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 2o0z_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTWPAPTAP TPVRATVTVP GSKSQTNRAL VLAALAAAQG RGASTISGAL DATA SEQUENCE RSRDTELMLD ALQTLGLRVD GVGSELTVSG RIEPGPGARV DCGLAGTVLR DATA SEQUENCE FVPPLAALGS VPVTFDGDQQ ARGRPIAPLL DALRELGVAV DGTGLPFRVR DATA SEQUENCE GNGSLAGGTV AIDASASSQF VSGLLLSAAS FTDGLTVQHT GSSLPSAPHI DATA SEQUENCE AMTAAMLRQA GVDIDDSTPN RWQVRPGPVA ARRWDIEPDL TNAVAFLSAA DATA SEQUENCE VVSGGTVRIT GWPRVSVQPA DHILAILRQL NAVVIHADSS LEVRGPTGYD DATA SEQUENCE GFDVDLRAVG ELTPSVAALA ALASPGSVSR LSGIAHLRGH ETDRLAALST DATA SEQUENCE EINRLGGTCR ETPDGLVITA TPLRPGIWRA YADHRMAMAG AIIGLRVAGV DATA SEQUENCE EVDDIAATTK TLPEFPRLWA EMVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.324 176.300 0.039 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 K N 2.586 123.017 120.400 0.051 0.000 2.355 2 K HA 0.330 4.646 4.320 -0.007 0.000 0.270 2 K C 0.078 176.735 176.600 0.094 0.000 1.003 2 K CA 0.428 56.754 56.287 0.065 0.000 0.957 2 K CB 0.907 33.449 32.500 0.069 0.000 0.939 2 K HN 0.761 nan 8.250 nan 0.000 0.482 3 T N 0.365 114.978 114.554 0.098 0.000 2.766 3 T HA 0.081 4.427 4.350 -0.007 0.000 0.295 3 T C -0.529 174.300 174.700 0.216 0.000 1.024 3 T CA -0.569 61.617 62.100 0.143 0.000 1.018 3 T CB 0.455 69.391 68.868 0.114 0.000 1.002 3 T HN 0.679 nan 8.240 nan 0.000 0.532 4 W N 3.560 124.889 121.300 0.048 0.000 2.411 4 W HA 0.495 5.150 4.660 -0.007 0.000 0.317 4 W C -2.643 173.908 176.519 0.053 0.000 1.030 4 W CA -3.039 54.337 57.345 0.053 0.000 1.239 4 W CB 1.530 31.026 29.460 0.060 0.000 1.304 4 W HN 0.522 nan 8.180 nan 0.000 0.437 5 P HA 0.166 nan 4.420 nan 0.000 0.276 5 P C -0.431 176.311 177.300 -0.930 0.000 1.264 5 P CA 0.124 62.955 63.100 -0.449 0.000 0.769 5 P CB 0.870 32.390 31.700 -0.301 0.000 0.840 6 A N 7.147 129.585 122.820 -0.638 0.000 2.438 6 A HA 0.392 4.708 4.320 -0.007 0.000 0.280 6 A C -1.898 175.516 177.584 -0.283 0.000 1.160 6 A CA -1.275 50.406 52.037 -0.594 0.000 0.821 6 A CB -0.888 18.030 19.000 -0.136 0.000 1.101 6 A HN 0.384 nan 8.150 nan 0.000 0.515 7 P HA 0.189 nan 4.420 nan 0.000 0.271 7 P C 0.354 177.661 177.300 0.011 0.000 1.216 7 P CA 0.121 63.174 63.100 -0.078 0.000 0.771 7 P CB 0.659 32.341 31.700 -0.029 0.000 0.864 8 T N -0.967 113.577 114.554 -0.017 0.000 2.899 8 T HA 0.605 4.951 4.350 -0.007 0.000 0.284 8 T C 0.126 174.821 174.700 -0.009 0.000 1.004 8 T CA -0.840 61.259 62.100 -0.000 0.000 1.043 8 T CB 0.819 69.681 68.868 -0.011 0.000 1.013 8 T HN 0.405 nan 8.240 nan 0.000 0.518 9 A N 2.848 125.666 122.820 -0.003 0.000 2.664 9 A HA 0.554 4.870 4.320 -0.007 0.000 0.338 9 A C -1.391 176.186 177.584 -0.011 0.000 1.280 9 A CA -1.517 50.509 52.037 -0.018 0.000 0.809 9 A CB 0.440 19.425 19.000 -0.025 0.000 1.114 9 A HN 0.737 nan 8.150 nan 0.000 0.479 10 P HA -0.003 nan 4.420 nan 0.000 0.233 10 P C 0.413 177.707 177.300 -0.011 0.000 1.167 10 P CA 1.209 64.303 63.100 -0.011 0.000 0.770 10 P CB 0.064 31.756 31.700 -0.013 0.000 0.837 11 T N -4.523 110.022 114.554 -0.015 0.000 2.883 11 T HA 0.499 4.845 4.350 -0.007 0.000 0.301 11 T C -3.261 171.428 174.700 -0.019 0.000 1.158 11 T CA -2.625 59.466 62.100 -0.015 0.000 1.007 11 T CB 1.003 69.861 68.868 -0.017 0.000 1.186 11 T HN -0.336 nan 8.240 nan 0.000 0.499 12 P HA 0.113 nan 4.420 nan 0.000 0.255 12 P C -0.111 177.169 177.300 -0.033 0.000 1.161 12 P CA -0.134 62.955 63.100 -0.018 0.000 0.768 12 P CB -0.032 31.659 31.700 -0.015 0.000 0.746 13 V N 6.094 125.982 119.914 -0.044 0.000 2.673 13 V HA 0.047 4.163 4.120 -0.007 0.000 0.303 13 V C 1.047 177.106 176.094 -0.059 0.000 1.046 13 V CA 0.567 62.825 62.300 -0.069 0.000 1.126 13 V CB -0.028 31.731 31.823 -0.106 0.000 0.934 13 V HN 0.471 nan 8.190 nan 0.000 0.487 14 R N 2.864 123.327 120.500 -0.061 0.000 2.500 14 R HA 0.756 5.092 4.340 -0.007 0.000 0.299 14 R C -0.770 175.498 176.300 -0.053 0.000 1.038 14 R CA -0.096 55.974 56.100 -0.050 0.000 0.903 14 R CB 1.996 32.273 30.300 -0.039 0.000 1.177 14 R HN 0.931 nan 8.270 nan 0.000 0.455 15 A N 1.341 124.131 122.820 -0.051 0.000 2.608 15 A HA 0.614 4.930 4.320 -0.007 0.000 0.292 15 A C -1.144 176.412 177.584 -0.046 0.000 1.066 15 A CA -0.708 51.298 52.037 -0.051 0.000 0.676 15 A CB 2.037 20.999 19.000 -0.064 0.000 1.277 15 A HN 0.404 nan 8.150 nan 0.000 0.413 16 T N 1.403 115.930 114.554 -0.046 0.000 2.772 16 T HA 0.572 4.918 4.350 -0.007 0.000 0.288 16 T C -0.646 174.013 174.700 -0.070 0.000 0.994 16 T CA -0.256 61.815 62.100 -0.047 0.000 0.951 16 T CB 0.884 69.731 68.868 -0.036 0.000 0.933 16 T HN 0.686 nan 8.240 nan 0.000 0.447 17 V N 3.495 123.350 119.914 -0.099 0.000 2.555 17 V HA 0.487 4.603 4.120 -0.007 0.000 0.302 17 V C 0.293 176.284 176.094 -0.172 0.000 1.038 17 V CA -0.827 61.358 62.300 -0.193 0.000 0.887 17 V CB 2.096 33.694 31.823 -0.375 0.000 0.991 17 V HN 0.870 nan 8.190 nan 0.000 0.434 18 T N 4.473 118.928 114.554 -0.165 0.000 2.743 18 T HA 0.506 4.852 4.350 -0.007 0.000 0.292 18 T C -0.171 174.438 174.700 -0.152 0.000 0.972 18 T CA -0.287 61.746 62.100 -0.111 0.000 0.967 18 T CB 1.102 69.935 68.868 -0.058 0.000 0.926 18 T HN 0.690 nan 8.240 nan 0.000 0.459 19 V N 3.283 123.123 119.914 -0.123 0.000 2.612 19 V HA 0.798 4.914 4.120 -0.007 0.000 0.301 19 V C -2.215 173.870 176.094 -0.015 0.000 1.046 19 V CA -2.340 59.908 62.300 -0.088 0.000 0.946 19 V CB 1.105 32.900 31.823 -0.047 0.000 1.003 19 V HN 0.563 nan 8.190 nan 0.000 0.459 20 P HA 0.337 nan 4.420 nan 0.000 0.293 20 P C 0.392 177.704 177.300 0.019 0.000 1.304 20 P CA -0.001 63.111 63.100 0.021 0.000 0.767 20 P CB 0.545 32.267 31.700 0.036 0.000 1.247 21 G N -0.228 108.581 108.800 0.015 0.000 2.630 21 G HA2 0.185 4.141 3.960 -0.007 0.000 0.236 21 G HA3 0.185 4.141 3.960 -0.007 0.000 0.236 21 G C 0.099 175.004 174.900 0.009 0.000 1.248 21 G CA -0.184 44.920 45.100 0.007 0.000 0.844 21 G HN 0.539 nan 8.290 nan 0.000 0.588 22 S N -0.263 115.435 115.700 -0.003 0.000 2.549 22 S HA 0.101 4.567 4.470 -0.007 0.000 0.279 22 S C 1.528 176.132 174.600 0.008 0.000 1.321 22 S CA -0.332 57.867 58.200 -0.001 0.000 1.054 22 S CB 1.137 64.324 63.200 -0.021 0.000 0.899 22 S HN 0.679 nan 8.310 nan 0.000 0.497 23 K N 3.403 123.814 120.400 0.019 0.000 2.031 23 K HA -0.047 4.269 4.320 -0.007 0.000 0.205 23 K C 1.949 178.558 176.600 0.015 0.000 1.049 23 K CA 1.698 57.989 56.287 0.006 0.000 0.939 23 K CB -0.809 31.691 32.500 -0.001 0.000 0.717 23 K HN 0.666 nan 8.250 nan 0.000 0.438 24 S N 1.452 117.183 115.700 0.052 0.000 2.359 24 S HA -0.193 4.273 4.470 -0.007 0.000 0.224 24 S C 2.000 176.641 174.600 0.068 0.000 1.035 24 S CA 1.496 59.758 58.200 0.104 0.000 1.018 24 S CB -0.246 63.077 63.200 0.205 0.000 0.876 24 S HN 0.433 nan 8.310 nan 0.000 0.448 25 Q N 0.324 120.138 119.800 0.023 0.000 2.046 25 Q HA -0.124 4.211 4.340 -0.007 0.000 0.200 25 Q C 2.092 178.057 176.000 -0.059 0.000 0.975 25 Q CA 1.653 57.445 55.803 -0.019 0.000 0.836 25 Q CB -0.314 28.418 28.738 -0.009 0.000 0.896 25 Q HN 0.478 nan 8.270 nan 0.000 0.428 26 T N 1.298 115.831 114.554 -0.035 0.000 2.720 26 T HA -0.128 4.217 4.350 -0.007 0.000 0.268 26 T C 1.452 176.110 174.700 -0.070 0.000 1.037 26 T CA 1.536 63.605 62.100 -0.052 0.000 1.144 26 T CB -0.248 68.606 68.868 -0.024 0.000 0.864 26 T HN 0.293 nan 8.240 nan 0.000 0.444 27 N N 0.385 119.070 118.700 -0.024 0.000 2.409 27 N HA 0.086 4.822 4.740 -0.007 0.000 0.179 27 N C 1.953 177.484 175.510 0.034 0.000 1.032 27 N CA 0.483 53.540 53.050 0.012 0.000 0.898 27 N CB -0.105 38.398 38.487 0.027 0.000 0.971 27 N HN 0.355 nan 8.380 nan 0.000 0.441 28 R N 0.348 120.835 120.500 -0.021 0.000 2.073 28 R HA 0.118 4.454 4.340 -0.007 0.000 0.229 28 R C 2.102 178.171 176.300 -0.385 0.000 1.120 28 R CA 1.193 57.197 56.100 -0.160 0.000 0.967 28 R CB -0.241 29.950 30.300 -0.183 0.000 0.862 28 R HN 0.126 nan 8.270 nan 0.000 0.436 29 A N 1.055 123.568 122.820 -0.510 0.000 1.940 29 A HA -0.147 4.169 4.320 -0.007 0.000 0.219 29 A C 2.119 179.380 177.584 -0.538 0.000 1.176 29 A CA 1.222 52.713 52.037 -0.911 0.000 0.631 29 A CB -0.537 18.024 19.000 -0.731 0.000 0.814 29 A HN 0.187 nan 8.150 nan 0.000 0.446 30 L N -0.719 120.348 121.223 -0.259 0.000 2.027 30 L HA -0.156 4.180 4.340 -0.007 0.000 0.206 30 L C 2.553 179.365 176.870 -0.095 0.000 1.074 30 L CA 1.106 55.870 54.840 -0.126 0.000 0.745 30 L CB -0.537 41.487 42.059 -0.058 0.000 0.898 30 L HN 0.250 nan 8.230 nan 0.000 0.433 31 V N 0.114 119.974 119.914 -0.090 0.000 2.295 31 V HA -0.289 3.826 4.120 -0.007 0.000 0.246 31 V C 2.342 178.382 176.094 -0.091 0.000 1.049 31 V CA 1.713 63.978 62.300 -0.057 0.000 1.024 31 V CB -0.396 31.399 31.823 -0.047 0.000 0.648 31 V HN 0.346 nan 8.190 nan 0.000 0.447 32 L N -0.015 121.100 121.223 -0.179 0.000 2.093 32 L HA -0.081 4.255 4.340 -0.007 0.000 0.208 32 L C 2.715 179.594 176.870 0.015 0.000 1.085 32 L CA 1.304 56.083 54.840 -0.103 0.000 0.755 32 L CB -0.802 41.163 42.059 -0.157 0.000 0.904 32 L HN 0.343 nan 8.230 nan 0.000 0.435 33 A N 0.299 123.113 122.820 -0.011 0.000 1.902 33 A HA -0.173 4.143 4.320 -0.007 0.000 0.217 33 A C 2.568 180.188 177.584 0.060 0.000 1.181 33 A CA 1.721 53.817 52.037 0.099 0.000 0.623 33 A CB -0.652 18.402 19.000 0.090 0.000 0.818 33 A HN 0.387 nan 8.150 nan 0.000 0.443 34 A N -0.201 122.632 122.820 0.022 0.000 1.883 34 A HA -0.084 4.231 4.320 -0.007 0.000 0.217 34 A C 2.177 179.781 177.584 0.034 0.000 1.186 34 A CA 1.623 53.677 52.037 0.027 0.000 0.624 34 A CB -0.688 18.325 19.000 0.022 0.000 0.822 34 A HN 0.465 nan 8.150 nan 0.000 0.444 35 L N -0.687 120.552 121.223 0.026 0.000 2.046 35 L HA -0.211 4.124 4.340 -0.007 0.000 0.208 35 L C 3.112 180.005 176.870 0.038 0.000 1.077 35 L CA 1.237 56.093 54.840 0.027 0.000 0.747 35 L CB -0.558 41.504 42.059 0.004 0.000 0.896 35 L HN 0.438 nan 8.230 nan 0.000 0.432 36 A N -0.065 122.788 122.820 0.055 0.000 1.865 36 A HA -0.229 4.087 4.320 -0.007 0.000 0.217 36 A C 2.539 180.152 177.584 0.049 0.000 1.191 36 A CA 1.999 54.073 52.037 0.061 0.000 0.623 36 A CB -0.984 18.072 19.000 0.093 0.000 0.826 36 A HN 0.404 nan 8.150 nan 0.000 0.444 37 A N -0.205 122.646 122.820 0.051 0.000 1.883 37 A HA 0.102 4.418 4.320 -0.007 0.000 0.217 37 A C 2.474 180.079 177.584 0.035 0.000 1.186 37 A CA 2.350 54.412 52.037 0.041 0.000 0.624 37 A CB -1.094 17.930 19.000 0.040 0.000 0.822 37 A HN 1.221 nan 8.150 nan 0.000 0.444 38 A N -1.281 121.561 122.820 0.036 0.000 2.121 38 A HA -0.117 4.199 4.320 -0.007 0.000 0.218 38 A C 1.970 179.574 177.584 0.034 0.000 1.154 38 A CA 1.353 53.411 52.037 0.035 0.000 0.679 38 A CB -0.409 18.615 19.000 0.039 0.000 0.795 38 A HN 0.675 nan 8.150 nan 0.000 0.458 39 Q N -1.837 117.983 119.800 0.033 0.000 2.432 39 Q HA 0.181 4.517 4.340 -0.007 0.000 0.205 39 Q C 1.130 177.146 176.000 0.026 0.000 0.945 39 Q CA 0.476 56.297 55.803 0.030 0.000 0.924 39 Q CB 0.114 28.869 28.738 0.028 0.000 1.016 39 Q HN 0.876 nan 8.270 nan 0.000 0.503 40 G N 1.131 109.947 108.800 0.026 0.000 2.144 40 G HA2 -0.242 3.714 3.960 -0.007 0.000 0.218 40 G HA3 -0.242 3.714 3.960 -0.007 0.000 0.218 40 G C 0.623 175.536 174.900 0.021 0.000 0.988 40 G CA 0.009 45.123 45.100 0.022 0.000 0.659 40 G HN 0.237 nan 8.290 nan 0.000 0.522 41 R N 0.634 121.148 120.500 0.024 0.000 2.313 41 R HA 0.400 4.736 4.340 -0.007 0.000 0.199 41 R C 1.472 177.785 176.300 0.022 0.000 0.958 41 R CA 0.930 57.044 56.100 0.022 0.000 1.047 41 R CB 0.040 30.355 30.300 0.025 0.000 0.955 41 R HN 1.620 nan 8.270 nan 0.000 0.481 42 G N 0.522 109.338 108.800 0.025 0.000 2.549 42 G HA2 -0.079 3.876 3.960 -0.007 0.000 0.404 42 G HA3 -0.079 3.876 3.960 -0.007 0.000 0.404 42 G C -0.928 173.993 174.900 0.035 0.000 1.292 42 G CA -0.532 44.583 45.100 0.025 0.000 0.935 42 G HN 0.356 nan 8.290 nan 0.000 0.512 43 A N -0.286 122.554 122.820 0.033 0.000 2.388 43 A HA 0.770 5.086 4.320 -0.007 0.000 0.257 43 A C 0.700 178.317 177.584 0.055 0.000 1.095 43 A CA 1.009 53.071 52.037 0.042 0.000 0.791 43 A CB 0.488 19.508 19.000 0.033 0.000 1.029 43 A HN 1.874 nan 8.150 nan 0.000 0.489 44 S N 0.236 115.986 115.700 0.082 0.000 2.568 44 S HA 0.706 5.172 4.470 -0.007 0.000 0.302 44 S C -0.197 174.475 174.600 0.119 0.000 1.082 44 S CA -0.495 57.778 58.200 0.122 0.000 1.009 44 S CB 1.793 65.129 63.200 0.226 0.000 1.069 44 S HN 0.740 nan 8.310 nan 0.000 0.500 45 T N 2.059 116.691 114.554 0.129 0.000 2.829 45 T HA 0.571 4.917 4.350 -0.007 0.000 0.280 45 T C -0.579 174.234 174.700 0.188 0.000 0.999 45 T CA -0.414 61.757 62.100 0.118 0.000 0.983 45 T CB 0.478 69.387 68.868 0.068 0.000 0.968 45 T HN 0.430 nan 8.240 nan 0.000 0.446 46 I N 2.405 123.067 120.570 0.155 0.000 2.382 46 I HA 0.382 4.548 4.170 -0.007 0.000 0.285 46 I C 0.228 176.407 176.117 0.103 0.000 1.007 46 I CA -0.599 60.801 61.300 0.166 0.000 1.142 46 I CB 1.635 39.699 38.000 0.106 0.000 1.289 46 I HN 0.454 nan 8.210 nan 0.000 0.453 47 S N 4.172 119.935 115.700 0.104 0.000 2.462 47 S HA 0.603 5.069 4.470 -0.007 0.000 0.294 47 S C 0.820 175.454 174.600 0.056 0.000 1.144 47 S CA 0.378 58.617 58.200 0.065 0.000 1.088 47 S CB 1.101 64.333 63.200 0.053 0.000 1.009 47 S HN 1.053 nan 8.310 nan 0.000 0.484 48 G N 2.795 111.619 108.800 0.039 0.000 2.160 48 G HA2 -0.140 3.815 3.960 -0.007 0.000 0.251 48 G HA3 -0.140 3.815 3.960 -0.007 0.000 0.251 48 G C 0.321 175.238 174.900 0.028 0.000 1.008 48 G CA 0.040 45.158 45.100 0.030 0.000 0.724 48 G HN 1.342 nan 8.290 nan 0.000 0.514 49 A N -0.565 122.273 122.820 0.031 0.000 2.520 49 A HA 0.553 4.869 4.320 -0.007 0.000 0.235 49 A C 0.737 178.329 177.584 0.014 0.000 1.065 49 A CA 0.460 52.510 52.037 0.022 0.000 0.764 49 A CB 0.453 19.465 19.000 0.020 0.000 1.002 49 A HN 1.719 nan 8.150 nan 0.000 0.502 50 L N 2.558 123.786 121.223 0.008 0.000 2.410 50 L HA 0.330 4.666 4.340 -0.007 0.000 0.273 50 L C 0.042 176.915 176.870 0.004 0.000 1.152 50 L CA 0.305 55.150 54.840 0.009 0.000 0.855 50 L CB 0.282 42.346 42.059 0.007 0.000 1.129 50 L HN 0.587 nan 8.230 nan 0.000 0.463 51 R N 4.258 124.763 120.500 0.008 0.000 2.215 51 R HA 0.588 4.924 4.340 -0.007 0.000 0.336 51 R C -0.540 175.761 176.300 0.001 0.000 0.996 51 R CA -0.194 55.908 56.100 0.003 0.000 0.847 51 R CB 0.698 31.002 30.300 0.007 0.000 1.127 51 R HN 0.873 nan 8.270 nan 0.000 0.465 52 S N 0.478 116.171 115.700 -0.013 0.000 2.643 52 S HA 0.367 4.832 4.470 -0.007 0.000 0.270 52 S C 0.667 175.242 174.600 -0.042 0.000 1.166 52 S CA -0.981 57.205 58.200 -0.023 0.000 0.815 52 S CB 2.178 65.362 63.200 -0.028 0.000 1.139 52 S HN 0.563 nan 8.310 nan 0.000 0.472 53 R N 0.210 120.676 120.500 -0.057 0.000 2.096 53 R HA -0.114 4.222 4.340 -0.007 0.000 0.235 53 R C 0.834 177.085 176.300 -0.081 0.000 1.127 53 R CA 2.131 58.191 56.100 -0.066 0.000 0.968 53 R CB -0.748 29.507 30.300 -0.076 0.000 