 176.300 0.050 0.000 1.162 202 D CA 0.889 54.980 54.000 0.151 0.000 0.879 202 D CB 1.291 42.157 40.800 0.111 0.000 1.163 202 D HN 0.973 nan 8.370 nan 0.000 0.472 203 T N 0.477 114.977 114.554 -0.091 0.000 3.054 203 T HA 0.413 4.763 4.350 -0.000 0.000 0.255 203 T C 1.268 175.869 174.700 -0.165 0.000 1.035 203 T CA 0.237 62.136 62.100 -0.336 0.000 0.941 203 T CB 0.387 68.451 68.868 -1.340 0.000 1.026 203 T HN 0.605 nan 8.240 nan 0.000 0.533 204 G N 0.466 109.239 108.800 -0.046 0.000 2.318 204 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.172 204 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.172 204 G C 0.189 174.991 174.900 -0.164 0.000 1.002 204 G CA -0.258 44.775 45.100 -0.111 0.000 0.697 204 G HN 0.466 nan 8.290 nan 0.000 0.483 205 Y N 1.482 121.812 120.300 0.051 0.000 2.555 205 Y HA 0.487 5.037 4.550 -0.000 0.000 0.259 205 Y C 1.463 177.503 175.900 0.233 0.000 1.179 205 Y CA 0.569 58.766 58.100 0.162 0.000 1.230 205 Y CB 0.985 39.563 38.460 0.197 0.000 1.146 205 Y HN 1.004 nan 8.280 nan 0.000 0.526 206 G N 0.582 109.539 108.800 0.262 0.000 2.675 206 G HA2 0.125 4.085 3.960 -0.000 0.000 0.686 206 G HA3 0.125 4.085 3.960 -0.000 0.000 0.686 206 G C -0.717 174.334 174.900 0.251 0.000 1.215 206 G CA -0.758 44.461 45.100 0.198 0.000 0.777 206 G HN 0.489 nan 8.290 nan 0.000 0.638 207 A N 1.830 124.791 122.820 0.235 0.000 2.506 207 A HA 0.776 5.096 4.320 -0.000 0.000 0.320 207 A C 0.652 178.390 177.584 0.256 0.000 1.424 207 A CA 0.972 53.170 52.037 0.269 0.000 1.044 207 A CB -0.600 18.578 19.000 0.298 0.000 1.140 207 A HN 1.969 nan 8.150 nan 0.000 0.538 208 M N -0.116 119.517 119.600 0.056 0.000 3.223 208 M HA 0.598 5.078 4.480 -0.000 0.000 0.282 208 M C -1.500 174.687 176.300 -0.189 0.000 1.346 208 M CA -0.867 54.414 55.300 -0.030 0.000 0.789 208 M CB 1.350 33.820 32.600 -0.217 0.000 1.724 208 M HN 0.186 nan 8.290 nan 0.000 0.447 209 D N 0.497 120.839 120.400 -0.096 0.000 2.505 209 D HA 0.386 5.025 4.640 -0.000 0.000 0.242 209 D C -0.115 176.149 176.300 -0.060 0.000 1.136 209 D CA -0.337 53.650 54.000 -0.022 0.000 0.954 209 D CB -0.033 40.830 40.800 0.105 0.000 1.002 209 D HN 0.540 nan 8.370 nan 0.000 0.512 210 F N 0.961 120.944 119.950 0.054 0.000 2.216 210 F HA -0.178 4.348 4.527 -0.000 0.000 0.300 210 F C 2.733 178.545 175.800 0.020 0.000 1.085 210 F CA 1.002 59.019 58.000 0.029 0.000 1.326 210 F CB -0.401 38.599 39.000 0.001 0.000 1.027 210 F HN 0.328 nan 8.300 nan 0.000 0.497 211 S N -0.824 114.995 115.700 0.199 0.000 2.399 211 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 211 S C 1.883 176.529 174.600 0.076 0.000 1.022 211 S CA 1.589 59.858 58.200 0.116 0.000 0.983 211 S CB -1.168 62.087 63.200 0.091 0.000 0.803 211 S HN 0.505 nan 8.310 nan 0.000 0.480 212 T N -2.369 112.225 114.554 0.066 0.000 3.001 212 T HA 0.371 4.720 4.350 -0.000 0.000 0.251 212 T C 1.272 175.991 174.700 0.033 0.000 1.040 212 T CA -0.176 61.952 62.100 0.046 0.000 0.985 212 T CB -0.047 68.850 68.868 0.047 0.000 1.011 212 T HN 0.220 nan 8.240 nan 0.000 0.509 213 L N 0.602 121.840 121.223 0.025 0.000 2.556 213 L HA 0.477 4.817 4.340 -0.000 0.000 0.226 213 L C 0.520 177.399 176.870 0.015 0.000 1.089 213 L CA 0.762 55.606 54.840 0.006 0.000 0.864 213 L CB -0.029 42.010 42.059 -0.033 0.000 1.067 213 L HN 0.356 nan 8.230 nan 0.000 0.477 214 Q N -0.591 119.234 119.800 0.043 0.000 2.464 214 Q HA 0.154 4.493 4.340 -0.000 0.000 0.256 214 Q C -0.116 175.899 176.000 0.026 0.000 1.020 214 Q CA -0.354 55.472 55.803 0.039 0.000 0.716 214 Q CB 1.377 30.162 28.738 0.078 0.000 1.230 214 Q HN -0.008 nan 8.270 nan 0.000 0.494 215 D N 0.694 121.098 120.400 0.007 0.000 2.149 215 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 215 D C 1.394 177.687 176.300 -0.010 0.000 0.990 215 D CA 1.630 55.630 54.000 -0.000 0.000 0.839 215 D CB 0.176 40.971 40.800 -0.008 0.000 0.948 215 D HN 0.453 nan 8.370 nan 0.000 0.460 216 T N 0.507 115.043 114.554 -0.030 0.000 2.685 216 T HA -0.244 4.105 4.350 -0.000 0.000 0.268 216 T C 1.023 175.699 174.700 -0.039 0.000 1.034 216 T CA 1.802 63.871 62.100 -0.053 0.000 1.149 216 T CB -0.202 68.610 68.868 -0.092 0.000 0.860 216 T HN 0.284 nan 8.240 nan 0.000 0.449 217 K N -1.407 118.981 120.400 -0.020 0.000 3.281 217 K HA -0.155 4.164 4.320 -0.000 0.000 0.295 217 K C -0.086 176.503 176.600 -0.019 0.000 1.233 217 K CA 0.580 56.883 56.287 0.027 0.000 0.866 217 K CB -2.298 30.245 32.500 0.072 0.000 1.265 217 K HN 0.487 nan 8.250 nan 0.000 0.482 218 C N -0.113 119.057 119.300 -0.218 0.000 3.543 218 C HA 0.146 4.606 4.460 -0.000 0.000 0.281 218 C C 1.282 175.920 174.990 -0.587 0.000 2.362 218 C CA -0.759 57.905 59.018 -0.591 0.000 1.649 218 C CB 0.124 27.583 27.740 -0.468 0.000 3.429 218 C HN 0.296 nan 8.230 nan 0.000 0.407 219 E N 1.444 121.394 120.200 -0.417 0.000 2.385 219 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 219 E C 0.780 177.016 176.600 -0.607 0.000 1.013 219 E CA 0.858 56.975 56.400 -0.472 0.000 0.866 219 E CB 0.520 30.101 29.700 -0.197 0.000 0.832 219 E HN 0.661 nan 8.360 nan 0.000 0.500 220 V N -2.690 116.926 119.914 -0.497 0.000 3.206 220 V HA 0.521 4.641 4.120 -0.000 0.000 0.305 220 V C -2.967 173.034 176.094 -0.155 0.000 1.257 220 V CA -3.061 58.935 62.300 -0.507 0.000 1.057 220 V CB 1.620 32.928 31.823 -0.859 0.000 1.075 220 V HN -0.296 nan 8.190 nan 0.000 0.443 221 P HA 0.178 nan 4.420 nan 0.000 0.268 221 P C 0.831 178.135 177.300 0.007 0.000 1.208 221 P CA -0.092 63.038 63.100 0.050 0.000 0.777 221 P CB 0.431 32.135 31.700 0.008 0.000 0.875 222 L N 2.544 123.755 121.223 -0.019 0.000 2.064 222 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 222 L C 1.741 178.623 176.870 0.021 0.000 1.077 222 L CA 2.238 57.052 54.840 -0.043 0.000 0.766 222 L CB -1.466 40.526 42.059 -0.111 0.000 0.890 222 L HN 0.501 nan 8.230 nan 0.000 0.435 223 D N -1.244 119.148 120.400 -0.014 0.000 2.378 223 D HA -0.167 4.473 4.640 -0.000 0.000 0.222 223 D C 1.509 177.848 176.300 0.066 0.000 0.980 223 D CA 1.399 55.459 54.000 0.100 0.000 0.907 223 D CB -0.366 40.542 40.800 0.179 0.000 0.899 223 D HN 0.635 nan 8.370 nan 0.000 0.527 224 I N -3.584 116.961 120.570 -0.042 0.000 4.541 224 I HA 0.270 4.440 4.170 -0.000 0.000 0.337 224 I C 1.852 177.837 176.117 -0.219 0.000 1.338 224 I CA -0.681 60.534 61.300 -0.141 0.000 1.244 224 I CB 0.041 37.829 38.000 -0.353 0.000 1.417 224 I HN 0.014 nan 8.210 nan 0.000 0.501 225 C N 1.586 120.803 119.300 -0.139 0.000 2.403 225 C HA -0.086 4.373 4.460 -0.000 0.000 0.277 225 C C 1.806 176.815 174.990 0.032 0.000 1.248 225 C CA 1.384 60.351 59.018 -0.086 0.000 1.762 225 C CB -0.676 27.093 27.740 0.049 0.000 2.014 225 C HN 0.618 nan 8.230 nan 0.000 0.486 226 Q N 1.161 120.998 119.800 0.062 0.000 2.263 226 Q HA 0.372 4.712 4.340 -0.000 0.000 0.337 226 Q C -0.315 175.747 176.000 0.103 0.000 0.906 226 Q CA 0.111 55.969 55.803 0.092 0.000 1.124 226 Q CB 0.963 29.745 28.738 0.074 0.000 1.255 226 Q HN 0.727 nan 8.270 nan 0.000 0.435 227 S N -0.350 115.433 115.700 0.137 0.000 2.720 227 S HA 0.643 5.113 4.470 -0.000 0.000 0.287 227 S C -0.333 174.382 174.600 0.190 0.000 1.168 227 S CA -0.653 57.624 58.200 0.130 0.000 0.832 227 S CB 1.702 64.966 63.200 0.107 0.000 1.166 227 S HN 0.192 nan 8.310 nan 0.000 0.493 228 I N 1.049 121.683 120.570 0.106 0.000 2.406 228 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 228 I C -0.980 175.185 176.117 0.080 0.000 0.999 228 I CA -0.467 60.856 61.300 0.039 0.000 1.124 228 I CB 1.348 39.224 38.000 -0.208 0.000 1.289 228 I HN 0.497 nan 8.210 nan 0.000 0.441 229 C N 6.618 126.036 119.300 0.198 0.000 2.265 229 C HA 0.357 4.817 4.460 -0.000 0.000 0.332 229 C C 0.517 175.628 174.990 0.202 0.000 1.248 229 C CA -0.686 58.483 59.018 0.252 0.000 1.727 229 C CB -0.350 27.620 27.740 0.384 0.000 2.348 229 C HN 0.664 nan 8.230 nan 0.000 0.519 230 K N 2.127 122.670 120.400 0.239 0.000 2.166 230 K HA 0.553 4.873 4.320 -0.000 0.000 0.245 230 K C -1.237 175.609 176.600 0.409 0.000 0.967 230 K CA -0.588 55.822 56.287 0.205 0.000 0.863 230 K CB 1.992 34.488 32.500 -0.006 0.000 1.107 230 K HN 0.622 nan 8.250 nan 0.000 0.436 231 Y N 1.459 121.865 120.300 0.176 0.000 2.442 231 Y HA 0.305 4.855 4.550 -0.000 0.000 0.344 231 Y C -2.707 173.229 175.900 0.059 0.000 0.976 231 Y CA -2.623 55.603 58.100 0.210 0.000 1.040 231 Y CB 1.681 40.261 38.460 0.199 0.000 1.228 231 Y HN 0.398 nan 8.280 nan 0.000 0.451 232 