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 3doh_1_A DATA FIRST_RESID 21 DATA SEQUENCE VKSVTLITKV FPEGEKVCAV VIEYPVEIDG QKLSPDQFSV KVKTGDTYSS DATA SEQUENCE RTITKVYANN SGGLSFSIFN NRGKYVVLEL STEDLHSNTI VFGPNFLNTR DATA SEQUENCE MKLDYIVSQL VPIFDVDGNE VEPFTSKQTD EKHLIIDDFL AFTFKDPETG DATA SEQUENCE VEIPYRLFVP KDVNPDRKYP LVVFLHGAGE RGTDNYLQVA GNRGAVVWAQ DATA SEQUENCE PRYQVVHPCF VLAPQCPPNS SWSTLFTDRE NPFNPEKPLL AVIKIIRKLL DATA SEQUENCE DEYNIDENRI YITGLSMGGY GTWTAIMEFP ELFAAAIPIC GGGDVSKVER DATA SEQUENCE IKDIPIWVFH AEDDPVVPVE NSRVLVKKLA EIGGKVRYTE YEKGFMEKHG DATA SEQUENCE WDPHGSWIPT YENQEAIEWL FEQSR 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 175.880 176.094 -0.357 0.000 1.182 21 V CA 0.000 62.004 62.300 -0.494 0.000 1.235 21 V CB 0.000 31.209 31.823 -1.023 0.000 1.184 22 K N 2.018 122.246 120.400 -0.287 0.000 2.103 22 K HA 0.152 4.473 4.320 0.002 0.000 0.204 22 K C 0.590 177.094 176.600 -0.160 0.000 1.052 22 K CA 1.369 57.546 56.287 -0.185 0.000 0.945 22 K CB 0.226 32.636 32.500 -0.150 0.000 0.722 22 K HN 0.868 nan 8.250 nan 0.000 0.443 23 S N -0.769 114.819 115.700 -0.187 0.000 2.597 23 S HA 0.348 4.819 4.470 0.002 0.000 0.274 23 S C -1.045 173.484 174.600 -0.118 0.000 1.132 23 S CA -1.095 57.034 58.200 -0.119 0.000 0.835 23 S CB 1.648 64.819 63.200 -0.049 0.000 1.092 23 S HN 0.035 nan 8.310 nan 0.000 0.457 24 V N -0.757 119.121 119.914 -0.060 0.000 2.482 24 V HA 0.874 4.995 4.120 0.002 0.000 0.295 24 V C -0.892 175.189 176.094 -0.020 0.000 1.026 24 V CA -0.207 62.084 62.300 -0.015 0.000 0.856 24 V CB 0.994 32.847 31.823 0.051 0.000 1.001 24 V HN 1.008 nan 8.190 nan 0.000 0.424 25 T N 7.133 121.670 114.554 -0.029 0.000 2.786 25 T HA 0.619 4.970 4.350 0.002 0.000 0.283 25 T C -0.532 174.114 174.700 -0.091 0.000 0.992 25 T CA -0.379 61.685 62.100 -0.059 0.000 0.954 25 T CB 1.337 70.176 68.868 -0.049 0.000 0.934 25 T HN 0.572 nan 8.240 nan 0.000 0.440 26 L N 4.572 125.713 121.223 -0.137 0.000 2.369 26 L HA 0.304 4.645 4.340 0.002 0.000 0.279 26 L C 0.007 176.797 176.870 -0.134 0.000 1.108 26 L CA -0.223 54.499 54.840 -0.197 0.000 0.852 26 L CB -0.044 41.841 42.059 -0.289 0.000 1.169 26 L HN 0.544 nan 8.230 nan 0.000 0.452 27 I N 3.204 123.718 120.570 -0.095 0.000 2.315 27 I HA 0.296 4.467 4.170 0.002 0.000 0.291 27 I C 0.689 176.815 176.117 0.015 0.000 1.006 27 I CA -0.309 60.966 61.300 -0.041 0.000 1.265 27 I CB 0.914 38.899 38.000 -0.025 0.000 1.387 27 I HN 0.594 nan 8.210 nan 0.000 0.475 28 T N 3.704 118.297 114.554 0.065 0.000 2.918 28 T HA 0.678 5.029 4.350 0.002 0.000 0.286 28 T C -0.426 174.322 174.700 0.080 0.000 1.026 28 T CA -0.860 61.315 62.100 0.124 0.000 1.031 28 T CB 2.998 71.988 68.868 0.204 0.000 1.046 28 T HN 0.650 nan 8.240 nan 0.000 0.479 29 K N 1.320 121.744 120.400 0.040 0.000 2.527 29 K HA 0.506 4.827 4.320 0.002 0.000 0.260 29 K C -1.728 174.708 176.600 -0.273 0.000 0.937 29 K CA -0.874 55.305 56.287 -0.180 0.000 0.826 29 K CB 2.673 34.963 32.500 -0.350 0.000 1.359 29 K HN 0.555 nan 8.250 nan 0.000 0.434 30 V N 4.822 124.544 119.914 -0.321 0.000 2.389 30 V HA 0.323 4.444 4.120 0.002 0.000 0.264 30 V C -0.324 175.564 176.094 -0.344 0.000 1.049 30 V CA -0.283 61.880 62.300 -0.229 0.000 0.932 30 V CB -0.271 31.433 31.823 -0.198 0.000 1.011 30 V HN 0.526 nan 8.190 nan 0.000 0.475 31 F N 5.709 125.659 119.950 0.001 0.000 2.408 31 F HA 0.414 4.942 4.527 0.002 0.000 0.325 31 F C -1.077 174.732 175.800 0.016 0.000 1.082 31 F CA -2.059 55.950 58.000 0.016 0.000 1.032 31 F CB 0.869 39.896 39.000 0.045 0.000 1.259 31 F HN 0.316 nan 8.300 nan 0.000 0.503 32 P HA -0.188 nan 4.420 nan 0.000 0.217 32 P C 0.088 177.449 177.300 0.102 0.000 1.148 32 P CA 1.653 64.800 63.100 0.078 0.000 0.834 32 P CB 0.086 31.784 31.700 -0.003 0.000 0.783 33 E N -1.108 119.196 120.200 0.173 0.000 2.419 33 E HA 0.423 4.774 4.350 0.002 0.000 0.190 33 E C 0.939 177.696 176.600 0.260 0.000 1.040 33 E CA 0.148 56.677 56.400 0.215 0.000 0.900 33 E CB -0.206 29.629 29.700 0.225 0.000 1.054 33 E HN 0.138 nan 8.360 nan 0.000 0.462 34 G N 0.970 109.903 108.800 0.221 0.000 2.434 34 G HA2 -0.191 3.770 3.960 0.002 0.000 0.671 34 G HA3 -0.191 3.770 3.960 0.002 0.000 0.671 34 G C -1.309 173.700 174.900 0.182 0.000 1.280 34 G CA -0.888 44.314 45.100 0.170 0.000 0.975 34 G HN 0.153 nan 8.290 nan 0.000 0.510 35 E N 0.444 120.719 120.200 0.125 0.000 2.289 35 E HA 0.508 4.859 4.350 0.002 0.000 0.278 35 E C -0.165 176.550 176.600 0.192 0.000 1.032 35 E CA -0.090 56.395 56.400 0.141 0.000 0.854 35 E CB 0.361 30.118 29.700 0.095 0.000 1.046 35 E HN 0.440 nan 8.360 nan 0.000 0.409 36 K N 2.440 123.021 120.400 0.301 0.000 2.435 36 K HA 0.349 4.670 4.320 0.002 0.000 0.251 36 K C -1.105 175.647 176.600 0.254 0.000 0.954 36 K CA -1.018 55.428 56.287 0.266 0.000 0.820 36 K CB 2.329 34.978 32.500 0.249 0.000 1.292 36 K HN 0.268 nan 8.250 nan 0.000 0.436 37 V N 2.198 122.218 119.914 0.177 0.000 2.415 37 V HA -0.026 4.095 4.120 0.002 0.000 0.267 37 V C 1.146 177.329 176.094 0.149 0.000 1.042 37 V CA -0.289 62.081 62.300 0.118 0.000 1.000 37 V CB -0.026 31.814 31.823 0.028 0.000 1.015 37 V HN 1.082 nan 8.190 nan 0.000 0.478 38 C N 2.395 121.797 119.300 0.169 0.000 2.935 38 C HA 0.796 5.257 4.460 0.002 0.000 0.308 38 C C 0.856 175.905 174.990 0.099 0.000 1.263 38 C CA 0.179 59.307 59.018 0.183 0.000 1.738 38 C CB -0.627 27.329 27.740 0.361 0.000 2.237 38 C HN 0.917 nan 8.230 nan 0.000 0.600 39 A N 0.013 122.862 122.820 0.049 0.000 2.609 39 A HA 0.743 5.064 4.320 0.002 0.000 0.291 39 A C -1.570 175.987 177.584 -0.046 0.000 1.096 39 A CA -0.271 51.763 52.037 -0.004 0.000 0.684 39 A CB 1.128 20.120 19.000 -0.014 0.000 1.282 39 A HN 0.390 nan 8.150 nan 0.000 0.412 40 V N 0.974 120.849 119.914 -0.065 0.000 2.531 40 V HA 0.524 4.645 4.120 0.002 0.000 0.301 40 V C -0.755 175.289 176.094 -0.084 0.000 1.034 40 V CA -0.475 61.785 62.300 -0.068 0.000 0.865 40 V CB 1.652 33.460 31.823 -0.025 0.000 0.995 40 V HN 0.717 nan 8.190 nan 0.000 0.424 41 V N 6.743 126.623 119.914 -0.058 0.000 2.384 41 V HA 0.526 4.647 4.120 0.002 0.000 0.287 41 V C -0.221 175.887 176.094 0.024 0.000 1.020 41 V CA -0.407 61.878 62.300 -0.025 0.000 0.850 41 V CB 1.727 33.541 31.823 -0.015 0.000 0.987 41 V HN 0.681 nan 8.190 nan 0.000 0.436 42 I N 3.980 124.571 120.570 0.036 0.000 2.354 42 I HA 0.412 4.583 4.170 0.002 0.000 0.292 42 I C 0.228 176.312 176.117 -0.054 0.000 0.989 42 I CA -0.320 60.955 61.300 -0.042 0.000 1.188 42 I CB 1.571 39.527 38.000 -0.074 0.000 1.342 42 I HN 0.629 nan 8.210 nan 0.000 0.457 43 E N 6.315 126.428 120.200 -0.145 0.000 2.046 43 E HA 0.245 4.596 4.350 0.002 0.000 0.279 43 E C -1.336 175.073 176.600 -0.317 0.000 0.989 43 E CA -0.514 55.740 56.400 -0.244 0.000 0.798 43 E CB 0.614 30.174 29.700 -0.233 0.000 1.086 43 E HN 0.388 nan 8.360 nan 0.000 0.399 44 Y N 4.352 124.552 120.300 -0.167 0.000 2.301 44 Y HA 0.154 4.705 4.550 0.002 0.000 0.328 44 Y C -1.380 174.438 175.900 -0.137 0.000 