0.861 53 R HN 0.748 nan 8.270 nan 0.000 0.440 54 D N -0.729 119.607 120.400 -0.107 0.000 2.144 54 D HA -0.109 4.527 4.640 -0.007 0.000 0.200 54 D C 1.863 178.114 176.300 -0.082 0.000 0.978 54 D CA 1.957 55.888 54.000 -0.115 0.000 0.833 54 D CB -0.073 40.633 40.800 -0.155 0.000 0.961 54 D HN 0.426 nan 8.370 nan 0.000 0.470 55 T N -1.975 112.541 114.554 -0.063 0.000 2.985 55 T HA -0.058 4.288 4.350 -0.007 0.000 0.266 55 T C 1.826 176.505 174.700 -0.036 0.000 1.076 55 T CA 0.897 62.971 62.100 -0.044 0.000 1.135 55 T CB -0.006 68.843 68.868 -0.031 0.000 0.890 55 T HN -0.123 nan 8.240 nan 0.000 0.480 56 E N 1.249 121.427 120.200 -0.036 0.000 2.110 56 E HA 0.043 4.389 4.350 -0.007 0.000 0.193 56 E C 1.979 178.558 176.600 -0.034 0.000 0.988 56 E CA 0.814 57.195 56.400 -0.030 0.000 0.804 56 E CB -0.713 28.970 29.700 -0.029 0.000 0.745 56 E HN 0.552 nan 8.360 nan 0.000 0.458 57 L N -0.395 120.801 121.223 -0.044 0.000 2.131 57 L HA -0.172 4.163 4.340 -0.007 0.000 0.210 57 L C 2.341 179.191 176.870 -0.034 0.000 1.092 57 L CA 1.188 56.001 54.840 -0.044 0.000 0.759 57 L CB -0.257 41.769 42.059 -0.055 0.000 0.903 57 L HN 0.306 nan 8.230 nan 0.000 0.435 58 M N -0.506 119.075 119.600 -0.032 0.000 2.193 58 M HA -0.139 4.337 4.480 -0.007 0.000 0.265 58 M C 2.008 178.303 176.300 -0.009 0.000 1.071 58 M CA 1.570 56.862 55.300 -0.014 0.000 1.140 58 M CB -0.313 32.278 32.600 -0.015 0.000 1.369 58 M HN 0.159 nan 8.290 nan 0.000 0.423 59 L N -0.265 120.949 121.223 -0.016 0.000 2.079 59 L HA -0.227 4.109 4.340 -0.007 0.000 0.210 59 L C 1.347 178.208 176.870 -0.015 0.000 1.081 59 L CA 1.876 56.709 54.840 -0.012 0.000 0.752 59 L CB -0.557 41.494 42.059 -0.013 0.000 0.896 59 L HN 0.269 nan 8.230 nan 0.000 0.433 60 D N -0.175 120.211 120.400 -0.022 0.000 2.213 60 D HA -0.020 4.616 4.640 -0.007 0.000 0.205 60 D C 2.255 178.531 176.300 -0.039 0.000 0.961 60 D CA 1.161 55.143 54.000 -0.031 0.000 0.853 60 D CB 0.025 40.803 40.800 -0.037 0.000 0.967 60 D HN 0.495 nan 8.370 nan 0.000 0.496 61 A N 1.079 123.880 122.820 -0.032 0.000 1.908 61 A HA -0.132 4.184 4.320 -0.007 0.000 0.218 61 A C 2.340 179.911 177.584 -0.021 0.000 1.181 61 A CA 0.941 52.957 52.037 -0.035 0.000 0.627 61 A CB -0.762 18.243 19.000 0.008 0.000 0.818 61 A HN 0.192 nan 8.150 nan 0.000 0.445 62 L N -1.025 120.198 121.223 -0.001 0.000 2.093 62 L HA -0.223 4.113 4.340 -0.007 0.000 0.208 62 L C 2.867 179.734 176.870 -0.005 0.000 1.085 62 L CA 1.438 56.283 54.840 0.008 0.000 0.755 62 L CB -0.662 41.404 42.059 0.012 0.000 0.904 62 L HN 0.503 nan 8.230 nan 0.000 0.435 63 Q N -0.650 119.142 119.800 -0.014 0.000 2.167 63 Q HA -0.150 4.186 4.340 -0.007 0.000 0.202 63 Q C 2.157 178.139 176.000 -0.029 0.000 0.970 63 Q CA 1.737 57.529 55.803 -0.018 0.000 0.855 63 Q CB -0.133 28.593 28.738 -0.018 0.000 0.911 63 Q HN 0.461 nan 8.270 nan 0.000 0.438 64 T N 1.444 115.970 114.554 -0.046 0.000 2.833 64 T HA -0.084 4.262 4.350 -0.007 0.000 0.269 64 T C 1.683 176.347 174.700 -0.061 0.000 1.054 64 T CA 0.805 62.864 62.100 -0.068 0.000 1.135 64 T CB -0.034 68.767 68.868 -0.112 0.000 0.869 64 T HN 0.217 nan 8.240 nan 0.000 0.466 65 L N -0.287 120.912 121.223 -0.040 0.000 2.492 65 L HA 0.226 4.562 4.340 -0.007 0.000 0.223 65 L C 2.094 178.961 176.870 -0.004 0.000 1.132 65 L CA 0.755 55.585 54.840 -0.016 0.000 0.850 65 L CB -0.173 41.894 42.059 0.014 0.000 0.966 65 L HN 0.533 nan 8.230 nan 0.000 0.454 66 G N -0.597 108.199 108.800 -0.007 0.000 2.296 66 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.188 66 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.188 66 G C 0.023 174.925 174.900 0.003 0.000 1.000 66 G CA -0.582 44.517 45.100 -0.002 0.000 0.672 66 G HN 0.082 nan 8.290 nan 0.000 0.483 67 L N 0.646 121.872 121.223 0.006 0.000 2.468 67 L HA 0.704 5.040 4.340 -0.007 0.000 0.254 67 L C 0.988 177.861 176.870 0.006 0.000 1.171 67 L CA -0.684 54.162 54.840 0.010 0.000 0.809 67 L CB 0.729 42.797 42.059 0.016 0.000 1.155 67 L HN 0.243 nan 8.230 nan 0.000 0.473 68 R N 0.481 120.987 120.500 0.010 0.000 2.343 68 R HA 0.642 4.978 4.340 -0.007 0.000 0.320 68 R C -1.906 174.401 176.300 0.011 0.000 0.956 68 R CA -0.492 55.613 56.100 0.008 0.000 0.836 68 R CB 1.238 31.543 30.300 0.009 0.000 1.151 68 R HN 0.436 nan 8.270 nan 0.000 0.450 69 V N 5.033 124.952 119.914 0.008 0.000 2.376 69 V HA 0.300 4.416 4.120 -0.007 0.000 0.287 69 V C -0.621 175.478 176.094 0.009 0.000 1.015 69 V CA -0.868 61.438 62.300 0.010 0.000 0.834 69 V CB 1.404 33.230 31.823 0.006 0.000 1.001 69 V HN 0.807 nan 8.190 nan 0.000 0.428 70 D N 3.096 123.504 120.400 0.013 0.000 2.268 70 D HA 0.796 5.432 4.640 -0.007 0.000 0.249 70 D C 0.348 176.656 176.300 0.014 0.000 1.008 70 D CA 0.113 54.120 54.000 0.012 0.000 0.939 70 D CB 2.360 43.167 40.800 0.013 0.000 1.170 70 D HN 0.911 nan 8.370 nan 0.000 0.468 71 G N -0.953 107.854 108.800 0.012 0.000 2.326 71 G HA2 0.149 4.105 3.960 -0.007 0.000 0.299 71 G HA3 0.149 4.105 3.960 -0.007 0.000 0.299 71 G C 0.272 175.178 174.900 0.010 0.000 1.643 71 G CA -0.199 44.909 45.100 0.013 0.000 0.916 71 G HN 0.370 nan 8.290 nan 0.000 0.700 72 V N 0.440 120.360 119.914 0.010 0.000 2.795 72 V HA 0.642 4.758 4.120 -0.007 0.000 0.243 72 V C 1.643 177.743 176.094 0.010 0.000 1.069 72 V CA 2.173 64.479 62.300 0.009 0.000 1.089 72 V CB -0.381 31.447 31.823 0.008 0.000 0.756 72 V HN 1.517 nan 8.190 nan 0.000 0.471 73 G N 1.031 109.838 108.800 0.012 0.000 2.882 73 G HA2 0.289 4.244 3.960 -0.007 0.000 0.164 73 G HA3 0.289 4.244 3.960 -0.007 0.000 0.164 73 G C 1.007 175.916 174.900 0.015 0.000 1.429 73 G CA 0.525 45.633 45.100 0.013 0.000 1.059 73 G HN 0.657 nan 8.290 nan 0.000 0.581 74 S N -0.713 114.997 115.700 0.017 0.000 2.650 74 S HA 0.184 4.650 4.470 -0.007 0.000 0.219 74 S C 0.115 174.729 174.600 0.024 0.000 0.960 74 S CA 0.213 58.425 58.200 0.019 0.000 0.925 74 S CB 0.145 63.357 63.200 0.019 0.000 0.775 74 S HN 0.306 nan 8.310 nan 0.000 0.525 75 E N 1.497 121.711 120.200 0.024 0.000 2.081 75 E HA 0.566 4.912 4.350 -0.007 0.000 0.276 75 E C -0.955 175.663 176.600 0.030 0.000 0.950 75 E CA -0.168 56.250 56.400 0.030 0.000 0.776 75 E CB 1.153 30.869 29.700 0.027 0.000 1.094 75 E HN 0.397 nan 8.360 nan 0.000 0.402 76 L N 2.558 123.804 121.223 0.037 0.000 2.329 76 L HA 0.568 4.904 4.340 -0.007 0.000 0.279 76 L C -0.180 176.717 176.870 0.044 0.000 1.014 76 L CA -0.724 54.136 54.840 0.033 0.000 0.814 76 L CB 2.059 44.133 42.059 0.026 0.000 1.257 76 L HN 0.358 nan 8.230 nan 0.000 0.424 77 T N 2.279 116.855 114.554 0.037 0.000 2.807 77 T HA 0.529 4.875 4.350 -0.007 0.000 0.279 77 T C -0.341 174.381 174.700 0.038 0.000 0.993 77 T CA -0.392 61.733 62.100 0.043 0.000 0.970 77 T CB 2.059 70.948 68.868 0.034 0.000 0.950 77 T HN 0.167 nan 8.240 nan 0.000 0.441 78 V N 3.734 123.676 119.914 0.048 0.000 2.459 78 V HA 0.831 4.947 4.120 -0.007 0.000 0.295 78 V C -0.009 176.109 176.094 0.041 0.000 1.029 78 V CA -0.541 61.783 62.300 0.041 0.000 0.874 78 V CB 1.577 33.427 31.823 0.044 0.000 0.985 78 V HN 1.115 nan 8.190 nan 0.000 0.438 79 S N 2.584 118.302 115.700 0.031 0.000 2.656 79 S HA 0.996 5.462 4.470 -0.007 0.000 0.273 79 S C -0.172 174.442 174.600 0.023 0.000 1.168 79 S CA -0.006 58.211 58.200 0.028 0.000 0.817 79 S CB 1.753 64.967 63.200 0.024 0.000 1.146 79 S HN 2.226 nan 8.310 nan 0.000 0.475 80 G N 0.638 109.451 108.800 0.022 0.000 2.500 80 G HA2 0.207 4.163 3.960 -0.007 0.000 0.209 80 G HA3 0.207 4.163 3.960 -0.007 0.000 0.209 80 G C -1.573 173.340 174.900 0.021 0.000 1.283 80 G CA -0.662 44.449 45.100 0.018 0.000 0.960 80 G HN 0.833 nan 8.290 nan 0.000 0.528 81 R N -1.014 119.498 120.500 0.019 0.000 2.888 81 R HA 0.698 5.033 4.340 -0.007 0.000 0.266 81 R C -0.045 176.269 176.300 0.023 0.000 1.020 81 R CA -1.331 54.782 56.100 0.022 0.000 0.963 81 R CB 0.711 31.022 30.300 0.019 0.000 1.197 81 R HN 0.601 nan 8.270 nan 0.000 0.481 82 I N 2.522 123.109 120.570 0.029 0.000 2.308 82 I HA 0.154 4.320 4.170 -0.007 0.000 0.293 82 I C 0.195 176.327 176.117 0.025 0.000 1.078 82 I CA 0.336 61.655 61.300 0.031 0.000 1.292 82 I CB 0.299 38.326 38.000 0.045 0.000 1.423 82 I HN 0.559 nan 8.210 nan 0.000 0.493 83 E N 6.439 126.649 120.200 0.017 0.000 2.956 83 E HA 0.318 4.664 4.350 -0.007 0.000 0.353 83 E C -2.905 173.696 176.600 0.002 0.000 1.131 83 E CA -1.614 54.792 56.400 0.011 0.000 0.851 83 E CB 0.471 30.176 29.700 0.010 0.000 1.500 83 E HN 0.196 nan 8.360 nan 0.000 0.384 84 P HA 0.148 nan 4.420 nan 0.000 0.268 84 P C 0.549 177.838 177.300 -0.017 0.000 1.205 84 P CA 0.200 63.290 63.100 -0.016 0.000 0.771 84 P CB 1.047 32.735 31.700 -0.021 0.000 0.858 85 G N 3.147 111.932 108.800 -0.025 0.000 2.563 85 G HA2 0.410 4.365 3.960 -0.007 0.000 0.283 85 G HA3 0.410 4.365 3.960 -0.007 0.000 0.283 85 G C -2.542 172.342 174.900 -0.026 0.000 1.309 85 G CA -1.349 43.737 45.100 -0.022 0.000 1.022 85 G HN 0.306 nan 8.290 nan 0.000 0.501 86 P HA 0.230 nan 4.420 nan 0.000 0.268 86 P C 0.769 178.050 177.300 -0.031 0.000 1.205 86 P CA 1.158 64.245 63.100 -0.022 0.000 0.771 86 P CB 0.908 32.598 31.700 -0.017 0.000 0.858 87 G N 1.669 110.449 108.800 -0.034 0.000 2.258 87 G HA2 -0.197 3.759 3.960 -0.007 0.000 0.274 87 G HA3 -0.197 3.759 3.960 -0.007 0.000 0.274 87 G C 0.490 175.351 174.900 -0.066 0.000 1.021 87 G CA 0.044 45.118 45.100 -0.044 0.000 0.798 87 G HN 0.852 nan 8.290 nan 0.000 0.507 88 A N -0.273 122.502 122.820 -0.074 0.000 2.540 88 A HA 0.548 4.864 4.320 -0.007 0.000 0.239 88 A C 0.871 178.357 177.584 -0.163 0.000 1.061 88 A CA 1.088 53.061 52.037 -0.108 0.000 0.758 88 A CB 0.231 19.169 19.000 -0.104 0.000 0.991 88 A HN 0.989 nan 8.150 nan 0.000 0.502 89 R N 2.740 123.126 120.500 -0.190 0.000 2.510 89 R HA 0.480 4.816 4.340 -0.007 0.000 0.294 89 R C -1.937 174.191 176.300 -0.287 0.000 1.056 89 R CA -0.465 55.489 56.100 -0.244 0.000 0.918 89 R CB 1.574 31.776 30.300 -0.163 0.000 1.187 89 R HN 0.511 nan 8.270 nan 0.000 0.437 90 V N 3.744 123.377 119.914 -0.468 0.000 2.432 90 V HA 0.104 4.220 4.120 -0.007 0.000 0.275 90 V C -0.047 175.902 176.094 -0.242 0.000 1.043 90 V CA -0.370 61.686 62.300 -0.406 0.000 0.925 90 V CB 1.347 32.784 31.823 -0.645 0.000 0.985 90 V HN 0.654 nan 8.190 nan 0.000 0.466 91 D N 3.628 123.943 120.400 -0.142 0.000 2.347 91 D HA 0.190 4.825 4.640 -0.007 0.000 0.235 91 D C 0.623 176.895 176.300 -0.046 0.000 1.149 91 D CA -0.206 53.743 54.000 -0.085 0.000 0.850 91 D CB 1.117 41.874 40.800 -0.072 0.000 1.061 91 D HN 0.538 nan 8.370 nan 0.000 0.487 92 C N 3.203 122.492 119.300 -0.018 0.000 2.594 92 C HA 0.396 4.852 4.460 -0.007 0.000 0.265 92 C C 1.925 176.903 174.990 -0.020 0.000 1.351 92 C CA 0.294 59.319 59.018 0.011 0.000 1.744 92 C CB -1.306 26.471 27.740 0.061 0.000 1.890 92 C HN 0.917 nan 8.230 nan 0.000 0.551 93 G N 0.944 109.726 108.800 -0.029 0.000 2.793 93 G HA2 -0.316 3.640 3.960 -0.007 0.000 0.334 93 G HA3 -0.316 3.640 3.960 -0.007 0.000 0.334 93 G C 0.460 175.338 174.900 -0.035 0.000 1.186 93 G CA 0.902 45.979 45.100 -0.038 0.000 0.960 93 G HN 0.392 nan 8.290 nan 0.000 0.562 94 L N 1.040 122.230 121.223 -0.054 0.000 3.515 94 L HA 0.655 4.991 4.340 -0.007 0.000 0.322 94 L C 1.571 178.385 176.870 -0.094 0.000 1.225 94 L CA 1.000 55.805 54.840 -0.058 0.000 1.104 94 L CB -0.175 41.847 42.059 -0.061 0.000 1.506 94 L HN 1.193 nan 8.230 nan 0.000 0.624 95 A N -0.066 122.691 122.820 -0.104 0.000 2.444 95 A HA 0.492 4.808 4.320 -0.007 0.000 0.287 95 A C 1.566 179.054 177.584 -0.160 0.000 1.195 95 A CA 0.518 52.467 52.037 -0.148 0.000 0.858 95 A CB -0.060 18.857 19.000 -0.138 0.000 1.117 95 A HN 0.432 nan 8.150 nan 0.000 0.521 96 G N 2.103 110.783 108.800 -0.201 0.000 2.442 96 G HA2 -0.286 3.670 3.960 -0.007 0.000 0.219 96 G HA3 -0.286 3.670 3.960 -0.007 0.000 0.219 96 G C 1.586 176.273 174.900 -0.355 0.000 1.141 96 G CA 1.746 46.709 45.100 -0.227 0.000 0.763 96 G HN 0.922 nan 8.290 nan 0.000 0.554 97 T N -0.865 113.377 114.554 -0.519 0.000 2.833 97 T HA -0.080 4.266 4.350 -0.007 0.000 0.269 97 T C 2.262 176.624 174.700 -0.564 0.000 1.054 97 T CA 1.419 62.936 62.100 -0.971 0.000 1.135 97 T CB -0.388 67.972 68.868 -0.847 0.000 0.869 97 T HN 0.039 nan 8.240 nan 0.000 0.466 98 V N 1.474 121.243 119.914 -0.242 0.000 2.323 98 V HA -0.010 4.106 4.120 -0.007 0.000 0.244 98 V C 2.562 178.679 176.094 0.038 0.000 1.041 98 V CA 1.458 63.731 62.300 -0.045 0.000 1.025 98 V CB -0.843 30.973 31.823 -0.011 0.000 0.656 98 V HN 0.412 nan 8.190 nan 0.000 0.451 99 L N 0.071 121.298 121.223 0.008 0.000 2.081 99 L HA -0.183 4.153 4.340 -0.007 0.000 0.212 99 L C 2.368 179.282 176.870 0.074 0.000 1.080 99 L CA 2.117 57.009 54.840 0.086 0.000 0.754 99 L CB -0.411 41.690 42.059 0.069 0.000 0.893 99 L HN 0.163 nan 8.230 nan 0.000 0.433 100 R N -2.516 117.993 120.500 0.016 0.000 2.206 100 R HA 0.148 4.484 4.340 -0.007 0.000 0.198 100 R C 1.721 178.206 176.300 0.308 0.000 0.986 100 R CA 0.549 56.726 56.100 0.129 0.000 1.029 100 R CB -0.121 30.247 30.300 0.112 0.000 0.966 100 R HN 0.237 nan 8.270 nan 0.000 0.487 101 F N -0.957 119.004 119.950 0.018 0.000 2.619 101 F HA 0.157 4.680 4.527 -0.006 0.000 0.293 101 F C 1.783 177.610 175.800 0.045 0.000 1.119 101 F CA 0.063 58.069 58.000 0.011 0.000 1.445 101 F CB -0.201 38.791 39.000 -0.013 0.000 1.119 101 F HN -0.245 nan 8.300 nan 0.000 0.573 102 V N 0.475 120.551 119.914 0.270 0.000 2.825 102 V HA -0.007 4.109 4.120 -0.007 0.000 0.246 102 V C -0.701 175.557 176.094 0.273 0.000 1.068 102 V CA 0.820 63.293 62.300 0.287 0.000 1.088 102 V CB -1.244 30.804 31.823 0.374 0.000 0.733 102 V HN 0.049 nan 8.190 nan 0.000 0.468 103 P HA -0.076 nan 4.420 nan 0.000 0.216 103 P C -1.491 175.847 177.300 0.064 0.000 1.150 103 P CA 1.605 64.622 63.100 -0.138 0.000 0.837 103 P CB -1.139 30.313 31.700 -0.412 0.000 0.786 104 P HA -0.108 nan 4.420 nan 0.000 0.219 104 P C 1.325 178.733 177.300 0.181 0.000 1.146 104 P CA 1.156 64.340 63.100 0.140 0.000 0.808 104 P CB -0.527 31.285 31.700 0.186 0.000 0.779 105 L N -1.471 119.858 121.223 0.178 0.000 2.109 105 L HA -0.052 4.284 4.340 -0.007 0.000 0.207 105 L C 2.446 179.419 176.870 0.172 0.000 1.086 105 L CA 1.266 56.206 54.840 0.167 0.000 0.760 105 L CB -1.152 40.999 42.059 0.152 0.000 0.910 105 L HN -0.055 nan 8.230 nan 0.000 0.437 106 A N 0.336 123.297 122.820 0.235 0.000 1.930 106 A HA -0.083 4.233 4.320 -0.007 0.000 0.217 106 A C 2.526 180.207 177.584 0.162 0.000 1.175 106 A CA 1.498 53.682 52.037 0.244 0.000 0.627 106 A CB -0.554 18.727 19.000 0.469 0.000 0.815 106 A HN 0.364 nan 8.150 nan 0.000 0.443 107 A N -0.182 122.716 122.820 0.131 0.000 2.015 107 A HA 0.030 4.346 4.320 -0.007 0.000 0.219 107 A C 2.011 179.625 177.584 0.049 0.000 1.163 107 A CA 1.285 53.356 52.037 0.058 0.000 0.646 107 A CB -0.530 18.469 19.000 -0.002 