P HA -0.020 nan 4.420 nan 0.000 0.265 232 P C -0.697 176.196 177.300 -0.677 0.000 1.187 232 P CA 0.382 63.058 63.100 -0.706 0.000 0.766 232 P CB 0.559 31.549 31.700 -1.184 0.000 0.820 233 D N 2.261 122.421 120.400 -0.400 0.000 2.631 233 D HA 0.055 4.695 4.640 -0.000 0.000 0.227 233 D C 0.639 176.847 176.300 -0.152 0.000 1.146 233 D CA -0.185 53.703 54.000 -0.186 0.000 1.009 233 D CB -0.507 40.224 40.800 -0.116 0.000 1.057 233 D HN 0.306 nan 8.370 nan 0.000 0.509 234 Y N 0.778 121.017 120.300 -0.102 0.000 2.165 234 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 234 Y C 2.316 178.199 175.900 -0.029 0.000 1.155 234 Y CA 0.800 58.858 58.100 -0.070 0.000 1.164 234 Y CB -0.069 38.349 38.460 -0.070 0.000 0.978 234 Y HN 0.289 nan 8.280 nan 0.000 0.513 235 L N -0.235 121.086 121.223 0.162 0.000 2.013 235 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 235 L C 2.626 179.527 176.870 0.053 0.000 1.073 235 L CA 2.002 56.898 54.840 0.094 0.000 0.753 235 L CB -0.618 41.493 42.059 0.086 0.000 0.890 235 L HN 0.283 nan 8.230 nan 0.000 0.432 236 Q N -0.174 119.641 119.800 0.026 0.000 2.172 236 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 236 Q C 2.043 178.043 176.000 -0.000 0.000 0.964 236 Q CA 1.555 57.359 55.803 0.001 0.000 0.855 236 Q CB -0.134 28.588 28.738 -0.027 0.000 0.918 236 Q HN 0.431 nan 8.270 nan 0.000 0.444 237 M N -0.481 119.116 119.600 -0.004 0.000 2.388 237 M HA 0.031 4.511 4.480 -0.000 0.000 0.265 237 M C 1.911 178.228 176.300 0.029 0.000 1.088 237 M CA 0.912 56.210 55.300 -0.004 0.000 1.134 237 M CB 0.243 32.822 32.600 -0.034 0.000 1.384 237 M HN 0.162 nan 8.290 nan 0.000 0.447 238 S N 0.747 116.474 115.700 0.045 0.000 2.402 238 S HA -0.042 4.428 4.470 -0.000 0.000 0.229 238 S C 2.004 176.628 174.600 0.039 0.000 1.021 238 S CA 1.249 59.478 58.200 0.048 0.000 0.974 238 S CB -0.199 63.031 63.200 0.049 0.000 0.800 238 S HN 0.547 nan 8.310 nan 0.000 0.484 239 A N 1.259 124.100 122.820 0.034 0.000 1.930 239 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 239 A C 0.848 178.452 177.584 0.032 0.000 1.176 239 A CA 0.295 52.350 52.037 0.030 0.000 0.632 239 A CB -0.581 18.433 19.000 0.023 0.000 0.819 239 A HN 0.452 nan 8.150 nan 0.000 0.445 240 D N 0.540 120.961 120.400 0.036 0.000 2.752 240 D HA -0.034 4.606 4.640 -0.000 0.000 0.225 240 D C -0.838 175.500 176.300 0.063 0.000 1.104 240 D CA -0.201 53.828 54.000 0.048 0.000 0.832 240 D CB 0.830 41.666 40.800 0.061 0.000 1.161 240 D HN 0.177 nan 8.370 nan 0.000 0.505 241 P HA -0.203 nan 4.420 nan 0.000 0.215 241 P C 0.870 178.148 177.300 -0.036 0.000 1.157 241 P CA 1.524 64.575 63.100 -0.083 0.000 0.868 241 P CB -0.039 31.485 31.700 -0.293 0.000 0.788 242 Y N -0.404 120.004 120.300 0.180 0.000 2.301 242 Y HA 0.250 4.800 4.550 -0.000 0.000 0.295 242 Y C 1.777 177.845 175.900 0.280 0.000 1.119 242 Y CA 0.868 59.105 58.100 0.228 0.000 1.162 242 Y CB -0.540 38.013 38.460 0.155 0.000 1.046 242 Y HN 0.041 nan 8.280 nan 0.000 0.538 243 G N 0.775 109.789 108.800 0.356 0.000 2.303 243 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 243 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 243 G C -0.049 174.999 174.900 0.246 0.000 1.106 243 G CA 0.396 45.649 45.100 0.255 0.000 0.900 243 G HN 0.346 nan 8.290 nan 0.000 0.495 244 D N -0.223 120.302 120.400 0.207 0.000 2.366 244 D HA 0.113 4.753 4.640 -0.000 0.000 0.205 244 D C 2.387 178.641 176.300 -0.075 0.000 1.022 244 D CA 0.966 55.055 54.000 0.148 0.000 0.868 244 D CB 0.170 41.103 40.800 0.222 0.000 0.953 244 D HN 0.404 nan 8.370 nan 0.000 0.514 245 S N 0.516 116.185 115.700 -0.052 0.000 2.355 245 S HA -0.061 4.409 4.470 -0.000 0.000 0.222 245 S C 1.119 175.602 174.600 -0.195 0.000 1.031 245 S CA 0.762 58.881 58.200 -0.134 0.000 0.993 245 S CB -0.118 63.031 63.200 -0.085 0.000 0.859 245 S HN 0.386 nan 8.310 nan 0.000 0.453 246 M N 0.034 119.554 119.600 -0.134 0.000 2.238 246 M HA 0.545 5.025 4.480 -0.000 0.000 0.278 246 M C -1.318 175.001 176.300 0.032 0.000 1.040 246 M CA -0.813 54.415 55.300 -0.120 0.000 0.969 246 M CB 1.377 33.965 32.600 -0.021 0.000 1.694 246 M HN 0.051 nan 8.290 nan 0.000 0.472 247 F N 1.660 121.713 119.950 0.171 0.000 2.855 247 F HA 0.773 5.300 4.527 -0.000 0.000 0.317 247 F C -1.328 174.645 175.800 0.290 0.000 1.169 247 F CA -1.837 56.272 58.000 0.181 0.000 1.299 247 F CB -0.307 38.788 39.000 0.158 0.000 0.962 247 F HN 0.573 nan 8.300 nan 0.000 0.506 248 F N 1.245 121.376 119.950 0.303 0.000 2.686 248 F HA 0.470 4.997 4.527 -0.000 0.000 0.315 248 F C -1.993 173.881 175.800 0.124 0.000 1.088 248 F CA -1.610 56.513 58.000 0.204 0.000 1.034 248 F CB 0.769 39.919 39.000 0.249 0.000 1.280 248 F HN 0.271 nan 8.300 nan 0.000 0.463 249 C N 7.753 126.701 119.300 -0.588 0.000 2.716 249 C HA 0.857 5.317 4.460 -0.000 0.000 0.366 249 C C -2.403 172.291 174.990 -0.492 0.000 1.073 249 C CA -0.572 58.256 59.018 -0.316 0.000 1.260 249 C CB 0.370 28.078 27.740 -0.054 0.000 1.755 249 C HN 0.819 nan 8.230 nan 0.000 0.475 250 L N 6.418 127.424 121.223 -0.361 0.000 2.406 250 L HA 0.764 5.104 4.340 -0.000 0.000 0.272 250 L C -0.046 176.735 176.870 -0.149 0.000 0.980 250 L CA -0.038 54.604 54.840 -0.330 0.000 0.831 250 L CB 1.710 43.506 42.059 -0.437 0.000 1.253 250 L HN 0.903 nan 8.230 nan 0.000 0.406 251 R N 2.561 122.974 120.500 -0.145 0.000 2.750 251 R HA 0.940 5.280 4.340 -0.000 0.000 0.281 251 R C -0.830 175.424 176.300 -0.076 0.000 0.972 251 R CA -1.057 55.002 56.100 -0.069 0.000 0.912 251 R CB 2.212 32.466 30.300 -0.077 0.000 1.187 251 R HN 0.471 nan 8.270 nan 0.000 0.464 252 R N 1.536 122.016 120.500 -0.033 0.000 2.585 252 R HA 0.169 4.508 4.340 -0.000 0.000 0.288 252 R C -1.458 174.856 176.300 0.023 0.000 1.194 252 R CA -0.377 55.707 56.100 -0.026 0.000 1.006 252 R CB 1.453 31.714 30.300 -0.065 0.000 1.229 252 R HN 0.996 nan 8.270 nan 0.000 0.412 253 E N 4.027 124.256 120.200 0.047 0.000 2.359 253 E HA 0.468 4.818 4.350 -0.000 0.000 0.266 253 E C -1.412 175.226 176.600 0.063 0.000 0.920 253 E CA -1.068 55.379 56.400 0.078 0.000 0.788 253 E CB 2.660 32.428 29.700 0.113 0.000 1.279 253 E HN 0.637 nan 8.360 nan 0.000 0.438 254 Q N 0.650 120.496 119.800 0.076 0.000 2.617 254 Q HA 0.511 4.851 4.340 -0.000 0.000 0.270 254 Q C -1.476 174.583 176.000 0.098 0.000 0.967 254 Q CA -1.128 54.722 55.803 0.078 0.000 0.887 254 Q CB 1.419 30.202 28.738 0.075 0.000 1.516 254 Q HN 0.589 nan 8.270 nan 0.000 0.395 255 L N -1.291 119.998 121.223 0.110 0.000 2.999 255 L HA 0.880 5.220 4.340 -0.000 0.000 0.274 255 L C -1.684 175.297 176.870 0.186 0.000 1.044 255 L CA -0.856 54.048 54.840 0.106 0.000 0.943 255 L CB 0.563 42.632 42.059 0.015 0.000 1.522 255 L HN 1.069 nan 8.230 nan 0.000 0.400 256 F N -1.149 118.799 119.950 -0.003 0.000 2.741 256 F HA 0.930 5.457 4.527 -0.000 0.000 0.313 256 F C -0.825 174.965 175.800 -0.016 0.000 1.153 256 F CA -0.700 57.293 58.000 -0.013 0.000 0.931 256 F CB 1.138 40.129 39.000 -0.015 0.000 1.335 256 F HN 0.893 nan 8.300 nan 0.000 0.460 257 A N 2.478 125.367 122.820 0.114 0.000 2.310 257 A HA 0.548 4.868 4.320 -0.000 0.000 0.300 257 A C 0.942 178.478 177.584 -0.081 0.000 1.269 257 A CA -0.395 51.632 52.037 -0.017 0.000 0.909 257 A CB 0.568 19.699 19.000 0.218 0.000 1.144 257 A HN 0.910 nan 8.150 nan 0.000 0.540 258 R N 1.726 121.991 120.500 -0.391 0.000 2.055 258 R HA 0.051 4.391 4.340 -0.000 0.000 0.228 258 R C -0.051 175.921 176.300 -0.546 0.000 1.143 258 R CA 1.737 57.627 56.100 -0.351 0.000 0.945 258 R CB -0.212 29.933 30.300 -0.258 0.000 0.841 258 R HN 0.867 nan 8.270 nan 0.000 0.429 259 H N -2.537 116.243 119.070 -0.483 0.000 2.894 259 H HA 0.402 4.958 4.556 -0.000 0.000 0.368 259 H C -1.275 173.694 175.328 -0.599 0.000 1.181 259 H CA -0.647 54.951 56.048 -0.749 0.000 1.146 259 H CB 1.575 30.746 29.762 -0.986 0.000 1.839 259 H HN -0.025 nan 8.280 nan 0.000 0.557 260 F N 1.868 121.501 119.950 -0.528 0.000 2.402 260 F HA 0.307 4.833 4.527 -0.000 0.000 0.355 260 F C -0.677 175.042 175.800 -0.135 0.000 1.123 260 F CA -0.791 57.030 58.000 -0.298 0.000 1.021 260 F CB 1.247 40.178 39.000 -0.115 0.000 1.160 260 F HN 0.164 nan 8.300 nan 0.000 0.451 261 W N 1.420 122.943 121.300 0.371 0.000 2.902 261 W HA 0.325 4.985 4.660 -0.000 0.000 0.346 261 W C -0.637 176.033 176.519 0.252 0.000 1.139 261 W CA -1.187 56.333 57.345 0.290 0.000 1.139 261 W CB 1.396 31.014 29.460 0.263 0.000 1.439 261 W HN 0.416 nan 8.180 nan 