1.242 44 Y CA -1.957 56.070 58.100 -0.122 0.000 1.323 44 Y CB 0.666 39.099 38.460 -0.045 0.000 1.266 44 Y HN 0.595 nan 8.280 nan 0.000 0.527 45 P HA -0.123 nan 4.420 nan 0.000 0.217 45 P C -0.325 176.983 177.300 0.013 0.000 1.150 45 P CA 1.280 64.383 63.100 0.005 0.000 0.832 45 P CB 0.092 31.795 31.700 0.005 0.000 0.787 46 V N -3.026 116.914 119.914 0.044 0.000 3.345 46 V HA 0.343 4.464 4.120 0.002 0.000 0.308 46 V C 0.678 176.786 176.094 0.023 0.000 1.168 46 V CA -1.305 61.008 62.300 0.021 0.000 1.024 46 V CB 0.554 32.387 31.823 0.017 0.000 1.211 46 V HN -0.166 nan 8.190 nan 0.000 0.461 47 E N -0.071 120.137 120.200 0.015 0.000 2.397 47 E HA 0.567 4.918 4.350 0.002 0.000 0.254 47 E C -1.122 175.486 176.600 0.013 0.000 1.231 47 E CA -0.207 56.206 56.400 0.023 0.000 0.954 47 E CB 1.085 30.805 29.700 0.034 0.000 1.024 47 E HN 0.460 nan 8.360 nan 0.000 0.481 48 I N 0.879 121.464 120.570 0.026 0.000 2.841 48 I HA 0.067 4.238 4.170 0.002 0.000 0.298 48 I C -1.296 174.859 176.117 0.062 0.000 1.304 48 I CA -0.920 60.386 61.300 0.010 0.000 1.019 48 I CB 2.230 40.192 38.000 -0.064 0.000 1.282 48 I HN 0.447 nan 8.210 nan 0.000 0.432 49 D N 4.296 124.741 120.400 0.074 0.000 2.313 49 D HA 0.169 4.810 4.640 0.002 0.000 0.239 49 D C 0.885 177.255 176.300 0.116 0.000 1.142 49 D CA -0.493 53.565 54.000 0.096 0.000 0.847 49 D CB 1.879 42.727 40.800 0.080 0.000 1.082 49 D HN 0.730 nan 8.370 nan 0.000 0.480 50 G N 1.806 110.690 108.800 0.141 0.000 2.511 50 G HA2 -0.279 3.682 3.960 0.002 0.000 0.217 50 G HA3 -0.279 3.682 3.960 0.002 0.000 0.217 50 G C 1.157 176.145 174.900 0.148 0.000 1.133 50 G CA 0.291 45.484 45.100 0.155 0.000 0.792 50 G HN 0.615 nan 8.290 nan 0.000 0.539 51 Q N 0.462 120.347 119.800 0.142 0.000 2.173 51 Q HA -0.170 4.171 4.340 0.002 0.000 0.208 51 Q C 1.994 178.054 176.000 0.101 0.000 0.989 51 Q CA 1.473 57.348 55.803 0.119 0.000 0.872 51 Q CB -0.195 28.601 28.738 0.097 0.000 0.909 51 Q HN 0.390 nan 8.270 nan 0.000 0.420 52 K N -0.266 120.198 120.400 0.106 0.000 2.404 52 K HA 0.086 4.407 4.320 0.002 0.000 0.194 52 K C -0.165 176.525 176.600 0.151 0.000 1.023 52 K CA -0.328 56.031 56.287 0.120 0.000 1.094 52 K CB 0.374 32.952 32.500 0.130 0.000 0.841 52 K HN 0.108 nan 8.250 nan 0.000 0.523 53 L N 0.192 121.505 121.223 0.151 0.000 2.439 53 L HA 0.220 4.561 4.340 0.002 0.000 0.261 53 L C 0.234 177.198 176.870 0.157 0.000 1.153 53 L CA 0.227 55.179 54.840 0.188 0.000 0.808 53 L CB 1.421 43.600 42.059 0.201 0.000 1.126 53 L HN -0.149 nan 8.230 nan 0.000 0.460 54 S N 1.344 117.162 115.700 0.196 0.000 2.537 54 S HA 0.547 5.018 4.470 0.002 0.000 0.270 54 S C -2.321 172.394 174.600 0.192 0.000 1.142 54 S CA -0.947 57.337 58.200 0.140 0.000 0.870 54 S CB 1.690 64.949 63.200 0.098 0.000 1.112 54 S HN 0.357 nan 8.310 nan 0.000 0.466 55 P HA -0.137 nan 4.420 nan 0.000 0.217 55 P C 0.594 177.994 177.300 0.166 0.000 1.148 55 P CA 1.515 64.695 63.100 0.133 0.000 0.834 55 P CB -0.128 31.609 31.700 0.062 0.000 0.783 56 D N -1.151 119.313 120.400 0.107 0.000 2.352 56 D HA -0.117 4.524 4.640 0.002 0.000 0.232 56 D C 1.171 177.482 176.300 0.019 0.000 1.055 56 D CA 0.549 54.584 54.000 0.058 0.000 0.891 56 D CB -0.859 39.957 40.800 0.027 0.000 0.897 56 D HN 0.290 nan 8.370 nan 0.000 0.529 57 Q N -0.991 118.835 119.800 0.043 0.000 2.319 57 Q HA 0.233 4.574 4.340 0.002 0.000 0.202 57 Q C -0.474 175.203 176.000 -0.538 0.000 0.896 57 Q CA 0.144 55.798 55.803 -0.249 0.000 0.942 57 Q CB 0.474 29.002 28.738 -0.350 0.000 1.083 57 Q HN 0.241 nan 8.270 nan 0.000 0.510 58 F N -1.212 118.711 119.950 -0.045 0.000 2.650 58 F HA 0.522 5.050 4.527 0.002 0.000 0.320 58 F C -0.186 175.575 175.800 -0.066 0.000 1.091 58 F CA -1.155 56.806 58.000 -0.065 0.000 0.962 58 F CB 2.096 41.075 39.000 -0.035 0.000 1.363 58 F HN -0.358 nan 8.300 nan 0.000 0.482 59 S N 0.494 116.269 115.700 0.125 0.000 2.540 59 S HA 0.853 5.324 4.470 0.002 0.000 0.275 59 S C -1.953 172.674 174.600 0.045 0.000 1.123 59 S CA -0.479 57.747 58.200 0.044 0.000 0.907 59 S CB 1.557 64.739 63.200 -0.031 0.000 1.081 59 S HN 0.415 nan 8.310 nan 0.000 0.476 60 V N 4.320 124.259 119.914 0.042 0.000 2.638 60 V HA 0.636 4.757 4.120 0.002 0.000 0.306 60 V C -0.717 175.384 176.094 0.012 0.000 1.052 60 V CA -0.692 61.648 62.300 0.066 0.000 0.885 60 V CB 2.021 33.918 31.823 0.123 0.000 0.999 60 V HN 0.885 nan 8.190 nan 0.000 0.424 61 K N 2.484 122.857 120.400 -0.045 0.000 2.469 61 K HA 0.800 5.121 4.320 0.002 0.000 0.254 61 K C -1.300 175.095 176.600 -0.342 0.000 0.939 61 K CA -0.719 55.494 56.287 -0.124 0.000 0.812 61 K CB 2.825 35.269 32.500 -0.094 0.000 1.301 61 K HN 0.498 nan 8.250 nan 0.000 0.433 62 V N 0.183 119.854 119.914 -0.405 0.000 2.713 62 V HA 0.452 4.573 4.120 0.002 0.000 0.307 62 V C -0.012 175.913 176.094 -0.282 0.000 1.052 62 V CA -1.069 60.859 62.300 -0.620 0.000 0.967 62 V CB 1.416 32.864 31.823 -0.626 0.000 1.019 62 V HN 0.614 nan 8.190 nan 0.000 0.459 63 K N 0.823 120.974 120.400 -0.415 0.000 2.174 63 K HA 0.632 4.953 4.320 0.002 0.000 0.275 63 K C -0.770 175.534 176.600 -0.494 0.000 1.015 63 K CA -0.088 55.767 56.287 -0.720 0.000 0.933 63 K CB 1.294 33.372 32.500 -0.703 0.000 1.025 63 K HN 0.930 nan 8.250 nan 0.000 0.463 64 T N 1.658 115.912 114.554 -0.500 0.000 4.412 64 T HA 0.199 4.550 4.350 0.002 0.000 0.341 64 T C 0.088 174.635 174.700 -0.256 0.000 0.789 64 T CA -0.426 61.462 62.100 -0.353 0.000 0.944 64 T CB 0.841 69.468 68.868 -0.402 0.000 1.145 64 T HN 0.770 nan 8.240 nan 0.000 0.464 65 G N 0.835 109.528 108.800 -0.179 0.000 2.747 65 G HA2 0.164 4.125 3.960 0.002 0.000 0.202 65 G HA3 0.164 4.125 3.960 0.002 0.000 0.202 65 G C 0.576 175.361 174.900 -0.191 0.000 1.090 65 G CA -0.029 44.968 45.100 -0.170 0.000 0.779 65 G HN 0.601 nan 8.290 nan 0.000 0.535 66 D N 0.963 121.264 120.400 -0.165 0.000 2.501 66 D HA 0.148 4.789 4.640 0.002 0.000 0.224 66 D C 0.612 176.809 176.300 -0.172 0.000 1.202 66 D CA 0.311 54.215 54.000 -0.160 0.000 0.829 66 D CB 1.237 41.985 40.800 -0.087 0.000 1.023 66 D HN 0.405 nan 8.370 nan 0.000 0.499 67 T N -2.771 111.646 114.554 -0.229 0.000 2.864 67 T HA 0.543 4.894 4.350 0.002 0.000 0.289 67 T C -0.692 173.771 174.700 -0.395 0.000 1.082 67 T CA -0.705 61.276 62.100 -0.197 0.000 1.009 67 T CB 1.707 70.533 68.868 -0.070 0.000 1.234 67 T HN -0.172 nan 8.240 nan 0.000 0.526 68 Y N 0.731 120.962 120.300 -0.116 0.000 2.446 68 Y HA 0.628 5.179 4.550 0.002 0.000 0.338 68 Y C 0.849 176.667 175.900 -0.136 0.000 1.055 68 Y CA -0.502 57.505 58.100 -0.155 0.000 1.101 68 Y CB 2.152 40.536 38.460 -0.127 0.000 1.221 68 Y HN 1.005 nan 8.280 nan 0.000 0.460 69 S N 0.275 115.965 115.700 -0.016 0.000 2.600 69 S HA 0.687 5.158 4.470 0.002 0.000 0.300 69 S C -0.843 173.768 174.600 0.019 0.000 1.087 69 S CA -0.999 57.216 58.200 0.024 0.000 0.965 69 S CB 1.471 64.725 63.200 0.089 0.000 1.089 69 S HN 0.485 nan 8.310 nan 0.000 0.496 70 S N 1.936 117.654 115.700 0.030 0.000 2.580 70 S HA 0.470 