0.000 0.806 107 A HN 0.488 nan 8.150 nan 0.000 0.448 108 L N -0.855 120.427 121.223 0.098 0.000 2.291 108 L HA 0.059 4.395 4.340 -0.007 0.000 0.214 108 L C 1.768 178.681 176.870 0.072 0.000 1.120 108 L CA 0.237 55.138 54.840 0.102 0.000 0.799 108 L CB -0.796 41.349 42.059 0.143 0.000 0.925 108 L HN 0.445 nan 8.230 nan 0.000 0.446 109 G N -0.817 108.025 108.800 0.069 0.000 2.532 109 G HA2 0.261 4.217 3.960 -0.007 0.000 0.291 109 G HA3 0.261 4.217 3.960 -0.007 0.000 0.291 109 G C 0.759 175.684 174.900 0.041 0.000 1.349 109 G CA 0.354 45.486 45.100 0.054 0.000 1.038 109 G HN 0.124 nan 8.290 nan 0.000 0.518 110 S N -2.373 113.347 115.700 0.033 0.000 2.613 110 S HA 0.150 4.616 4.470 -0.007 0.000 0.235 110 S C 0.612 175.226 174.600 0.024 0.000 1.073 110 S CA 0.074 58.289 58.200 0.025 0.000 0.899 110 S CB 0.206 63.417 63.200 0.019 0.000 0.818 110 S HN 0.354 nan 8.310 nan 0.000 0.484 111 V N 4.872 124.799 119.914 0.023 0.000 2.408 111 V HA 0.420 4.536 4.120 -0.007 0.000 0.267 111 V C -2.381 173.726 176.094 0.021 0.000 1.047 111 V CA -1.978 60.332 62.300 0.016 0.000 0.937 111 V CB 1.005 32.832 31.823 0.007 0.000 0.999 111 V HN 0.336 nan 8.190 nan 0.000 0.472 112 P HA 0.031 nan 4.420 nan 0.000 0.267 112 P C -0.946 176.361 177.300 0.012 0.000 1.195 112 P CA 0.322 63.442 63.100 0.033 0.000 0.773 112 P CB 0.407 32.122 31.700 0.025 0.000 0.837 113 V N 2.591 122.522 119.914 0.028 0.000 2.567 113 V HA 0.210 4.326 4.120 -0.007 0.000 0.298 113 V C 0.033 176.077 176.094 -0.084 0.000 1.047 113 V CA -0.450 61.806 62.300 -0.072 0.000 0.880 113 V CB 2.021 33.777 31.823 -0.110 0.000 1.009 113 V HN 0.432 nan 8.190 nan 0.000 0.429 114 T N 5.441 119.885 114.554 -0.183 0.000 2.897 114 T HA 0.591 4.937 4.350 -0.007 0.000 0.294 114 T C -0.632 173.806 174.700 -0.436 0.000 1.004 114 T CA 0.282 62.276 62.100 -0.176 0.000 1.106 114 T CB 0.278 69.067 68.868 -0.133 0.000 0.949 114 T HN 0.304 nan 8.240 nan 0.000 0.520 115 F N 2.396 122.067 119.950 -0.464 0.000 2.426 115 F HA 0.494 5.017 4.527 -0.007 0.000 0.348 115 F C 0.490 176.005 175.800 -0.476 0.000 1.124 115 F CA -0.934 56.724 58.000 -0.570 0.000 1.008 115 F CB 1.539 39.903 39.000 -1.061 0.000 1.139 115 F HN 0.431 nan 8.300 nan 0.000 0.452 116 D N 0.863 121.169 120.400 -0.157 0.000 2.566 116 D HA 0.803 5.439 4.640 -0.007 0.000 0.254 116 D C -0.526 175.743 176.300 -0.051 0.000 1.090 116 D CA -0.388 53.552 54.000 -0.100 0.000 1.034 116 D CB 2.538 43.283 40.800 -0.091 0.000 1.434 116 D HN 0.716 nan 8.370 nan 0.000 0.509 117 G N 0.063 108.846 108.800 -0.029 0.000 2.559 117 G HA2 0.365 4.321 3.960 -0.007 0.000 0.291 117 G HA3 0.365 4.321 3.960 -0.007 0.000 0.291 117 G C -1.367 173.527 174.900 -0.011 0.000 1.424 117 G CA -0.749 44.342 45.100 -0.015 0.000 0.786 117 G HN 0.385 nan 8.290 nan 0.000 0.485 118 D N 0.107 120.500 120.400 -0.012 0.000 2.515 118 D HA -0.015 4.621 4.640 -0.007 0.000 0.232 118 D C 1.554 177.854 176.300 0.001 0.000 1.157 118 D CA 0.196 54.191 54.000 -0.009 0.000 0.871 118 D CB 1.085 41.879 40.800 -0.011 0.000 1.200 118 D HN 0.596 nan 8.370 nan 0.000 0.466 119 Q N 1.062 120.863 119.800 0.001 0.000 2.152 119 Q HA -0.304 4.031 4.340 -0.007 0.000 0.206 119 Q C 1.693 177.701 176.000 0.014 0.000 0.985 119 Q CA 1.606 57.413 55.803 0.008 0.000 0.863 119 Q CB 0.072 28.813 28.738 0.004 0.000 0.904 119 Q HN 0.554 nan 8.270 nan 0.000 0.422 120 Q N -0.847 118.960 119.800 0.012 0.000 2.123 120 Q HA -0.111 4.225 4.340 -0.007 0.000 0.199 120 Q C 1.949 177.961 176.000 0.020 0.000 0.966 120 Q CA 1.088 56.902 55.803 0.019 0.000 0.845 120 Q CB -0.128 28.621 28.738 0.019 0.000 0.907 120 Q HN 0.523 nan 8.270 nan 0.000 0.439 121 A N 1.004 123.832 122.820 0.015 0.000 1.978 121 A HA -0.190 4.126 4.320 -0.007 0.000 0.220 121 A C 1.868 179.476 177.584 0.040 0.000 1.170 121 A CA 1.258 53.307 52.037 0.020 0.000 0.636 121 A CB -0.449 18.558 19.000 0.012 0.000 0.810 121 A HN 0.322 nan 8.150 nan 0.000 0.448 122 R N -0.722 119.802 120.500 0.039 0.000 2.293 122 R HA -0.090 4.246 4.340 -0.007 0.000 0.219 122 R C 1.887 178.218 176.300 0.052 0.000 1.091 122 R CA 0.736 56.867 56.100 0.052 0.000 1.004 122 R CB -0.382 29.942 30.300 0.041 0.000 0.865 122 R HN 0.518 nan 8.270 nan 0.000 0.469 123 G N 0.499 109.325 108.800 0.044 0.000 2.880 123 G HA2 -0.055 3.901 3.960 -0.007 0.000 0.209 123 G HA3 -0.055 3.901 3.960 -0.007 0.000 0.209 123 G C 0.525 175.457 174.900 0.053 0.000 1.157 123 G CA -0.311 44.816 45.100 0.044 0.000 0.779 123 G HN 0.041 nan 8.290 nan 0.000 0.539 124 R N 0.894 121.430 120.500 0.060 0.000 2.357 124 R HA 0.268 4.604 4.340 -0.007 0.000 0.296 124 R C -2.527 173.837 176.300 0.106 0.000 1.052 124 R CA -1.616 54.525 56.100 0.069 0.000 0.988 124 R CB 0.737 31.065 30.300 0.047 0.000 1.025 124 R HN 0.010 nan 8.270 nan 0.000 0.469 125 P HA -0.010 nan 4.420 nan 0.000 0.265 125 P C 0.109 177.618 177.300 0.348 0.000 1.193 125 P CA 0.306 63.547 63.100 0.235 0.000 0.765 125 P CB 0.497 32.376 31.700 0.299 0.000 0.823 126 I N 2.099 122.777 120.570 0.180 0.000 5.242 126 I HA 0.156 4.321 4.170 -0.007 0.000 0.360 126 I C 1.732 177.650 176.117 -0.332 0.000 1.201 126 I CA 0.594 61.884 61.300 -0.016 0.000 1.527 126 I CB -0.496 37.496 38.000 -0.013 0.000 1.769 126 I HN 0.267 nan 8.210 nan 0.000 0.603 127 A N 1.973 124.661 122.820 -0.220 0.000 1.917 127 A HA -0.076 4.239 4.320 -0.007 0.000 0.219 127 A C -0.247 177.126 177.584 -0.352 0.000 1.182 127 A CA 2.426 54.313 52.037 -0.251 0.000 0.633 127 A CB -2.072 16.849 19.000 -0.131 0.000 0.819 127 A HN 0.381 nan 8.150 nan 0.000 0.448 128 P HA -0.156 nan 4.420 nan 0.000 0.216 128 P C 1.654 178.617 177.300 -0.561 0.000 1.153 128 P CA 1.058 63.882 63.100 -0.461 0.000 0.858 128 P CB -0.086 31.315 31.700 -0.499 0.000 0.789 129 L N -1.066 119.618 121.223 -0.898 0.000 2.093 129 L HA -0.100 4.235 4.340 -0.007 0.000 0.208 129 L C 2.075 178.702 176.870 -0.404 0.000 1.085 129 L CA 1.691 56.173 54.840 -0.597 0.000 0.755 129 L CB -1.322 40.403 42.059 -0.557 0.000 0.904 129 L HN -0.118 nan 8.230 nan 0.000 0.435 130 L N -0.790 120.160 121.223 -0.455 0.000 2.046 130 L HA -0.188 4.148 4.340 -0.007 0.000 0.208 130 L C 2.254 178.959 176.870 -0.274 0.000 1.077 130 L CA 1.304 55.899 54.840 -0.408 0.000 0.747 130 L CB -0.949 40.810 42.059 -0.500 0.000 0.896 130 L HN 0.259 nan 8.230 nan 0.000 0.432 131 D N 0.350 120.603 120.400 -0.244 0.000 2.144 131 D HA -0.148 4.488 4.640 -0.007 0.000 0.199 131 D C 2.226 178.439 176.300 -0.144 0.000 0.984 131 D CA 1.468 55.366 54.000 -0.170 0.000 0.834 131 D CB 0.048 40.761 40.800 -0.146 0.000 0.955 131 D HN 0.301 nan 8.370 nan 0.000 0.465 132 A N 0.920 123.643 122.820 -0.161 0.000 1.865 132 A HA -0.155 4.160 4.320 -0.007 0.000 0.217 132 A C 2.425 179.939 177.584 -0.117 0.000 1.191 132 A CA 1.002 52.968 52.037 -0.117 0.000 0.623 132 A CB -0.891 18.042 19.000 -0.111 0.000 0.826 132 A HN 0.224 nan 8.150 nan 0.000 0.444 133 L N -1.280 119.855 121.223 -0.148 0.000 2.079 133 L HA -0.222 4.114 4.340 -0.007 0.000 0.210 133 L C 2.927 179.716 176.870 -0.136 0.000 1.081 133 L CA 1.535 56.285 54.840 -0.149 0.000 0.752 133 L CB -0.463 41.499 42.059 -0.162 0.000 0.896 133 L HN 0.405 nan 8.230 nan 0.000 0.433 134 R N -0.023 120.401 120.500 -0.126 0.000 2.066 134 R HA -0.186 4.149 4.340 -0.007 0.000 0.232 134 R C 2.175 178.423 176.300 -0.087 0.000 1.131 134 R CA 1.439 57.480 56.100 -0.099 0.000 0.955 134 R CB -0.212 30.032 30.300 -0.092 0.000 0.851 134 R HN 0.286 nan 8.270 nan 0.000 0.432 135 E N 0.512 120.663 120.200 -0.083 0.000 2.171 135 E HA -0.164 4.182 4.350 -0.007 0.000 0.197 135 E C 1.364 177.921 176.600 -0.072 0.000 0.997 135 E CA 0.977 57.338 56.400 -0.065 0.000 0.810 135 E CB 0.037 29.705 29.700 -0.053 0.000 0.738 135 E HN 0.263 nan 8.360 nan 0.000 0.467 136 L N -0.991 120.172 121.223 -0.100 0.000 2.612 136 L HA 0.188 4.524 4.340 -0.007 0.000 0.230 136 L C 0.926 177.703 176.870 -0.156 0.000 1.140 136 L CA 0.266 55.025 54.840 -0.135 0.000 0.896 136 L CB 0.197 42.138 42.059 -0.196 0.000 1.065 136 L HN 0.317 nan 8.230 nan 0.000 0.447 137 G N 0.427 109.158 108.800 -0.115 0.000 2.140 137 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.211 137 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.211 137 G C -0.149 174.694 174.900 -0.096 0.000 1.013 137 G CA -0.078 44.965 45.100 -0.096 0.000 0.705 137 G HN 0.090 nan 8.290 nan 0.000 0.508 138 V N -0.350 119.504 119.914 -0.100 0.000 2.513 138 V HA 0.862 4.978 4.120 -0.007 0.000 0.299 138 V C 0.778 176.841 176.094 -0.052 0.000 1.035 138 V CA -0.696 61.558 62.300 -0.077 0.000 0.889 138 V CB 1.673 33.442 31.823 -0.089 0.000 0.988 138 V HN 1.323 nan 8.190 nan 0.000 0.440 139 A N 4.064 126.868 122.820 -0.026 0.000 2.404 139 A HA 0.667 4.983 4.320 -0.007 0.000 0.273 139 A C -0.369 177.219 177.584 0.007 0.000 1.144 139 A CA -0.214 51.816 52.037 -0.011 0.000 0.806 139 A CB 0.299 19.299 19.000 0.001 0.000 1.080 139 A HN 0.856 nan 8.150 nan 0.000 0.509 140 V N 4.369 124.281 119.914 -0.003 0.000 2.525 140 V HA 0.263 4.379 4.120 -0.007 0.000 0.299 140 V C -1.049 175.064 176.094 0.032 0.000 1.034 140 V CA -0.915 61.396 62.300 0.019 0.000 0.863 140 V CB 1.896 33.682 31.823 -0.062 0.000 0.999 140 V HN 0.896 nan 8.190 nan 0.000 0.423 141 D N 4.173 124.627 120.400 0.089 0.000 2.280 141 D HA 0.602 5.238 4.640 -0.007 0.000 0.243 141 D C 0.530 176.903 176.300 0.122 0.000 1.129 141 D CA 0.662 54.710 54.000 0.081 0.000 0.848 141 D CB 1.920 42.766 40.800 0.076 0.000 1.107 141 D HN 1.018 nan 8.370 nan 0.000 0.471 142 G N 1.250 110.093 108.800 0.073 0.000 2.617 142 G HA2 -0.128 3.828 3.960 -0.007 0.000 0.686 142 G HA3 -0.128 3.828 3.960 -0.007 0.000 0.686 142 G C 0.410 175.326 174.900 0.027 0.000 1.214 142 G CA -0.122 45.031 45.100 0.088 0.000 0.796 142 G HN 0.474 nan 8.290 nan 0.000 0.654 143 T N -1.493 113.069 114.554 0.012 0.000 3.044 143 T HA 0.637 4.983 4.350 -0.007 0.000 0.260 143 T C 1.151 175.828 174.700 -0.038 0.000 1.019 143 T CA 1.072 63.142 62.100 -0.051 0.000 0.921 143 T CB 0.733 69.577 68.868 -0.040 0.000 1.053 143 T HN 2.239 nan 8.240 nan 0.000 0.533 144 G N 0.563 109.403 108.800 0.066 0.000 2.663 144 G HA2 0.584 4.540 3.960 -0.007 0.000 0.299 144 G HA3 0.584 4.540 3.960 -0.007 0.000 0.299 144 G C -1.607 173.477 174.900 0.307 0.000 1.372 144 G CA -1.175 44.007 45.100 0.136 0.000 0.781 144 G HN 0.323 nan 8.290 nan 0.000 0.491 145 L N 1.920 123.303 121.223 0.266 0.000 2.416 145 L HA 0.331 4.667 4.340 -0.007 0.000 0.272 145 L C -1.639 175.293 176.870 0.103 0.000 1.161 145 L CA -1.278 53.678 54.840 0.194 0.000 0.845 145 L CB 1.045 43.172 42.059 0.113 0.000 1.119 145 L HN 0.295 nan 8.230 nan 0.000 0.464 146 P HA 0.362 nan 4.420 nan 0.000 0.282 146 P C -1.198 176.149 177.300 0.078 0.000 1.249 146 P CA -0.301 62.795 63.100 -0.007 0.000 0.806 146 P CB 0.950 32.628 31.700 -0.036 0.000 0.984 147 F N -0.842 119.166 119.950 0.097 0.000 2.620 147 F HA 0.801 5.326 4.527 -0.004 0.000 0.320 147 F C -0.347 175.536 175.800 0.139 0.000 1.069 147 F CA -1.598 56.449 58.000 0.077 0.000 0.953 147 F CB 1.689 40.705 39.000 0.026 0.000 1.322 147 F HN 0.085 nan 8.300 nan 0.000 0.479 148 R N 1.050 121.754 120.500 0.339 0.000 2.534 148 R HA 0.725 5.061 4.340 -0.007 0.000 0.301 148 R C -1.885 174.599 176.300 0.306 0.000 0.961 148 R CA -0.839 55.420 56.100 0.264 0.000 0.871 148 R CB 2.143 32.523 30.300 0.132 0.000 1.170 148 R HN 0.737 nan 8.270 nan 0.000 0.446 149 V N 5.333 125.456 119.914 0.349 0.000 2.348 149 V HA 0.335 4.451 4.120 -0.007 0.000 0.270 149 V C 0.342 176.532 176.094 0.160 0.000 1.037 149 V CA -0.364 62.090 62.300 0.256 0.000 0.872 149 V CB 1.167 33.191 31.823 0.336 0.000 1.002 149 V HN 0.646 nan 8.190 nan 0.000 0.464 150 R N 4.037 124.595 120.500 0.097 0.000 3.171 150 R HA 0.339 4.675 4.340 -0.007 0.000 0.241 150 R C 0.821 177.147 176.300 0.044 0.000 1.421 150 R CA -0.241 55.896 56.100 0.062 0.000 1.444 150 R CB 0.972 31.297 30.300 0.043 0.000 1.247 150 R HN 0.866 nan 8.270 nan 0.000 0.636 151 G N 0.974 109.806 108.800 0.053 0.000 2.614 151 G HA2 -0.138 3.818 3.960 -0.007 0.000 0.239 151 G HA3 -0.138 3.818 3.960 -0.007 0.000 0.239 151 G C 0.666 175.579 174.900 0.022 0.000 1.240 151 G CA -0.426 44.697 45.100 0.038 0.000 0.842 151 G HN 0.682 nan 8.290 nan 0.000 0.584 152 N N 0.304 119.012 118.700 0.012 0.000 2.170 152 N HA 0.197 4.932 4.740 -0.007 0.000 0.222 152 N C 1.255 176.772 175.510 0.012 0.000 1.218 152 N CA 0.753 53.808 53.050 0.008 0.000 0.889 152 N CB 0.836 39.321 38.487 -0.003 0.000 1.083 152 N HN 1.113 nan 8.380 nan 0.000 0.520 153 G N 0.515 109.327 108.800 0.019 0.000 2.254 153 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.225 153 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.225 153 G C -0.037 174.881 174.900 0.031 0.000 1.003 153 G CA 0.372 45.487 45.100 0.025 0.000 0.622 153 G HN 1.021 nan 8.290 nan 0.000 0.507 154 S N -1.198 114.516 115.700 0.023 0.000 2.672 154 S HA 0.843 5.309 4.470 -0.007 0.000 0.271 154 S C -2.044 172.556 174.600 0.000 0.000 1.171 154 S CA -0.718 57.501 58.200 0.032 0.000 0.817 154 S CB 2.314 65.534 63.200 0.034 0.000 1.150 154 S HN 1.172 nan 8.310 nan 0.000 0.478 155 L N 1.120 122.345 121.223 0.004 0.000 2.470 155 L HA 0.810 5.146 4.340 -0.007 0.000 0.268 155 L C 0.876 177.720 176.870 -0.042 0.000 0.964 155 L CA -0.074 54.705 54.840 -0.101 0.000 0.839 155 L CB 1.507 43.378 42.059 -0.313 0.000 1.276 155 L HN 1.101 nan 8.230 nan 0.000 0.403 156 A N 2.881 125.662 122.820 -0.065 0.000 1.897 156 A HA 0.503 4.819 4.320 -0.007 0.000 0.215 156 A C 1.269 178.866 177.584 0.022 0.000 1.181 156 A CA 1.433 53.467 52.037 -0.006 0.000 0.620 156 A CB -0.664 18.326 19.000 -0.017 0.000 0.821 156 A HN 1.464 nan 8.150 nan 0.000 0.443 157 G N -2.229 106.521 108.800 -0.083 0.000 2.496 157 G HA2 0.333 4.289 3.960 -0.007 0.000 0.243 157 G HA3 0.333 4.289 3.960 -0.007 0.000 0.243 157 G C 1.147 176.075 174.900 0.048 0.000 1.176 157 G CA 0.623 45.732 45.100 0.016 0.000 0.940 157 G HN 2.482 nan 8.290 nan 0.000 0.573 158 G N -2.871 105.994 108.800 0.109 0.000 2.460 158 G HA2 0.434 4.389 3.960 -0.007 0.000 0.207 158 G HA3 0.434 4.389 3.960 -0.007 0.000 0.207 158 G C -0.108 174.842 174.900 0.083 0.000 1.170 158 G CA 0.689 45.833 45.100 0.072 0.000 1.151 158 G HN 2.143 nan 8.290 nan 0.000 0.575 159 T N -0.199 114.391 114.554 0.059 0.000 2.861 159 T HA 0.704 5.049 4.350 -0.007 0.000 0.287 159 T C -1.154 173.576 174.700 0.049 0.000 1.003 159 T CA 0.326 62.464 62.100 0.062 0.000 0.977 159 T CB 1.892 70.789 68.868 0.049 0.000 0.996 159 T HN 1.668 nan 8.240 nan 0.000 0.448 160 V N 1.816 121.769 119.914 0.064 0.000 3.048 160 V HA 0.843 4.959 4.120 -0.007 0.000 0.303 160 V C -1.431 174.701 176.094 0.063 0.000 1.214 160 V CA -0.715 61.612 62.300 0.046 0.000 0.984 160 V CB 2.000 33.842 