0.000 0.558 262 N N 0.839 119.790 118.700 0.418 0.000 2.495 262 N HA 0.392 5.132 4.740 -0.000 0.000 0.280 262 N C -0.458 175.105 175.510 0.090 0.000 1.168 262 N CA -0.566 52.573 53.050 0.147 0.000 0.978 262 N CB 0.919 39.462 38.487 0.093 0.000 1.191 262 N HN -0.075 nan 8.380 nan 0.000 0.497 263 R N 1.141 121.629 120.500 -0.020 0.000 2.445 263 R HA 0.414 4.754 4.340 -0.000 0.000 0.308 263 R C -0.750 175.515 176.300 -0.060 0.000 0.961 263 R CA -0.659 55.424 56.100 -0.029 0.000 0.862 263 R CB 1.391 31.666 30.300 -0.041 0.000 1.144 263 R HN 0.600 nan 8.270 nan 0.000 0.447 264 A N 1.232 124.015 122.820 -0.062 0.000 2.425 264 A HA 0.633 4.952 4.320 -0.000 0.000 0.242 264 A C 0.553 178.099 177.584 -0.064 0.000 1.077 264 A CA 0.822 52.823 52.037 -0.061 0.000 0.781 264 A CB 0.261 19.225 19.000 -0.060 0.000 1.020 264 A HN 0.852 nan 8.150 nan 0.000 0.494 265 G N -0.411 108.355 108.800 -0.057 0.000 2.355 265 G HA2 0.475 4.435 3.960 -0.000 0.000 0.619 265 G HA3 0.475 4.435 3.960 -0.000 0.000 0.619 265 G C -0.298 174.573 174.900 -0.049 0.000 1.337 265 G CA -0.090 44.978 45.100 -0.053 0.000 0.993 265 G HN 1.968 nan 8.290 nan 0.000 0.599 266 T N -1.057 113.472 114.554 -0.043 0.000 2.909 266 T HA 0.626 4.976 4.350 -0.000 0.000 0.286 266 T C 0.728 175.403 174.700 -0.041 0.000 1.002 266 T CA -0.697 61.380 62.100 -0.038 0.000 1.074 266 T CB 1.199 70.050 68.868 -0.029 0.000 0.984 266 T HN 0.574 nan 8.240 nan 0.000 0.495 267 M N 3.199 122.774 119.600 -0.041 0.000 2.194 267 M HA 0.248 4.727 4.480 -0.000 0.000 0.347 267 M C 1.681 177.963 176.300 -0.031 0.000 1.439 267 M CA -0.644 54.630 55.300 -0.043 0.000 1.131 267 M CB 0.142 32.715 32.600 -0.046 0.000 1.733 267 M HN 1.088 nan 8.290 nan 0.000 0.467 268 G N 3.383 112.165 108.800 -0.030 0.000 2.459 268 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 268 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 268 G C 0.233 175.123 174.900 -0.016 0.000 1.183 268 G CA 0.493 45.580 45.100 -0.022 0.000 0.776 268 G HN 0.626 nan 8.290 nan 0.000 0.552 269 D N 1.163 121.553 120.400 -0.016 0.000 2.317 269 D HA 0.320 4.960 4.640 -0.000 0.000 0.234 269 D C -0.244 176.055 176.300 -0.002 0.000 1.112 269 D CA 0.075 54.070 54.000 -0.008 0.000 0.840 269 D CB 1.258 42.053 40.800 -0.009 0.000 1.078 269 D HN -0.054 nan 8.370 nan 0.000 0.486 270 T N 1.334 115.893 114.554 0.007 0.000 2.769 270 T HA 0.104 4.453 4.350 -0.000 0.000 0.293 270 T C 0.914 175.637 174.700 0.039 0.000 0.931 270 T CA -0.583 61.529 62.100 0.020 0.000 1.139 270 T CB 0.616 69.500 68.868 0.027 0.000 0.881 270 T HN 0.059 nan 8.240 nan 0.000 0.532 271 V N 7.257 127.196 119.914 0.042 0.000 2.506 271 V HA 0.023 4.143 4.120 -0.000 0.000 0.296 271 V C -1.611 174.583 176.094 0.167 0.000 1.004 271 V CA -1.203 61.147 62.300 0.082 0.000 1.150 271 V CB -0.785 31.063 31.823 0.042 0.000 0.911 271 V HN 0.747 nan 8.190 nan 0.000 0.476 272 P HA 0.019 nan 4.420 nan 0.000 0.264 272 P C 0.812 178.199 177.300 0.145 0.000 1.183 272 P CA 0.031 63.197 63.100 0.112 0.000 0.763 272 P CB 0.424 32.169 31.700 0.075 0.000 0.807 273 Q N 1.447 121.257 119.800 0.016 0.000 2.226 273 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 273 Q C 1.570 177.416 176.000 -0.256 0.000 0.975 273 Q CA 1.825 57.503 55.803 -0.209 0.000 0.866 273 Q CB -0.364 28.274 28.738 -0.165 0.000 0.915 273 Q HN 0.617 nan 8.270 nan 0.000 0.440 274 S N -0.623 115.019 115.700 -0.095 0.000 2.607 274 S HA 0.068 4.538 4.470 -0.000 0.000 0.224 274 S C 1.497 176.083 174.600 -0.024 0.000 0.969 274 S CA 0.121 58.279 58.200 -0.070 0.000 0.927 274 S CB -0.157 63.025 63.200 -0.031 0.000 0.772 274 S HN 0.278 nan 8.310 nan 0.000 0.533 275 L N 0.323 121.570 121.223 0.039 0.000 2.640 275 L HA 0.419 4.759 4.340 -0.000 0.000 0.230 275 L C 0.207 177.228 176.870 0.252 0.000 1.123 275 L CA -0.407 54.521 54.840 0.147 0.000 0.900 275 L CB -0.307 41.869 42.059 0.196 0.000 1.146 275 L HN 0.616 nan 8.230 nan 0.000 0.484 276 Y N -2.863 117.444 120.300 0.012 0.000 2.930 276 Y HA 0.618 5.168 4.550 -0.000 0.000 0.336 276 Y C -1.274 174.633 175.900 0.012 0.000 1.416 276 Y CA -1.656 56.452 58.100 0.014 0.000 1.091 276 Y CB 0.968 39.440 38.460 0.020 0.000 1.631 276 Y HN -0.276 nan 8.280 nan 0.000 0.436 277 I N 2.061 122.699 120.570 0.115 0.000 2.498 277 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 277 I C -0.725 175.475 176.117 0.138 0.000 1.032 277 I CA -1.105 60.198 61.300 0.006 0.000 1.073 277 I CB 2.109 40.126 38.000 0.029 0.000 1.251 277 I HN 0.511 nan 8.210 nan 0.000 0.426 278 K N 3.045 123.475 120.400 0.050 0.000 2.380 278 K HA 0.332 4.651 4.320 -0.000 0.000 0.267 278 K C 0.455 177.122 176.600 0.112 0.000 0.990 278 K CA -0.039 56.336 56.287 0.146 0.000 0.946 278 K CB 0.810 33.356 32.500 0.076 0.000 0.937 278 K HN 0.833 nan 8.250 nan 0.000 0.491 279 G N 0.170 109.039 108.800 0.114 0.000 2.971 279 G HA2 0.443 4.402 3.960 -0.000 0.000 0.235 279 G HA3 0.443 4.402 3.960 -0.000 0.000 0.235 279 G C -0.779 174.154 174.900 0.055 0.000 1.351 279 G CA -0.502 44.641 45.100 0.073 0.000 1.039 279 G HN 0.595 nan 8.290 nan 0.000 0.563 280 T N -3.365 111.214 114.554 0.042 0.000 2.912 280 T HA 0.696 5.046 4.350 -0.000 0.000 0.288 280 T C 0.751 175.469 174.700 0.030 0.000 1.030 280 T CA 0.585 62.704 62.100 0.033 0.000 1.020 280 T CB 1.352 70.236 68.868 0.026 0.000 1.056 280 T HN 2.368 nan 8.240 nan 0.000 0.480 281 G N 2.425 111.240 108.800 0.026 0.000 2.512 281 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 281 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 281 G C 0.842 175.756 174.900 0.023 0.000 1.199 281 G CA 0.557 45.670 45.100 0.022 0.000 0.941 281 G HN 1.424 nan 8.290 nan 0.000 0.569 282 M N -0.749 118.863 119.600 0.020 0.000 2.374 282 M HA 0.269 4.749 4.480 -0.000 0.000 0.264 282 M C 2.111 178.422 176.300 0.018 0.000 1.067 282 M CA 2.079 57.389 55.300 0.017 0.000 1.103 282 M CB -0.129 32.480 32.600 0.015 0.000 1.402 282 M HN 0.328 nan 8.290 nan 0.000 0.444 283 R N 0.747 121.262 120.500 0.026 0.000 2.320 283 R HA 0.266 4.606 4.340 -0.000 0.000 0.211 283 R C 1.827 178.160 176.300 0.054 0.000 0.931 283 R CA 0.397 56.517 56.100 0.033 0.000 1.071 283 R CB -0.049 30.273 30.300 0.037 0.000 1.025 283 R HN 0.553 nan 8.270 nan 0.000 0.495 284 A N -0.076 122.776 122.820 0.052 0.000 2.072 284 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 284 A C 0.873 178.516 177.584 0.099 0.000 1.156 284 A CA 0.546 52.627 52.037 0.073 0.000 0.701 284 A CB 0.347 19.378 19.000 0.053 0.000 0.816 284 A HN 0.144 nan 8.150 nan 0.000 0.458 285 S N 0.709 116.445 115.700 0.060 0.000 2.557 285 S HA 0.559 5.029 4.470 -0.000 0.000 0.291 285 S C -3.008 171.572 174.600 -0.035 0.000 1.116 285 S CA -1.608 56.620 58.200 0.048 0.000 0.992 285 S CB 1.346 64.567 63.200 0.036 0.000 1.028 285 S HN 0.180 nan 8.310 nan 0.000 0.484 286 P HA 0.221 nan 4.420 nan 0.000 0.267 286 P C 0.560 177.790 177.300 -0.117 0.000 1.200 286 P CA -0.062 62.903 63.100 -0.225 0.000 0.772 286 P CB 0.224 31.665 31.700 -0.432 0.000 0.855 287 G N 1.085 109.828 108.800 -0.095 0.000 2.531 287 G HA2 0.226 4.186 3.960 -0.000 0.000 0.253 287 G HA3 0.226 4.186 3.960 -0.000 0.000 0.253 287 G C -0.287 174.556 174.900 -0.095 0.000 1.439 287 G CA -0.451 44.608 45.100 -0.067 0.000 1.056 287 G HN 0.613 nan 8.290 nan 0.000 0.555 288 S N -1.957 113.681 115.700 -0.103 0.000 2.533 288 S HA 0.133 4.603 4.470 -0.000 0.000 0.282 288 S C 0.330 174.745 174.600 -0.309 0.000 1.304 288 S CA -0.500 57.599 58.200 -0.169 0.000 1.063 288 S CB 0.004 63.111 63.200 -0.156 0.000 0.881 288 S HN 0.494 nan 8.310 nan 0.000 0.493 289 C N 5.511 124.606 119.300 -0.341 0.000 2.741 289 C HA 0.379 4.839 4.460 -0.000 0.000 0.267 289 C C -0.361 174.338 174.990 -0.485 0.000 1.549 289 C CA -0.583 58.161 59.018 -0.456 0.000 1.772 289 C CB -1.075 26.595 27.740 -0.117 0.000 2.962 289 C HN 0.690 nan 8.230 nan 0.000 0.514 290 V N 1.851 121.439 119.914 -0.543 0.000 2.284 290 V HA 0.391 4.511 4.120 -0.000 0.000 0.274 290 V C -0.746 175.173 176.094 -0.291 0.000 1.023 290 V CA -0.372 61.765 62.300 -0.272 0.000 0.808 290 V CB -0.036 31.701 31.823 -0.142 0.000 1.035 290 V HN 0.419 nan 8.190 nan 0.000 0.445 291 Y N 2.080 122.402 120.300 0.037 0.000 2.496 291 Y HA 0.762 5.312 4.550 -0.000 0.000 0.331 291 Y C 0.612 176.553 175.900 0.069 0.000 1.140 291 Y CA -0.649 57.488 58.100 0.061 0.000 1.166 291 Y CB 2.299 40.762 38.460 0.006 0.000 1.249 291 Y HN 0.632 nan 