4.941 4.470 0.002 0.000 0.274 70 S C -0.121 174.495 174.600 0.026 0.000 1.329 70 S CA -0.845 57.363 58.200 0.014 0.000 1.036 70 S CB 0.120 63.329 63.200 0.014 0.000 0.919 70 S HN 0.554 nan 8.310 nan 0.000 0.515 71 R N 1.809 122.324 120.500 0.025 0.000 2.368 71 R HA 0.345 4.686 4.340 0.002 0.000 0.302 71 R C 0.298 176.623 176.300 0.043 0.000 1.002 71 R CA -0.407 55.725 56.100 0.053 0.000 0.929 71 R CB 1.176 31.538 30.300 0.103 0.000 1.073 71 R HN 0.742 nan 8.270 nan 0.000 0.464 72 T N 2.391 116.966 114.554 0.034 0.000 2.729 72 T HA 0.357 4.708 4.350 0.002 0.000 0.296 72 T C 0.527 175.241 174.700 0.024 0.000 0.928 72 T CA -0.596 61.518 62.100 0.024 0.000 1.045 72 T CB -0.194 68.682 68.868 0.013 0.000 0.902 72 T HN 0.394 nan 8.240 nan 0.000 0.500 73 I N 5.954 126.539 120.570 0.025 0.000 2.421 73 I HA 0.135 4.306 4.170 0.002 0.000 0.291 73 I C 1.895 178.017 176.117 0.008 0.000 1.089 73 I CA -0.234 61.074 61.300 0.013 0.000 1.354 73 I CB 0.951 38.961 38.000 0.017 0.000 1.413 73 I HN 0.870 nan 8.210 nan 0.000 0.513 74 T N 2.448 117.004 114.554 0.003 0.000 3.031 74 T HA 0.191 4.542 4.350 0.002 0.000 0.254 74 T C 0.636 175.337 174.700 0.002 0.000 1.060 74 T CA 0.243 62.346 62.100 0.005 0.000 1.135 74 T CB 0.289 69.160 68.868 0.006 0.000 0.896 74 T HN 0.362 nan 8.240 nan 0.000 0.472 75 K N 1.018 121.415 120.400 -0.005 0.000 2.502 75 K HA 0.675 4.996 4.320 0.002 0.000 0.257 75 K C -1.677 174.893 176.600 -0.049 0.000 0.938 75 K CA -0.713 55.569 56.287 -0.009 0.000 0.819 75 K CB 2.826 35.328 32.500 0.003 0.000 1.333 75 K HN 0.024 nan 8.250 nan 0.000 0.434 76 V N 2.362 122.241 119.914 -0.058 0.000 2.581 76 V HA 0.623 4.744 4.120 0.002 0.000 0.303 76 V C -0.936 175.117 176.094 -0.068 0.000 1.041 76 V CA -0.692 61.516 62.300 -0.154 0.000 0.907 76 V CB 0.830 32.573 31.823 -0.133 0.000 0.994 76 V HN 0.859 nan 8.190 nan 0.000 0.442 77 Y N 1.645 121.844 120.300 -0.167 0.000 2.725 77 Y HA 0.921 5.472 4.550 0.002 0.000 0.333 77 Y C -0.588 175.320 175.900 0.014 0.000 1.242 77 Y CA -1.290 56.738 58.100 -0.120 0.000 1.059 77 Y CB 1.373 39.618 38.460 -0.357 0.000 1.306 77 Y HN 0.760 nan 8.280 nan 0.000 0.454 78 A N 1.603 124.615 122.820 0.319 0.000 2.401 78 A HA 0.796 5.117 4.320 0.002 0.000 0.310 78 A C -1.200 176.600 177.584 0.360 0.000 1.075 78 A CA -0.482 51.711 52.037 0.259 0.000 0.746 78 A CB 1.151 20.269 19.000 0.197 0.000 1.277 78 A HN 1.048 nan 8.150 nan 0.000 0.425 79 N N 0.138 119.026 118.700 0.314 0.000 3.157 79 N HA 0.314 5.055 4.740 0.002 0.000 0.291 79 N C -0.963 174.734 175.510 0.311 0.000 1.515 79 N CA -0.888 52.334 53.050 0.286 0.000 0.807 79 N CB 1.044 39.693 38.487 0.270 0.000 1.672 79 N HN 0.360 nan 8.380 nan 0.000 0.592 80 N N -0.736 118.123 118.700 0.266 0.000 2.171 80 N HA 0.076 4.817 4.740 0.002 0.000 0.212 80 N C 1.026 176.701 175.510 0.275 0.000 1.184 80 N CA 0.204 53.456 53.050 0.338 0.000 0.888 80 N CB 0.367 38.976 38.487 0.204 0.000 1.038 80 N HN 0.608 nan 8.380 nan 0.000 0.517 81 S N -0.926 114.827 115.700 0.088 0.000 2.348 81 S HA 0.170 4.641 4.470 0.002 0.000 0.219 81 S C 1.548 175.870 174.600 -0.464 0.000 1.033 81 S CA 1.243 59.393 58.200 -0.083 0.000 0.974 81 S CB -0.054 63.124 63.200 -0.036 0.000 0.868 81 S HN 0.256 nan 8.310 nan 0.000 0.459 82 G N 0.301 108.661 108.800 -0.732 0.000 2.184 82 G HA2 0.051 4.012 3.960 0.002 0.000 0.206 82 G HA3 0.051 4.012 3.960 0.002 0.000 0.206 82 G C 0.361 175.002 174.900 -0.431 0.000 0.995 82 G CA 0.061 44.468 45.100 -1.155 0.000 0.651 82 G HN 1.048 nan 8.290 nan 0.000 0.511 83 G N -0.771 107.896 108.800 -0.222 0.000 3.008 83 G HA2 0.599 4.560 3.960 0.002 0.000 0.181 83 G HA3 0.599 4.560 3.960 0.002 0.000 0.181 83 G C 0.942 175.849 174.900 0.010 0.000 1.309 83 G CA -0.316 44.730 45.100 -0.091 0.000 1.009 83 G HN 0.472 nan 8.290 nan 0.000 0.584 84 L N 1.145 122.408 121.223 0.067 0.000 2.612 84 L HA 0.166 4.507 4.340 0.002 0.000 0.230 84 L C 1.452 178.494 176.870 0.286 0.000 1.140 84 L CA 0.140 55.091 54.840 0.185 0.000 0.896 84 L CB -0.245 41.899 42.059 0.141 0.000 1.065 84 L HN 0.433 nan 8.230 nan 0.000 0.447 85 S N 0.351 116.173 115.700 0.204 0.000 2.548 85 S HA 0.289 4.760 4.470 0.002 0.000 0.277 85 S C -0.731 174.005 174.600 0.228 0.000 1.315 85 S CA -0.407 57.885 58.200 0.154 0.000 1.050 85 S CB 0.977 64.224 63.200 0.079 0.000 0.918 85 S HN 0.169 nan 8.310 nan 0.000 0.497 86 F N 2.829 122.685 119.950 -0.155 0.000 2.579 86 F HA 0.603 5.131 4.527 0.002 0.000 0.325 86 F C -0.610 175.064 175.800 -0.209 0.000 1.162 86 F CA -0.727 57.084 58.000 -0.315 0.000 0.946 86 F CB 1.720 40.154 39.000 -0.943 0.000 1.211 86 F HN 0.698 nan 8.300 nan 0.000 0.447 87 S N 6.489 121.831 115.700 -0.597 0.000 2.454 87 S HA 0.379 4.850 4.470 0.002 0.000 0.306 87 S C 1.510 175.507 174.600 -1.005 0.000 1.100 87 S CA -0.650 57.092 58.200 -0.764 0.000 1.087 87 S CB 0.614 63.646 63.200 -0.280 0.000 1.019 87 S HN 0.807 nan 8.310 nan 0.000 0.480 88 I N 2.334 122.202 120.570 -1.170 0.000 2.479 88 I HA -0.120 4.051 4.170 0.002 0.000 0.258 88 I C 0.963 176.878 176.117 -0.337 0.000 1.165 88 I CA 1.791 62.651 61.300 -0.734 0.000 1.422 88 I CB -0.372 37.221 38.000 -0.679 0.000 1.087 88 I HN 0.494 nan 8.210 nan 0.000 0.441 89 F N 2.352 122.187 119.950 -0.192 0.000 2.262 89 F HA 0.081 4.609 4.527 0.002 0.000 0.292 89 F C 1.278 177.051 175.800 -0.045 0.000 1.081 89 F CA 0.337 58.280 58.000 -0.094 0.000 1.355 89 F CB -0.521 38.425 39.000 -0.090 0.000 1.069 89 F HN 0.347 nan 8.300 nan 0.000 0.506 90 N N 0.040 118.831 118.700 0.152 0.000 2.790 90 N HA 0.043 4.784 4.740 0.002 0.000 0.256 90 N C -1.055 174.534 175.510 0.133 0.000 1.409 90 N CA -0.153 52.972 53.050 0.125 0.000 0.799 90 N CB -0.120 38.434 38.487 0.111 0.000 1.170 90 N HN -0.070 nan 8.380 nan 0.000 0.507 91 N N 2.254 121.054 118.700 0.166 0.000 3.050 91 N HA 0.065 4.806 4.740 0.002 0.000 0.289 91 N C -0.631 175.011 175.510 0.221 0.000 1.209 91 N CA -0.088 53.123 53.050 0.268 0.000 1.154 91 N CB -0.149 38.538 38.487 0.334 0.000 1.444 91 N HN 0.716 nan 8.380 nan 0.000 0.529 92 R N -0.142 120.478 120.500 0.200 0.000 2.664 92 R HA 0.688 5.029 4.340 0.002 0.000 0.266 92 R C -0.814 175.581 176.300 0.158 0.000 1.046 92 R CA -0.629 55.565 56.100 0.157 0.000 0.885 92 R CB 0.747 31.117 30.300 0.117 0.000 1.254 92 R HN 0.168 nan 8.270 nan 0.000 0.465 93 G N 1.465 110.344 108.800 0.132 0.000 2.362 93 G HA2 -0.005 3.956 3.960 0.002 0.000 0.288 93 G HA3 -0.005 3.956 3.960 0.002 0.000 0.288 93 G C -0.518 174.433 174.900 0.084 0.000 1.305 93 G CA -0.282 44.891 45.100 0.121 0.000 0.910 93 G HN 0.658 nan 8.290 nan 0.000 0.518 94 K N -0.831 119.573 120.400 0.007 0.000 2.432 94 K HA 0.072 4.394 4.320 0.002 0.000 0.196 94 K C -0.217 176.286 176.600 -0.163 0.000 1.038 94 K CA 0.641 56.860 56.287 -0.114 0.000 0.986 94 K CB 0.100 32.439 32.500 -0.268 0.000 0.782 94 K HN 0.384 nan 8.250 nan 0.000 0.485 95 Y N 1.277 121.650 120.300 0.121 0.000 2.326 95 Y HA 0.302 4.853 4.550 0.002 0.000 0.337 95 