31.823 0.032 0.000 1.054 160 V HN 1.100 nan 8.190 nan 0.000 0.430 161 A N 6.534 129.380 122.820 0.043 0.000 2.292 161 A HA 0.887 5.203 4.320 -0.007 0.000 0.319 161 A C -0.786 176.824 177.584 0.043 0.000 1.206 161 A CA -0.468 51.599 52.037 0.050 0.000 0.835 161 A CB 0.836 19.850 19.000 0.023 0.000 1.164 161 A HN 1.134 nan 8.150 nan 0.000 0.505 162 I N 1.567 122.185 120.570 0.080 0.000 2.686 162 I HA 0.345 4.511 4.170 -0.007 0.000 0.295 162 I C -1.463 174.739 176.117 0.141 0.000 1.114 162 I CA -0.691 60.661 61.300 0.086 0.000 1.038 162 I CB 2.218 40.276 38.000 0.096 0.000 1.238 162 I HN 0.698 nan 8.210 nan 0.000 0.420 163 D N 6.200 126.673 120.400 0.122 0.000 2.411 163 D HA 0.396 5.031 4.640 -0.007 0.000 0.225 163 D C 0.119 176.629 176.300 0.351 0.000 1.156 163 D CA -0.155 53.955 54.000 0.184 0.000 0.874 163 D CB 1.489 42.345 40.800 0.094 0.000 1.034 163 D HN 0.539 nan 8.370 nan 0.000 0.502 164 A N 3.087 126.228 122.820 0.535 0.000 2.577 164 A HA 0.177 4.493 4.320 -0.007 0.000 0.280 164 A C 1.826 179.490 177.584 0.133 0.000 1.331 164 A CA -0.342 51.909 52.037 0.358 0.000 0.935 164 A CB -0.090 19.034 19.000 0.206 0.000 1.082 164 A HN 0.482 nan 8.150 nan 0.000 0.525 165 S N 0.198 116.050 115.700 0.254 0.000 2.400 165 S HA -0.136 4.330 4.470 -0.007 0.000 0.232 165 S C 2.202 176.820 174.600 0.029 0.000 1.025 165 S CA 1.419 59.696 58.200 0.129 0.000 0.993 165 S CB -0.096 63.210 63.200 0.177 0.000 0.808 165 S HN 0.839 nan 8.310 nan 0.000 0.478 166 A N -0.167 122.695 122.820 0.072 0.000 2.016 166 A HA 0.290 4.606 4.320 -0.007 0.000 0.217 166 A C 1.087 178.580 177.584 -0.152 0.000 1.162 166 A CA 0.672 52.725 52.037 0.027 0.000 0.662 166 A CB 0.052 19.134 19.000 0.137 0.000 0.812 166 A HN 0.351 nan 8.150 nan 0.000 0.450 167 S N -1.743 113.724 115.700 -0.387 0.000 2.584 167 S HA 0.321 4.787 4.470 -0.007 0.000 0.280 167 S C 0.689 174.987 174.600 -0.504 0.000 1.162 167 S CA 0.224 58.094 58.200 -0.549 0.000 0.951 167 S CB 1.010 63.621 63.200 -0.980 0.000 1.108 167 S HN 0.783 nan 8.310 nan 0.000 0.464 168 S N 3.780 119.298 115.700 -0.303 0.000 2.442 168 S HA -0.136 4.330 4.470 -0.007 0.000 0.236 168 S C 1.353 175.833 174.600 -0.200 0.000 1.007 168 S CA 1.015 59.079 58.200 -0.226 0.000 0.965 168 S CB -0.437 62.678 63.200 -0.141 0.000 0.773 168 S HN 0.802 nan 8.310 nan 0.000 0.504 169 Q N -0.473 119.182 119.800 -0.241 0.000 2.364 169 Q HA 0.028 4.364 4.340 -0.007 0.000 0.207 169 Q C 1.204 177.269 176.000 0.109 0.000 0.970 169 Q CA 0.899 56.686 55.803 -0.027 0.000 0.888 169 Q CB -0.260 28.406 28.738 -0.120 0.000 0.951 169 Q HN 0.625 nan 8.270 nan 0.000 0.469 170 F N -0.676 119.263 119.950 -0.019 0.000 2.186 170 F HA -0.153 4.369 4.527 -0.008 0.000 0.299 170 F C 2.155 177.902 175.800 -0.089 0.000 1.090 170 F CA 0.461 58.440 58.000 -0.035 0.000 1.307 170 F CB -0.902 38.078 39.000 -0.035 0.000 1.019 170 F HN -0.119 nan 8.300 nan 0.000 0.489 171 V N -1.214 118.692 119.914 -0.013 0.000 2.346 171 V HA -0.191 3.925 4.120 -0.007 0.000 0.244 171 V C 2.387 178.306 176.094 -0.291 0.000 1.037 171 V CA 1.804 63.947 62.300 -0.261 0.000 1.029 171 V CB -0.949 30.514 31.823 -0.599 0.000 0.663 171 V HN 0.247 nan 8.190 nan 0.000 0.454 172 S N 0.704 116.266 115.700 -0.231 0.000 2.383 172 S HA -0.155 4.311 4.470 -0.007 0.000 0.229 172 S C 2.034 176.406 174.600 -0.380 0.000 1.030 172 S CA 1.519 59.542 58.200 -0.295 0.000 1.002 172 S CB -0.645 62.445 63.200 -0.184 0.000 0.829 172 S HN 0.707 nan 8.310 nan 0.000 0.467 173 G N 1.183 109.906 108.800 -0.127 0.000 2.408 173 G HA2 -0.073 3.883 3.960 -0.007 0.000 0.217 173 G HA3 -0.073 3.883 3.960 -0.007 0.000 0.217 173 G C 1.330 176.192 174.900 -0.064 0.000 1.150 173 G CA 0.392 45.460 45.100 -0.053 0.000 0.776 173 G HN 0.423 nan 8.290 nan 0.000 0.542 174 L N -0.090 121.113 121.223 -0.034 0.000 2.027 174 L HA 0.025 4.361 4.340 -0.007 0.000 0.206 174 L C 2.898 179.716 176.870 -0.086 0.000 1.074 174 L CA 0.592 55.442 54.840 0.016 0.000 0.745 174 L CB -0.418 41.662 42.059 0.035 0.000 0.898 174 L HN 0.172 nan 8.230 nan 0.000 0.433 175 L N -0.514 120.599 121.223 -0.183 0.000 2.083 175 L HA -0.236 4.100 4.340 -0.007 0.000 0.209 175 L C 2.539 179.260 176.870 -0.249 0.000 1.083 175 L CA 1.111 55.821 54.840 -0.217 0.000 0.752 175 L CB -0.459 41.442 42.059 -0.263 0.000 0.899 175 L HN 0.285 nan 8.230 nan 0.000 0.433 176 L N -0.936 120.113 121.223 -0.290 0.000 2.083 176 L HA -0.195 4.141 4.340 -0.007 0.000 0.209 176 L C 2.320 179.046 176.870 -0.240 0.000 1.083 176 L CA 1.163 55.831 54.840 -0.286 0.000 0.752 176 L CB -0.286 41.540 42.059 -0.388 0.000 0.899 176 L HN 0.185 nan 8.230 nan 0.000 0.433 177 S N -0.937 114.613 115.700 -0.251 0.000 2.535 177 S HA 0.171 4.636 4.470 -0.007 0.000 0.214 177 S C 1.971 176.109 174.600 -0.770 0.000 0.980 177 S CA 0.456 58.481 58.200 -0.292 0.000 0.907 177 S CB 0.418 63.599 63.200 -0.031 0.000 0.790 177 S HN 0.398 nan 8.310 nan 0.000 0.510 178 A N 1.826 124.105 122.820 -0.902 0.000 2.019 178 A HA 0.081 4.397 4.320 -0.007 0.000 0.219 178 A C 2.274 179.395 177.584 -0.772 0.000 1.164 178 A CA 1.485 52.709 52.037 -1.355 0.000 0.644 178 A CB -0.823 17.839 19.000 -0.564 0.000 0.805 178 A HN 0.512 nan 8.150 nan 0.000 0.449 179 A N -0.896 121.678 122.820 -0.409 0.000 2.076 179 A HA -0.039 4.277 4.320 -0.007 0.000 0.220 179 A C 2.225 179.721 177.584 -0.146 0.000 1.160 179 A CA 1.866 53.783 52.037 -0.200 0.000 0.653 179 A CB -0.500 18.429 19.000 -0.118 0.000 0.801 179 A HN 0.411 nan 8.150 nan 0.000 0.455 180 S N -0.760 114.822 115.700 -0.197 0.000 2.548 180 S HA 0.273 4.739 4.470 -0.007 0.000 0.215 180 S C -0.104 174.589 174.600 0.156 0.000 0.976 180 S CA -0.399 57.789 58.200 -0.020 0.000 0.908 180 S CB -0.211 62.998 63.200 0.014 0.000 0.781 180 S HN 0.409 nan 8.310 nan 0.000 0.519 181 F N 2.292 122.247 119.950 0.009 0.000 2.418 181 F HA 0.249 4.771 4.527 -0.007 0.000 0.341 181 F C 1.995 177.801 175.800 0.011 0.000 1.120 181 F CA -1.209 56.796 58.000 0.009 0.000 1.232 181 F CB -0.603 38.401 39.000 0.007 0.000 1.175 181 F HN -0.050 nan 8.300 nan 0.000 0.569 182 T N -0.352 114.327 114.554 0.208 0.000 2.607 182 T HA -0.213 4.133 4.350 -0.007 0.000 0.267 182 T C 0.956 175.718 174.700 0.102 0.000 1.049 182 T CA 1.834 64.003 62.100 0.114 0.000 1.162 182 T CB -0.205 68.707 68.868 0.074 0.000 0.863 182 T HN 0.441 nan 8.240 nan 0.000 0.424 183 D N 1.097 121.566 120.400 0.114 0.000 2.349 183 D HA 0.326 4.962 4.640 -0.007 0.000 0.224 183 D C 1.455 177.824 176.300 0.115 0.000 1.029 183 D CA 0.699 54.756 54.000 0.095 0.000 0.879 183 D CB -0.521 40.327 40.800 0.079 0.000 0.906 183 D HN 0.572 nan 8.370 nan 0.000 0.528 184 G N 0.598 109.488 108.800 0.150 0.000 2.575 184 G HA2 -0.214 3.742 3.960 -0.007 0.000 0.267 184 G HA3 -0.214 3.742 3.960 -0.007 0.000 0.267 184 G C -0.571 174.439 174.900 0.182 0.000 1.264 184 G CA 0.073 45.236 45.100 0.104 0.000 0.935 184 G HN 0.396 nan 8.290 nan 0.000 0.568 185 L N -1.467 119.825 121.223 0.115 0.000 2.556 185 L HA 0.734 5.070 4.340 -0.007 0.000 0.257 185 L C -0.295 176.650 176.870 0.124 0.000 0.955 185 L CA -0.017 54.922 54.840 0.164 0.000 0.850 185 L CB 2.356 44.548 42.059 0.221 0.000 1.398 185 L HN 0.967 nan 8.230 nan 0.000 0.412 186 T N 3.299 117.930 114.554 0.129 0.000 2.809 186 T HA 0.686 5.032 4.350 -0.007 0.000 0.284 186 T C -1.048 173.746 174.700 0.157 0.000 0.992 186 T CA -0.421 61.759 62.100 0.133 0.000 0.957 186 T CB 1.411 70.336 68.868 0.095 0.000 0.942 186 T HN 0.373 nan 8.240 nan 0.000 0.439 187 V N 3.377 123.427 119.914 0.227 0.000 2.417 187 V HA 0.598 4.714 4.120 -0.007 0.000 0.291 187 V C -0.286 176.022 176.094 0.356 0.000 1.024 187 V CA -0.929 61.532 62.300 0.268 0.000 0.861 187 V CB 1.532 33.525 31.823 0.283 0.000 0.985 187 V HN 0.774 nan 8.190 nan 0.000 0.436 188 Q N 2.635 122.589 119.800 0.256 0.000 2.341 188 Q HA 0.375 4.711 4.340 -0.007 0.000 0.268 188 Q C -0.624 175.544 176.000 0.280 0.000 1.013 188 Q CA -0.482 55.459 55.803 0.231 0.000 0.798 188 Q CB 1.031 29.833 28.738 0.105 0.000 1.253 188 Q HN 0.894 nan 8.270 nan 0.000 0.457 189 H N 2.242 121.497 119.070 0.309 0.000 2.848 189 H HA 0.233 4.785 4.556 -0.007 0.000 0.317 189 H C 0.468 175.876 175.328 0.133 0.000 1.046 189 H CA 1.087 57.281 56.048 0.244 0.000 1.470 189 H CB 1.025 30.990 29.762 0.337 0.000 1.483 189 H HN 0.784 nan 8.280 nan 0.000 0.548 190 T N 0.544 114.859 114.554 -0.399 0.000 2.964 190 T HA 0.277 4.622 4.350 -0.007 0.000 0.249 190 T C 1.483 175.933 174.700 -0.417 0.000 1.000 190 T CA 0.086 61.992 62.100 -0.322 0.000 0.992 190 T CB -0.245 68.550 68.868 -0.122 0.000 1.087 190 T HN 0.624 nan 8.240 nan 0.000 0.489 191 G N 2.256 110.753 108.800 -0.505 0.000 2.196 191 G HA2 0.191 4.147 3.960 -0.007 0.000 0.448 191 G HA3 0.191 4.147 3.960 -0.007 0.000 0.448 191 G C 1.224 176.048 174.900 -0.127 0.000 1.369 191 G CA 0.782 45.761 45.100 -0.203 0.000 1.136 191 G HN 0.599 nan 8.290 nan 0.000 0.607 192 S N -0.454 115.287 115.700 0.068 0.000 2.359 192 S HA 0.104 4.569 4.470 -0.007 0.000 0.186 192 S C 1.640 176.355 174.600 0.191 0.000 1.163 192 S CA 1.319 59.579 58.200 0.099 0.000 1.479 192 S CB -0.931 62.320 63.200 0.086 0.000 0.880 192 S HN 1.210 nan 8.310 nan 0.000 0.395 193 S N 0.783 116.597 115.700 0.190 0.000 2.623 193 S HA 0.745 5.211 4.470 -0.007 0.000 0.287 193 S C -0.822 173.863 174.600 0.142 0.000 1.123 193 S CA -0.773 57.519 58.200 0.153 0.000 1.016 193 S CB 0.507 63.741 63.200 0.058 0.000 1.233 193 S HN 0.718 nan 8.310 nan 0.000 0.512 194 L N 1.726 122.928 121.223 -0.035 0.000 2.611 194 L HA 0.530 4.866 4.340 -0.007 0.000 0.263 194 L C -2.863 173.897 176.870 -0.183 0.000 0.969 194 L CA -1.635 53.078 54.840 -0.212 0.000 0.894 194 L CB 1.811 43.697 42.059 -0.288 0.000 1.229 194 L HN 0.482 nan 8.230 nan 0.000 0.416 195 P HA 0.284 nan 4.420 nan 0.000 0.274 195 P C -0.248 176.947 177.300 -0.176 0.000 1.237 195 P CA 0.201 63.066 63.100 -0.392 0.000 0.793 195 P CB 0.806 31.932 31.700 -0.956 0.000 0.977 196 S N -0.928 114.728 115.700 -0.073 0.000 3.706 196 S HA -0.186 4.280 4.470 -0.007 0.000 0.363 196 S C 1.324 175.955 174.600 0.052 0.000 0.999 196 S CA 0.549 58.780 58.200 0.051 0.000 1.143 196 S CB -2.204 61.090 63.200 0.156 0.000 0.902 196 S HN 0.824 nan 8.310 nan 0.000 0.476 197 A N 1.484 124.315 122.820 0.017 0.000 1.903 197 A HA -0.127 4.189 4.320 -0.007 0.000 0.219 197 A C 0.144 177.757 177.584 0.047 0.000 1.191 197 A CA 2.198 54.268 52.037 0.054 0.000 0.638 197 A CB -1.722 17.314 19.000 0.059 0.000 0.823 197 A HN 0.566 nan 8.150 nan 0.000 0.451 198 P HA -0.130 nan 4.420 nan 0.000 0.221 198 P C 0.904 178.159 177.300 -0.075 0.000 1.145 198 P CA 1.526 64.589 63.100 -0.062 0.000 0.795 198 P CB -0.210 31.387 31.700 -0.171 0.000 0.775 199 H N -1.319 117.741 119.070 -0.016 0.000 2.363 199 H HA 0.034 4.587 4.556 -0.006 0.000 0.301 199 H C 1.894 177.206 175.328 -0.026 0.000 1.074 199 H CA 0.901 56.941 56.048 -0.014 0.000 1.354 199 H CB -0.272 29.480 29.762 -0.018 0.000 1.397 199 H HN 0.041 nan 8.280 nan 0.000 0.516 200 I N 0.078 120.707 120.570 0.097 0.000 2.353 200 I HA -0.187 3.979 4.170 -0.007 0.000 0.248 200 I C 2.596 178.738 176.117 0.042 0.000 1.119 200 I CA 0.809 62.105 61.300 -0.006 0.000 1.417 200 I CB -0.214 37.765 38.000 -0.034 0.000 1.078 200 I HN 0.283 nan 8.210 nan 0.000 0.421 201 A N 0.621 123.491 122.820 0.083 0.000 2.015 201 A HA -0.213 4.103 4.320 -0.007 0.000 0.219 201 A C 2.396 180.007 177.584 0.044 0.000 1.163 201 A CA 1.463 53.549 52.037 0.082 0.000 0.646 201 A CB -0.577 18.468 19.000 0.075 0.000 0.806 201 A HN 0.488 nan 8.150 nan 0.000 0.448 202 M N -0.691 118.922 119.600 0.022 0.000 2.156 202 M HA -0.115 4.361 4.480 -0.007 0.000 0.264 202 M C 1.971 178.273 176.300 0.003 0.000 1.067 202 M CA 2.132 57.438 55.300 0.010 0.000 1.131 202 M CB -0.384 32.215 32.600 -0.002 0.000 1.368 202 M HN 0.365 nan 8.290 nan 0.000 0.416 203 T N 1.357 115.899 114.554 -0.020 0.000 2.652 203 T HA -0.111 4.235 4.350 -0.007 0.000 0.267 203 T C 1.859 176.533 174.700 -0.043 0.000 1.039 203 T CA 1.778 63.828 62.100 -0.084 0.000 1.153 203 T CB -0.615 68.154 68.868 -0.166 0.000 0.863 203 T HN 0.615 nan 8.240 nan 0.000 0.428 204 A N 1.540 124.359 122.820 -0.002 0.000 1.892 204 A HA -0.006 4.310 4.320 -0.007 0.000 0.218 204 A C 2.639 180.253 177.584 0.051 0.000 1.188 204 A CA 2.207 54.271 52.037 0.046 0.000 0.631 204 A CB -1.207 17.860 19.000 0.111 0.000 0.822 204 A HN 0.540 nan 8.150 nan 0.000 0.447 205 A N -0.832 122.019 122.820 0.053 0.000 1.898 205 A HA -0.078 4.238 4.320 -0.007 0.000 0.216 205 A C 2.261 179.902 177.584 0.094 0.000 1.181 205 A CA 1.788 53.863 52.037 0.064 0.000 0.620 205 A CB -0.500 18.534 19.000 0.056 0.000 0.819 205 A HN 0.540 nan 8.150 nan 0.000 0.442 206 M N -0.735 118.926 119.600 0.101 0.000 2.254 206 M HA 0.003 4.479 4.480 -0.007 0.000 0.265 206 M C 2.035 178.471 176.300 0.227 0.000 1.066 206 M CA 0.872 56.299 55.300 0.212 0.000 1.123 206 M CB -0.400 32.253 32.600 0.088 0.000 1.388 206 M HN 0.355 nan 8.290 nan 0.000 0.425 207 L N -0.142 121.138 121.223 0.095 0.000 2.012 207 L HA -0.236 4.100 4.340 -0.007 0.000 0.210 207 L C 2.658 179.581 176.870 0.089 0.000 1.073 207 L CA 1.540 56.425 54.840 0.075 0.000 0.748 207 L CB -0.527 41.537 42.059 0.009 0.000 0.891 207 L HN 0.278 nan 8.230 nan 0.000 0.431 208 R N -0.426 120.117 120.500 0.072 0.000 2.096 208 R HA -0.192 4.144 4.340 -0.007 0.000 0.235 208 R C 2.214 178.540 176.300 0.044 0.000 1.127 208 R CA 1.276 57.407 56.100 0.050 0.000 0.968 208 R CB -0.296 30.030 30.300 0.042 0.000 0.861 208 R HN 0.511 nan 8.270 nan 0.000 0.440 209 Q N -0.244 119.600 119.800 0.074 0.000 2.291 209 Q HA -0.044 4.292 4.340 -0.007 0.000 0.205 209 Q C 1.527 177.486 176.000 -0.068 0.000 0.970 209 Q CA 1.215 57.016 55.803 -0.004 0.000 0.876 209 Q CB 0.156 28.900 28.738 0.009 0.000 0.935 209 Q HN 0.323 nan 8.270 nan 0.000 0.455 210 A N -0.103 122.761 122.820 0.074 0.000 2.307 210 A HA 0.370 4.686 4.320 -0.007 0.000 0.218 210 A C 1.279 178.881 177.584 0.030 0.000 1.228 210 A CA 0.516 52.599 52.037 0.077 0.000 0.857 210 A CB -0.147 19.015 19.000 0.270 0.000 0.897 210 A HN 0.380 nan 8.150 nan 0.000 0.495 211 G N -0.935 107.872 108.800 0.011 0.000 2.176 211 G HA2 -0.177 3.779 3.960 -0.007 0.000 0.252 211 G HA3 -0.177 3.779 3.960 -0.007 0.000 0.252 211 G C 0.069 174.976 174.900 0.011 0.000 1.024 211 G CA 0.234 45.335 45.100 0.002 0.000 0.755 211 G HN 0.735 nan 8.290 nan 0.000 0.507 212 V N 0.686 120.612 119.914 0.020 0.000 2.567 212 V HA 0.396 4.511 4.120 -0.007 0.000 0.289 212 V C 0.415 176.516 176.094 0.011 0.000 1.049 212 V CA -0.690 61.616 62.300 0.010 0.000 0.969 212 V CB 1.892 33.715 31.823 0.001 0.000 0.995 212 V HN 0.371 nan 8.190 nan 0.000 0.471 213 D N 4.597 125.002 120.400 0.007 0.000 2.380 213 D HA 0.332 4.968 