8.280 nan 0.000 0.479 292 S N 1.771 117.647 115.700 0.293 0.000 2.582 292 S HA 0.475 4.944 4.470 -0.000 0.000 0.287 292 S C -3.493 171.256 174.600 0.248 0.000 1.146 292 S CA -1.283 57.052 58.200 0.225 0.000 0.941 292 S CB 2.190 65.546 63.200 0.260 0.000 1.115 292 S HN 0.385 nan 8.310 nan 0.000 0.458 293 P HA 0.429 nan 4.420 nan 0.000 0.287 293 P C -0.321 176.946 177.300 -0.056 0.000 1.270 293 P CA -0.507 62.611 63.100 0.031 0.000 0.844 293 P CB 1.539 33.242 31.700 0.005 0.000 1.068 294 S N 2.794 118.391 115.700 -0.172 0.000 2.505 294 S HA 0.332 4.802 4.470 -0.000 0.000 0.276 294 S C -1.900 172.561 174.600 -0.231 0.000 1.274 294 S CA -1.024 57.107 58.200 -0.116 0.000 1.053 294 S CB -0.231 62.878 63.200 -0.151 0.000 0.919 294 S HN 0.353 nan 8.310 nan 0.000 0.490 295 P HA 0.418 nan 4.420 nan 0.000 0.286 295 P C -0.416 176.705 177.300 -0.299 0.000 1.293 295 P CA -0.530 62.395 63.100 -0.292 0.000 0.770 295 P CB 0.814 32.364 31.700 -0.249 0.000 1.206 296 S N -1.958 113.526 115.700 -0.359 0.000 2.658 296 S HA 0.485 4.955 4.470 -0.000 0.000 0.312 296 S C -0.802 173.657 174.600 -0.235 0.000 1.006 296 S CA -0.563 57.417 58.200 -0.367 0.000 0.855 296 S CB -0.258 62.505 63.200 -0.728 0.000 1.053 296 S HN 0.693 nan 8.310 nan 0.000 0.455 297 G N 2.120 110.929 108.800 0.014 0.000 2.400 297 G HA2 0.575 4.535 3.960 -0.000 0.000 0.301 297 G HA3 0.575 4.535 3.960 -0.000 0.000 0.301 297 G C 0.443 175.470 174.900 0.213 0.000 1.154 297 G CA 0.033 45.213 45.100 0.133 0.000 0.852 297 G HN 0.768 nan 8.290 nan 0.000 0.511 298 S N 0.498 116.359 115.700 0.270 0.000 3.145 298 S HA 0.351 4.821 4.470 -0.000 0.000 0.174 298 S C 0.959 175.649 174.600 0.150 0.000 0.981 298 S CA -0.556 57.816 58.200 0.286 0.000 1.620 298 S CB -0.310 62.996 63.200 0.176 0.000 0.569 298 S HN 0.407 nan 8.310 nan 0.000 0.523 299 I N 1.593 122.217 120.570 0.090 0.000 2.634 299 I HA 0.236 4.405 4.170 -0.000 0.000 0.284 299 I C -0.162 175.993 176.117 0.064 0.000 1.124 299 I CA -0.109 61.229 61.300 0.062 0.000 1.417 299 I CB 1.284 39.303 38.000 0.033 0.000 1.396 299 I HN 0.170 nan 8.210 nan 0.000 0.571 300 V N 5.940 125.889 119.914 0.058 0.000 2.398 300 V HA 0.665 4.785 4.120 -0.000 0.000 0.286 300 V C -0.233 175.884 176.094 0.038 0.000 1.026 300 V CA 0.147 62.479 62.300 0.054 0.000 0.868 300 V CB 1.658 33.518 31.823 0.061 0.000 0.982 300 V HN 0.882 nan 8.190 nan 0.000 0.443 301 T N 2.659 117.231 114.554 0.030 0.000 2.883 301 T HA 0.421 4.770 4.350 -0.000 0.000 0.296 301 T C 0.890 175.601 174.700 0.017 0.000 1.117 301 T CA 0.123 62.236 62.100 0.021 0.000 1.006 301 T CB 1.894 70.770 68.868 0.014 0.000 1.191 301 T HN 1.122 nan 8.240 nan 0.000 0.508 302 S N 1.016 116.724 115.700 0.013 0.000 2.562 302 S HA 0.053 4.523 4.470 -0.000 0.000 0.221 302 S C 1.111 175.714 174.600 0.005 0.000 0.975 302 S CA 0.218 58.425 58.200 0.011 0.000 0.918 302 S CB -0.222 62.984 63.200 0.010 0.000 0.772 302 S HN 0.727 nan 8.310 nan 0.000 0.531 303 D N 2.928 123.330 120.400 0.003 0.000 2.117 303 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 303 D C 1.590 177.888 176.300 -0.004 0.000 0.987 303 D CA 1.695 55.695 54.000 -0.000 0.000 0.829 303 D CB -0.247 40.553 40.800 -0.001 0.000 0.961 303 D HN 0.659 nan 8.370 nan 0.000 0.460 304 S N -0.097 115.599 115.700 -0.006 0.000 2.618 304 S HA 0.146 4.616 4.470 -0.000 0.000 0.242 304 S C 0.487 175.067 174.600 -0.033 0.000 0.972 304 S CA -0.556 57.634 58.200 -0.016 0.000 1.004 304 S CB 0.433 63.628 63.200 -0.009 0.000 0.778 304 S HN -0.058 nan 8.310 nan 0.000 0.459 305 Q N 0.988 120.774 119.800 -0.024 0.000 2.304 305 Q HA 0.428 4.768 4.340 -0.000 0.000 0.260 305 Q C 0.593 176.543 176.000 -0.083 0.000 0.965 305 Q CA -0.383 55.397 55.803 -0.037 0.000 0.898 305 Q CB 0.950 29.693 28.738 0.009 0.000 1.196 305 Q HN 0.296 nan 8.270 nan 0.000 0.402 306 L N 3.738 124.813 121.223 -0.246 0.000 2.307 306 L HA 0.292 4.632 4.340 -0.000 0.000 0.211 306 L C -0.216 176.534 176.870 -0.199 0.000 1.099 306 L CA 1.125 55.744 54.840 -0.369 0.000 0.816 306 L CB -0.039 41.551 42.059 -0.781 0.000 0.952 306 L HN 0.669 nan 8.230 nan 0.000 0.455 307 F N -1.108 118.941 119.950 0.164 0.000 2.544 307 F HA 0.266 4.793 4.527 -0.000 0.000 0.378 307 F C 1.333 177.146 175.800 0.021 0.000 1.112 307 F CA -0.947 57.154 58.000 0.169 0.000 1.115 307 F CB 0.152 39.208 39.000 0.093 0.000 1.436 307 F HN -0.168 nan 8.300 nan 0.000 0.496 308 N N -0.012 118.814 118.700 0.210 0.000 2.714 308 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 308 N C -1.430 174.022 175.510 -0.097 0.000 1.117 308 N CA 0.519 53.576 53.050 0.011 0.000 0.719 308 N CB -0.741 37.758 38.487 0.021 0.000 1.081 308 N HN 0.364 nan 8.380 nan 0.000 0.557 309 K N 0.061 120.320 120.400 -0.234 0.000 2.422 309 K HA 0.444 4.764 4.320 -0.000 0.000 0.251 309 K C -2.746 173.283 176.600 -0.952 0.000 0.933 309 K CA -1.665 54.321 56.287 -0.502 0.000 0.798 309 K CB 2.585 34.768 32.500 -0.527 0.000 1.238 309 K HN -0.149 nan 8.250 nan 0.000 0.428 310 P HA 0.143 nan 4.420 nan 0.000 0.285 310 P C -1.495 175.081 177.300 -1.208 0.000 1.259 310 P CA -0.236 62.282 63.100 -0.970 0.000 0.794 310 P CB 0.374 31.591 31.700 -0.806 0.000 0.940 311 Y N 1.105 120.994 120.300 -0.685 0.000 2.376 311 Y HA 0.461 5.010 4.550 -0.000 0.000 0.340 311 Y C -0.334 175.140 175.900 -0.710 0.000 0.965 311 Y CA -0.756 57.033 58.100 -0.518 0.000 1.078 311 Y CB 1.103 39.579 38.460 0.028 0.000 1.193 311 Y HN 0.350 nan 8.280 nan 0.000 0.452 312 W N 4.405 125.802 121.300 0.162 0.000 2.433 312 W HA 0.704 5.363 4.660 -0.000 0.000 0.315 312 W C -0.877 175.738 176.519 0.160 0.000 1.087 312 W CA -1.144 56.256 57.345 0.091 0.000 1.205 312 W CB 1.097 30.611 29.460 0.090 0.000 1.288 312 W HN 0.387 nan 8.180 nan 0.000 0.504 313 L N 2.665 124.050 121.223 0.270 0.000 2.264 313 L HA 0.454 4.794 4.340 -0.000 0.000 0.287 313 L C 1.061 178.112 176.870 0.302 0.000 1.039 313 L CA -0.736 54.277 54.840 0.287 0.000 0.829 313 L CB 0.476 42.575 42.059 0.066 0.000 1.211 313 L HN 0.621 nan 8.230 nan 0.000 0.427 314 H N 1.775 120.944 119.070 0.166 0.000 2.451 314 H HA 0.311 4.867 4.556 -0.000 0.000 0.294 314 H C -0.369 175.018 175.328 0.098 0.000 1.028 314 H CA -0.165 55.963 56.048 0.134 0.000 1.349 314 H CB 0.251 30.092 29.762 0.132 0.000 1.444 314 H HN 0.542 nan 8.280 nan 0.000 0.538 315 K N 0.702 120.765 120.400 -0.562 0.000 2.656 315 K HA 0.588 4.908 4.320 -0.000 0.000 0.253 315 K C -0.946 175.519 176.600 -0.225 0.000 1.002 315 K CA -0.178 55.915 56.287 -0.323 0.000 0.880 315 K CB 2.914 35.247 32.500 -0.278 0.000 1.232 315 K HN 0.348 nan 8.250 nan 0.000 0.456 316 A N 1.706 124.484 122.820 -0.070 0.000 2.327 316 A HA 0.089 4.409 4.320 -0.000 0.000 0.255 316 A C 1.140 178.751 177.584 0.044 0.000 1.099 316 A CA 0.097 52.159 52.037 0.041 0.000 0.801 316 A CB 0.388 19.443 19.000 0.092 0.000 1.062 316 A HN 0.859 nan 8.150 nan 0.000 0.496 317 Q N 0.617 120.477 119.800 0.099 0.000 2.137 317 Q HA 0.227 4.567 4.340 -0.000 0.000 0.198 317 Q C 1.001 177.009 176.000 0.013 0.000 0.960 317 Q CA 1.181 57.013 55.803 0.049 0.000 0.847 317 Q CB -0.677 28.100 28.738 0.066 0.000 0.915 317 Q HN 0.772 nan 8.270 nan 0.000 0.448 318 G N -0.715 108.127 108.800 0.070 0.000 2.508 318 G HA2 0.175 4.135 3.960 -0.000 0.000 0.278 318 G HA3 0.175 4.135 3.960 -0.000 0.000 0.278 318 G C -0.388 174.523 174.900 0.018 0.000 1.389 318 G CA -0.149 44.974 45.100 0.038 0.000 1.050 318 G HN 0.411 nan 8.290 nan 0.000 0.522 319 H N -1.080 118.105 119.070 0.191 0.000 2.470 319 H HA 0.048 4.604 4.556 -0.000 0.000 0.289 319 H C 1.038 176.514 175.328 0.247 0.000 1.033 319 H CA 0.465 56.638 56.048 0.208 0.000 1.331 319 H CB 0.322 30.231 29.762 0.245 0.000 1.414 319 H HN 0.277 nan 8.280 nan 0.000 0.545 320 N N 1.583 120.538 118.700 0.426 0.000 2.411 320 N HA -0.084 4.656 4.740 -0.000 0.000 0.259 320 N C -0.753 174.925 175.510 0.280 0.000 1.103 320 N CA 0.055 53.336 53.050 0.385 0.000 0.954 320 N CB 0.299 39.090 38.487 0.506 0.000 1.085 320 N HN 0.237 nan 8.380 nan 0.000 0.485 321 N N 3.141 121.903 118.700 0.104 0.000 3.322 321 N HA 0.123 4.863 4.740 -0.000 0.000 0.290 321 N C 0.411 175.775 175.510 -0.244 0.000 1.297 321 N CA 0.253 53.282 53.050 -0.034 0.000 1.167 321 N CB -0.600 37.876 38.487 -0.019 0.000 1.434 321 N HN 0.829 nan 8.380 nan 0.000 0.526 322 G N 0.706 109.160 108.800 -0.577 0.000 2.198 322 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 322 