Y C -0.077 175.882 175.900 0.099 0.000 1.023 95 Y CA -1.040 57.119 58.100 0.099 0.000 1.143 95 Y CB 1.870 40.363 38.460 0.054 0.000 1.183 95 Y HN -0.306 nan 8.280 nan 0.000 0.485 96 V N 5.088 125.151 119.914 0.249 0.000 2.384 96 V HA 0.356 4.477 4.120 0.002 0.000 0.287 96 V C -0.465 175.574 176.094 -0.092 0.000 1.020 96 V CA -0.917 61.439 62.300 0.093 0.000 0.850 96 V CB 1.553 33.503 31.823 0.213 0.000 0.987 96 V HN 0.509 nan 8.190 nan 0.000 0.436 97 V N 6.991 126.713 119.914 -0.320 0.000 2.407 97 V HA 0.441 4.562 4.120 0.002 0.000 0.278 97 V C -0.111 175.649 176.094 -0.557 0.000 1.037 97 V CA -0.411 61.587 62.300 -0.502 0.000 0.900 97 V CB 1.526 32.789 31.823 -0.935 0.000 0.983 97 V HN 0.613 nan 8.190 nan 0.000 0.459 98 L N 5.045 126.041 121.223 -0.378 0.000 2.294 98 L HA 0.524 4.865 4.340 0.002 0.000 0.283 98 L C 0.196 176.956 176.870 -0.183 0.000 1.015 98 L CA -0.401 54.253 54.840 -0.310 0.000 0.831 98 L CB 1.538 43.437 42.059 -0.267 0.000 1.217 98 L HN 0.752 nan 8.230 nan 0.000 0.420 99 E N 4.841 124.959 120.200 -0.137 0.000 2.301 99 E HA 0.590 4.941 4.350 0.002 0.000 0.275 99 E C -1.360 175.237 176.600 -0.005 0.000 1.030 99 E CA -0.498 55.883 56.400 -0.032 0.000 0.852 99 E CB 1.198 30.922 29.700 0.039 0.000 1.060 99 E HN 0.484 nan 8.360 nan 0.000 0.401 100 L N 2.773 124.010 121.223 0.024 0.000 2.346 100 L HA 0.353 4.694 4.340 0.002 0.000 0.274 100 L C 0.108 176.987 176.870 0.015 0.000 1.007 100 L CA -1.319 53.540 54.840 0.032 0.000 0.818 100 L CB 1.929 44.028 42.059 0.065 0.000 1.284 100 L HN 0.545 nan 8.230 nan 0.000 0.424 101 S N 0.259 115.961 115.700 0.003 0.000 2.546 101 S HA -0.049 4.422 4.470 0.002 0.000 0.290 101 S C 1.269 175.831 174.600 -0.063 0.000 1.262 101 S CA 0.135 58.319 58.200 -0.026 0.000 1.083 101 S CB 0.498 63.685 63.200 -0.022 0.000 0.859 101 S HN 0.805 nan 8.310 nan 0.000 0.495 102 T N 2.524 116.996 114.554 -0.136 0.000 3.163 102 T HA 0.106 4.457 4.350 0.002 0.000 0.260 102 T C 0.830 175.415 174.700 -0.191 0.000 1.156 102 T CA 0.874 62.811 62.100 -0.271 0.000 1.072 102 T CB -0.171 68.331 68.868 -0.611 0.000 0.937 102 T HN 0.676 nan 8.240 nan 0.000 0.528 103 E N 0.870 121.004 120.200 -0.110 0.000 2.481 103 E HA 0.203 4.554 4.350 0.002 0.000 0.198 103 E C -0.008 176.560 176.600 -0.055 0.000 1.027 103 E CA -0.216 56.138 56.400 -0.078 0.000 0.900 103 E CB 0.184 29.846 29.700 -0.063 0.000 0.993 103 E HN 0.508 nan 8.360 nan 0.000 0.482 104 D N 0.490 120.865 120.400 -0.043 0.000 2.472 104 D HA -0.082 4.559 4.640 0.002 0.000 0.237 104 D C 1.246 177.523 176.300 -0.039 0.000 1.141 104 D CA 0.025 54.011 54.000 -0.022 0.000 0.875 104 D CB 0.991 41.799 40.800 0.013 0.000 1.192 104 D HN -0.007 nan 8.370 nan 0.000 0.450 105 L N 3.222 124.401 121.223 -0.072 0.000 1.971 105 L HA -0.203 4.138 4.340 0.002 0.000 0.215 105 L C 0.988 177.742 176.870 -0.193 0.000 1.072 105 L CA 1.919 56.659 54.840 -0.167 0.000 0.758 105 L CB -0.471 41.427 42.059 -0.268 0.000 0.889 105 L HN 0.472 nan 8.230 nan 0.000 0.433 106 H N -1.026 118.039 119.070 -0.008 0.000 2.638 106 H HA 0.193 4.750 4.556 0.002 0.000 0.232 106 H C 1.297 176.639 175.328 0.023 0.000 1.756 106 H CA 0.329 56.372 56.048 -0.009 0.000 1.234 106 H CB 0.008 29.747 29.762 -0.039 0.000 1.616 106 H HN 0.433 nan 8.280 nan 0.000 0.510 107 S N -0.583 115.176 115.700 0.099 0.000 2.502 107 S HA 0.011 4.482 4.470 0.002 0.000 0.228 107 S C 0.902 175.568 174.600 0.110 0.000 1.061 107 S CA -0.532 57.733 58.200 0.108 0.000 0.935 107 S CB 0.284 63.508 63.200 0.039 0.000 0.809 107 S HN 0.366 nan 8.310 nan 0.000 0.510 108 N N 2.771 121.510 118.700 0.064 0.000 2.353 108 N HA 0.016 4.757 4.740 0.002 0.000 0.248 108 N C 1.028 176.562 175.510 0.041 0.000 1.240 108 N CA 1.190 54.264 53.050 0.040 0.000 0.862 108 N CB 1.012 39.480 38.487 -0.033 0.000 1.086 108 N HN 0.655 nan 8.380 nan 0.000 0.453 109 T N -1.477 113.097 114.554 0.032 0.000 3.065 109 T HA 0.206 4.557 4.350 0.002 0.000 0.252 109 T C 0.934 175.606 174.700 -0.047 0.000 1.099 109 T CA 0.309 62.420 62.100 0.018 0.000 1.063 109 T CB 0.149 69.036 68.868 0.031 0.000 0.948 109 T HN 0.381 nan 8.240 nan 0.000 0.506 110 I N 1.978 122.481 120.570 -0.113 0.000 2.355 110 I HA 0.431 4.602 4.170 0.002 0.000 0.288 110 I C -0.587 175.320 176.117 -0.350 0.000 0.999 110 I CA -1.220 59.965 61.300 -0.192 0.000 1.163 110 I CB 2.086 39.975 38.000 -0.185 0.000 1.316 110 I HN -0.077 nan 8.210 nan 0.000 0.454 111 V N 7.612 127.387 119.914 -0.232 0.000 2.461 111 V HA 0.264 4.385 4.120 0.002 0.000 0.275 111 V C -0.282 175.702 176.094 -0.183 0.000 1.047 111 V CA -0.284 61.878 62.300 -0.229 0.000 0.955 111 V CB 0.740 32.515 31.823 -0.079 0.000 0.988 111 V HN 0.378 nan 8.190 nan 0.000 0.471 112 F N 6.613 126.580 119.950 0.028 0.000 2.556 112 F HA 0.399 4.927 4.527 0.002 0.000 0.344 112 F C 1.288 177.087 175.800 -0.002 0.000 1.255 112 F CA 0.071 58.079 58.000 0.013 0.000 1.091 112 F CB -0.393 38.616 39.000 0.016 0.000 1.325 112 F HN 0.564 nan 8.300 nan 0.000 0.627 113 G N 3.339 112.223 108.800 0.140 0.000 2.588 113 G HA2 0.529 4.490 3.960 0.002 0.000 0.278 113 G HA3 0.529 4.490 3.960 0.002 0.000 0.278 113 G C -2.504 172.437 174.900 0.069 0.000 1.307 113 G CA -1.050 44.100 45.100 0.084 0.000 1.016 113 G HN 0.331 nan 8.290 nan 0.000 0.503 114 P HA 0.302 nan 4.420 nan 0.000 0.287 114 P C 0.284 177.621 177.300 0.061 0.000 1.296 114 P CA -0.848 62.277 63.100 0.041 0.000 0.811 114 P CB 1.414 33.142 31.700 0.046 0.000 1.211 115 N N -0.435 118.329 118.700 0.107 0.000 2.173 115 N HA -0.007 4.734 4.740 0.002 0.000 0.184 115 N C 0.352 175.931 175.510 0.115 0.000 1.025 115 N CA 1.422 54.573 53.050 0.167 0.000 0.852 115 N CB -0.171 38.493 38.487 0.295 0.000 0.998 115 N HN 0.358 nan 8.380 nan 0.000 0.427 116 F N 0.480 120.437 119.950 0.010 0.000 2.749 116 F HA 0.348 4.876 4.527 0.002 0.000 0.380 116 F C -0.634 175.149 175.800 -0.028 0.000 1.365 116 F CA -0.502 57.500 58.000 0.003 0.000 1.186 116 F CB 0.868 39.846 39.000 -0.036 0.000 1.080 116 F HN -0.160 nan 8.300 nan 0.000 0.513 117 L N 1.703 122.974 121.223 0.079 0.000 2.491 117 L HA 0.496 4.838 4.340 0.002 0.000 0.267 117 L C -1.049 175.860 176.870 0.064 0.000 0.971 117 L CA -0.627 54.244 54.840 0.051 0.000 0.857 117 L CB 0.769 42.840 42.059 0.019 0.000 1.226 117 L HN -0.029 nan 8.230 nan 0.000 0.408 118 N N 1.670 120.419 118.700 0.081 0.000 2.492 118 N HA 0.647 5.388 4.740 0.002 0.000 0.289 118 N C -0.511 175.013 175.510 0.023 0.000 1.133 118 N CA -0.334 52.768 53.050 0.087 0.000 0.961 118 N CB 1.811 40.392 38.487 0.157 0.000 1.186 118 N HN 0.522 nan 8.380 nan 0.000 0.493 119 T N -0.552 113.999 114.554 -0.005 0.000 2.893 119 T HA 0.342 4.693 4.350 0.002 0.000 0.293 119 T C -0.866 173.803 174.700 -0.051 0.000 1.027 119 T CA -0.786 61.299 62.100 -0.025 0.000 0.988 119 T CB 0.851 69.706 68.868 -0.021 0.000 1.043 119 T HN 0.373 nan 8.240 nan 0.000 0.461 120 R N 4.994 125.460 120.500 -0.057 0.000 2.391 120 R HA 0.295 4.636 4.340 0.002 