4.640 -0.007 0.000 0.230 213 D C -0.828 175.484 176.300 0.021 0.000 1.154 213 D CA -0.087 53.922 54.000 0.014 0.000 0.859 213 D CB 1.140 41.947 40.800 0.011 0.000 1.045 213 D HN 0.499 nan 8.370 nan 0.000 0.495 214 I N 3.028 123.619 120.570 0.035 0.000 2.498 214 I HA 0.231 4.396 4.170 -0.007 0.000 0.290 214 I C -1.119 175.037 176.117 0.065 0.000 1.032 214 I CA -0.759 60.576 61.300 0.059 0.000 1.073 214 I CB 1.980 40.025 38.000 0.075 0.000 1.251 214 I HN 0.137 nan 8.210 nan 0.000 0.426 215 D N 6.762 127.203 120.400 0.069 0.000 2.373 215 D HA 0.189 4.825 4.640 -0.007 0.000 0.227 215 D C -0.876 175.440 176.300 0.026 0.000 1.091 215 D CA -0.211 53.812 54.000 0.039 0.000 0.840 215 D CB 1.246 42.058 40.800 0.019 0.000 1.060 215 D HN 0.639 nan 8.370 nan 0.000 0.502 216 D N 1.307 121.708 120.400 0.002 0.000 2.696 216 D HA 0.076 4.712 4.640 -0.007 0.000 0.269 216 D C 0.614 176.836 176.300 -0.130 0.000 1.319 216 D CA -0.380 53.555 54.000 -0.108 0.000 0.826 216 D CB 0.289 41.103 40.800 0.024 0.000 1.086 216 D HN 0.027 nan 8.370 nan 0.000 0.481 217 S N -0.570 115.074 115.700 -0.092 0.000 2.453 217 S HA -0.001 4.465 4.470 -0.007 0.000 0.231 217 S C 0.819 175.355 174.600 -0.106 0.000 1.005 217 S CA 0.467 58.621 58.200 -0.076 0.000 0.949 217 S CB 0.024 63.196 63.200 -0.046 0.000 0.774 217 S HN 0.352 nan 8.310 nan 0.000 0.510 218 T N 3.977 118.438 114.554 -0.156 0.000 2.749 218 T HA 0.392 4.738 4.350 -0.007 0.000 0.287 218 T C -2.708 171.833 174.700 -0.265 0.000 0.970 218 T CA -1.492 60.508 62.100 -0.167 0.000 0.980 218 T CB 1.461 70.245 68.868 -0.141 0.000 0.924 218 T HN -0.041 nan 8.240 nan 0.000 0.456 219 P HA 0.199 nan 4.420 nan 0.000 0.267 219 P C 0.327 177.442 177.300 -0.309 0.000 1.200 219 P CA 0.036 62.992 63.100 -0.240 0.000 0.772 219 P CB 0.285 31.921 31.700 -0.106 0.000 0.855 220 N N -0.800 117.627 118.700 -0.454 0.000 2.878 220 N HA -0.207 4.529 4.740 -0.007 0.000 0.247 220 N C -0.035 175.135 175.510 -0.567 0.000 1.021 220 N CA 1.135 53.985 53.050 -0.334 0.000 0.873 220 N CB -1.218 37.290 38.487 0.035 0.000 1.128 220 N HN 0.592 nan 8.380 nan 0.000 0.571 221 R N -0.082 119.805 120.500 -1.021 0.000 2.604 221 R HA 0.490 4.826 4.340 -0.007 0.000 0.281 221 R C -1.566 174.296 176.300 -0.730 0.000 1.020 221 R CA -0.640 55.123 56.100 -0.563 0.000 0.899 221 R CB 1.407 31.561 30.300 -0.244 0.000 1.205 221 R HN 0.089 nan 8.270 nan 0.000 0.450 222 W N 3.410 124.730 121.300 0.033 0.000 2.915 222 W HA 0.389 5.046 4.660 -0.006 0.000 0.337 222 W C -0.877 175.653 176.519 0.018 0.000 1.102 222 W CA -0.789 56.569 57.345 0.021 0.000 1.224 222 W CB 2.504 31.974 29.460 0.016 0.000 1.416 222 W HN 0.472 nan 8.180 nan 0.000 0.503 223 Q N 1.869 121.787 119.800 0.197 0.000 2.310 223 Q HA 0.500 4.836 4.340 -0.007 0.000 0.270 223 Q C -0.896 175.163 176.000 0.098 0.000 1.025 223 Q CA -0.724 55.154 55.803 0.124 0.000 0.772 223 Q CB 3.271 32.050 28.738 0.069 0.000 1.253 223 Q HN 0.121 nan 8.270 nan 0.000 0.450 224 V N 2.812 122.769 119.914 0.071 0.000 2.555 224 V HA 0.462 4.578 4.120 -0.007 0.000 0.302 224 V C -0.183 175.918 176.094 0.011 0.000 1.038 224 V CA -0.833 61.482 62.300 0.025 0.000 0.887 224 V CB 1.814 33.620 31.823 -0.028 0.000 0.991 224 V HN 0.654 nan 8.190 nan 0.000 0.434 225 R N 4.997 125.500 120.500 0.005 0.000 2.349 225 R HA 0.390 4.725 4.340 -0.007 0.000 0.299 225 R C -2.520 173.776 176.300 -0.008 0.000 1.027 225 R CA -1.740 54.365 56.100 0.008 0.000 0.958 225 R CB 1.281 31.588 30.300 0.012 0.000 1.047 225 R HN 0.449 nan 8.270 nan 0.000 0.468 226 P HA 0.087 nan 4.420 nan 0.000 0.265 226 P C -0.137 177.162 177.300 -0.001 0.000 1.193 226 P CA 0.201 63.301 63.100 0.001 0.000 0.765 226 P CB 0.962 32.681 31.700 0.032 0.000 0.823 227 G N 2.660 111.455 108.800 -0.008 0.000 2.322 227 G HA2 0.381 4.337 3.960 -0.007 0.000 0.295 227 G HA3 0.381 4.337 3.960 -0.007 0.000 0.295 227 G C -3.406 171.492 174.900 -0.003 0.000 1.369 227 G CA -0.884 44.215 45.100 -0.002 0.000 0.821 227 G HN 0.332 nan 8.290 nan 0.000 0.536 228 P HA 0.417 nan 4.420 nan 0.000 0.275 228 P C -0.315 176.991 177.300 0.009 0.000 1.227 228 P CA -0.195 62.910 63.100 0.007 0.000 0.781 228 P CB 1.568 33.273 31.700 0.008 0.000 0.906 229 V N 2.837 122.762 119.914 0.018 0.000 2.333 229 V HA 0.406 4.522 4.120 -0.007 0.000 0.274 229 V C 0.838 176.964 176.094 0.052 0.000 1.028 229 V CA -0.843 61.480 62.300 0.038 0.000 0.851 229 V CB 0.589 32.435 31.823 0.038 0.000 1.000 229 V HN 0.719 nan 8.190 nan 0.000 0.456 230 A N 4.405 127.255 122.820 0.049 0.000 2.477 230 A HA 0.666 4.982 4.320 -0.007 0.000 0.246 230 A C 0.733 178.348 177.584 0.052 0.000 1.078 230 A CA 0.148 52.200 52.037 0.025 0.000 0.770 230 A CB 0.343 19.329 19.000 -0.022 0.000 1.011 230 A HN 1.317 nan 8.150 nan 0.000 0.494 231 A N 3.438 126.278 122.820 0.032 0.000 2.347 231 A HA 0.583 4.899 4.320 -0.007 0.000 0.287 231 A C 0.628 178.195 177.584 -0.028 0.000 1.199 231 A CA -0.307 51.757 52.037 0.045 0.000 0.851 231 A CB -0.098 18.925 19.000 0.039 0.000 1.118 231 A HN 1.067 nan 8.150 nan 0.000 0.525 232 R N 1.691 122.146 120.500 -0.075 0.000 2.846 232 R HA 0.678 5.014 4.340 -0.007 0.000 0.263 232 R C -0.541 175.604 176.300 -0.257 0.000 1.080 232 R CA -1.080 54.872 56.100 -0.247 0.000 0.961 232 R CB 1.103 31.115 30.300 -0.479 0.000 1.231 232 R HN 0.565 nan 8.270 nan 0.000 0.465 233 R N 0.728 121.062 120.500 -0.276 0.000 2.297 233 R HA 0.250 4.586 4.340 -0.007 0.000 0.308 233 R C -1.392 174.745 176.300 -0.273 0.000 1.029 233 R CA -0.384 55.624 56.100 -0.153 0.000 0.929 233 R CB 0.715 30.966 30.300 -0.081 0.000 1.046 233 R HN 0.557 nan 8.270 nan 0.000 0.461 234 W N 3.283 124.581 121.300 -0.003 0.000 2.478 234 W HA 0.303 4.959 4.660 -0.006 0.000 0.318 234 W C -0.513 176.003 176.519 -0.004 0.000 1.062 234 W CA -0.543 56.800 57.345 -0.004 0.000 1.210 234 W CB 1.468 30.927 29.460 -0.002 0.000 1.325 234 W HN 0.337 nan 8.180 nan 0.000 0.496 235 D N 3.851 124.370 120.400 0.198 0.000 2.392 235 D HA 0.243 4.879 4.640 -0.007 0.000 0.228 235 D C -0.207 176.158 176.300 0.109 0.000 1.074 235 D CA -0.270 53.798 54.000 0.112 0.000 0.838 235 D CB 1.411 42.243 40.800 0.054 0.000 1.067 235 D HN 0.027 nan 8.370 nan 0.000 0.511 236 I N 2.039 122.660 120.570 0.084 0.000 2.365 236 I HA 0.130 4.296 4.170 -0.007 0.000 0.291 236 I C 1.046 177.175 176.117 0.021 0.000 1.004 236 I CA -0.404 60.929 61.300 0.056 0.000 1.311 236 I CB 0.849 38.876 38.000 0.044 0.000 1.401 236 I HN 0.157 nan 8.210 nan 0.000 0.491 237 E N 6.835 127.033 120.200 -0.004 0.000 2.349 237 E HA 0.275 4.621 4.350 -0.007 0.000 0.265 237 E C -2.264 174.300 176.600 -0.059 0.000 1.064 237 E CA -1.554 54.819 56.400 -0.046 0.000 0.886 237 E CB 0.343 29.989 29.700 -0.089 0.000 1.036 237 E HN 0.329 nan 8.360 nan 0.000 0.413 238 P HA -0.106 nan 4.420 nan 0.000 0.267 238 P C -0.669 176.571 177.300 -0.100 0.000 1.200 238 P CA 0.157 63.215 63.100 -0.071 0.000 0.772 238 P CB 0.417 32.074 31.700 -0.071 0.000 0.855 239 D N 2.708 123.083 120.400 -0.041 0.000 2.346 239 D HA 0.014 4.650 4.640 -0.007 0.000 0.260 239 D C 1.044 177.319 176.300 -0.043 0.000 1.252 239 D CA 0.186 54.169 54.000 -0.029 0.000 0.895 239 D CB 0.513 41.335 40.800 0.036 0.000 1.097 239 D HN 0.285 nan 8.370 nan 0.000 0.489 240 L N 2.847 123.995 121.223 -0.125 0.000 2.240 240 L HA -0.102 4.234 4.340 -0.007 0.000 0.211 240 L C 2.322 179.215 176.870 0.038 0.000 1.106 240 L CA 0.622 55.367 54.840 -0.158 0.000 0.793 240 L CB -0.298 41.555 42.059 -0.342 0.000 0.927 240 L HN 0.373 nan 8.230 nan 0.000 0.446 241 T N -0.588 113.989 114.554 0.038 0.000 2.777 241 T HA -0.146 4.200 4.350 -0.007 0.000 0.266 241 T C 1.625 176.393 174.700 0.114 0.000 1.040 241 T CA 1.535 63.679 62.100 0.074 0.000 1.141 241 T CB -0.320 68.581 68.868 0.054 0.000 0.868 241 T HN 0.416 nan 8.240 nan 0.000 0.444 242 N N 0.944 119.727 118.700 0.139 0.000 2.244 242 N HA 0.020 4.756 4.740 -0.007 0.000 0.183 242 N C 2.175 177.918 175.510 0.388 0.000 1.016 242 N CA 0.666 53.854 53.050 0.230 0.000 0.866 242 N CB -0.149 38.487 38.487 0.248 0.000 0.980 242 N HN 0.344 nan 8.380 nan 0.000 0.430 243 A N 0.725 123.735 122.820 0.317 0.000 1.940 243 A HA -0.108 4.208 4.320 -0.007 0.000 0.219 243 A C 2.311 180.152 177.584 0.429 0.000 1.176 243 A CA 1.119 53.396 52.037 0.400 0.000 0.631 243 A CB -0.668 18.560 19.000 0.380 0.000 0.814 243 A HN 0.111 nan 8.150 nan 0.000 0.446 244 V N -0.302 119.800 119.914 0.313 0.000 2.515 244 V HA -0.228 3.888 4.120 -0.007 0.000 0.250 244 V C 2.999 179.225 176.094 0.221 0.000 1.058 244 V CA 1.693 64.134 62.300 0.234 0.000 1.064 244 V CB -1.070 30.849 31.823 0.160 0.000 0.675 244 V HN 0.631 nan 8.190 nan 0.000 0.461 245 A N -0.187 122.767 122.820 0.224 0.000 1.902 245 A HA -0.197 4.119 4.320 -0.007 0.000 0.217 245 A C 2.000 179.774 177.584 0.317 0.000 1.181 245 A CA 1.913 54.053 52.037 0.172 0.000 0.623 245 A CB -0.705 18.300 19.000 0.008 0.000 0.818 245 A HN 0.491 nan 8.150 nan 0.000 0.443 246 F N -0.012 120.179 119.950 0.402 0.000 2.186 246 F HA -0.058 4.465 4.527 -0.007 0.000 0.299 246 F C 2.063 177.939 175.800 0.125 0.000 1.090 246 F CA 1.148 59.318 58.000 0.284 0.000 1.307 246 F CB -0.472 38.643 39.000 0.191 0.000 1.019 246 F HN 0.079 nan 8.300 nan 0.000 0.489 247 L N -0.996 120.405 121.223 0.297 0.000 2.201 247 L HA -0.179 4.157 4.340 -0.007 0.000 0.212 247 L C 2.332 179.256 176.870 0.089 0.000 1.105 247 L CA 0.884 55.808 54.840 0.140 0.000 0.775 247 L CB -0.815 41.301 42.059 0.094 0.000 0.913 247 L HN 0.045 nan 8.230 nan 0.000 0.440 248 S N 0.207 115.981 115.700 0.123 0.000 2.419 248 S HA -0.157 4.309 4.470 -0.007 0.000 0.233 248 S C 2.237 176.897 174.600 0.100 0.000 1.016 248 S CA 1.064 59.320 58.200 0.092 0.000 0.974 248 S CB -0.231 63.041 63.200 0.120 0.000 0.786 248 S HN 0.514 nan 8.310 nan 0.000 0.492 249 A N 1.625 124.506 122.820 0.103 0.000 1.933 249 A HA 0.091 4.407 4.320 -0.007 0.000 0.218 249 A C 2.360 179.948 177.584 0.005 0.000 1.175 249 A CA 1.635 53.685 52.037 0.022 0.000 0.628 249 A CB -1.003 17.899 19.000 -0.164 0.000 0.814 249 A HN 0.525 nan 8.150 nan 0.000 0.444 250 A N -0.648 122.174 122.820 0.004 0.000 1.930 250 A HA 0.045 4.361 4.320 -0.007 0.000 0.217 250 A C 2.217 179.808 177.584 0.011 0.000 1.175 250 A CA 1.699 53.732 52.037 -0.006 0.000 0.627 250 A CB -0.802 18.185 19.000 -0.021 0.000 0.815 250 A HN 0.365 nan 8.150 nan 0.000 0.443 251 V N 0.213 120.134 119.914 0.012 0.000 2.307 251 V HA -0.209 3.907 4.120 -0.007 0.000 0.245 251 V C 2.660 178.830 176.094 0.126 0.000 1.045 251 V CA 2.018 64.323 62.300 0.008 0.000 1.024 251 V CB -0.691 31.077 31.823 -0.092 0.000 0.651 251 V HN 0.607 nan 8.190 nan 0.000 0.449 252 V N -0.959 119.046 119.914 0.152 0.000 3.129 252 V HA 0.025 4.140 4.120 -0.007 0.000 0.259 252 V C 1.997 178.170 176.094 0.133 0.000 1.116 252 V CA 1.656 64.090 62.300 0.224 0.000 1.127 252 V CB -0.114 31.823 31.823 0.189 0.000 0.742 252 V HN 0.598 nan 8.190 nan 0.000 0.474 253 S N -0.437 115.312 115.700 0.082 0.000 2.539 253 S HA 0.414 4.880 4.470 -0.007 0.000 0.221 253 S C 1.712 176.333 174.600 0.035 0.000 0.987 253 S CA 0.670 58.896 58.200 0.042 0.000 0.929 253 S CB 0.243 63.449 63.200 0.011 0.000 0.832 253 S HN 1.803 nan 8.310 nan 0.000 0.492 254 G N 0.573 109.404 108.800 0.052 0.000 2.179 254 G HA2 -0.135 3.821 3.960 -0.007 0.000 0.257 254 G HA3 -0.135 3.821 3.960 -0.007 0.000 0.257 254 G C 0.543 175.450 174.900 0.012 0.000 1.010 254 G CA 0.237 45.360 45.100 0.039 0.000 0.736 254 G HN 1.065 nan 8.290 nan 0.000 0.513 255 G N -1.659 107.141 108.800 0.001 0.000 2.695 255 G HA2 0.686 4.642 3.960 -0.007 0.000 0.213 255 G HA3 0.686 4.642 3.960 -0.007 0.000 0.213 255 G C -0.349 174.537 174.900 -0.024 0.000 1.406 255 G CA 0.423 45.513 45.100 -0.016 0.000 1.049 255 G HN 0.724 nan 8.290 nan 0.000 0.573 256 T N -0.218 114.316 114.554 -0.033 0.000 2.937 256 T HA 0.517 4.863 4.350 -0.007 0.000 0.297 256 T C -1.081 173.593 174.700 -0.043 0.000 0.991 256 T CA -0.166 61.910 62.100 -0.040 0.000 0.990 256 T CB 1.676 70.520 68.868 -0.040 0.000 0.991 256 T HN 0.327 nan 8.240 nan 0.000 0.440 257 V N 4.505 124.393 119.914 -0.044 0.000 2.531 257 V HA 0.550 4.665 4.120 -0.007 0.000 0.301 257 V C -0.319 175.746 176.094 -0.048 0.000 1.034 257 V CA -1.058 61.221 62.300 -0.034 0.000 0.865 257 V CB 2.004 33.827 31.823 -0.001 0.000 0.995 257 V HN 0.731 nan 8.190 nan 0.000 0.424 258 R N 4.985 125.457 120.500 -0.046 0.000 2.393 258 R HA 0.652 4.988 4.340 -0.007 0.000 0.310 258 R C -1.031 175.255 176.300 -0.024 0.000 0.968 258 R CA -0.699 55.369 56.100 -0.053 0.000 0.867 258 R CB 1.659 31.931 30.300 -0.047 0.000 1.124 258 R HN 0.464 nan 8.270 nan 0.000 0.450 259 I N 3.159 123.733 120.570 0.006 0.000 2.312 259 I HA 0.117 4.283 4.170 -0.007 0.000 0.290 259 I C 1.020 177.202 176.117 0.109 0.000 1.008 259 I CA -0.441 60.910 61.300 0.085 0.000 1.226 259 I CB 1.059 39.213 38.000 0.257 0.000 1.371 259 I HN 0.732 nan 8.210 nan 0.000 0.468 260 T N 1.357 115.947 114.554 0.060 0.000 2.856 260 T HA 0.345 4.691 4.350 -0.007 0.000 0.306 260 T C 1.176 175.939 174.700 0.104 0.000 1.062 260 T CA 0.147 62.286 62.100 0.064 0.000 1.083 260 T CB 1.146 70.029 68.868 0.024 0.000 0.984 260 T HN 1.077 nan 8.240 nan 0.000 0.542 261 G N 1.333 110.196 108.800 0.105 0.000 2.341 261 G HA2 -0.231 3.724 3.960 -0.007 0.000 0.292 261 G HA3 -0.231 3.724 3.960 -0.007 0.000 0.292 261 G C 0.047 175.040 174.900 0.154 0.000 1.021 261 G CA 0.109 45.272 45.100 0.105 0.000 0.905 261 G HN 0.919 nan 8.290 nan 0.000 0.508 262 W N 1.452 122.768 121.300 0.027 0.000 2.251 262 W HA 0.422 5.078 4.660 -0.007 0.000 0.327 262 W C -1.830 174.731 176.519 0.071 0.000 1.361 262 W CA -1.477 55.894 57.345 0.044 0.000 1.234 262 W CB 0.867 30.348 29.460 0.035 0.000 1.212 262 W HN 0.256 nan 8.180 nan 0.000 0.557 263 P HA 0.195 nan 4.420 nan 0.000 0.286 263 P C 0.261 177.671 177.300 0.184 0.000 1.269 263 P CA -0.107 63.010 63.100 0.028 0.000 0.787 263 P CB 1.498 33.135 31.700 -0.106 0.000 0.920 264 R N 2.670 123.275 120.500 0.174 0.000 2.075 264 R HA 0.046 4.382 4.340 -0.007 0.000 0.232 264 R C 0.435 176.788 176.300 0.089 0.000 1.126 264 R CA 1.246 57.428 56.100 0.137 0.000 0.963 264 R CB -0.396 29.928 30.300 0.039 0.000 0.858 264 R HN 0.367 nan 8.270 nan 0.000 0.435 265 V N 0.280 120.227 119.914 0.054 0.000 2.487 265 V HA 0.510 4.626 4.120 -0.007 0.000 0.298 265 V C -1.226 174.878 176.094 0.018 0.000 1.028 265 V CA -0.195 62.127 62.300 0.036 0.000 0.860 265 V CB 1.663 33.499 31.823 0.022 0.000 0.991 265 V HN 0.358 nan 8.190 nan 0.000 0.427 266 S N 3.828 119.534 115.700 0.011 0.000 2.556 266 S HA 0.393 4.859 4.470 -0.007 0.000 0.271 266 S C 0.406 174.997 174.600 -0.014 0.000 1.135 266 S CA 0.026 58.212 58.200 -0.024 0.000 0.858 266 S CB 1.978 65.124 63.200 -0.090 