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 322 G C 0.011 174.666 174.900 -0.408 0.000 1.025 322 G CA 0.289 44.629 45.100 -1.267 0.000 0.769 322 G HN 0.349 nan 8.290 nan 0.000 0.507 323 V N 0.392 120.181 119.914 -0.209 0.000 2.470 323 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 323 V C 1.211 177.143 176.094 -0.271 0.000 1.040 323 V CA -0.183 61.913 62.300 -0.340 0.000 1.008 323 V CB 1.206 32.611 31.823 -0.697 0.000 0.990 323 V HN 0.453 nan 8.190 nan 0.000 0.477 324 C N 5.687 124.910 119.300 -0.128 0.000 2.145 324 C HA 0.284 4.743 4.460 -0.000 0.000 0.374 324 C C 0.373 175.385 174.990 0.036 0.000 1.035 324 C CA -1.389 57.650 59.018 0.035 0.000 1.431 324 C CB -1.867 25.929 27.740 0.094 0.000 1.789 324 C HN 0.860 nan 8.230 nan 0.000 0.483 325 W N 2.010 123.460 121.300 0.250 0.000 2.193 325 W HA 0.230 4.889 4.660 -0.000 0.000 0.338 325 W C 1.211 177.927 176.519 0.329 0.000 1.310 325 W CA 0.348 57.848 57.345 0.257 0.000 1.243 325 W CB -0.081 29.541 29.460 0.270 0.000 1.165 325 W HN 0.794 nan 8.180 nan 0.000 0.566 326 H N 0.391 119.631 119.070 0.283 0.000 3.211 326 H HA -0.263 4.293 4.556 -0.000 0.000 0.240 326 H C 0.414 175.799 175.328 0.095 0.000 1.148 326 H CA 1.141 57.271 56.048 0.136 0.000 1.160 326 H CB -1.996 27.839 29.762 0.123 0.000 1.232 326 H HN 0.553 nan 8.280 nan 0.000 0.321 327 N N -0.333 118.486 118.700 0.199 0.000 2.727 327 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 327 N C -0.115 175.399 175.510 0.007 0.000 1.048 327 N CA 1.426 54.528 53.050 0.087 0.000 0.714 327 N CB -0.745 37.769 38.487 0.045 0.000 0.959 327 N HN 0.737 nan 8.380 nan 0.000 0.544 328 Q N -0.390 119.438 119.800 0.047 0.000 2.445 328 Q HA 0.834 5.173 4.340 -0.000 0.000 0.281 328 Q C -0.776 175.196 176.000 -0.046 0.000 1.101 328 Q CA -0.841 54.934 55.803 -0.046 0.000 0.833 328 Q CB 2.584 31.341 28.738 0.032 0.000 1.416 328 Q HN 0.336 nan 8.270 nan 0.000 0.451 329 L N 1.183 122.295 121.223 -0.186 0.000 2.787 329 L HA 0.404 4.744 4.340 -0.000 0.000 0.260 329 L C -1.965 174.776 176.870 -0.215 0.000 0.921 329 L CA -0.394 54.410 54.840 -0.060 0.000 0.984 329 L CB 1.034 43.071 42.059 -0.038 0.000 1.519 329 L HN 0.516 nan 8.230 nan 0.000 0.452 330 F N 4.438 124.328 119.950 -0.101 0.000 2.421 330 F HA 0.631 5.158 4.527 -0.000 0.000 0.337 330 F C 0.094 175.884 175.800 -0.016 0.000 1.105 330 F CA -0.682 57.231 58.000 -0.145 0.000 1.049 330 F CB 1.972 40.796 39.000 -0.294 0.000 1.139 330 F HN 0.040 nan 8.300 nan 0.000 0.479 331 V N 2.828 122.863 119.914 0.202 0.000 2.326 331 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 331 V C -0.362 175.870 176.094 0.230 0.000 1.015 331 V CA -0.667 61.782 62.300 0.249 0.000 0.823 331 V CB 1.408 33.412 31.823 0.303 0.000 1.009 331 V HN 0.793 nan 8.190 nan 0.000 0.436 332 T N 4.731 119.401 114.554 0.193 0.000 2.767 332 T HA 0.649 4.999 4.350 -0.000 0.000 0.288 332 T C -0.298 174.534 174.700 0.220 0.000 0.963 332 T CA -0.336 61.870 62.100 0.177 0.000 1.019 332 T CB 1.586 70.538 68.868 0.141 0.000 0.923 332 T HN 0.325 nan 8.240 nan 0.000 0.468 333 V N 3.798 123.833 119.914 0.202 0.000 2.760 333 V HA 0.622 4.742 4.120 -0.000 0.000 0.309 333 V C -0.795 175.413 176.094 0.190 0.000 1.077 333 V CA -0.676 61.755 62.300 0.220 0.000 0.910 333 V CB 2.420 34.350 31.823 0.179 0.000 1.008 333 V HN 0.723 nan 8.190 nan 0.000 0.424 334 V N 3.130 123.182 119.914 0.230 0.000 2.760 334 V HA 0.659 4.779 4.120 -0.000 0.000 0.309 334 V C -1.360 174.896 176.094 0.268 0.000 1.077 334 V CA -0.509 61.863 62.300 0.119 0.000 0.910 334 V CB 2.199 33.988 31.823 -0.057 0.000 1.008 334 V HN 1.007 nan 8.190 nan 0.000 0.424 335 D N 1.868 122.394 120.400 0.209 0.000 2.319 335 D HA 0.238 4.878 4.640 -0.000 0.000 0.237 335 D C 0.608 176.965 176.300 0.095 0.000 1.353 335 D CA 0.250 54.419 54.000 0.281 0.000 0.992 335 D CB 1.580 42.627 40.800 0.410 0.000 1.368 335 D HN 0.608 nan 8.370 nan 0.000 0.564 336 T N -0.668 113.900 114.554 0.024 0.000 3.107 336 T HA -0.011 4.339 4.350 -0.000 0.000 0.249 336 T C 1.720 176.403 174.700 -0.029 0.000 1.096 336 T CA 0.766 62.779 62.100 -0.145 0.000 1.012 336 T CB -0.146 68.615 68.868 -0.178 0.000 0.977 336 T HN 0.333 nan 8.240 nan 0.000 0.527 337 T N 0.110 114.695 114.554 0.051 0.000 3.051 337 T HA 0.051 4.401 4.350 -0.000 0.000 0.269 337 T C 1.005 175.739 174.700 0.057 0.000 1.127 337 T CA 0.182 62.321 62.100 0.065 0.000 1.107 337 T CB -0.405 68.512 68.868 0.082 0.000 0.898 337 T HN 0.442 nan 8.240 nan 0.000 0.517 338 R N 1.393 121.922 120.500 0.049 0.000 2.564 338 R HA 0.341 4.681 4.340 -0.000 0.000 0.282 338 R C 0.238 176.600 176.300 0.103 0.000 1.573 338 R CA 0.010 56.150 56.100 0.067 0.000 1.588 338 R CB 0.981 31.311 30.300 0.050 0.000 1.154 338 R HN 0.417 nan 8.270 nan 0.000 0.606 339 S N -1.514 114.219 115.700 0.055 0.000 2.664 339 S HA 0.021 4.490 4.470 -0.000 0.000 0.245 339 S C 0.566 175.169 174.600 0.004 0.000 1.019 339 S CA -0.625 57.556 58.200 -0.031 0.000 0.996 339 S CB 0.322 63.452 63.200 -0.117 0.000 0.878 339 S HN 0.317 nan 8.310 nan 0.000 0.493 340 T N 1.538 116.154 114.554 0.104 0.000 2.870 340 T HA 0.322 4.672 4.350 -0.000 0.000 0.300 340 T C -0.310 174.477 174.700 0.145 0.000 0.989 340 T CA -0.463 61.694 62.100 0.095 0.000 1.139 340 T CB 0.104 69.024 68.868 0.087 0.000 0.920 340 T HN 0.414 nan 8.240 nan 0.000 0.537 341 N N 2.153 120.908 118.700 0.092 0.000 2.424 341 N HA 0.362 5.102 4.740 -0.000 0.000 0.271 341 N C -0.377 175.171 175.510 0.063 0.000 0.985 341 N CA -0.769 52.339 53.050 0.096 0.000 0.921 341 N CB 1.158 39.660 38.487 0.025 0.000 1.149 341 N HN 0.496 nan 8.380 nan 0.000 0.492 342 L N 1.922 123.184 121.223 0.064 0.000 2.453 342 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 342 L C 0.469 177.355 176.870 0.027 0.000 1.182 342 L CA 0.256 55.120 54.840 0.039 0.000 0.858 342 L CB 0.327 42.404 42.059 0.031 0.000 1.120 342 L HN 0.472 nan 8.230 nan 0.000 0.474 343 T N 4.741 119.313 114.554 0.030 0.000 2.767 343 T HA 0.568 4.918 4.350 -0.000 0.000 0.284 343 T C -0.096 174.636 174.700 0.053 0.000 0.973 343 T CA -0.218 61.904 62.100 0.038 0.000 0.996 343 T CB 0.978 69.864 68.868 0.031 0.000 0.927 343 T HN 0.290 nan 8.240 nan 0.000 0.456 344 I N 3.745 124.368 120.570 0.089 0.000 2.418 344 I HA 0.474 4.643 4.170 -0.000 0.000 0.287 344 I C -0.105 176.126 176.117 0.190 0.000 1.008 344 I CA -0.716 60.644 61.300 0.101 0.000 1.104 344 I CB 1.177 39.214 38.000 0.061 0.000 1.264 344 I HN 0.768 nan 8.210 nan 0.000 0.438 345 C N 4.305 123.711 119.300 0.178 0.000 2.547 345 C HA 0.986 5.446 4.460 -0.000 0.000 0.313 345 C C -0.102 175.050 174.990 0.270 0.000 1.191 345 C CA -0.474 58.705 59.018 0.269 0.000 1.474 345 C CB 0.615 28.493 27.740 0.230 0.000 2.081 345 C HN 0.848 nan 8.230 nan 0.000 0.476 346 A N 2.729 125.730 122.820 0.302 0.000 2.386 346 A HA 0.980 5.300 4.320 -0.000 0.000 0.308 346 A C 0.086 177.773 177.584 0.171 0.000 1.128 346 A CA -0.135 52.023 52.037 0.200 0.000 0.789 346 A CB 1.315 20.381 19.000 0.110 0.000 1.325 346 A HN 1.775 nan 8.150 nan 0.000 0.437 347 S N -0.480 115.209 115.700 -0.018 0.000 2.713 347 S HA 0.530 5.000 4.470 -0.000 0.000 0.283 347 S C 0.589 175.078 174.600 -0.185 0.000 1.161 347 S CA 0.184 58.190 58.200 -0.323 0.000 0.999 347 S CB 1.163 63.995 63.200 -0.613 0.000 1.039 347 S HN 0.603 nan 8.310 nan 0.000 0.548 348 T N 0.615 115.024 114.554 -0.243 0.000 2.976 348 T HA 0.087 4.437 4.350 -0.000 0.000 0.257 348 T C 0.476 175.100 174.700 -0.126 0.000 1.051 348 T CA 0.657 62.678 62.100 -0.131 0.000 1.141 348 T CB -0.147 68.652 68.868 -0.114 0.000 0.881 348 T HN 0.521 nan 8.240 nan 0.000 0.461 349 Q N 1.219 120.914 119.800 -0.177 0.000 2.354 349 Q HA 0.304 4.643 4.340 -0.000 0.000 0.244 349 Q C 1.370 177.309 176.000 -0.100 0.000 0.969 349 Q CA -0.038 55.690 55.803 -0.125 0.000 0.885 349 Q CB 1.193 29.852 28.738 -0.131 0.000 1.241 349 Q HN 0.196 nan 8.270 nan 0.000 0.461 350 S N 1.821 117.483 115.700 -0.064 0.000 2.348 350 S HA -0.034 4.436 4.470 -0.000 0.000 0.219 350 S C -0.807 173.770 174.600 -0.038 0.000 1.033 350 S CA 0.722 58.895 58.200 -0.045 0.000 0.974 350 S CB -0.812 62.371 63.200 -0.029 0.000 0.868 350 S HN 0.479 nan 8.310 nan 0.000 0.459 351 P HA 0.133 nan 4.420 nan 0.000 0.220 351 P C -0.188 177.100 177.300 -0.019 0.000 1.148 351 P CA 0.706 63.795 63.100 -0.019 0.000 0.803 351 P CB -0.165 31.526 31.700 -0.015 0.000 0.782 352 V N -1.356 118.529 119.914 -0.047 0.000 