0.000 0.310 120 R C 0.357 176.609 176.300 -0.080 0.000 1.174 120 R CA -0.391 55.662 56.100 -0.078 0.000 1.118 120 R CB -0.154 30.081 30.300 -0.109 0.000 1.134 120 R HN 0.839 nan 8.270 nan 0.000 0.524 121 M N 5.004 124.568 119.600 -0.060 0.000 2.210 121 M HA -0.237 4.244 4.480 0.002 0.000 0.571 121 M C 0.209 176.476 176.300 -0.055 0.000 1.283 121 M CA 1.125 56.397 55.300 -0.046 0.000 0.639 121 M CB 0.115 32.698 32.600 -0.028 0.000 1.844 121 M HN 0.421 nan 8.290 nan 0.000 0.562 122 K N 4.892 125.261 120.400 -0.051 0.000 2.504 122 K HA 0.028 4.349 4.320 0.002 0.000 0.278 122 K C -0.844 175.756 176.600 0.000 0.000 1.025 122 K CA 0.276 56.541 56.287 -0.037 0.000 1.093 122 K CB 0.188 32.670 32.500 -0.029 0.000 0.873 122 K HN 0.607 nan 8.250 nan 0.000 0.483 123 L N 2.574 123.811 121.223 0.023 0.000 2.326 123 L HA 0.206 4.547 4.340 0.002 0.000 0.278 123 L C 0.059 177.022 176.870 0.156 0.000 1.092 123 L CA -0.184 54.717 54.840 0.102 0.000 0.810 123 L CB 0.854 42.955 42.059 0.070 0.000 1.153 123 L HN 0.742 nan 8.230 nan 0.000 0.439 124 D N 2.597 123.164 120.400 0.279 0.000 2.386 124 D HA 0.292 4.933 4.640 0.002 0.000 0.247 124 D C -1.592 174.900 176.300 0.319 0.000 1.336 124 D CA -0.217 53.922 54.000 0.233 0.000 0.976 124 D CB 1.062 41.901 40.800 0.065 0.000 1.257 124 D HN 0.162 nan 8.370 nan 0.000 0.570 125 Y N 1.256 121.621 120.300 0.109 0.000 2.512 125 Y HA 0.563 5.114 4.550 0.002 0.000 0.348 125 Y C -0.226 175.734 175.900 0.100 0.000 0.990 125 Y CA -0.946 57.228 58.100 0.122 0.000 1.033 125 Y CB 2.247 40.749 38.460 0.071 0.000 1.259 125 Y HN 0.285 nan 8.280 nan 0.000 0.461 126 I N 2.550 123.208 120.570 0.147 0.000 2.608 126 I HA 0.785 4.956 4.170 0.002 0.000 0.295 126 I C -1.776 174.355 176.117 0.024 0.000 1.049 126 I CA -0.792 60.526 61.300 0.030 0.000 1.063 126 I CB 1.397 39.301 38.000 -0.159 0.000 1.248 126 I HN 0.372 nan 8.210 nan 0.000 0.424 127 V N 5.300 125.236 119.914 0.037 0.000 2.735 127 V HA 0.606 4.727 4.120 0.002 0.000 0.310 127 V C -0.446 175.577 176.094 -0.118 0.000 1.061 127 V CA -0.446 61.870 62.300 0.025 0.000 0.913 127 V CB 2.092 33.982 31.823 0.112 0.000 1.005 127 V HN 0.786 nan 8.190 nan 0.000 0.428 128 S N 2.137 117.737 115.700 -0.167 0.000 2.547 128 S HA 0.440 4.911 4.470 0.002 0.000 0.281 128 S C -0.961 173.437 174.600 -0.337 0.000 1.118 128 S CA -0.527 57.449 58.200 -0.374 0.000 0.947 128 S CB 1.887 64.932 63.200 -0.259 0.000 1.053 128 S HN 0.772 nan 8.310 nan 0.000 0.482 129 Q N 3.254 122.649 119.800 -0.674 0.000 2.296 129 Q HA 0.394 4.735 4.340 0.002 0.000 0.257 129 Q C -0.068 175.664 176.000 -0.447 0.000 0.942 129 Q CA -0.302 55.164 55.803 -0.563 0.000 0.939 129 Q CB 0.573 29.094 28.738 -0.362 0.000 1.198 129 Q HN 0.737 nan 8.270 nan 0.000 0.429 130 L N 3.596 124.567 121.223 -0.419 0.000 2.354 130 L HA 0.139 4.480 4.340 0.002 0.000 0.212 130 L C 0.531 177.266 176.870 -0.225 0.000 1.091 130 L CA 0.130 54.809 54.840 -0.267 0.000 0.828 130 L CB 0.596 42.529 42.059 -0.210 0.000 0.973 130 L HN 0.461 nan 8.230 nan 0.000 0.461 131 V N -5.055 114.696 119.914 -0.272 0.000 3.074 131 V HA 0.629 4.750 4.120 0.002 0.000 0.314 131 V C -2.749 173.205 176.094 -0.234 0.000 1.117 131 V CA -2.627 59.544 62.300 -0.216 0.000 1.014 131 V CB 1.367 33.070 31.823 -0.200 0.000 1.057 131 V HN -0.200 nan 8.190 nan 0.000 0.438 132 P HA 0.491 nan 4.420 nan 0.000 0.271 132 P C -0.651 176.469 177.300 -0.299 0.000 1.233 132 P CA -0.011 62.953 63.100 -0.227 0.000 0.789 132 P CB 0.335 31.892 31.700 -0.239 0.000 0.951 133 I N -3.496 116.897 120.570 -0.296 0.000 2.865 133 I HA 0.542 4.713 4.170 0.002 0.000 0.302 133 I C -0.898 175.045 176.117 -0.291 0.000 1.140 133 I CA -1.231 59.897 61.300 -0.287 0.000 1.021 133 I CB 1.571 39.469 38.000 -0.169 0.000 1.233 133 I HN -0.023 nan 8.210 nan 0.000 0.427 134 F N 3.062 122.980 119.950 -0.054 0.000 2.427 134 F HA 0.355 4.883 4.527 0.002 0.000 0.352 134 F C 0.575 176.341 175.800 -0.056 0.000 1.100 134 F CA 0.183 58.158 58.000 -0.040 0.000 1.191 134 F CB 0.592 39.581 39.000 -0.019 0.000 1.128 134 F HN 0.656 nan 8.300 nan 0.000 0.533 135 D N 1.303 121.784 120.400 0.135 0.000 2.449 135 D HA 0.193 4.834 4.640 0.002 0.000 0.250 135 D C 0.826 177.172 176.300 0.077 0.000 1.050 135 D CA -0.613 53.424 54.000 0.061 0.000 1.024 135 D CB 1.147 41.947 40.800 0.000 0.000 1.218 135 D HN 0.349 nan 8.370 nan 0.000 0.566 136 V N -1.305 118.637 119.914 0.047 0.000 3.141 136 V HA -0.024 4.097 4.120 0.002 0.000 0.265 136 V C 1.115 177.231 176.094 0.036 0.000 1.126 136 V CA 2.014 64.338 62.300 0.041 0.000 1.141 136 V CB -0.799 31.045 31.823 0.036 0.000 0.743 136 V HN 0.686 nan 8.190 nan 0.000 0.492 137 D N 0.315 120.738 120.400 0.039 0.000 2.388 137 D HA 0.188 4.829 4.640 0.002 0.000 0.208 137 D C 1.483 177.804 176.300 0.034 0.000 1.035 137 D CA 1.220 55.239 54.000 0.031 0.000 0.875 137 D CB 0.618 41.433 40.800 0.025 0.000 0.984 137 D HN 0.464 nan 8.370 nan 0.000 0.508 138 G N 0.188 109.018 108.800 0.049 0.000 3.198 138 G HA2 0.072 4.033 3.960 0.002 0.000 0.203 138 G HA3 0.072 4.033 3.960 0.002 0.000 0.203 138 G C 0.637 175.573 174.900 0.060 0.000 1.950 138 G CA -0.185 44.956 45.100 0.067 0.000 0.798 138 G HN 0.138 nan 8.290 nan 0.000 0.720 139 N N 0.783 119.533 118.700 0.084 0.000 2.234 139 N HA 0.248 4.989 4.740 0.002 0.000 0.227 139 N C -0.850 174.717 175.510 0.095 0.000 1.151 139 N CA 0.045 53.197 53.050 0.170 0.000 0.865 139 N CB 0.650 39.303 38.487 0.277 0.000 1.066 139 N HN 0.347 nan 8.380 nan 0.000 0.515 140 E N 0.103 120.298 120.200 -0.008 0.000 2.334 140 E HA 0.200 4.551 4.350 0.002 0.000 0.280 140 E C -1.192 175.364 176.600 -0.073 0.000 0.899 140 E CA -0.412 55.924 56.400 -0.107 0.000 0.813 140 E CB 2.338 31.953 29.700 -0.142 0.000 1.318 140 E HN -0.176 nan 8.360 nan 0.000 0.399 141 V N 2.973 122.833 119.914 -0.090 0.000 2.432 141 V HA 0.175 4.296 4.120 0.002 0.000 0.275 141 V C 0.529 176.613 176.094 -0.015 0.000 1.043 141 V CA -0.642 61.642 62.300 -0.025 0.000 0.925 141 V CB 1.289 33.100 31.823 -0.021 0.000 0.985 141 V HN 0.501 nan 8.190 nan 0.000 0.466 142 E N 4.863 125.081 120.200 0.029 0.000 2.349 142 E HA 0.314 4.665 4.350 0.002 0.000 0.265 142 E C -2.370 174.278 176.600 0.079 0.000 1.064 142 E CA -2.082 54.328 56.400 0.017 0.000 0.886 142 E CB 0.639 30.347 29.700 0.014 0.000 1.036 142 E HN 0.416 nan 8.360 nan 0.000 0.413 143 P HA -0.091 nan 4.420 nan 0.000 0.264 143 P C -0.641 176.721 177.300 0.103 0.000 1.173 143 P CA 0.787 63.877 63.100 -0.015 0.000 0.761 143 P CB 0.073 31.726 31.700 -0.079 0.000 0.794 144 F N -0.519 119.427 119.950 -0.008 0.000 2.643 144 F HA 0.822 5.350 4.527 0.002 0.000 0.314 144 F C -1.158 174.637 175.800 -0.009 0.000 1.096 144 F CA -0.725 57.272 58.000 -0.004 0.000 0.953 144 F CB 1.293 40.298 39.000 0.008 0.000 1.345 144 F HN 0.104 nan 8.300 nan 0.000 0.468 145 T N 1.120 115.734 114.554 0.099 0.000 2.916 145 T HA 0.679 5.030 4.350 0.002 0.000 0.305 145 T C -1.510 173.312 174.700 0.203 0.000 