0.000 1.114 266 S HN 1.367 nan 8.310 nan 0.000 0.468 267 V N 0.706 120.609 119.914 -0.018 0.000 3.510 267 V HA 0.275 4.391 4.120 -0.007 0.000 0.270 267 V C 0.441 176.508 176.094 -0.045 0.000 1.201 267 V CA 0.603 62.896 62.300 -0.012 0.000 1.166 267 V CB -1.572 30.258 31.823 0.010 0.000 0.825 267 V HN 0.742 nan 8.190 nan 0.000 0.484 268 Q N 1.335 121.091 119.800 -0.073 0.000 2.215 268 Q HA 0.428 4.764 4.340 -0.007 0.000 0.256 268 Q C -2.377 173.585 176.000 -0.064 0.000 0.972 268 Q CA -2.269 53.470 55.803 -0.106 0.000 0.889 268 Q CB 1.407 30.059 28.738 -0.144 0.000 1.281 268 Q HN 0.178 nan 8.270 nan 0.000 0.456 269 P HA 0.039 nan 4.420 nan 0.000 0.232 269 P C -0.156 177.212 177.300 0.114 0.000 1.738 269 P CA 0.281 63.398 63.100 0.027 0.000 0.948 269 P CB -0.324 31.342 31.700 -0.056 0.000 1.943 270 A N 1.048 123.939 122.820 0.117 0.000 1.940 270 A HA -0.203 4.113 4.320 -0.007 0.000 0.219 270 A C 1.876 179.635 177.584 0.291 0.000 1.176 270 A CA 1.636 53.829 52.037 0.260 0.000 0.631 270 A CB -0.664 18.518 19.000 0.305 0.000 0.814 270 A HN 0.186 nan 8.150 nan 0.000 0.446 271 D N -1.112 119.416 120.400 0.214 0.000 2.117 271 D HA -0.106 4.530 4.640 -0.007 0.000 0.198 271 D C 1.688 178.061 176.300 0.121 0.000 0.982 271 D CA 1.464 55.554 54.000 0.151 0.000 0.828 271 D CB -0.521 40.332 40.800 0.088 0.000 0.967 271 D HN 0.668 nan 8.370 nan 0.000 0.464 272 H N 0.023 119.137 119.070 0.073 0.000 2.387 272 H HA -0.005 4.547 4.556 -0.007 0.000 0.299 272 H C 2.149 177.512 175.328 0.058 0.000 1.090 272 H CA 0.949 57.030 56.048 0.055 0.000 1.332 272 H CB -0.012 29.778 29.762 0.047 0.000 1.386 272 H HN 0.100 nan 8.280 nan 0.000 0.516 273 I N -0.227 120.476 120.570 0.222 0.000 2.133 273 I HA -0.249 3.917 4.170 -0.007 0.000 0.238 273 I C 1.982 178.161 176.117 0.104 0.000 1.074 273 I CA 0.925 62.329 61.300 0.173 0.000 1.342 273 I CB -0.183 37.967 38.000 0.250 0.000 1.053 273 I HN 0.201 nan 8.210 nan 0.000 0.404 274 L N 0.436 121.727 121.223 0.112 0.000 2.013 274 L HA -0.269 4.067 4.340 -0.007 0.000 0.212 274 L C 2.824 179.688 176.870 -0.011 0.000 1.073 274 L CA 1.631 56.480 54.840 0.015 0.000 0.753 274 L CB -0.998 41.081 42.059 0.033 0.000 0.890 274 L HN 0.293 nan 8.230 nan 0.000 0.432 275 A N 0.082 122.907 122.820 0.009 0.000 1.933 275 A HA -0.183 4.133 4.320 -0.007 0.000 0.218 275 A C 2.189 179.746 177.584 -0.045 0.000 1.175 275 A CA 1.591 53.614 52.037 -0.024 0.000 0.628 275 A CB -0.592 18.384 19.000 -0.039 0.000 0.814 275 A HN 0.361 nan 8.150 nan 0.000 0.444 276 I N -0.445 120.105 120.570 -0.034 0.000 2.286 276 I HA -0.209 3.957 4.170 -0.007 0.000 0.245 276 I C 2.297 178.317 176.117 -0.161 0.000 1.104 276 I CA 0.801 62.048 61.300 -0.088 0.000 1.397 276 I CB -0.205 37.762 38.000 -0.056 0.000 1.072 276 I HN 0.288 nan 8.210 nan 0.000 0.417 277 L N 0.059 121.207 121.223 -0.125 0.000 2.012 277 L HA -0.228 4.107 4.340 -0.007 0.000 0.210 277 L C 2.655 179.428 176.870 -0.161 0.000 1.073 277 L CA 1.523 56.267 54.840 -0.161 0.000 0.748 277 L CB -0.643 41.342 42.059 -0.124 0.000 0.891 277 L HN 0.158 nan 8.230 nan 0.000 0.431 278 R N -0.456 119.974 120.500 -0.115 0.000 2.152 278 R HA -0.177 4.158 4.340 -0.007 0.000 0.232 278 R C 2.277 178.521 176.300 -0.093 0.000 1.117 278 R CA 0.922 56.966 56.100 -0.093 0.000 0.981 278 R CB -0.278 29.983 30.300 -0.064 0.000 0.870 278 R HN 0.475 nan 8.270 nan 0.000 0.451 279 Q N 0.198 119.930 119.800 -0.115 0.000 2.152 279 Q HA -0.157 4.179 4.340 -0.007 0.000 0.206 279 Q C 0.879 176.806 176.000 -0.122 0.000 0.985 279 Q CA 1.149 56.888 55.803 -0.106 0.000 0.863 279 Q CB 0.080 28.736 28.738 -0.137 0.000 0.904 279 Q HN 0.175 nan 8.270 nan 0.000 0.422 280 L N 0.445 121.535 121.223 -0.221 0.000 2.645 280 L HA 0.068 4.404 4.340 -0.007 0.000 0.234 280 L C 0.105 176.907 176.870 -0.113 0.000 1.165 280 L CA 0.533 55.233 54.840 -0.235 0.000 0.944 280 L CB -0.522 41.214 42.059 -0.539 0.000 1.149 280 L HN 0.215 nan 8.230 nan 0.000 0.446 281 N N -1.424 117.233 118.700 -0.072 0.000 2.753 281 N HA -0.204 4.532 4.740 -0.007 0.000 0.251 281 N C 0.460 175.943 175.510 -0.045 0.000 1.097 281 N CA 0.729 53.759 53.050 -0.032 0.000 0.786 281 N CB -0.598 37.899 38.487 0.017 0.000 1.137 281 N HN 0.469 nan 8.380 nan 0.000 0.566 282 A N -0.428 122.339 122.820 -0.088 0.000 2.466 282 A HA 0.421 4.737 4.320 -0.007 0.000 0.238 282 A C 0.506 178.046 177.584 -0.074 0.000 1.074 282 A CA 0.085 52.072 52.037 -0.084 0.000 0.774 282 A CB 0.605 19.534 19.000 -0.117 0.000 1.015 282 A HN 0.131 nan 8.150 nan 0.000 0.498 283 V N 2.837 122.709 119.914 -0.069 0.000 2.350 283 V HA 0.352 4.468 4.120 -0.007 0.000 0.276 283 V C -0.261 175.771 176.094 -0.103 0.000 1.028 283 V CA -0.279 61.979 62.300 -0.070 0.000 0.860 283 V CB 1.144 32.936 31.823 -0.052 0.000 0.990 283 V HN 0.579 nan 8.190 nan 0.000 0.453 284 V N 7.268 127.110 119.914 -0.119 0.000 2.378 284 V HA 0.606 4.722 4.120 -0.007 0.000 0.288 284 V C -0.297 175.688 176.094 -0.183 0.000 1.016 284 V CA -0.485 61.703 62.300 -0.187 0.000 0.840 284 V CB 1.430 33.129 31.823 -0.207 0.000 0.994 284 V HN 0.827 nan 8.190 nan 0.000 0.431 285 I N 1.140 121.575 120.570 -0.224 0.000 2.730 285 I HA 0.668 4.834 4.170 -0.007 0.000 0.298 285 I C -0.718 175.239 176.117 -0.268 0.000 1.089 285 I CA -0.661 60.541 61.300 -0.163 0.000 1.041 285 I CB 2.166 40.120 38.000 -0.078 0.000 1.235 285 I HN 0.547 nan 8.210 nan 0.000 0.423 286 H N 4.820 123.820 119.070 -0.117 0.000 2.668 286 H HA 0.814 5.366 4.556 -0.007 0.000 0.303 286 H C -0.326 174.970 175.328 -0.054 0.000 1.074 286 H CA 0.271 56.262 56.048 -0.096 0.000 1.406 286 H CB 1.210 30.938 29.762 -0.056 0.000 1.442 286 H HN 0.891 nan 8.280 nan 0.000 0.482 287 A N 2.401 125.243 122.820 0.038 0.000 2.459 287 A HA 0.431 4.746 4.320 -0.007 0.000 0.296 287 A C -0.689 176.914 177.584 0.032 0.000 1.039 287 A CA -1.143 50.909 52.037 0.026 0.000 0.698 287 A CB 0.559 19.554 19.000 -0.009 0.000 1.261 287 A HN 0.873 nan 8.150 nan 0.000 0.405 288 D N 2.204 122.626 120.400 0.036 0.000 2.692 288 D HA -0.199 4.437 4.640 -0.007 0.000 0.233 288 D C 0.693 177.022 176.300 0.049 0.000 1.172 288 D CA 2.118 56.139 54.000 0.033 0.000 0.636 288 D CB -1.825 38.986 40.800 0.019 0.000 1.028 288 D HN 1.953 nan 8.370 nan 0.000 0.419 289 S N -3.497 112.248 115.700 0.074 0.000 3.561 289 S HA -0.274 4.192 4.470 -0.007 0.000 0.318 289 S C 0.299 174.974 174.600 0.124 0.000 1.181 289 S CA 0.753 59.015 58.200 0.103 0.000 0.916 289 S CB -2.346 60.899 63.200 0.076 0.000 0.966 289 S HN 1.650 nan 8.310 nan 0.000 0.550 290 S N -0.188 115.572 115.700 0.101 0.000 2.595 290 S HA 0.813 5.279 4.470 -0.007 0.000 0.281 290 S C -0.863 173.731 174.600 -0.010 0.000 1.117 290 S CA -0.906 57.347 58.200 0.088 0.000 0.873 290 S CB 2.006 65.229 63.200 0.040 0.000 1.108 290 S HN 1.272 nan 8.310 nan 0.000 0.477 291 L N 1.717 122.888 121.223 -0.087 0.000 2.295 291 L HA 0.649 4.985 4.340 -0.007 0.000 0.285 291 L C -0.225 176.451 176.870 -0.323 0.000 1.035 291 L CA -0.074 54.501 54.840 -0.443 0.000 0.806 291 L CB 1.308 42.703 42.059 -1.107 0.000 1.214 291 L HN 0.946 nan 8.230 nan 0.000 0.426 292 E N 3.976 123.987 120.200 -0.315 0.000 2.171 292 E HA 0.548 4.894 4.350 -0.007 0.000 0.271 292 E C -1.794 174.671 176.600 -0.224 0.000 0.916 292 E CA -0.747 55.529 56.400 -0.207 0.000 0.774 292 E CB 1.769 31.387 29.700 -0.136 0.000 1.128 292 E HN 0.489 nan 8.360 nan 0.000 0.403 293 V N 5.136 124.946 119.914 -0.172 0.000 2.540 293 V HA 0.453 4.569 4.120 -0.007 0.000 0.302 293 V C -0.361 175.677 176.094 -0.093 0.000 1.035 293 V CA -0.785 61.428 62.300 -0.146 0.000 0.873 293 V CB 1.725 33.463 31.823 -0.142 0.000 0.992 293 V HN 0.668 nan 8.190 nan 0.000 0.428 294 R N 3.013 123.464 120.500 -0.081 0.000 2.265 294 R HA 0.581 4.917 4.340 -0.007 0.000 0.328 294 R C 0.394 176.668 176.300 -0.043 0.000 0.969 294 R CA -0.426 55.642 56.100 -0.053 0.000 0.832 294 R CB 1.825 32.097 30.300 -0.047 0.000 1.139 294 R HN 0.879 nan 8.270 nan 0.000 0.457 295 G N 3.823 112.608 108.800 -0.025 0.000 2.539 295 G HA2 0.302 4.258 3.960 -0.007 0.000 0.258 295 G HA3 0.302 4.258 3.960 -0.007 0.000 0.258 295 G C -2.069 172.840 174.900 0.017 0.000 1.202 295 G CA -0.887 44.209 45.100 -0.008 0.000 0.851 295 G HN 0.323 nan 8.290 nan 0.000 0.556 296 P HA 0.153 nan 4.420 nan 0.000 0.282 296 P C 0.890 178.239 177.300 0.081 0.000 1.287 296 P CA -0.069 63.067 63.100 0.061 0.000 0.792 296 P CB 0.985 32.737 31.700 0.087 0.000 1.163 297 T N -3.983 110.608 114.554 0.062 0.000 3.088 297 T HA 0.351 4.697 4.350 -0.007 0.000 0.259 297 T C 0.921 175.653 174.700 0.053 0.000 1.122 297 T CA 0.446 62.575 62.100 0.048 0.000 1.095 297 T CB -0.617 68.268 68.868 0.027 0.000 0.930 297 T HN 0.725 nan 8.240 nan 0.000 0.508 298 G N 0.240 109.093 108.800 0.087 0.000 2.523 298 G HA2 0.537 4.493 3.960 -0.007 0.000 0.291 298 G HA3 0.537 4.493 3.960 -0.007 0.000 0.291 298 G C -2.090 172.909 174.900 0.165 0.000 1.450 298 G CA -0.960 44.172 45.100 0.053 0.000 0.790 298 G HN 0.551 nan 8.290 nan 0.000 0.496 299 Y N -1.263 119.067 120.300 0.050 0.000 2.592 299 Y HA 0.745 5.291 4.550 -0.007 0.000 0.334 299 Y C -1.191 174.762 175.900 0.088 0.000 1.136 299 Y CA -1.420 56.723 58.100 0.072 0.000 1.042 299 Y CB 1.083 39.596 38.460 0.088 0.000 1.325 299 Y HN 0.484 nan 8.280 nan 0.000 0.457 300 D N 0.714 121.262 120.400 0.248 0.000 2.564 300 D HA 0.437 5.073 4.640 -0.007 0.000 0.273 300 D C 0.139 176.605 176.300 0.277 0.000 1.192 300 D CA -0.182 53.912 54.000 0.158 0.000 1.080 300 D CB 1.034 41.894 40.800 0.099 0.000 1.160 300 D HN 0.981 nan 8.370 nan 0.000 0.607 301 G N -0.807 108.060 108.800 0.110 0.000 2.544 301 G HA2 0.439 4.395 3.960 -0.007 0.000 0.242 301 G HA3 0.439 4.395 3.960 -0.007 0.000 0.242 301 G C -0.694 174.251 174.900 0.076 0.000 1.247 301 G CA -0.111 44.973 45.100 -0.026 0.000 0.840 301 G HN 0.323 nan 8.290 nan 0.000 0.578 302 F N -1.130 118.870 119.950 0.083 0.000 2.599 302 F HA 0.658 5.181 4.527 -0.007 0.000 0.311 302 F C -1.195 174.632 175.800 0.046 0.000 1.076 302 F CA -1.907 56.128 58.000 0.058 0.000 0.937 302 F CB 1.641 40.671 39.000 0.049 0.000 1.282 302 F HN 0.240 nan 8.300 nan 0.000 0.460 303 D N 1.356 121.899 120.400 0.239 0.000 2.217 303 D HA 0.572 5.208 4.640 -0.007 0.000 0.243 303 D C -1.254 175.184 176.300 0.230 0.000 1.054 303 D CA -0.360 53.743 54.000 0.170 0.000 0.838 303 D CB 2.270 43.125 40.800 0.092 0.000 1.162 303 D HN 0.636 nan 8.370 nan 0.000 0.472 304 V N 2.000 122.047 119.914 0.221 0.000 2.668 304 V HA 0.281 4.397 4.120 -0.007 0.000 0.304 304 V C -1.621 174.555 176.094 0.138 0.000 1.071 304 V CA -0.798 61.615 62.300 0.188 0.000 0.894 304 V CB 2.184 34.147 31.823 0.233 0.000 1.008 304 V HN 0.472 nan 8.190 nan 0.000 0.425 305 D N 5.261 125.730 120.400 0.115 0.000 2.277 305 D HA 0.344 4.980 4.640 -0.007 0.000 0.249 305 D C 0.343 176.716 176.300 0.123 0.000 1.134 305 D CA 0.073 54.138 54.000 0.108 0.000 0.863 305 D CB 1.506 42.365 40.800 0.099 0.000 1.143 305 D HN 0.545 nan 8.370 nan 0.000 0.458 306 L N 3.690 124.980 121.223 0.113 0.000 2.959 306 L HA 0.210 4.546 4.340 -0.007 0.000 0.259 306 L C 1.927 178.870 176.870 0.122 0.000 1.185 306 L CA -0.362 54.544 54.840 0.110 0.000 0.998 306 L CB 0.114 42.225 42.059 0.088 0.000 1.337 306 L HN 0.295 nan 8.230 nan 0.000 0.555 307 R N 2.126 122.704 120.500 0.130 0.000 2.133 307 R HA -0.193 4.143 4.340 -0.007 0.000 0.247 307 R C 1.876 178.219 176.300 0.072 0.000 1.151 307 R CA 2.247 58.425 56.100 0.130 0.000 0.971 307 R CB -0.282 30.066 30.300 0.081 0.000 0.866 307 R HN 0.308 nan 8.270 nan 0.000 0.447 308 A N -0.511 122.322 122.820 0.022 0.000 2.195 308 A HA 0.207 4.523 4.320 -0.007 0.000 0.210 308 A C 0.686 178.189 177.584 -0.135 0.000 1.165 308 A CA 0.557 52.536 52.037 -0.097 0.000 0.806 308 A CB 0.377 19.221 19.000 -0.260 0.000 0.847 308 A HN 0.326 nan 8.150 nan 0.000 0.482 309 V N -3.999 115.890 119.914 -0.042 0.000 2.719 309 V HA 0.503 4.619 4.120 -0.007 0.000 0.330 309 V C 1.050 177.191 176.094 0.078 0.000 1.224 309 V CA -0.025 62.272 62.300 -0.005 0.000 1.314 309 V CB -0.491 31.302 31.823 -0.050 0.000 1.416 309 V HN 0.204 nan 8.190 nan 0.000 0.651 310 G N 1.989 110.876 108.800 0.146 0.000 2.475 310 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.220 310 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.220 310 G C 1.304 176.256 174.900 0.087 0.000 1.125 310 G CA 1.281 46.445 45.100 0.107 0.000 0.755 310 G HN 0.801 nan 8.290 nan 0.000 0.565 311 E N 0.945 121.233 120.200 0.146 0.000 2.204 311 E HA -0.116 4.230 4.350 -0.007 0.000 0.195 311 E C 2.250 178.877 176.600 0.046 0.000 0.990 311 E CA 0.622 57.090 56.400 0.114 0.000 0.821 311 E CB -0.614 29.156 29.700 0.117 0.000 0.750 311 E HN 0.492 nan 8.360 nan 0.000 0.477 312 L N 1.319 122.571 121.223 0.049 0.000 2.552 312 L HA -0.018 4.318 4.340 -0.007 0.000 0.227 312 L C 2.197 179.086 176.870 0.032 0.000 1.146 312 L CA 0.858 55.720 54.840 0.037 0.000 0.858 312 L CB -0.516 41.573 42.059 0.050 0.000 0.969 312 L HN 0.097 nan 8.230 nan 0.000 0.451 313 T N 0.525 115.094 114.554 0.025 0.000 2.684 313 T HA -0.120 4.225 4.350 -0.007 0.000 0.267 313 T C -0.452 174.267 174.700 0.032 0.000 1.036 313 T CA 1.482 63.596 62.100 0.023 0.000 1.148 313 T CB -0.898 67.957 68.868 -0.021 0.000 0.863 313 T HN 0.266 nan 8.240 nan 0.000 0.436 314 P HA 0.005 nan 4.420 nan 0.000 0.215 314 P C 1.774 179.094 177.300 0.034 0.000 1.157 314 P CA 1.049 64.169 63.100 0.034 0.000 0.863 314 P CB -0.107 31.593 31.700 0.000 0.000 0.787 315 S N -0.777 114.928 115.700 0.007 0.000 2.382 315 S HA -0.092 4.374 4.470 -0.007 0.000 0.228 315 S C 1.955 176.588 174.600 0.057 0.000 1.027 315 S CA 1.109 59.317 58.200 0.013 0.000 0.991 315 S CB -1.154 62.053 63.200 0.012 0.000 0.823 315 S HN -0.052 nan 8.310 nan 0.000 0.469 316 V N 1.768 121.725 119.914 0.072 0.000 2.667 316 V HA -0.096 4.020 4.120 -0.007 0.000 0.252 316 V C 2.491 178.707 176.094 0.204 0.000 1.065 316 V CA 1.401 63.777 62.300 0.127 0.000 1.083 316 V CB -1.046 30.851 31.823 0.123 0.000 0.692 316 V HN 0.520 nan 8.190 nan 0.000 0.468 317 A N 0.119 123.026 122.820 0.144 0.000 1.969 317 A HA -0.022 4.294 4.320 -0.007 0.000 0.218 317 A C 2.427 180.102 177.584 0.152 0.000 1.169 317 A CA 1.705 53.829 52.037 0.145 0.000 0.635 317 A CB -0.577 18.494 19.000 0.118 0.000 0.810 317 A HN 0.531 nan 8.150 nan 0.000 0.445 318 A N -0.005 122.886 122.820 0.119 0.000 1.902 318 A HA -0.053 4.263 4.320 -0.007 0.000 0.217 318 A C 2.135 179.808 177.584 0.149 0.000 1.181 318 A CA 1.481 53.565 52.037 0.079 0.000 0.623 318 A CB -0.598 18.395 19.000 -0.012 0.000 0.818 318 A HN 0.475 nan 8.150 nan 0.000 0.443 319 L N -0.856 120.487 121.223 0.201 0.000 2.083 319 L HA -0.191 4.145 4.340 -0.007 0.000 0.209 319 L C 3.071 180.232 176.870 0.485 0.000 1.083 319 L