5.534 352 V HA -0.111 4.009 4.120 -0.000 0.000 0.325 352 V C -1.953 174.145 176.094 0.007 0.000 0.622 352 V CA -0.956 61.318 62.300 -0.043 0.000 1.198 352 V CB -2.540 29.290 31.823 0.011 0.000 1.407 352 V HN 0.280 nan 8.190 nan 0.000 0.477 353 P HA 0.227 nan 4.420 nan 0.000 0.268 353 P C 1.152 178.494 177.300 0.071 0.000 1.208 353 P CA 0.722 63.835 63.100 0.022 0.000 0.777 353 P CB 0.995 32.696 31.700 0.002 0.000 0.875 354 G N 0.630 109.468 108.800 0.064 0.000 3.124 354 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.212 354 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.212 354 G C 0.522 175.479 174.900 0.094 0.000 1.181 354 G CA 0.146 45.292 45.100 0.078 0.000 0.803 354 G HN 0.531 nan 8.290 nan 0.000 0.529 355 Q N 0.073 119.932 119.800 0.099 0.000 2.348 355 Q HA 0.421 4.761 4.340 -0.000 0.000 0.265 355 Q C -1.260 174.844 176.000 0.173 0.000 0.998 355 Q CA -1.059 54.813 55.803 0.114 0.000 0.831 355 Q CB 0.985 29.763 28.738 0.068 0.000 1.251 355 Q HN 0.283 nan 8.270 nan 0.000 0.456 356 Y N 3.440 123.804 120.300 0.105 0.000 2.569 356 Y HA 0.242 4.792 4.550 -0.000 0.000 0.332 356 Y C -0.831 175.156 175.900 0.145 0.000 1.120 356 Y CA 0.595 58.782 58.100 0.146 0.000 1.416 356 Y CB 0.601 39.099 38.460 0.064 0.000 1.210 356 Y HN 0.559 nan 8.280 nan 0.000 0.528 357 D N 5.150 125.300 120.400 -0.416 0.000 2.602 357 D HA 0.351 4.990 4.640 -0.000 0.000 0.245 357 D C 0.498 176.549 176.300 -0.416 0.000 1.325 357 D CA 0.206 53.969 54.000 -0.395 0.000 0.952 357 D CB 1.653 42.380 40.800 -0.122 0.000 1.317 357 D HN 0.755 nan 8.370 nan 0.000 0.577 358 A N 2.921 125.427 122.820 -0.523 0.000 1.882 358 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 358 A C 2.034 179.628 177.584 0.016 0.000 1.253 358 A CA 3.303 55.206 52.037 -0.223 0.000 0.664 358 A CB -1.448 17.524 19.000 -0.048 0.000 0.838 358 A HN 0.727 nan 8.150 nan 0.000 0.460 359 T N -2.152 112.394 114.554 -0.013 0.000 2.849 359 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 359 T C 1.418 176.132 174.700 0.023 0.000 1.066 359 T CA 1.630 63.737 62.100 0.012 0.000 1.130 359 T CB -0.437 68.422 68.868 -0.015 0.000 0.864 359 T HN 0.542 nan 8.240 nan 0.000 0.481 360 K N 0.550 120.956 120.400 0.010 0.000 2.611 360 K HA 0.189 4.509 4.320 -0.000 0.000 0.193 360 K C -0.769 175.637 176.600 -0.323 0.000 1.026 360 K CA 0.179 56.386 56.287 -0.134 0.000 1.063 360 K CB -0.164 32.196 32.500 -0.233 0.000 0.839 360 K HN 0.437 nan 8.250 nan 0.000 0.505 361 F N 0.398 120.327 119.950 -0.035 0.000 2.565 361 F HA 0.346 4.873 4.527 -0.000 0.000 0.313 361 F C -0.065 175.744 175.800 0.015 0.000 1.091 361 F CA -1.098 56.911 58.000 0.015 0.000 0.915 361 F CB 1.581 40.605 39.000 0.040 0.000 1.208 361 F HN -0.408 nan 8.300 nan 0.000 0.453 362 K N 1.924 122.468 120.400 0.239 0.000 2.235 362 K HA 0.445 4.765 4.320 -0.000 0.000 0.266 362 K C -0.994 175.670 176.600 0.106 0.000 0.980 362 K CA -0.953 55.392 56.287 0.096 0.000 0.849 362 K CB 2.063 34.629 32.500 0.110 0.000 1.098 362 K HN 0.524 nan 8.250 nan 0.000 0.445 363 Q N 2.336 122.086 119.800 -0.083 0.000 2.307 363 Q HA 0.328 4.668 4.340 -0.000 0.000 0.262 363 Q C -1.694 174.208 176.000 -0.163 0.000 0.961 363 Q CA -0.304 55.496 55.803 -0.005 0.000 0.882 363 Q CB 0.815 29.547 28.738 -0.011 0.000 1.264 363 Q HN 0.394 nan 8.270 nan 0.000 0.446 364 Y N 0.280 120.590 120.300 0.016 0.000 2.562 364 Y HA 0.633 5.183 4.550 -0.000 0.000 0.343 364 Y C -0.287 175.579 175.900 -0.056 0.000 1.025 364 Y CA -0.861 57.230 58.100 -0.015 0.000 1.082 364 Y CB 2.621 41.076 38.460 -0.009 0.000 1.264 364 Y HN 0.496 nan 8.280 nan 0.000 0.478 365 S N 2.441 118.164 115.700 0.038 0.000 2.519 365 S HA 0.716 5.186 4.470 -0.000 0.000 0.309 365 S C -1.198 173.334 174.600 -0.113 0.000 1.100 365 S CA -0.701 57.446 58.200 -0.089 0.000 1.059 365 S CB 0.329 63.369 63.200 -0.266 0.000 1.008 365 S HN 0.520 nan 8.310 nan 0.000 0.478 366 R N 2.744 123.214 120.500 -0.051 0.000 2.686 366 R HA 0.402 4.741 4.340 -0.000 0.000 0.283 366 R C -1.063 175.261 176.300 0.039 0.000 0.978 366 R CA -0.636 55.446 56.100 -0.030 0.000 0.897 366 R CB 1.425 31.715 30.300 -0.015 0.000 1.192 366 R HN 0.854 nan 8.270 nan 0.000 0.457 367 H N 1.198 120.234 119.070 -0.058 0.000 2.524 367 H HA 0.593 5.148 4.556 -0.000 0.000 0.353 367 H C -1.019 174.320 175.328 0.018 0.000 1.136 367 H CA -0.765 55.276 56.048 -0.013 0.000 1.193 367 H CB 1.942 31.709 29.762 0.008 0.000 1.558 367 H HN 0.166 nan 8.280 nan 0.000 0.515 368 V N 3.202 122.686 119.914 -0.716 0.000 2.919 368 V HA 0.254 4.374 4.120 -0.000 0.000 0.316 368 V C -0.677 175.103 176.094 -0.523 0.000 1.077 368 V CA -0.633 61.418 62.300 -0.416 0.000 0.977 368 V CB 2.058 33.757 31.823 -0.207 0.000 1.039 368 V HN 0.781 nan 8.190 nan 0.000 0.441 369 E N 1.738 121.846 120.200 -0.153 0.000 2.291 369 E HA 0.430 4.780 4.350 -0.000 0.000 0.276 369 E C -1.243 175.416 176.600 0.099 0.000 0.896 369 E CA -0.387 56.009 56.400 -0.007 0.000 0.774 369 E CB 1.745 31.571 29.700 0.210 0.000 1.227 369 E HN 0.717 nan 8.360 nan 0.000 0.413 370 E N 4.195 124.358 120.200 -0.061 0.000 2.216 370 E HA 0.340 4.689 4.350 -0.000 0.000 0.260 370 E C -1.295 175.178 176.600 -0.211 0.000 0.880 370 E CA -0.522 55.858 56.400 -0.033 0.000 0.765 370 E CB 0.676 30.336 29.700 -0.067 0.000 1.174 370 E HN 0.422 nan 8.360 nan 0.000 0.417 371 Y N 1.645 121.878 120.300 -0.112 0.000 2.650 371 Y HA 0.466 5.016 4.550 -0.000 0.000 0.331 371 Y C -0.132 175.610 175.900 -0.264 0.000 1.082 371 Y CA -0.749 57.202 58.100 -0.249 0.000 1.171 371 Y CB 1.692 39.895 38.460 -0.429 0.000 1.326 371 Y HN 0.454 nan 8.280 nan 0.000 0.513 372 D N 1.074 121.384 120.400 -0.150 0.000 2.861 372 D HA 0.259 4.899 4.640 -0.000 0.000 0.216 372 D C -2.015 174.111 176.300 -0.291 0.000 1.323 372 D CA -0.234 53.653 54.000 -0.189 0.000 0.917 372 D CB 1.103 41.826 40.800 -0.128 0.000 1.582 372 D HN 0.543 nan 8.370 nan 0.000 0.576 373 L N 2.499 123.512 121.223 -0.351 0.000 2.295 373 L HA 0.493 4.833 4.340 -0.000 0.000 0.285 373 L C 0.249 176.795 176.870 -0.540 0.000 1.035 373 L CA -0.670 53.868 54.840 -0.503 0.000 0.806 373 L CB 1.779 43.577 42.059 -0.435 0.000 1.214 373 L HN 0.274 nan 8.230 nan 0.000 0.426 374 Q N 2.750 122.049 119.800 -0.835 0.000 2.394 374 Q HA 0.716 5.056 4.340 -0.000 0.000 0.273 374 Q C -1.564 173.721 176.000 -1.192 0.000 1.089 374 Q CA -0.576 54.759 55.803 -0.780 0.000 0.812 374 Q CB 2.998 31.451 28.738 -0.474 0.000 1.353 374 Q HN 0.371 nan 8.270 nan 0.000 0.438 375 F N 0.557 120.073 119.950 -0.722 0.000 2.664 375 F HA 0.571 5.098 4.527 -0.000 0.000 0.317 375 F C -0.748 174.501 175.800 -0.917 0.000 1.108 375 F CA -1.044 56.461 58.000 -0.825 0.000 0.957 375 F CB 1.471 39.838 39.000 -1.055 0.000 1.365 375 F HN 0.261 nan 8.300 nan 0.000 0.475 376 I N 2.218 122.399 120.570 -0.648 0.000 2.468 376 I HA 0.350 4.519 4.170 -0.000 0.000 0.285 376 I C -1.179 174.599 176.117 -0.566 0.000 1.039 376 I CA -0.866 60.091 61.300 -0.572 0.000 1.074 376 I CB 1.252 38.907 38.000 -0.575 0.000 1.228 376 I HN 0.404 nan 8.210 nan 0.000 0.436 377 F N 3.994 123.807 119.950 -0.229 0.000 2.492 377 F HA 0.520 5.047 4.527 -0.000 0.000 0.327 377 F C 0.498 176.349 175.800 0.085 0.000 1.079 377 F CA -0.690 57.213 58.000 -0.161 0.000 0.967 377 F CB 1.847 40.551 39.000 -0.493 0.000 1.169 377 F HN 0.388 nan 8.300 nan 0.000 0.472 378 Q N 3.121 123.145 119.800 0.373 0.000 2.333 378 Q HA 0.503 4.843 4.340 -0.000 0.000 0.267 378 Q C -1.533 174.667 176.000 0.334 0.000 1.012 378 Q CA -1.107 54.805 55.803 0.183 0.000 0.824 378 Q CB 1.986 30.742 28.738 0.031 0.000 1.290 378 Q HN 0.736 nan 8.270 nan 0.000 0.449 379 L N 3.663 125.070 121.223 0.307 0.000 2.416 379 L HA 0.340 4.679 4.340 -0.000 0.000 0.272 379 L C -1.327 175.493 176.870 -0.084 0.000 1.161 379 L CA 0.426 55.327 54.840 0.102 0.000 0.845 379 L CB 0.728 42.814 42.059 0.045 0.000 1.119 379 L HN 0.867 nan 8.230 nan 0.000 0.464 380 C N 2.033 121.221 119.300 -0.187 0.000 2.898 380 C HA 0.755 5.215 4.460 -0.000 0.000 0.304 380 C C 0.050 174.920 174.990 -0.199 0.000 1.237 380 C CA -0.616 58.313 59.018 -0.149 0.000 1.529 380 C CB 1.875 29.558 27.740 -0.095 0.000 2.021 380 C HN 0.897 nan 8.230 nan 0.000 0.474 381 T N -0.267 114.211 114.554 -0.128 0.000 2.895 381 T HA 0.814 5.164 4.350 -0.000 0.000 0.283 381 T C -0.870 173.814 174.700 -0.027 0.000 1.014 381 T CA -0.446 61.585 62.100 -0.114 0.000 1.037 381 T CB 0.771 69.604 68.868 -0.059 0.000 1.006 381 T HN 0.530 nan 8.240 nan 0.000 0.468 382 I N 2.413 122.970 120.570 -0.023 0.000 2.410 382 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 382 I C -0.036 176.106 176.117 0.043 0.000 1.009 382 I CA -0.835 60.514 61.300 0.082 0.000 1.111 382 I CB 2.135 40.231 38.000 0.161 0.000 1.262 382 I HN 0.675 nan 8.210 nan 0.000 0.443 383 T N 7.251 121.852 114.554 0.078 0.000 2.743 383 T HA 0.428 4.778 4.350 -0.000 0.000 0.293 383 T C 0.115 174.853 174.700 0.063 0.000 0.945 383 T CA -0.373 61.757 62.100 0.050 0.000 1.030 383 T CB 0.491 69.389 68.868 0.050 0.000 0.912 383 T HN 0.283 nan 8.240 nan 0.000 0.483 384 L N 4.905 126.151 121.223 0.038 0.000 2.315 384 L HA 0.422 4.762 4.340 -0.000 0.000 0.283 384 L C 1.128 178.025 176.870 0.045 0.000 1.089 384 L CA -0.408 54.468 54.840 0.060 0.000 0.833 384 L CB 0.120 42.213 42.059 0.058 0.000 1.170 384 L HN 0.754 nan 8.230 nan 0.000 0.442 385 T N -0.530 114.052 114.554 0.047 0.000 2.864 385 T HA 0.639 4.988 4.350 -0.000 0.000 0.289 385 T C 0.943 175.660 174.700 0.030 0.000 1.082 385 T CA -0.106 62.013 62.100 0.032 0.000 1.009 385 T CB 1.738 70.623 68.868 0.029 0.000 1.234 385 T HN 0.416 nan 8.240 nan 0.000 0.526 386 A N 1.675 124.507 122.820 0.021 0.000 1.859 386 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 386 A C 1.850 179.446 177.584 0.020 0.000 1.242 386 A CA 2.830 54.878 52.037 0.018 0.000 0.661 386 A CB -1.768 17.240 19.000 0.014 0.000 0.842 386 A HN 1.031 nan 8.150 nan 0.000 0.455 387 D N -0.375 120.035 120.400 0.017 0.000 2.144 387 D HA -0.086 4.553 4.640 -0.000 0.000 0.199 387 D C 1.628 177.939 176.300 0.018 0.000 0.984 387 D CA 1.338 55.349 54.000 0.019 0.000 0.834 387 D CB -1.038 39.768 40.800 0.010 0.000 0.955 387 D HN 0.234 nan 8.370 nan 0.000 0.465 388 V N 0.562 120.477 119.914 0.002 0.000 2.255 388 V HA -0.305 3.814 4.120 -0.000 0.000 0.247 388 V C 2.667 178.776 176.094 0.026 0.000 1.051 388 V CA 1.988 64.277 62.300 -0.019 0.000 1.018 388 V CB -0.619 31.217 31.823 0.023 0.000 0.641 388 V HN 0.183 nan 8.190 nan 0.000 0.445 389 M N 0.913 120.540 119.600 0.045 0.000 2.080 389 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 389 M C 2.468 178.772 176.300 0.007 0.000 1.068 389 M CA 2.348 57.671 55.300 0.039 0.000 1.109 389 M CB -0.570 32.056 32.600 0.045 0.000 1.342 389 M HN 0.593 nan 8.290 nan 0.000 0.405 390 S N -0.607 115.101 115.700 0.014 0.000 2.440 390 S HA -0.204 4.266 4.470 -0.000 0.000 0.238 390 S C 1.709 176.305 174.600 -0.007 0.000 1.010 390 S CA 0.983 59.182 58.200 -0.001 0.000 0.972 390 S CB -0.806 62.400 63.200 0.010 0.000 0.774 390 S HN 0.571 nan 8.310 nan 0.000 0.501 391 Y N 2.401 122.634 120.300 -0.112 0.000 2.138 391 Y HA 0.161 4.711 4.550 -0.000 0.000 0.286 391 Y C 2.072 177.858 175.900 -0.190 0.000 1.115 391 Y CA 1.339 59.352 58.100 -0.146 0.000 1.105 391 Y CB -0.382 37.944 38.460 -0.224 0.000 1.004 391 Y HN 0.184 nan 8.280 nan 0.000 0.494 392 I N 0.537 121.043 120.570 -0.106 0.000 2.530 392 I HA -0.302 3.867 4.170 -0.000 0.000 0.257 392 I C 2.225 178.157 176.117 -0.308 0.000 1.179 392 I CA 1.595 62.740 61.300 -0.258 0.000 1.440 392 I CB -0.551 37.342 38.000 -0.177 0.000 1.087 392 I HN 0.367 nan 8.210 nan 0.000 0.440 393 Q N 1.437 121.111 119.800 -0.209 0.000 2.016 393 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 393 Q C 2.310 178.182 176.000 -0.213 0.000 0.978 393 Q CA 2.369 58.061 55.803 -0.185 0.000 0.833 393 Q CB -0.113 28.559 28.738 -0.110 0.000 0.895 393 Q HN 0.389 nan 8.270 nan 0.000 0.427 394 S N 0.178 115.745 115.700 -0.222 0.000 2.382 394 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 394 S C 1.810 176.245 174.600 -0.275 0.000 1.027 394 S CA 1.374 59.451 58.200 -0.204 0.000 0.991 394 S CB -0.388 62.708 63.200 -0.174 0.000 0.823 394 S HN 0.491 nan 8.310 nan 0.000 0.469 395 M N 1.190 120.504 119.600 -0.476 0.000 2.066 395 M HA -0.067 4.413 4.480 -0.000 0.000 0.259 395 M C 0.428 176.353 176.300 -0.625 0.000 1.074 395 M CA 1.564 56.408 55.300 -0.761 0.000 1.114 395 M CB 0.039 32.065 32.600 -0.957 0.000 1.306 395 M HN 0.282 nan 8.290 nan 0.000 0.411 396 N N -0.454 117.940 118.700 -0.510 0.000 2.875 396 N HA 0.069 4.809 4.740 -0.000 0.000 0.253 396 N C 0.354 175.668 175.510 -0.327 0.000 1.296 396 N CA 0.208 53.029 53.050 -0.382 0.000 0.816 396 N CB 0.933 39.184 38.487 -0.394 0.000 1.504 396 N HN 0.282 nan 8.380 nan 0.000 0.582 397 S N 0.903 116.455 115.700 -0.247 0.000 2.402 397 S HA -0.232 4.238 4.470 -0.000 0.000 0.233 397 S C 1.858 176.323 174.600 -0.224 0.000 1.030 397 S CA 1.762 59.833 58.200 -0.216 0.000 1.003 397 S CB -0.436 62.672 63.200 -0.154 0.000 0.813 397 S HN 0.617 nan 8.310 nan 0.000 0.477 398 S N 1.734 117.326 115.700 -0.180 0.000 2.507 398 S HA 0.116 4.586 4.470 -0.000 0.000 0.235 398 S C 1.686 176.100 174.600 -0.309 0.000 0.988 398 S CA 0.729 58.843 58.200 -0.142 0.000 0.944 398 S CB -0.877 62.330 63.200 0.011 0.000 0.762 398 S HN 0.604 nan 8.310 nan 0.000 0.526 399 I N 1.030 121.352 120.570 -0.413 0.000 2.252 399 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 399 I C 2.162 177.664 176.117 -1.026 0.000 1.102 399 I CA 1.214 62.044 61.300 -0.783 0.000 1.385 399 I CB -0.309 37.197 38.000 -0.824 0.000 1.064 399 I HN 0.309 nan 8.210 nan 0.000 0.414 400 L N 0.027 120.851 121.223 -0.665 0.000 2.313 400 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 400 L C 2.324 179.032 176.870 -0.271 0.000 1.119 400 L CA 0.740 55.309 54.840 -0.452 0.000 0.809 400 L CB -0.343 41.606 42.059 -0.183 0.000 0.933 400 L HN 0.213 nan 8.230 nan 0.000 0.449 401 E N 0.267 120.297 120.200 -0.283 0.000 2.072 401 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 401 E C 1.488 178.008 176.600 -0.133 0.000 0.985 401 E CA 1.225 57.531 56.400 -0.157 0.000 0.801 401 E CB 0.210 29.829 29.700 -0.135 0.000 0.750 401 E HN 0.385 nan 8.360 nan 0.000 0.452 402 D N -0.595 119.654 120.400 -0.252 0.000 2.219 402 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 402 D C 0.964 177.285 176.300 0.034 0.000 0.970 402 D CA 0.604 54.504 54.000 -0.166 0.000 0.851 402 D CB -0.148 40.465 40.800 -0.312 0.000 0.943 402 D HN 0.355 nan 8.370 nan 0.000 0.488 403 W N 1.776 123.032 121.300 -0.074 0.000 3.077 403 W HA 0.122 4.782 4.660 -0.000 0.000 0.245 403 W C 0.481 176.982 176.519 -0.029 0.000 1.316 403 W CA -0.306 57.014 57.345 -0.042 0.000 1.537 403 W CB -1.244 28.199 29.460 -0.028 0.000 1.131 403 W HN -0.079 nan 8.180 nan 0.000 0.695 439 K N 1.010 121.404 120.400 -0.010 0.000 2.285 439 K HA 0.221 4.541 4.320 -0.000 0.000 0.286 439 K C -0.575 176.006 176.600 -0.032 0.000 1.072 439 K CA -0.353 55.925 56.287 -0.016 0.000 0.913 439 K CB 0.363 32.848 32.500 -0.025 0.000 1.067 439 K HN 0.339 nan 8.250 nan 0.000 0.479 440 D N 4.522 124.909 120.400 -0.021 0.000 2.264 440 D HA 0.108 4.748 4.640 -0.000 0.000 0.250 440 D C -1.550 174.680 176.300 -0.116 0.000 1.113 440 D CA -1.869 52.099 54.000 -0.053 0.000 0.871 440 D CB 1.452 42.267 40.800 0.026 0.000 1.167 440 D HN 0.243 nan 8.370 nan 0.000 0.447 441 P HA -0.090 nan 4.420 nan 0.000 0.226 441 P C 0.452 177.601 177.300 -0.253 0.000 1.153 441 P CA 0.963 63.836 63.100 -0.378 0.000 0.777 441 P CB -0.078 31.256 31.700 -0.610 0.000 0.794 442 Y N -0.922 119.436 120.300 0.096 0.000 2.485 442 Y HA 0.148 4.697 4.550 -0.000 0.000 0.260 442 Y C 1.484 177.475 175.900 0.152 0.000 1.173 442 Y CA -0.611 57.597 58.100 0.179 0.000 1.252 442 Y CB -0.207 38.481 38.460 0.381 0.000 1.123 442 Y HN -0.137 nan 8.280 nan 0.000 0.524 443 D N 0.628 121.141 120.400 0.189 0.000 2.351 443 D HA -0.114 4.526 4.640 -0.000 0.000 0.216 443 D C 1.670 178.007 176.300 0.061 0.000 0.968 443 D CA 0.976 55.046 54.000 0.118 0.000 0.899 443 D CB 0.154 40.993 40.800 0.066 0.000 0.907 443 D HN 0.267 nan 8.370 nan 0.000 0.514 444 K N -0.238 120.190 120.400 0.047 0.000 2.314 444 K HA 0.103 4.423 4.320 -0.000 0.000 0.198 444 K C 0.875 177.436 176.600 -0.064 0.000 1.045 444 K CA 0.116 56.401 56.287 -0.003 0.000 0.988 444 K CB 0.614 33.114 32.500 -0.000 0.000 0.783 444 K HN 0.207 nan 8.250 nan 0.000 0.484 445 L N 2.318 123.475 121.223 -0.111 0.000 2.350 445 L HA 0.175 4.515 4.340 -0.000 0.000 0.275 445 L C 0.406 176.943 176.870 -0.556 0.000 1.099 445 L CA -0.784 53.850 54.840 -0.343 0.000 0.808 445 L CB 0.669 42.459 42.059 -0.448 0.000 1.149 445 L HN -0.201 nan 8.230 nan 0.000 0.442 446 K N 3.333 123.425 120.400 -0.513 0.000 2.322 446 K HA 0.472 4.792 4.320 -0.000 0.000 0.283 446 K C -0.872 175.419 176.600 -0.516 0.000 1.042 446 K CA 0.377 56.432 56.287 -0.387 0.000 0.958 446 K CB 0.560 32.941 32.500 -0.198 0.000 0.984 446 K HN 0.316 nan 8.250 nan 0.000 0.473 447 F N 0.518 120.500 119.950 0.052 0.000 2.631 447 F HA 0.202 4.729 4.527 -0.000 0.000 0.308 447 F C -0.343 175.524 175.800 0.112 0.000 1.097 447 F CA -1.286 56.758 58.000 0.073 0.000 0.952 447 F CB 1.491 40.550 39.000 0.098 0.000 1.307 447 F HN 0.398 nan 8.300 nan 0.000 0.450 448 W N 4.970 126.322 121.300 0.087 0.000 2.416 448 W HA 0.276 4.936 4.660 -0.000 0.000 0.318 448 W C -0.962 175.617 176.519 0.099 0.000 1.150 448 W CA -0.917 56.443 57.345 0.026 0.000 1.392 448 W CB 0.274 29.651 29.460 -0.140 0.000 1.311 448 W HN 0.430 nan 8.180 nan 0.000 0.436 449 N N 4.844 123.833 118.700 0.481 0.000 2.458 449 N HA 0.168 4.908 4.740 -0.000 0.000 0.270 449 N C -1.029 174.679 175.510 0.329 0.000 1.102 449 N CA -0.044 53.195 53.050 0.314 0.000 0.967 449 N CB 2.009 40.615 38.487 0.197 0.000 1.078 449 N HN 0.077 nan 8.380 nan 0.000 0.471 450 V N 2.243 122.268 119.914 0.185 0.000 2.349 450 V HA 0.088 4.208 4.120 -0.000 0.000 0.284 450 V C -0.100 176.032 176.094 0.062 0.000 1.014 450 V CA -0.868 61.514 62.300 0.138 0.000 0.826 450 V CB 1.609 33.472 31.823 0.066 0.000 1.009 450 V HN 0.532 nan 8.190 nan 0.000 0.431 451 D N 5.109 125.554 120.400 0.074 0.000 2.380 451 D HA 0.307 4.947 4.640 -0.000 0.000 0.230 451 D C 0.370 176.694 176.300 0.040 0.000 1.154 451 D CA -0.145 53.879 54.000 0.039 0.000 0.859 451 D CB 1.505 42.336 40.800 0.051 0.000 1.045 451 D HN 0.491 nan 8.370 nan 0.000 0.495 452 L N 3.739 124.973 121.223 0.018 0.000 2.818 452 L HA 0.176 4.516 4.340 -0.000 0.000 0.243 452 L C 1.877 178.790 176.870 0.072 0.000 1.185 452 L CA -0.230 54.655 54.840 0.074 0.000 0.988 452 L CB 0.173 42.297 42.059 0.108 0.000 1.292 452 L HN 0.137 nan 8.230 nan 0.000 0.519 453 K N 0.440 120.829 120.400 -0.017 0.000 2.152 453 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 453 K C 0.791 177.405 176.600 0.022 0.000 1.048 453 K CA 0.943 57.178 56.287 -0.087 0.000 0.933 453 K CB 0.104 32.568 32.500 -0.059 0.000 0.721 453 K HN 0.189 nan 8.250 nan 0.000 0.447 454 E N 0.683 120.937 120.200 0.090 0.000 2.405 454 E HA 0.080 4.430 4.350 -0.000 0.000 0.214 454 E C 0.108 176.816 176.600 0.179 0.000 1.101 454 E CA 0.167 56.649 56.400 0.136 0.000 1.254 454 E CB 0.581 30.346 29.700 0.109 0.000 1.240 454 E HN 0.215 nan 8.360 nan 0.000 0.439 455 K N -0.116 120.429 120.400 0.241 0.000 2.585 455 K HA 0.167 4.487 4.320 -0.000 0.000 0.210 455 K C -0.012 176.769 176.600 0.302 0.000 1.294 455 K CA -0.283 56.147 56.287 0.238 0.000 1.025 455 K CB 0.733 33.331 32.500 0.162 0.000 1.076 455 K HN -0.049 nan 8.250 nan 0.000 0.613 456 F N 1.947 121.949 119.950 0.086 0.000 2.456 456 F HA 0.208 4.735 4.527 -0.000 0.000 0.358 456 F C 0.929 176.930 175.800 0.335 0.000 1.095 456 F CA -0.074 58.013 58.000 0.145 0.000 1.216 456 F CB 1.240 40.230 39.000 -0.018 0.000 1.125 456 F HN -0.235 nan 8.300 nan 0.000 0.549 457 S N 3.481 119.427 115.700 0.410 0.000 2.566 457 S HA 0.552 5.022 4.470 -0.000 0.000 0.298 457 S C 0.566 175.314 174.600 0.247 0.000 1.083 457 S CA -0.692 57.723 58.200 0.358 0.000 0.978 457 S CB 1.055 64.404 63.200 0.247 0.000 1.073 457 S HN 0.672 nan 8.310 nan 0.000 0.491 458 L N 1.471 122.743 121.223 0.083 0.000 2.477 458 L HA 0.191 4.531 4.340 -0.000 0.000 0.220 458 L C -0.270 176.587 176.870 -0.020 0.000 1.106 458 L CA 0.331 55.064 54.840 -0.179 0.000 0.851 458 L CB -0.068 41.843 42.059 -0.246 0.000 0.994 458 L HN 0.634 nan 8.230 nan 0.000 0.462 459 D N 0.258 120.707 120.400 0.080 0.000 2.456 459 D HA 0.173 4.812 4.640 -0.000 0.000 0.219 459 D C 1.056 177.449 176.300 0.155 0.000 1.126 459 D CA -0.255 53.798 54.000 0.089 0.000 0.890 459 D CB 0.648 41.483 40.800 0.058 0.000 1.025 459 D HN 0.012 nan 8.370 nan 0.000 0.511 460 L N 0.866 122.175 121.223 0.143 0.000 2.093 460 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 460 L C 1.919 178.890 176.870 0.169 0.000 1.085 460 L CA 1.076 56.033 54.840 0.195 0.000 0.755 460 L CB -0.508 41.668 42.059 0.196 0.000 0.904 460 L HN 0.341 nan 8.230 nan 0.000 0.435 461 D N -0.074 120.381 120.400 0.093 0.000 2.220 461 D HA -0.259 4.380 4.640 -0.000 0.000 0.198 461 D C 2.113 178.396 176.300 -0.028 0.000 1.001 461 D CA 1.182 55.203 54.000 0.035 0.000 0.875 461 D CB 0.127 40.935 40.800 0.014 0.000 0.921 461 D HN 0.218 nan 8.370 nan 0.000 0.454 462 Q N -1.058 118.685 119.800 -0.095 0.000 2.472 462 Q HA 0.020 4.360 4.340 -0.000 0.000 0.208 462 Q C -0.564 175.056 176.000 -0.632 0.000 0.958 462 Q CA 0.553 56.133 55.803 -0.371 0.000 0.932 462 Q CB 0.233 28.659 28.738 -0.519 0.000 1.007 462 Q HN 0.513 nan 8.270 nan 0.000 0.508 463 Y N -0.759 119.458 120.300 -0.138 0.000 2.477 463 Y HA 0.238 4.788 4.550 -0.000 0.000 0.347 463 Y C -1.578 174.303 175.900 -0.032 0.000 0.981 463 Y CA -2.495 55.502 58.100 -0.172 0.000 1.033 463 Y CB 1.445 39.567 38.460 -0.563 0.000 1.245 463 Y HN -0.157 nan 8.280 nan 0.000 0.455 464 P HA -0.303 nan 4.420 nan 0.000 0.205 464 P C 1.851 179.243 177.300 0.153 0.000 1.046 464 P CA 1.608 64.772 63.100 0.107 0.000 0.968 464 P CB 0.416 32.163 31.700 0.078 0.000 0.753 465 L N -0.758 120.563 121.223 0.164 0.000 2.123 465 L HA -0.229 4.111 4.340 -0.000 0.000 0.217 465 L C 2.584 179.634 176.870 0.301 0.000 1.081 465 L CA 2.374 57.311 54.840 0.162 0.000 0.772 465 L CB -1.308 40.755 42.059 0.006 0.000 0.890 465 L HN 0.142 nan 8.230 nan 0.000 0.437 466 G N -0.865 108.132 108.800 0.329 0.000 2.414 466 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 466 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 466 G C 1.568 176.618 174.900 0.250 0.000 1.188 466 G CA 0.593 45.877 45.100 0.308 0.000 0.783 466 G HN 0.343 nan 8.290 nan 0.000 0.537 467 R N 0.543 121.146 120.500 0.171 0.000 2.083 467 R HA -0.038 4.302 4.340 -0.000 0.000 0.237 467 R C 2.638 178.996 176.300 0.097 0.000 1.137 467 R CA 1.528 57.688 56.100 0.100 0.000 0.951 467 R CB -0.275 30.058 30.300 0.055 0.000 0.851 467 R HN 0.287 nan 8.270 nan 0.000 0.434 468 K N -0.014 120.483 120.400 0.162 0.000 2.063 468 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 468 K C 1.874 178.546 176.600 0.121 0.000 1.048 468 K CA 1.552 57.958 56.287 0.198 0.000 0.928 468 K CB -0.313 32.380 32.500 0.321 0.000 0.713 468 K HN 0.079 nan 8.250 nan 0.000 0.442 469 F N 1.739 121.714 119.950 0.042 0.000 2.126 469 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 469 F C 1.677 177.238 175.800 -0.398 0.000 1.096 469 F CA 1.345 59.123 58.000 -0.369 0.000 1.255 469 F CB -0.193 38.726 39.000 -0.135 0.000 0.997 469 F HN -0.094 nan 8.300 nan 0.000 0.479 470 L N -0.765 120.319 121.223 -0.232 0.000 2.083 470 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 470 L C 2.350 179.018 176.870 -0.336 0.000 1.083 470 L CA 0.933 55.591 54.840 -0.303 0.000 0.752 470 L CB -0.785 41.224 42.059 -0.084 0.000 0.899 470 L HN 0.040 nan 8.230 nan 0.000 0.433 471 V N -0.290 119.476 119.914 -0.247 0.000 2.233 471 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 471 V C 2.464 178.364 176.094 -0.325 0.000 1.050 471 V CA 2.146 64.317 62.300 -0.215 0.000 1.010 471 V CB -0.759 30.989 31.823 -0.125 0.000 0.637 471 V HN 0.564 nan 8.190 nan 0.000 0.444 472 Q N 0.192 119.709 119.800 -0.472 0.000 2.368 472 Q HA -0.184 4.156 4.340 -0.000 0.000 0.210 472 Q C 1.979 177.634 176.000 -0.575 0.000 0.982 472 Q CA 1.843 57.313 55.803 -0.555 0.000 0.884 472 Q CB -0.154 28.043 28.738 -0.901 0.000 0.933 472 Q HN 0.658 nan 8.270 nan 0.000 0.460 473 A N -0.864 121.557 122.820 -0.666 0.000 2.132 473 A HA 0.309 4.629 4.320 -0.000 0.000 0.213 473 A C 1.637 179.011 177.584 -0.350 0.000 1.154 473 A CA 1.338 53.017 52.037 -0.597 0.000 0.753 473 A CB -0.025 18.512 19.000 -0.771 0.000 0.826 473 A HN 0.583 nan 8.150 nan 0.000 0.469 474 G N -0.536 108.088 108.800 -0.294 0.000 2.850 474 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.207 474 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.207 474 G C 0.522 175.328 174.900 -0.157 0.000 1.302 474 G CA -0.095 44.891 45.100 -0.189 0.000 0.832 474 G HN 1.059 nan 8.290 nan 0.000 0.543 475 L N 0.000 121.128 121.223 -0.158 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.774 54.840 -0.110 0.000 0.813 475 L CB 0.000 42.007 42.059 -0.086 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502