1.119 145 T CA -0.860 61.227 62.100 -0.021 0.000 1.008 145 T CB 1.574 70.406 68.868 -0.061 0.000 1.129 145 T HN 0.884 nan 8.240 nan 0.000 0.480 146 S N 1.124 116.918 115.700 0.156 0.000 2.560 146 S HA 0.435 4.906 4.470 0.002 0.000 0.283 146 S C -1.123 173.547 174.600 0.118 0.000 1.141 146 S CA -0.871 57.440 58.200 0.184 0.000 0.902 146 S CB 0.943 64.331 63.200 0.312 0.000 1.104 146 S HN 0.615 nan 8.310 nan 0.000 0.454 147 K N 2.161 122.615 120.400 0.090 0.000 2.234 147 K HA 0.173 4.494 4.320 0.002 0.000 0.251 147 K C 0.737 177.399 176.600 0.103 0.000 1.011 147 K CA -0.331 56.017 56.287 0.102 0.000 0.889 147 K CB 0.217 32.769 32.500 0.086 0.000 1.011 147 K HN 0.673 nan 8.250 nan 0.000 0.505 148 Q N 0.091 119.954 119.800 0.105 0.000 2.382 148 Q HA 0.065 4.406 4.340 0.002 0.000 0.229 148 Q C -0.379 175.636 176.000 0.025 0.000 1.006 148 Q CA 0.286 56.123 55.803 0.057 0.000 0.916 148 Q CB 1.247 29.999 28.738 0.022 0.000 1.235 148 Q HN 0.563 nan 8.270 nan 0.000 0.512 149 T N 0.617 115.170 114.554 -0.003 0.000 3.170 149 T HA 0.262 4.613 4.350 0.002 0.000 0.288 149 T C -1.122 173.561 174.700 -0.029 0.000 0.992 149 T CA -0.111 61.980 62.100 -0.015 0.000 0.909 149 T CB 0.164 69.017 68.868 -0.025 0.000 1.133 149 T HN 0.553 nan 8.240 nan 0.000 0.530 150 D N 1.074 121.448 120.400 -0.042 0.000 2.721 150 D HA 0.098 4.739 4.640 0.002 0.000 0.221 150 D C -1.220 175.019 176.300 -0.102 0.000 1.208 150 D CA -0.348 53.612 54.000 -0.067 0.000 0.755 150 D CB 1.998 42.761 40.800 -0.061 0.000 1.732 150 D HN 0.205 nan 8.370 nan 0.000 0.490 151 E N 1.019 121.130 120.200 -0.148 0.000 2.232 151 E HA 0.520 4.871 4.350 0.002 0.000 0.265 151 E C -0.335 176.055 176.600 -0.350 0.000 1.001 151 E CA -0.944 55.315 56.400 -0.234 0.000 0.870 151 E CB 2.456 32.036 29.700 -0.201 0.000 1.175 151 E HN 0.001 nan 8.360 nan 0.000 0.407 152 K N 1.728 121.912 120.400 -0.360 0.000 2.565 152 K HA 0.258 4.579 4.320 0.002 0.000 0.249 152 K C -1.740 174.717 176.600 -0.239 0.000 0.958 152 K CA -0.524 55.581 56.287 -0.303 0.000 0.806 152 K CB 1.015 33.426 32.500 -0.148 0.000 1.194 152 K HN 0.636 nan 8.250 nan 0.000 0.434 153 H N 4.228 123.315 119.070 0.029 0.000 2.690 153 H HA 0.282 4.839 4.556 0.002 0.000 0.280 153 H C -0.077 175.257 175.328 0.010 0.000 1.138 153 H CA -0.549 55.525 56.048 0.043 0.000 1.241 153 H CB 0.824 30.655 29.762 0.115 0.000 1.394 153 H HN 0.207 nan 8.280 nan 0.000 0.489 154 L N 5.709 126.981 121.223 0.081 0.000 2.536 154 L HA -0.052 4.289 4.340 0.002 0.000 0.282 154 L C 0.204 177.083 176.870 0.015 0.000 1.147 154 L CA 0.362 55.217 54.840 0.025 0.000 0.936 154 L CB -0.086 41.964 42.059 -0.015 0.000 1.279 154 L HN 0.931 nan 8.230 nan 0.000 0.461 155 I N 1.049 121.659 120.570 0.067 0.000 3.013 155 I HA -0.314 3.857 4.170 0.002 0.000 0.260 155 I C 1.487 177.706 176.117 0.170 0.000 0.436 155 I CA 0.746 62.112 61.300 0.110 0.000 0.867 155 I CB -1.134 36.874 38.000 0.014 0.000 4.035 155 I HN 0.453 nan 8.210 nan 0.000 1.111 156 I N 2.470 123.055 120.570 0.024 0.000 2.676 156 I HA -0.198 3.973 4.170 0.002 0.000 0.259 156 I C 1.924 178.099 176.117 0.096 0.000 1.194 156 I CA 2.138 63.380 61.300 -0.098 0.000 1.473 156 I CB -0.238 37.590 38.000 -0.287 0.000 1.096 156 I HN 0.423 nan 8.210 nan 0.000 0.443 157 D N -0.511 119.991 120.400 0.170 0.000 2.349 157 D HA -0.139 4.502 4.640 0.002 0.000 0.224 157 D C 1.141 177.543 176.300 0.171 0.000 1.029 157 D CA 0.546 54.647 54.000 0.169 0.000 0.879 157 D CB -0.387 40.490 40.800 0.128 0.000 0.906 157 D HN 0.266 nan 8.370 nan 0.000 0.528 158 D N -0.435 120.124 120.400 0.265 0.000 2.349 158 D HA -0.013 4.629 4.640 0.002 0.000 0.215 158 D C -0.223 176.197 176.300 0.201 0.000 1.016 158 D CA 0.124 54.255 54.000 0.218 0.000 0.870 158 D CB -0.018 40.960 40.800 0.297 0.000 0.917 158 D HN 0.205 nan 8.370 nan 0.000 0.524 159 F N 1.542 121.561 119.950 0.116 0.000 2.390 159 F HA 0.250 4.778 4.527 0.002 0.000 0.361 159 F C 0.832 176.627 175.800 -0.008 0.000 1.124 159 F CA -0.753 57.310 58.000 0.105 0.000 1.149 159 F CB 0.411 39.469 39.000 0.096 0.000 1.160 159 F HN -0.317 nan 8.300 nan 0.000 0.501 160 L N 3.559 124.815 121.223 0.054 0.000 2.506 160 L HA 0.224 4.565 4.340 0.002 0.000 0.281 160 L C 0.630 177.328 176.870 -0.287 0.000 1.228 160 L CA -0.219 54.514 54.840 -0.177 0.000 0.850 160 L CB 0.163 42.068 42.059 -0.256 0.000 1.110 160 L HN 0.676 nan 8.230 nan 0.000 0.496 161 A N 3.475 126.016 122.820 -0.466 0.000 2.301 161 A HA 0.805 5.126 4.320 0.002 0.000 0.312 161 A C -0.904 176.217 177.584 -0.772 0.000 1.182 161 A CA -0.235 51.558 52.037 -0.406 0.000 0.826 161 A CB 0.395 19.282 19.000 -0.189 0.000 1.134 161 A HN 0.465 nan 8.150 nan 0.000 0.501 162 F N -0.315 119.432 119.950 -0.338 0.000 2.643 162 F HA 0.641 5.169 4.527 0.002 0.000 0.314 162 F C 0.280 175.900 175.800 -0.300 0.000 1.096 162 F CA -0.289 57.463 58.000 -0.414 0.000 0.953 162 F CB 2.584 41.097 39.000 -0.811 0.000 1.345 162 F HN 0.490 nan 8.300 nan 0.000 0.468 163 T N 1.421 116.093 114.554 0.197 0.000 2.876 163 T HA 0.564 4.915 4.350 0.002 0.000 0.289 163 T C -1.675 173.302 174.700 0.461 0.000 1.014 163 T CA -0.507 61.774 62.100 0.302 0.000 0.986 163 T CB 1.745 70.731 68.868 0.196 0.000 1.021 163 T HN 0.409 nan 8.240 nan 0.000 0.458 164 F N 2.923 123.089 119.950 0.360 0.000 2.495 164 F HA 0.613 5.142 4.527 0.002 0.000 0.327 164 F C -0.644 175.255 175.800 0.165 0.000 1.103 164 F CA -1.134 57.028 58.000 0.269 0.000 0.949 164 F CB 1.373 40.525 39.000 0.252 0.000 1.142 164 F HN 0.477 nan 8.300 nan 0.000 0.457 165 K N 4.222 124.226 120.400 -0.660 0.000 2.316 165 K HA 0.264 4.585 4.320 0.002 0.000 0.267 165 K C -1.077 174.909 176.600 -1.024 0.000 1.025 165 K CA -0.795 55.142 56.287 -0.584 0.000 0.896 165 K CB 1.388 33.735 32.500 -0.254 0.000 1.124 165 K HN 0.504 nan 8.250 nan 0.000 0.451 166 D N 5.582 125.575 120.400 -0.680 0.000 2.363 166 D HA 0.019 4.660 4.640 0.002 0.000 0.263 166 D C -1.276 174.933 176.300 -0.152 0.000 1.258 166 D CA -1.954 51.874 54.000 -0.286 0.000 0.907 166 D CB 1.201 42.096 40.800 0.159 0.000 1.107 166 D HN 0.416 nan 8.370 nan 0.000 0.495 167 P HA -0.059 nan 4.420 nan 0.000 0.231 167 P C 1.045 178.339 177.300 -0.010 0.000 1.168 167 P CA 0.534 63.595 63.100 -0.066 0.000 0.779 167 P CB 0.467 32.141 31.700 -0.044 0.000 0.844 168 E N 0.599 120.814 120.200 0.025 0.000 2.158 168 E HA -0.077 4.274 4.350 0.002 0.000 0.191 168 E C 1.222 177.844 176.600 0.036 0.000 0.982 168 E CA 1.615 58.039 56.400 0.039 0.000 0.823 168 E CB 0.117 29.855 29.700 0.063 0.000 0.766 168 E HN 0.232 nan 8.360 nan 0.000 0.468 169 T N -4.454 110.123 114.554 0.039 0.000 3.058 169 T HA 0.379 4.730 4.350 0.002 0.000 0.278 169 T C 1.268 175.983 174.700 0.025 0.000 0.974 169 T CA 0.621 62.745 62.100 0.040 0.000 0.893 169 T CB 0.938 69.845 68.868 0.064 0.000 1.138 169 T HN 0.279 nan 8.240 nan 0.000 0.529 170 G N 1.974 110.775 108.800 0.002 0.000 2.779 170 G HA2 -0.351 3.610 3.960 0.002 0.000 0.230 170 G HA3 -0.351 3.610 3.960 0.002 0.000 0.230 170 G C 0.298 175.198 174.900 -0.000 0.000 1.243 170 G CA 0.116 45.211 45.100 -0.008 0.000 0.769 170 G HN 1.263 nan 8.290 nan 0.000 0.516 171 V N 1.507 121.438 119.914 0.029 0.000 2.889 171 V HA 0.158 4.279 4.120 0.002 0.000 0.293 171 V C 0.701 176.829 176.094 0.056 0.000 1.273 171 V CA 1.654 63.986 62.300 0.054 0.000 1.365 171 V CB 0.426 32.303 31.823 0.089 0.000 0.837 171 V HN 0.641 nan 8.190 nan 0.000 0.492 172 E N 4.765 125.005 120.200 0.066 0.000 2.156 172 E HA 0.534 4.885 4.350 0.002 0.000 0.279 172 E C -0.883 175.817 176.600 0.166 0.000 0.965 172 E CA -0.695 55.762 56.400 0.094 0.000 0.789 172 E CB 1.080 30.819 29.700 0.064 0.000 1.098 172 E HN 0.563 nan 8.360 nan 0.000 0.397 173 I N 6.685 127.417 120.570 0.269 0.000 2.411 173 I HA 0.298 4.469 4.170 0.002 0.000 0.284 173 I C -2.396 173.961 176.117 0.399 0.000 1.012 173 I CA -2.705 58.791 61.300 0.326 0.000 1.119 173 I CB 1.136 39.361 38.000 0.376 0.000 1.261 173 I HN 0.350 nan 8.210 nan 0.000 0.448 174 P HA 0.308 nan 4.420 nan 0.000 0.275 174 P C -1.311 176.247 177.300 0.430 0.000 1.227 174 P CA 0.158 63.441 63.100 0.306 0.000 0.781 174 P CB 0.480 32.293 31.700 0.188 0.000 0.906 175 Y N -0.324 120.130 120.300 0.257 0.000 2.597 175 Y HA 0.761 5.312 4.550 0.002 0.000 0.340 175 Y C -0.934 175.135 175.900 0.282 0.000 1.097 175 Y CA -1.434 56.826 58.100 0.267 0.000 1.037 175 Y CB 1.333 39.949 38.460 0.260 0.000 1.305 175 Y HN 0.066 nan 8.280 nan 0.000 0.463 176 R N 2.436 123.180 120.500 0.407 0.000 2.562 176 R HA 0.670 5.011 4.340 0.002 0.000 0.298 176 R C -1.920 174.738 176.300 0.597 0.000 0.961 176 R CA -1.029 55.297 56.100 0.376 0.000 0.881 176 R CB 2.200 32.692 30.300 0.320 0.000 1.159 176 R HN 0.917 nan 8.270 nan 0.000 0.450 177 L N 2.958 124.479 121.223 0.497 0.000 2.409 177 L HA 0.522 4.863 4.340 0.002 0.000 0.272 177 L C -1.402 175.504 176.870 0.059 0.000 0.980 177 L CA -0.718 54.353 54.840 0.385 0.000 0.826 177 L CB 1.612 43.960 42.059 0.482 0.000 1.268 177 L HN 0.527 nan 8.230 nan 0.000 0.407 178 F N 5.728 125.412 119.950 -0.444 0.000 2.410 178 F HA 0.690 5.218 4.527 0.001 0.000 0.349 178 F C -0.804 174.765 175.800 -0.385 0.000 1.117 178 F CA -0.402 57.178 58.000 -0.701 0.000 1.104 178 F CB 1.244 39.555 39.000 -1.149 0.000 1.122 178 F HN 0.254 nan 8.300 nan 0.000 0.483 179 V N 8.195 127.605 119.914 -0.840 0.000 2.398 179 V HA 0.378 4.499 4.120 0.002 0.000 0.286 179 V C -1.953 173.403 176.094 -1.230 0.000 1.026 179 V CA -1.865 59.891 62.300 -0.906 0.000 0.868 179 V CB 1.271 32.827 31.823 -0.444 0.000 0.982 179 V HN 0.666 nan 8.190 nan 0.000 0.443 180 P HA 0.235 nan 4.420 nan 0.000 0.270 180 P C -1.062 175.898 177.300 -0.568 0.000 1.223 180 P CA -0.376 62.273 63.100 -0.752 0.000 0.785 180 P CB 0.425 31.697 31.700 -0.714 0.000 0.923 181 K N -0.128 120.040 120.400 -0.386 0.000 2.259 181 K HA 0.506 4.827 4.320 0.002 0.000 0.249 181 K C -0.715 175.778 176.600 -0.178 0.000 0.942 181 K CA -0.885 55.248 56.287 -0.257 0.000 0.816 181 K CB 0.528 32.903 32.500 -0.208 0.000 1.155 181 K HN 0.132 nan 8.250 nan 0.000 0.428 182 D N -0.423 119.903 120.400 -0.125 0.000 2.699 182 D HA -0.147 4.494 4.640 0.002 0.000 0.239 182 D C -1.039 175.215 176.300 -0.075 0.000 1.136 182 D CA 0.629 54.583 54.000 -0.077 0.000 0.668 182 D CB -1.176 39.588 40.800 -0.060 0.000 1.060 182 D HN 0.291 nan 8.370 nan 0.000 0.429 183 V N 0.608 120.469 119.914 -0.089 0.000 2.715 183 V HA 0.383 4.504 4.120 0.002 0.000 0.310 183 V C 0.256 176.398 176.094 0.080 0.000 1.054 183 V CA -0.993 61.267 62.300 -0.065 0.000 0.928 183 V CB 2.161 33.779 31.823 -0.342 0.000 1.007 183 V HN 0.281 nan 8.190 nan 0.000 0.437 184 N N 6.054 124.863 118.700 0.182 0.000 2.440 184 N HA 0.175 4.916 4.740 0.002 0.000 0.265 184 N C -1.817 173.818 175.510 0.207 0.000 1.239 184 N CA -1.025 52.121 53.050 0.161 0.000 0.909 184 N CB 1.409 39.970 38.487 0.124 0.000 1.066 184 N HN 0.293 nan 8.380 nan 0.000 0.474 185 P HA -0.063 nan 4.420 nan 0.000 0.222 185 P C 0.130 177.490 177.300 0.100 0.000 1.147 185 P CA 0.964 64.147 63.100 0.140 0.000 0.790 185 P CB 0.311 32.065 31.700 0.091 0.000 0.780 186 D N -1.293 119.146 120.400 0.064 0.000 2.289 186 D HA 0.020 4.661 4.640 0.002 0.000 0.207 186 D C 0.979 177.267 176.300 -0.020 0.000 0.966 186 D CA 0.603 54.616 54.000 0.022 0.000 0.868 186 D CB 0.138 40.947 40.800 0.016 0.000 0.943 186 D HN 0.230 nan 8.370 nan 0.000 0.514 187 R N 0.596 121.064 120.500 -0.054 0.000 2.553 187 R HA 0.453 4.794 4.340 0.002 0.000 0.263 187 R C 0.272 176.362 176.300 -0.350 0.000 1.066 187 R CA -0.406 55.566 56.100 -0.215 0.000 1.135 187 R CB 1.390 31.513 30.300 -0.295 0.000 1.148 187 R HN -0.194 nan 8.270 nan 0.000 0.558 188 K N 0.958 121.101 120.400 -0.428 0.000 2.203 188 K HA 0.388 4.709 4.320 0.002 0.000 0.251 188 K C -1.363 174.937 176.600 -0.499 0.000 0.944 188 K CA -0.536 55.555 56.287 -0.326 0.000 0.829 188 K CB 1.480 33.898 32.500 -0.137 0.000 1.125 188 K HN 0.355 nan 8.250 nan 0.000 0.430 189 Y N 0.422 120.819 120.300 0.162 0.000 2.545 189 Y HA 0.336 4.887 4.550 0.002 0.000 0.348 189 Y C -2.280 173.736 175.900 0.193 0.000 1.002 189 Y CA -2.711 55.508 58.100 0.198 0.000 1.039 189 Y CB 1.182 39.793 38.460 0.251 0.000 1.271 189 Y HN 0.448 nan 8.280 nan 0.000 0.467 190 P HA 0.086 nan 4.420 nan 0.000 0.270 190 P C -1.205 176.227 177.300 0.221 0.000 1.223 190 P CA -0.113 63.093 63.100 0.177 0.000 0.785 190 P CB 0.640 32.566 31.700 0.376 0.000 0.923 191 L N 2.725 123.953 121.223 0.007 0.000 2.356 191 L HA 0.444 4.785 4.340 0.002 0.000 0.277 191 L C -1.263 175.598 176.870 -0.015 0.000 0.996 191 L CA -0.564 54.307 54.840 0.052 0.000 0.822 191 L CB 1.756 43.779 42.059 -0.061 0.000 1.256 191 L HN 0.008 nan 8.230 nan 0.000 0.413 192 V N 5.678 125.600 119.914 0.013 0.000 2.370 192 V HA 0.466 4.587 4.120 0.002 0.000 0.279 192 V C -0.184 175.853 176.094 -0.096 0.000 1.029 192 V CA -0.510 61.687 62.300 -0.171 0.000 0.870 192 V CB 1.561 33.037 31.823 -0.579 0.000 0.984 192 V HN 0.640 nan 8.190 nan 0.000 0.451 193 V N 5.598 125.455 119.914 -0.094 0.000 2.370 193 V HA 0.667 4.788 4.120 0.002 0.000 0.283 193 V C -0.984 175.079 176.094 -0.053 0.000 1.023 193 V CA -0.442 61.828 62.300 -0.051 0.000 0.857 193 V CB 1.198 32.982 31.823 -0.065 0.000 0.985 193 V HN 0.647 nan 8.190 nan 0.000 0.443 194 F N 7.174 127.047 119.950 -0.129 0.000 2.427 194 F HA 0.730 5.258 4.527 0.001 0.000 0.346 194 F C -0.779 174.901 175.800 -0.200 0.000 1.120 194 F CA -1.434 56.494 58.000 -0.121 0.000 1.033 194 F CB 1.461 40.455 39.000 -0.009 0.000 1.126 194 F HN 0.557 nan 8.300 nan 0.000 0.462 195 L N 7.284 127.867 121.223 -1.068 0.000 2.265 195 L HA 0.323 4.664 4.340 0.002 0.000 0.289 195 L C -0.170 175.931 176.870 -1.281 0.000 1.033 195 L CA -1.038 53.002 54.840 -1.334 0.000 0.814 195 L CB 0.771 41.950 42.059 -1.466 0.000 1.203 195 L HN 0.725 nan 8.230 nan 0.000 0.423 196 H N 1.313 119.963 119.070 -0.700 0.000 2.581 196 H HA 0.600 