CA 1.041 56.066 54.840 0.309 0.000 0.752 319 L CB -0.571 41.595 42.059 0.178 0.000 0.899 319 L HN 0.439 nan 8.230 nan 0.000 0.433 320 A N 0.060 123.133 122.820 0.421 0.000 1.933 320 A HA -0.119 4.197 4.320 -0.007 0.000 0.218 320 A C 2.503 180.153 177.584 0.109 0.000 1.175 320 A CA 1.582 53.727 52.037 0.180 0.000 0.628 320 A CB -0.585 18.393 19.000 -0.036 0.000 0.814 320 A HN 0.393 nan 8.150 nan 0.000 0.444 321 A N -0.638 122.256 122.820 0.124 0.000 2.015 321 A HA 0.139 4.455 4.320 -0.007 0.000 0.219 321 A C 1.752 179.379 177.584 0.072 0.000 1.163 321 A CA 1.110 53.198 52.037 0.085 0.000 0.646 321 A CB -0.365 18.695 19.000 0.101 0.000 0.806 321 A HN 0.450 nan 8.150 nan 0.000 0.448 322 L N -0.476 120.817 121.223 0.115 0.000 2.653 322 L HA 0.289 4.625 4.340 -0.007 0.000 0.231 322 L C 1.153 177.968 176.870 -0.091 0.000 1.153 322 L CA -0.272 54.606 54.840 0.063 0.000 0.933 322 L CB -0.334 41.805 42.059 0.133 0.000 1.175 322 L HN 0.371 nan 8.230 nan 0.000 0.473 323 A N 0.083 122.849 122.820 -0.090 0.000 2.327 323 A HA 0.292 4.608 4.320 -0.007 0.000 0.255 323 A C 0.739 178.150 177.584 -0.287 0.000 1.099 323 A CA -0.087 51.726 52.037 -0.373 0.000 0.801 323 A CB 0.377 19.373 19.000 -0.008 0.000 1.062 323 A HN 0.226 nan 8.150 nan 0.000 0.496 324 S N 0.790 116.316 115.700 -0.290 0.000 2.558 324 S HA 0.195 4.661 4.470 -0.007 0.000 0.293 324 S C -2.362 172.182 174.600 -0.093 0.000 1.292 324 S CA -0.804 57.299 58.200 -0.161 0.000 1.063 324 S CB -0.355 62.779 63.200 -0.110 0.000 0.831 324 S HN 0.419 nan 8.310 nan 0.000 0.499 325 P HA 0.102 nan 4.420 nan 0.000 0.255 325 P C 1.029 178.308 177.300 -0.035 0.000 1.161 325 P CA 1.722 64.796 63.100 -0.044 0.000 0.768 325 P CB -0.309 31.371 31.700 -0.035 0.000 0.746 326 G N 2.259 111.041 108.800 -0.030 0.000 2.234 326 G HA2 -0.246 3.710 3.960 -0.007 0.000 0.235 326 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.235 326 G C 0.386 175.268 174.900 -0.029 0.000 0.997 326 G CA -0.024 45.061 45.100 -0.025 0.000 0.623 326 G HN 0.563 nan 8.290 nan 0.000 0.514 327 S N 0.235 115.912 115.700 -0.038 0.000 2.552 327 S HA 0.409 4.875 4.470 -0.007 0.000 0.289 327 S C 0.477 175.041 174.600 -0.061 0.000 1.304 327 S CA 0.199 58.374 58.200 -0.041 0.000 1.063 327 S CB 1.867 65.042 63.200 -0.041 0.000 0.848 327 S HN 0.804 nan 8.310 nan 0.000 0.499 328 V N 3.697 123.572 119.914 -0.065 0.000 2.398 328 V HA 0.446 4.562 4.120 -0.007 0.000 0.286 328 V C 0.116 176.121 176.094 -0.148 0.000 1.026 328 V CA -0.439 61.809 62.300 -0.085 0.000 0.868 328 V CB 1.627 33.419 31.823 -0.052 0.000 0.982 328 V HN 0.865 nan 8.190 nan 0.000 0.443 329 S N 4.920 120.488 115.700 -0.220 0.000 2.513 329 S HA 0.687 5.153 4.470 -0.007 0.000 0.299 329 S C -0.557 173.921 174.600 -0.202 0.000 1.087 329 S CA -0.917 57.061 58.200 -0.369 0.000 1.012 329 S CB 1.640 64.357 63.200 -0.805 0.000 1.044 329 S HN 0.702 nan 8.310 nan 0.000 0.485 330 R N 1.588 122.012 120.500 -0.127 0.000 2.439 330 R HA 0.512 4.848 4.340 -0.007 0.000 0.310 330 R C -1.695 174.619 176.300 0.025 0.000 0.955 330 R CA -0.839 55.240 56.100 -0.035 0.000 0.853 330 R CB 0.983 31.278 30.300 -0.008 0.000 1.171 330 R HN 0.279 nan 8.270 nan 0.000 0.449 331 L N 2.345 123.586 121.223 0.031 0.000 2.282 331 L HA 0.422 4.758 4.340 -0.007 0.000 0.288 331 L C 0.206 177.105 176.870 0.049 0.000 1.033 331 L CA 0.062 54.944 54.840 0.070 0.000 0.807 331 L CB 1.611 43.713 42.059 0.073 0.000 1.209 331 L HN 0.774 nan 8.230 nan 0.000 0.423 332 S N 0.284 116.022 115.700 0.064 0.000 2.667 332 S HA 0.872 5.338 4.470 -0.007 0.000 0.292 332 S C 0.500 175.142 174.600 0.070 0.000 1.126 332 S CA -0.142 58.091 58.200 0.054 0.000 0.881 332 S CB 1.929 65.162 63.200 0.054 0.000 1.132 332 S HN 1.191 nan 8.310 nan 0.000 0.492 333 G N 0.239 109.083 108.800 0.073 0.000 2.157 333 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.239 333 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.239 333 G C 0.222 175.224 174.900 0.171 0.000 0.982 333 G CA 0.229 45.392 45.100 0.106 0.000 0.650 333 G HN 1.680 nan 8.290 nan 0.000 0.527 334 I N -2.900 117.722 120.570 0.087 0.000 3.569 334 I HA 0.734 4.900 4.170 -0.007 0.000 0.334 334 I C 1.814 177.852 176.117 -0.132 0.000 1.570 334 I CA 0.137 61.416 61.300 -0.035 0.000 1.082 334 I CB 0.279 38.196 38.000 -0.139 0.000 1.323 334 I HN 0.073 nan 8.210 nan 0.000 0.489 335 A N 2.304 125.147 122.820 0.039 0.000 1.997 335 A HA -0.266 4.050 4.320 -0.007 0.000 0.221 335 A C 2.225 179.788 177.584 -0.035 0.000 1.172 335 A CA 2.331 54.372 52.037 0.007 0.000 0.645 335 A CB -1.123 17.910 19.000 0.056 0.000 0.813 335 A HN 0.817 nan 8.150 nan 0.000 0.454 336 H N -1.674 117.339 119.070 -0.096 0.000 2.561 336 H HA 0.064 4.616 4.556 -0.007 0.000 0.278 336 H C 1.405 176.585 175.328 -0.247 0.000 1.014 336 H CA 1.053 57.029 56.048 -0.120 0.000 1.211 336 H CB -0.551 29.157 29.762 -0.091 0.000 1.365 336 H HN 0.353 nan 8.280 nan 0.000 0.594 337 L N 1.205 122.028 121.223 -0.667 0.000 2.395 337 L HA 0.018 4.354 4.340 -0.007 0.000 0.218 337 L C 2.454 179.100 176.870 -0.372 0.000 1.130 337 L CA 0.777 55.158 54.840 -0.764 0.000 0.826 337 L CB -0.301 41.373 42.059 -0.641 0.000 0.941 337 L HN 0.147 nan 8.230 nan 0.000 0.451 338 R N -0.884 119.485 120.500 -0.220 0.000 2.241 338 R HA -0.054 4.282 4.340 -0.007 0.000 0.224 338 R C 1.691 177.954 176.300 -0.063 0.000 1.101 338 R CA 1.039 57.070 56.100 -0.116 0.000 0.995 338 R CB -0.520 29.736 30.300 -0.074 0.000 0.870 338 R HN 0.416 nan 8.270 nan 0.000 0.463 339 G N -0.491 108.281 108.800 -0.046 0.000 3.233 339 G HA2 0.029 3.985 3.960 -0.007 0.000 0.234 339 G HA3 0.029 3.985 3.960 -0.007 0.000 0.234 339 G C 0.126 175.099 174.900 0.121 0.000 1.137 339 G CA -0.347 44.774 45.100 0.034 0.000 0.763 339 G HN 0.282 nan 8.290 nan 0.000 0.549 340 H N 0.015 119.048 119.070 -0.061 0.000 2.277 340 H HA 0.069 4.621 4.556 -0.007 0.000 0.301 340 H C 1.869 177.174 175.328 -0.040 0.000 1.655 340 H CA 0.294 56.306 56.048 -0.060 0.000 1.483 340 H CB 0.795 30.512 29.762 -0.076 0.000 1.741 340 H HN 0.320 nan 8.280 nan 0.000 0.712 341 E N 0.297 120.531 120.200 0.057 0.000 2.209 341 E HA -0.120 4.226 4.350 -0.007 0.000 0.196 341 E C 0.470 177.095 176.600 0.041 0.000 0.993 341 E CA 1.098 57.510 56.400 0.021 0.000 0.819 341 E CB 0.214 29.915 29.700 0.001 0.000 0.745 341 E HN 0.248 nan 8.360 nan 0.000 0.477 342 T N -0.174 114.406 114.554 0.042 0.000 2.901 342 T HA 0.088 4.434 4.350 -0.007 0.000 0.293 342 T C -1.540 173.142 174.700 -0.030 0.000 1.084 342 T CA -0.812 61.292 62.100 0.006 0.000 1.008 342 T CB 1.764 70.622 68.868 -0.018 0.000 1.170 342 T HN 0.068 nan 8.240 nan 0.000 0.509 343 D N 1.754 122.114 120.400 -0.067 0.000 2.357 343 D HA 0.100 4.736 4.640 -0.007 0.000 0.265 343 D C 1.223 177.423 176.300 -0.167 0.000 1.334 343 D CA 0.163 54.103 54.000 -0.101 0.000 0.984 343 D CB 0.384 41.131 40.800 -0.088 0.000 1.077 343 D HN 0.449 nan 8.370 nan 0.000 0.514 344 R N 2.663 123.068 120.500 -0.159 0.000 2.237 344 R HA -0.015 4.320 4.340 -0.007 0.000 0.219 344 R C 1.835 178.026 176.300 -0.181 0.000 1.080 344 R CA 0.603 56.596 56.100 -0.180 0.000 0.995 344 R CB 0.180 30.405 30.300 -0.125 0.000 0.875 344 R HN 0.501 nan 8.270 nan 0.000 0.462 345 L N -0.359 120.765 121.223 -0.165 0.000 2.072 345 L HA -0.048 4.288 4.340 -0.007 0.000 0.205 345 L C 2.637 179.429 176.870 -0.130 0.000 1.079 345 L CA 1.038 55.800 54.840 -0.130 0.000 0.752 345 L CB -0.611 41.381 42.059 -0.112 0.000 0.906 345 L HN 0.188 nan 8.230 nan 0.000 0.436 346 A N 0.460 123.194 122.820 -0.144 0.000 1.877 346 A HA -0.167 4.149 4.320 -0.007 0.000 0.216 346 A C 2.567 180.027 177.584 -0.207 0.000 1.186 346 A CA 1.829 53.782 52.037 -0.139 0.000 0.620 346 A CB -0.761 18.168 19.000 -0.118 0.000 0.822 346 A HN 0.377 nan 8.150 nan 0.000 0.443 347 A N -0.334 122.272 122.820 -0.358 0.000 1.865 347 A HA -0.090 4.226 4.320 -0.007 0.000 0.217 347 A C 2.221 179.552 177.584 -0.421 0.000 1.191 347 A CA 1.629 53.278 52.037 -0.648 0.000 0.623 347 A CB -0.706 17.660 19.000 -1.058 0.000 0.826 347 A HN 0.471 nan 8.150 nan 0.000 0.444 348 L N -0.856 120.206 121.223 -0.268 0.000 2.046 348 L HA -0.171 4.165 4.340 -0.007 0.000 0.208 348 L C 2.955 179.764 176.870 -0.101 0.000 1.077 348 L CA 1.521 56.282 54.840 -0.131 0.000 0.747 348 L CB -0.441 41.602 42.059 -0.027 0.000 0.896 348 L HN 0.505 nan 8.230 nan 0.000 0.432 349 S N -0.869 114.773 115.700 -0.096 0.000 2.353 349 S HA -0.227 4.239 4.470 -0.007 0.000 0.222 349 S C 2.009 176.563 174.600 -0.077 0.000 1.035 349 S CA 2.190 60.352 58.200 -0.064 0.000 1.025 349 S CB -0.235 62.928 63.200 -0.062 0.000 0.902 349 S HN 0.439 nan 8.310 nan 0.000 0.440 350 T N 2.129 116.618 114.554 -0.109 0.000 2.652 350 T HA -0.079 4.267 4.350 -0.007 0.000 0.267 350 T C 1.829 176.451 174.700 -0.130 0.000 1.039 350 T CA 1.534 63.582 62.100 -0.087 0.000 1.153 350 T CB -0.434 68.409 68.868 -0.042 0.000 0.863 350 T HN 0.387 nan 8.240 nan 0.000 0.428 351 E N 0.741 120.776 120.200 -0.276 0.000 2.072 351 E HA 0.040 4.386 4.350 -0.007 0.000 0.191 351 E C 2.275 178.724 176.600 -0.251 0.000 0.985 351 E CA 0.682 56.778 56.400 -0.507 0.000 0.801 351 E CB -0.470 28.422 29.700 -1.348 0.000 0.750 351 E HN 0.508 nan 8.360 nan 0.000 0.452 352 I N 1.686 122.212 120.570 -0.074 0.000 2.286 352 I HA -0.252 3.914 4.170 -0.007 0.000 0.248 352 I C 1.792 177.967 176.117 0.096 0.000 1.115 352 I CA 0.803 62.211 61.300 0.179 0.000 1.392 352 I CB -0.209 37.903 38.000 0.187 0.000 1.065 352 I HN 0.016 nan 8.210 nan 0.000 0.418 353 N N 0.808 119.523 118.700 0.026 0.000 2.270 353 N HA -0.100 4.636 4.740 -0.007 0.000 0.181 353 N C 1.859 177.384 175.510 0.025 0.000 1.016 353 N CA 0.941 54.004 53.050 0.022 0.000 0.870 353 N CB -0.234 38.253 38.487 0.000 0.000 0.979 353 N HN 0.284 nan 8.380 nan 0.000 0.431 354 R N 0.290 120.797 120.500 0.012 0.000 2.152 354 R HA 0.074 4.410 4.340 -0.007 0.000 0.232 354 R C 1.271 177.606 176.300 0.058 0.000 1.117 354 R CA 0.636 56.748 56.100 0.020 0.000 0.981 354 R CB -0.108 30.188 30.300 -0.007 0.000 0.870 354 R HN 0.202 nan 8.270 nan 0.000 0.451 355 L N -0.215 121.069 121.223 0.102 0.000 2.645 355 L HA 0.191 4.527 4.340 -0.007 0.000 0.234 355 L C 0.812 177.732 176.870 0.084 0.000 1.165 355 L CA 0.242 55.154 54.840 0.121 0.000 0.944 355 L CB 0.220 42.396 42.059 0.194 0.000 1.149 355 L HN 0.455 nan 8.230 nan 0.000 0.446 356 G N -0.097 108.739 108.800 0.061 0.000 2.136 356 G HA2 -0.223 3.733 3.960 -0.007 0.000 0.242 356 G HA3 -0.223 3.733 3.960 -0.007 0.000 0.242 356 G C 0.537 175.463 174.900 0.044 0.000 0.989 356 G CA -0.059 45.067 45.100 0.043 0.000 0.682 356 G HN 0.521 nan 8.290 nan 0.000 0.522 357 G N -1.289 107.546 108.800 0.058 0.000 2.535 357 G HA2 0.610 4.566 3.960 -0.007 0.000 0.282 357 G HA3 0.610 4.566 3.960 -0.007 0.000 0.282 357 G C -0.129 174.791 174.900 0.034 0.000 1.350 357 G CA 0.486 45.618 45.100 0.054 0.000 1.039 357 G HN 0.771 nan 8.290 nan 0.000 0.509 358 T N -0.708 113.863 114.554 0.027 0.000 3.038 358 T HA 0.364 4.710 4.350 -0.007 0.000 0.344 358 T C -1.147 173.559 174.700 0.010 0.000 1.054 358 T CA -0.327 61.781 62.100 0.013 0.000 1.092 358 T CB 0.530 69.400 68.868 0.003 0.000 1.031 358 T HN 0.636 nan 8.240 nan 0.000 0.482 359 C N 4.672 123.979 119.300 0.010 0.000 2.346 359 C HA 0.738 5.193 4.460 -0.007 0.000 0.326 359 C C -0.066 174.920 174.990 -0.007 0.000 1.224 359 C CA -0.804 58.217 59.018 0.005 0.000 1.408 359 C CB 0.054 27.806 27.740 0.020 0.000 2.089 359 C HN 0.985 nan 8.230 nan 0.000 0.456 360 R N 4.418 124.911 120.500 -0.012 0.000 2.295 360 R HA 0.385 4.721 4.340 -0.007 0.000 0.324 360 R C -0.088 176.200 176.300 -0.020 0.000 0.968 360 R CA -0.188 55.903 56.100 -0.016 0.000 0.837 360 R CB 0.881 31.172 30.300 -0.014 0.000 1.133 360 R HN 0.903 nan 8.270 nan 0.000 0.450 361 E N 2.460 122.645 120.200 -0.025 0.000 2.392 361 E HA 0.016 4.361 4.350 -0.007 0.000 0.264 361 E C -0.608 175.979 176.600 -0.022 0.000 1.024 361 E CA 0.199 56.581 56.400 -0.030 0.000 0.903 361 E CB 0.795 30.473 29.700 -0.038 0.000 0.963 361 E HN 0.692 nan 8.360 nan 0.000 0.432 362 T N 0.656 115.198 114.554 -0.020 0.000 2.926 362 T HA 0.388 4.734 4.350 -0.007 0.000 0.289 362 T C -2.072 172.622 174.700 -0.011 0.000 1.054 362 T CA -1.748 60.344 62.100 -0.012 0.000 1.015 362 T CB 1.417 70.281 68.868 -0.007 0.000 1.167 362 T HN 0.203 nan 8.240 nan 0.000 0.526 363 P HA 0.016 nan 4.420 nan 0.000 0.221 363 P C 0.479 177.780 177.300 0.002 0.000 1.145 363 P CA 1.144 64.244 63.100 -0.001 0.000 0.795 363 P CB -0.000 31.703 31.700 0.006 0.000 0.775 364 D N -2.612 117.790 120.400 0.004 0.000 2.692 364 D HA 0.319 4.955 4.640 -0.007 0.000 0.290 364 D C 0.670 176.970 176.300 -0.000 0.000 1.455 364 D CA -0.390 53.616 54.000 0.011 0.000 0.796 364 D CB 0.290 41.109 40.800 0.031 0.000 1.131 364 D HN 0.152 nan 8.370 nan 0.000 0.467 365 G N -0.133 108.658 108.800 -0.016 0.000 2.512 365 G HA2 0.360 4.316 3.960 -0.007 0.000 0.181 365 G HA3 0.360 4.316 3.960 -0.007 0.000 0.181 365 G C -2.038 172.848 174.900 -0.023 0.000 1.173 365 G CA -0.781 44.306 45.100 -0.022 0.000 0.988 365 G HN 0.134 nan 8.290 nan 0.000 0.485 366 L N 0.196 121.411 121.223 -0.014 0.000 2.455 366 L HA 0.675 5.011 4.340 -0.007 0.000 0.264 366 L C -0.733 176.128 176.870 -0.015 0.000 0.968 366 L CA -1.082 53.749 54.840 -0.015 0.000 0.827 366 L CB 2.473 44.526 42.059 -0.010 0.000 1.317 366 L HN 0.380 nan 8.230 nan 0.000 0.407 367 V N 4.016 123.918 119.914 -0.021 0.000 2.384 367 V HA 0.500 4.616 4.120 -0.007 0.000 0.287 367 V C -0.158 175.916 176.094 -0.035 0.000 1.020 367 V CA -0.252 62.029 62.300 -0.032 0.000 0.850 367 V CB 1.758 33.565 31.823 -0.026 0.000 0.987 367 V HN 0.495 nan 8.190 nan 0.000 0.436 368 I N 3.848 124.384 120.570 -0.055 0.000 2.418 368 I HA 0.389 4.555 4.170 -0.007 0.000 0.287 368 I C -0.083 175.999 176.117 -0.059 0.000 1.008 368 I CA -0.135 61.137 61.300 -0.046 0.000 1.104 368 I CB 2.234 40.208 38.000 -0.042 0.000 1.264 368 I HN 0.518 nan 8.210 nan 0.000 0.438 369 T N 5.574 120.108 114.554 -0.034 0.000 2.743 369 T HA 0.491 4.837 4.350 -0.007 0.000 0.292 369 T C 0.243 174.930 174.700 -0.021 0.000 0.972 369 T CA -0.511 61.569 62.100 -0.034 0.000 0.967 369 T CB 1.280 70.134 68.868 -0.023 0.000 0.926 369 T HN 0.632 nan 8.240 nan 0.000 0.459 370 A N 3.405 126.208 122.820 -0.029 0.000 2.492 370 A HA 0.548 4.864 4.320 -0.007 0.000 0.254 370 A C 0.686 178.261 177.584 -0.015 0.000 1.091 370 A CA -0.134 51.892 52.037 -0.018 0.000 0.768 370 A CB 0.053 19.032 19.000 -0.035 0.000 1.028 370 A HN 0.754 nan 8.150 nan 0.000 0.498 371 T N 2.955 117.508 114.554 -0.002 0.000 2.900 371 T HA 0.653 4.999 4.350 -0.007 0.000 0.303 371 T C -3.070 171.634 174.700 0.007 0.000 1.142 371 T CA -1.462 60.638 62.100 0.000 0.000 1.007 371 T CB 1.271 70.142 68.868 0.004 0.000 1.156 371 T HN 0.384 nan 8.240 nan 0.000 0.490 372 P HA 0.363 nan 4.420 nan 0.000 0.268 372 P C -0.798 176.514 177.300 0.022 0.000 1.205 372 P CA -0.268 62.838 63.100 0.009 0.000 0.771 372 P CB 0.341 32.044 31.700 0.005 0.000 0.858 373 L N 2.894 124.134 121.223 0.029 0.000 2.334 373 L HA 0.654 4.990 4.340 -0.007 0.000 0.270 373 L C 0.910 177.804 176.870 0.040 0.000 1.018 373 L CA -0.886 53.981 54.840 0.045 0.000 0.811 373 L CB 1.505 43.598 42.059 0.057 0.000 1.271 373 L HN 0.464 nan 8.230 nan 0.000 0.443 374 R N 0.550 121.080 120.500 0.050 0.000 2.912 374 R HA 0.718 5.054 4.340 -0.007 0.000 0.262 374 R C -2.867 173.465 176.300 0.053 0.000 1.057 374 R CA -2.010 54.115 56.100 0.042 0.000 0.981 374 R CB 0.048 30.369 30.300 0.036 0.000 1.201 374 R HN 0.151 nan 8.270 nan 0.000 0.484 375 P HA 0.270 nan 4.420 nan 0.000 0.268 375 P C -0.494 176.845 177.300 0.066 0.000 1.208 375 P CA 0.162 63.291 63.100 0.048 0.000 0.777 375 P CB 0.750 32.469 31.700 0.031 0.000 0.875 376 G N 0.538 109.389 108.800 0.084 0.000 2.342 376 G HA2 0.439 4.395 3.960 -0.007 0.000 0.297 376 G HA3 0.439 4.395 3.960 -0.007 0.000 0.297 376 G C -2.032 172.940 174.900 0.121 0.000 1.313 376 G CA -0.556 44.601 45.100 0.095 0.000 0.830 376 G HN 0.315 nan 8.290 nan 0.000 0.506 377 I N 1.115 121.753 120.570 0.112 0.000 2.328 377 I HA 0.291 4.457 4.170 -0.007 0.000 0.287 377 I C -0.539 175.681 176.117 0.172 0.000 1.012 377 I CA -1.085 60.291 61.300 0.127 0.000 1.195 377 I CB 1.268 39.308 38.000 0.068 0.000 1.350 377 I HN 0.581 nan 8.210 nan 0.000 0.464 378 W N 7.612 128.941 121.300 0.049 0.000 2.387 378 W HA 0.335 4.991 4.660 -0.007 0.000 0.310 378 W C -0.317 176.235 176.519 0.055 0.000 1.181 378 W CA -0.654 56.727 57.345 0.061 0.000 1.333 378 W CB 0.872 30.373 29.460 0.069 0.000 1.286 378 W HN 0.506 nan 8.180 nan 0.000 0.455 379 R N 3.741 124.115 120.500 -0.210 0.000 2.308 379 R HA 0.294 4.630 4.340 -0.007 0.000 0.305 379 R C 1.117 177.397 176.300 -0.033 0.000 1.053 379 R CA 0.289 56.288 56.100 -0.168 0.000 0.957 379 R CB 1.436 31.497 30.300 -0.397 0.000 1.022 379 R HN 0.560 nan 8.270 nan 0.000 0.461 380 A N 2.971 125.830 122.820 0.066 0.000 2.123 380 A HA -0.008 4.308 4.320 -0.007 0.000 0.214 380 A C -0.092 177.653 177.584 0.268 0.000 1.152 380 A CA 0.234 52.378 52.037 0.178 0.000 0.728 380 A CB -0.336 18.723 19.000 0.098 0.000 0.814 380 A HN 0.903 nan 8.150 nan 0.000 0.464 381 Y N -2.593 117.678 120.300 -0.047 0.000 3.491 381 Y HA -0.237 4.309 4.550 -0.006 0.000 0.215 381 Y C 1.264 177.151 175.900 -0.022 0.000 1.219 381 Y CA 0.558 58.633 58.100 -0.042 0.000 1.485 381 Y CB -2.460 35.968 38.460 -0.054 0.000 1.450 381 Y HN 1.257 nan 8.280 nan 0.000 0.603 382 A N -1.240 121.627 122.820 0.078 0.000 2.816 382 A HA -0.272 4.044 4.320 -0.007 0.000 0.270 382 A C 0.335 177.959 177.584 0.067 0.000 1.413 382 A CA 1.318 53.382 52.037 0.046 0.000 0.866 382 A CB -1.128 17.887 19.000 0.026 0.000 1.032 382 A HN 0.630 nan 8.150 nan 0.000 0.642 383 D N -1.044 119.420 120.400 0.106 0.000 2.381 383 D HA 0.477 5.113 4.640 -0.007 0.000 0.235 383 D C 1.252 177.626 176.300 0.122 0.000 1.068 383 D CA 0.033 54.113 54.000 0.133 0.000 0.832 383 D CB 0.383 41.248 40.800 0.108 0.000 1.101 383 D HN 0.645 nan 8.370 nan 0.000 0.515 384 H N 2.951 121.971 119.070 -0.083 0.000 2.390 384 H HA -0.099 4.453 4.556 -0.006 0.000 0.298 384 H C 1.269 176.482 175.328 -0.191 0.000 1.106 384 H CA 1.041 56.998 56.048 -0.152 0.000 1.297 384 H CB 0.251 29.929 29.762 -0.141 0.000 1.375 384 H HN 0.230 nan 8.280 nan 0.000 0.509 385 R N -0.135 120.069 120.500 -0.494 0.000 2.093 385 R HA -0.002 4.334 4.340 -0.007 0.000 0.224 385 R C 2.272 178.468 176.300 -0.173 0.000 1.101 385 R CA 1.006 56.855 56.100 -0.419 0.000 0.979 385 R CB -0.031 30.016 30.300 -0.422 0.000 0.877 385 R HN 0.358 nan 8.270 nan 0.000 0.441 386 M N 0.717 120.290 119.600 -0.044 0.000 2.086 386 M HA -0.095 4.381 4.480 -0.007 0.000 0.261 386 M C 2.496 178.920 176.300 0.205 0.000 1.067 386 M CA 1.640 57.033 55.300 0.156 0.000 1.116 386 M CB -1.112 31.587 32.600 0.164 0.000 1.348 386 M HN 0.140 nan 8.290 nan 0.000 0.407 387 A N 0.296 123.127 122.820 0.019 0.000 1.873 387 A HA -0.208 4.108 4.320 -0.007 0.000 0.218 387 A C 2.236 179.595 177.584 -0.374 0.000 1.193 387 A CA 2.063 54.034 52.037 -0.110 0.000 0.629 387 A CB -0.684 18.170 19.000 -0.244 0.000 0.826 387 A HN 0.537 nan 8.150 nan 0.000 0.447 388 M N -0.679 118.572 119.600 -0.582 0.000 2.229 388 M HA -0.110 4.366 4.480 -0.007 0.000 0.264 388 M C 2.479 178.485 176.300 -0.491 0.000 1.063 388 M CA 1.239 56.069 55.300 -0.784 0.000 1.114 388 M CB -0.485 31.640 32.600 -0.790 0.000 1.387 388 M HN 0.492 nan 8.290 nan 0.000 0.420 389 A N 0.773 123.410 122.820 -0.305 0.000 1.933 389 A HA -0.040 4.276 4.320 -0.007 0.000 0.218 389 A C 2.367 179.568 177.584 -0.638 0.000 1.175 389 A CA 1.875 53.743 52.037 -0.282 0.000 0.628 389 A CB -1.390 17.595 19.000 -0.026 0.000 0.814 389 A HN 0.544 nan 8.150 nan 0.000 0.444 390 G N -0.630 107.612 108.800 -0.930 0.000 2.408 390 G HA2 0.060 4.016 3.960 -0.007 0.000 0.217 390 G HA3 0.060 4.016 3.960 -0.007 0.000 0.217 390 G C 1.708 176.275 174.900 -0.556 0.000 1.150 390 G CA 1.270 45.503 45.100 -1.444 0.000 0.776 390 G HN 0.749 nan 8.290 nan 0.000 0.542 391 A N 1.034 123.644 122.820 -0.350 0.000 1.883 391 A HA -0.017 4.299 4.320 -0.007 0.000 0.217 391 A C 2.380 179.930 177.584 -0.057 0.000 1.186 391 A CA 1.408 53.335 52.037 -0.184 0.000 0.624 391 A CB -0.413 18.202 19.000 -0.642 0.000 0.822 391 A HN 0.370 nan 8.150 nan 0.000 0.444 392 I N -0.094 120.393 120.570 -0.138 0.000 2.163 392 I HA -0.295 3.871 4.170 -0.007 0.000 0.243 392 I C 2.322 178.453 176.117 0.022 0.000 1.085 392 I CA 1.476 62.834 61.300 0.097 0.000 1.347 392 I CB -0.362 37.662 38.000 0.040 0.000 1.044 392 I HN 0.322 nan 8.210 nan 0.000 0.408 393 I N 0.648 121.115 120.570 -0.172 0.000 2.226 393 I HA -0.216 3.950 4.170 -0.007 0.000 0.245 393 I C 2.535 178.616 176.117 -0.061 0.000 1.100 393 I CA 1.676 62.884 61.300 -0.153 0.000 1.374 393 I CB -0.995 36.797 38.000 -0.346 0.000 1.057 393 I HN 0.314 nan 8.210 nan 0.000 0.413 394 G N 0.737 109.503 108.800 -0.057 0.000 2.559 394 G HA2 -0.101 3.855 3.960 -0.007 0.000 0.216 394 G HA3 -0.101 3.855 3.960 -0.007 0.000 0.216 394 G C 1.667 176.599 174.900 0.052 0.000 1.126 394 G CA 0.043 45.142 45.100 -0.001 0.000 0.778 394 G HN 0.282 nan 8.290 nan 0.000 0.543 395 L N -0.530 120.762 121.223 0.114 0.000 2.191 395 L HA 0.033 4.369 4.340 -0.007 0.000 0.212 395 L C 2.557 179.459 176.870 0.054 0.000 1.103 395 L CA 0.814 55.722 54.840 0.113 0.000 0.769 395 L CB -0.012 42.138 42.059 0.152 0.000 0.908 395 L HN 0.079 nan 8.230 nan 0.000 0.438 396 R N -1.199 119.327 120.500 0.044 0.000 2.509 396 R HA 0.306 4.642 4.340 -0.007 0.000 0.297 396 R C -0.607 175.703 176.300 0.017 0.000 0.951 396 R CA 0.200 56.317 56.100 0.029 0.000 1.103 396 R CB 1.195 31.517 30.300 0.036 0.000 1.283 396 R HN 0.019 nan 8.270 nan 0.000 0.534 397 V N 1.345 121.268 119.914 0.015 0.000 2.419 397 V HA 0.469 4.585 4.120 -0.007 0.000 0.287 397 V C 0.106 176.204 176.094 0.008 0.000 1.017 397 V CA -1.448 60.860 62.300 0.013 0.000 0.844 397 V CB 1.447 33.282 31.823 0.020 0.000 1.011 397 V HN 0.161 nan 8.190 nan 0.000 0.429 398 A N 3.172 125.994 122.820 0.004 0.000 2.483 398 A HA 0.581 4.897 4.320 -0.007 0.000 0.238 398 A C 1.451 179.035 177.584 -0.000 0.000 1.070 398 A CA 0.795 52.829 52.037 -0.004 0.000 0.770 398 A CB -0.021 18.976 19.000 -0.006 0.000 1.008 398 A HN 2.339 nan 8.150 nan 0.000 0.497 399 G N 0.270 109.064 108.800 -0.011 0.000 2.132 399 G HA2 -0.102 3.853 3.960 -0.007 0.000 0.234 399 G HA3 -0.102 3.853 3.960 -0.007 0.000 0.234 399 G C 0.011 174.921 174.900 0.016 0.000 0.989 399 G CA 0.064 45.164 45.100 -0.000 0.000 0.676 399 G HN 1.366 nan 8.290 nan 0.000 0.522 400 V N 0.576 120.496 119.914 0.010 0.000 2.439 400 V HA 0.614 4.729 4.120 -0.007 0.000 0.282 400 V C 0.201 176.312 176.094 0.028 0.000 1.039 400 V CA -0.343 61.982 62.300 0.043 0.000 0.913 400 V CB 1.609 33.455 31.823 0.037 0.000 0.983 400 V HN 0.398 nan 8.190 nan 0.000 0.460 401 E N 3.055 123.311 120.200 0.092 0.000 2.248 401 E HA 0.548 4.894 4.350 -0.007 0.000 0.267 401 E C -1.425 175.314 176.600 0.231 0.000 0.877 401 E CA -0.743 55.726 56.400 0.115 0.000 0.759 401 E CB 2.699 32.447 29.700 0.080 0.000 1.182 401 E HN 0.414 nan 8.360 nan 0.000 0.418 402 V N 3.537 123.647 119.914 0.326 0.000 2.432 402 V HA -0.017 4.099 4.120 -0.007 0.000 0.275 402 V C 0.867 177.114 176.094 0.255 0.000 1.043 402 V CA -0.232 62.280 62.300 0.353 0.000 0.925 402 V CB 1.090 33.146 31.823 0.388 0.000 0.985 402 V HN 0.818 nan 8.190 nan 0.000 0.466 403 D N 3.172 123.677 120.400 0.175 0.000 2.117 403 D HA -0.151 4.485 4.640 -0.007 0.000 0.197 403 D C 0.690 177.044 176.300 0.090 0.000 0.987 403 D CA 1.166 55.227 54.000 0.101 0.000 0.829 403 D CB 0.074 40.892 40.800 0.031 0.000 0.961 403 D HN 0.576 nan 8.370 nan 0.000 0.460 404 D N -1.004 119.441 120.400 0.075 0.000 2.443 404 D HA 0.125 4.761 4.640 -0.007 0.000 0.281 404 D C 0.343 176.641 176.300 -0.005 0.000 1.210 404 D CA -0.655 53.365 54.000 0.034 0.000 0.875 404 D CB 0.115 40.919 40.800 0.007 0.000 1.125 404 D HN -0.015 nan 8.370 nan 0.000 0.503 405 I N 2.253 122.803 120.570 -0.034 0.000 2.614 405 I HA 0.033 4.199 4.170 -0.007 0.000 0.258 405 I C 1.953 177.956 176.117 -0.190 0.000 1.189 405 I CA 0.991 62.162 61.300 -0.215 0.000 1.462 405 I CB -0.008 37.679 38.000 -0.522 0.000 1.092 405 I HN 0.403 nan 8.210 nan 0.000 0.442 406 A N 0.344 123.106 122.820 -0.096 0.000 2.125 406 A HA -0.040 4.276 4.320 -0.007 0.000 0.219 406 A C 2.457 180.005 177.584 -0.059 0.000 1.156 406 A CA 1.265 53.265 52.037 -0.062 0.000 0.671 406 A CB -0.994 17.990 19.000 -0.027 0.000 0.794 406 A HN 0.480 nan 8.150 nan 0.000 0.459 407 A N 0.110 122.893 122.820 -0.061 0.000 2.076 407 A HA -0.128 4.188 4.320 -0.007 0.000 0.220 407 A C 2.293 179.847 177.584 -0.050 0.000 1.160 407 A CA 2.219 54.230 52.037 -0.043 0.000 0.653 407 A CB -1.363 17.627 19.000 -0.016 0.000 0.801 407 A HN 0.817 nan 8.150 nan 0.000 0.455 408 T N -2.056 112.435 114.554 -0.105 0.000 3.025 408 T HA -0.136 4.210 4.350 -0.007 0.000 0.270 408 T C 1.601 176.276 174.700 -0.041 0.000 1.126 408 T CA 1.797 63.831 62.100 -0.111 0.000 1.105 408 T CB -1.259 67.460 68.868 -0.248 0.000 0.884 408 T HN 0.665 nan 8.240 nan 0.000 0.522 409 T N -0.723 113.804 114.554 -0.044 0.000 3.051 409 T HA 0.060 4.406 4.350 -0.007 0.000 0.269 409 T C 1.699 176.359 174.700 -0.068 0.000 1.127 409 T CA 0.798 62.878 62.100 -0.033 0.000 1.107 409 T CB -0.373 68.477 68.868 -0.030 0.000 0.898 409 T HN 0.484 nan 8.240 nan 0.000 0.517 410 K N 1.620 121.944 120.400 -0.126 0.000 2.044 410 K HA -0.164 4.152 4.320 -0.007 0.000 0.210 410 K C 1.968 178.436 176.600 -0.220 0.000 1.049 410 K CA 1.988 58.127 56.287 -0.247 0.000 0.927 410 K CB -0.189 32.001 32.500 -0.516 0.000 0.713 410 K HN 0.645 nan 8.250 nan 0.000 0.443 411 T N -2.952 111.522 114.554 -0.133 0.000 3.087 411 T HA 0.176 4.522 4.350 -0.007 0.000 0.283 411 T C -0.063 174.671 174.700 0.058 0.000 0.956 411 T CA -0.549 61.539 62.100 -0.021 0.000 0.894 411 T CB 0.664 69.573 68.868 0.068 0.000 1.160 411 T HN 0.086 nan 8.240 nan 0.000 0.532 412 L N 0.988 122.252 121.223 0.069 0.000 2.392 412 L HA 0.510 4.846 4.340 -0.007 0.000 0.262 412 L C -2.691 174.253 176.870 0.125 0.000 1.498 412 L CA -1.573 53.344 54.840 0.128 0.000 0.820 412 L CB 1.542 43.730 42.059 0.215 0.000 0.990 412 L HN -0.271 nan 8.230 nan 0.000 0.520 413 P HA -0.153 nan 4.420 nan 0.000 0.216 413 P C 0.566 177.922 177.300 0.092 0.000 1.150 413 P CA 1.466 64.602 63.100 0.060 0.000 0.843 413 P CB 0.323 32.046 31.700 0.038 0.000 0.787 414 E N -2.366 117.907 120.200 0.121 0.000 2.463 414 E HA -0.027 4.319 4.350 -0.007 0.000 0.191 414 E C 1.248 177.963 176.600 0.191 0.000 1.083 414 E CA -0.285 56.191 56.400 0.127 0.000 0.872 414 E CB -0.610 29.152 29.700 0.105 0.000 0.966 414 E HN 0.236 nan 8.360 nan 0.000 0.491 415 F N 2.462 122.460 119.950 0.080 0.000 2.091 415 F HA -0.147 4.376 4.527 -0.007 0.000 0.299 415 F C -1.074 174.790 175.800 0.107 0.000 1.103 415 F CA 1.449 59.519 58.000 0.117 0.000 1.228 415 F CB -0.920 38.047 39.000 -0.055 0.000 0.984 415 F HN 0.062 nan 8.300 nan 0.000 0.477 416 P HA -0.234 nan 4.420 nan 0.000 0.215 416 P C 1.465 178.830 177.300 0.108 0.000 1.157 416 P CA 2.307 65.385 63.100 -0.038 0.000 0.874 416 P CB -0.309 31.390 31.700 -0.001 0.000 0.790 417 R N 0.041 120.601 120.500 0.100 0.000 2.073 417 R HA -0.098 4.238 4.340 -0.007 0.000 0.234 417 R C 2.211 178.572 176.300 0.103 0.000 1.134 417 R CA 1.437 57.601 56.100 0.107 0.000 0.952 417 R CB -1.108 29.243 30.300 0.085 0.000 0.850 417 R HN 0.135 nan 8.270 nan 0.000 0.433 418 L N -0.258 121.032 121.223 0.113 0.000 1.990 418 L HA -0.254 4.082 4.340 -0.007 0.000 0.213 418 L C 2.649 179.660 176.870 0.235 0.000 1.072 418 L CA 1.759 56.696 54.840 0.161 0.000 0.755 418 L CB -0.781 41.435 42.059 0.263 0.000 0.889 418 L HN 0.485 nan 8.230 nan 0.000 0.432 419 W N 0.781 122.013 121.300 -0.113 0.000 2.358 419 W HA -0.213 4.444 4.660 -0.006 0.000 0.303 419 W C 2.470 178.981 176.519 -0.014 0.000 1.208 419 W CA 1.689 58.918 57.345 -0.192 0.000 1.274 419 W CB -0.004 29.007 29.460 -0.749 0.000 1.138 419 W HN 0.199 nan 8.180 nan 0.000 0.515 420 A N 0.563 123.509 122.820 0.211 0.000 1.902 420 A HA -0.284 4.032 4.320 -0.007 0.000 0.217 420 A C 1.910 179.509 177.584 0.025 0.000 1.181 420 A CA 1.998 54.114 52.037 0.131 0.000 0.623 420 A CB -1.097 18.003 19.000 0.167 0.000 0.818 420 A HN 0.538 nan 8.150 nan 0.000 0.443 421 E N -0.551 119.668 120.200 0.031 0.000 2.150 421 E HA -0.191 4.155 4.350 -0.007 0.000 0.193 421 E C 1.960 178.535 176.600 -0.042 0.000 0.985 421 E CA 1.260 57.660 56.400 -0.000 0.000 0.814 421 E CB -0.248 29.459 29.700 0.012 0.000 0.752 421 E HN 0.696 nan 8.360 nan 0.000 0.466 422 M N 0.490 120.047 119.600 -0.072 0.000 2.200 422 M HA -0.076 4.400 4.480 -0.007 0.000 0.265 422 M C 1.706 177.890 176.300 -0.194 0.000 1.066 422 M CA 1.169 56.392 55.300 -0.128 0.000 1.127 422 M CB 0.257 32.776 32.600 -0.135 0.000 1.379 422 M HN 0.088 nan 8.290 nan 0.000 0.420 423 V N 0.639 120.397 119.914 -0.260 0.000 2.788 423 V HA 0.095 4.211 4.120 -0.007 0.000 0.251 423 V C 1.601 177.624 176.094 -0.117 0.000 1.068 423 V CA 1.038 63.201 62.300 -0.228 0.000 1.090 423 V CB -0.913 30.753 31.823 -0.263 0.000 0.710 423 V HN 0.591 nan 8.190 nan 0.000 0.467 424 G N 0.000 108.752 108.800 -0.079 0.000 5.446 424 G HA2 0.000 3.956 3.960 -0.007 0.000 0.244 424 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 424 G CA 0.000 45.071 45.100 -0.048 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925