5.157 4.556 0.002 0.000 0.369 196 H C 0.409 175.823 175.328 0.143 0.000 1.351 196 H CA -0.371 55.486 56.048 -0.319 0.000 1.434 196 H CB 0.496 30.266 29.762 0.014 0.000 1.558 196 H HN 0.532 nan 8.280 nan 0.000 0.608 197 G N -1.349 107.631 108.800 0.300 0.000 2.557 197 G HA2 0.399 4.360 3.960 0.002 0.000 0.292 197 G HA3 0.399 4.360 3.960 0.002 0.000 0.292 197 G C 0.918 176.041 174.900 0.372 0.000 1.237 197 G CA -0.630 44.626 45.100 0.260 0.000 0.978 197 G HN 0.939 nan 8.290 nan 0.000 0.498 198 A N -0.300 122.720 122.820 0.334 0.000 1.903 198 A HA -0.032 4.289 4.320 0.002 0.000 0.219 198 A C 2.569 180.249 177.584 0.161 0.000 1.191 198 A CA 2.602 54.765 52.037 0.210 0.000 0.638 198 A CB -1.145 18.017 19.000 0.270 0.000 0.823 198 A HN 1.174 nan 8.150 nan 0.000 0.451 199 G N -1.122 107.803 108.800 0.208 0.000 2.471 199 G HA2 -0.076 3.885 3.960 0.002 0.000 0.219 199 G HA3 -0.076 3.885 3.960 0.002 0.000 0.219 199 G C 1.214 176.162 174.900 0.080 0.000 1.125 199 G CA 1.086 46.276 45.100 0.149 0.000 0.775 199 G HN 0.550 nan 8.290 nan 0.000 0.548 200 E N -0.034 120.190 120.200 0.040 0.000 2.478 200 E HA 0.156 4.507 4.350 0.002 0.000 0.194 200 E C 1.268 177.640 176.600 -0.381 0.000 1.045 200 E CA -0.296 56.003 56.400 -0.169 0.000 0.868 200 E CB 0.120 29.671 29.700 -0.248 0.000 0.885 200 E HN 0.322 nan 8.360 nan 0.000 0.505 201 R N -0.000 120.406 120.500 -0.156 0.000 2.758 201 R HA 0.336 4.677 4.340 0.002 0.000 0.263 201 R C 0.638 176.879 176.300 -0.099 0.000 1.010 201 R CA 1.036 57.080 56.100 -0.092 0.000 1.114 201 R CB 0.334 30.599 30.300 -0.058 0.000 0.985 201 R HN 0.232 nan 8.270 nan 0.000 0.439 202 G N -0.758 108.000 108.800 -0.070 0.000 2.368 202 G HA2 0.037 3.998 3.960 0.002 0.000 0.269 202 G HA3 0.037 3.998 3.960 0.002 0.000 0.269 202 G C -0.428 174.468 174.900 -0.008 0.000 1.291 202 G CA -0.175 44.902 45.100 -0.039 0.000 0.903 202 G HN 0.424 nan 8.290 nan 0.000 0.483 203 T N 0.118 114.677 114.554 0.008 0.000 3.326 203 T HA 0.184 4.535 4.350 0.002 0.000 0.302 203 T C 0.975 175.699 174.700 0.040 0.000 0.908 203 T CA 1.038 63.157 62.100 0.031 0.000 0.933 203 T CB -0.070 68.811 68.868 0.022 0.000 1.194 203 T HN 0.643 nan 8.240 nan 0.000 0.585 204 D N 0.571 120.992 120.400 0.036 0.000 2.354 204 D HA 0.086 4.727 4.640 0.002 0.000 0.209 204 D C 0.926 177.275 176.300 0.082 0.000 1.015 204 D CA 0.125 54.153 54.000 0.046 0.000 0.867 204 D CB -0.259 40.559 40.800 0.030 0.000 0.933 204 D HN 0.204 nan 8.370 nan 0.000 0.520 205 N N -1.067 117.684 118.700 0.086 0.000 2.741 205 N HA -0.279 4.462 4.740 0.002 0.000 0.250 205 N C -0.412 175.158 175.510 0.099 0.000 1.115 205 N CA 0.715 53.824 53.050 0.097 0.000 0.724 205 N CB -1.729 36.810 38.487 0.088 0.000 1.090 205 N HN 0.566 nan 8.380 nan 0.000 0.558 206 Y N -0.960 119.313 120.300 -0.045 0.000 2.846 206 Y HA 0.262 4.813 4.550 0.002 0.000 0.258 206 Y C 1.754 177.596 175.900 -0.097 0.000 1.077 206 Y CA 0.053 58.101 58.100 -0.087 0.000 1.270 206 Y CB -0.527 37.866 38.460 -0.111 0.000 1.476 206 Y HN -0.001 nan 8.280 nan 0.000 0.460 207 L N 1.734 123.036 121.223 0.132 0.000 2.054 207 L HA -0.333 4.008 4.340 0.002 0.000 0.220 207 L C 2.471 179.312 176.870 -0.049 0.000 1.081 207 L CA 2.550 57.408 54.840 0.029 0.000 0.780 207 L CB -1.147 40.889 42.059 -0.039 0.000 0.893 207 L HN 0.554 nan 8.230 nan 0.000 0.438 208 Q N -1.760 117.991 119.800 -0.080 0.000 2.472 208 Q HA -0.043 4.298 4.340 0.002 0.000 0.208 208 Q C 1.655 177.731 176.000 0.127 0.000 0.958 208 Q CA 1.072 56.884 55.803 0.014 0.000 0.932 208 Q CB -0.227 28.549 28.738 0.065 0.000 1.007 208 Q HN 0.398 nan 8.270 nan 0.000 0.508 209 V N -0.040 119.812 119.914 -0.103 0.000 3.556 209 V HA 0.319 4.440 4.120 0.002 0.000 0.287 209 V C 1.355 177.243 176.094 -0.343 0.000 1.422 209 V CA 0.938 63.063 62.300 -0.292 0.000 1.038 209 V CB 0.848 32.371 31.823 -0.499 0.000 0.850 209 V HN 0.431 nan 8.190 nan 0.000 0.437 210 A N -0.806 121.877 122.820 -0.227 0.000 2.287 210 A HA 0.399 4.720 4.320 0.002 0.000 0.214 210 A C 2.020 179.586 177.584 -0.030 0.000 1.228 210 A CA 0.858 52.801 52.037 -0.157 0.000 0.939 210 A CB -0.099 18.854 19.000 -0.079 0.000 0.992 210 A HN 0.438 nan 8.150 nan 0.000 0.502 211 G N 1.021 109.825 108.800 0.007 0.000 2.443 211 G HA2 0.030 3.991 3.960 0.002 0.000 0.219 211 G HA3 0.030 3.991 3.960 0.002 0.000 0.219 211 G C 0.543 175.511 174.900 0.113 0.000 1.131 211 G CA 0.916 46.066 45.100 0.082 0.000 0.775 211 G HN 0.771 nan 8.290 nan 0.000 0.547 212 N N -2.484 116.231 118.700 0.025 0.000 3.308 212 N HA 0.204 4.945 4.740 0.002 0.000 0.276 212 N C -0.420 175.000 175.510 -0.149 0.000 1.533 212 N CA -0.935 52.137 53.050 0.037 0.000 0.878 212 N CB 0.660 39.213 38.487 0.111 0.000 1.566 212 N HN -0.188 nan 8.380 nan 0.000 0.546 213 R N -0.335 120.065 120.500 -0.166 0.000 2.363 213 R HA 0.113 4.454 4.340 0.002 0.000 0.236 213 R C 1.571 177.423 176.300 -0.746 0.000 0.966 213 R CA 0.370 56.262 56.100 -0.347 0.000 1.100 213 R CB -0.267 29.893 30.300 -0.235 0.000 1.125 213 R HN 0.752 nan 8.270 nan 0.000 0.514 214 G N 0.656 108.866 108.800 -0.984 0.000 2.442 214 G HA2 -0.284 3.677 3.960 0.002 0.000 0.219 214 G HA3 -0.284 3.677 3.960 0.002 0.000 0.219 214 G C 1.312 175.379 174.900 -1.389 0.000 1.141 214 G CA 1.000 44.998 45.100 -1.837 0.000 0.763 214 G HN 0.387 nan 8.290 nan 0.000 0.554 215 A N -0.730 121.556 122.820 -0.889 0.000 1.942 215 A HA 0.448 4.769 4.320 0.002 0.000 0.209 215 A C 2.364 179.965 177.584 0.028 0.000 1.214 215 A CA 1.036 52.950 52.037 -0.205 0.000 0.686 215 A CB -0.109 18.813 19.000 -0.130 0.000 0.871 215 A HN 0.184 nan 8.150 nan 0.000 0.460 216 V N -0.584 119.179 119.914 -0.252 0.000 2.788 216 V HA -0.116 4.005 4.120 0.002 0.000 0.251 216 V C 2.427 178.394 176.094 -0.212 0.000 1.068 216 V CA 1.483 63.688 62.300 -0.160 0.000 1.090 216 V CB 0.452 32.103 31.823 -0.286 0.000 0.710 216 V HN 0.370 nan 8.190 nan 0.000 0.467 217 V N -0.155 119.490 119.914 -0.448 0.000 2.324 217 V HA -0.292 3.829 4.120 0.002 0.000 0.250 217 V C 2.004 177.883 176.094 -0.359 0.000 1.060 217 V CA 2.567 64.570 62.300 -0.496 0.000 1.042 217 V CB -0.450 30.884 31.823 -0.815 0.000 0.650 217 V HN 0.794 nan 8.190 nan 0.000 0.450 218 W N -0.038 121.189 121.300 -0.121 0.000 2.538 218 W HA 0.134 4.795 4.660 0.002 0.000 0.254 218 W C 2.190 178.612 176.519 -0.162 0.000 1.249 218 W CA 0.751 58.066 57.345 -0.050 0.000 1.253 218 W CB -0.506 28.943 29.460 -0.017 0.000 1.130 218 W HN 0.332 nan 8.180 nan 0.000 0.618 219 A N -0.535 122.190 122.820 -0.158 0.000 2.303 219 A HA 0.114 4.435 4.320 0.002 0.000 0.217 219 A C 0.892 178.263 177.584 -0.355 0.000 1.205 219 A CA -0.295 51.339 52.037 -0.672 0.000 0.875 219 A CB -0.273 18.192 19.000 -0.891 0.000 0.910 219 A HN 0.189 nan 8.150 nan 0.000 0.501 220 Q N 0.539 120.268 119.800 -0.119 0.000 2.300 220 Q HA 0.070 4.411 4.340 0.002 0.000 0.280 220 Q C -1.578 174.378 176.000 -0.074 0.000 1.033 220 Q CA -1.387 54.369 55.803 -0.078 0.000 0.903 220 Q CB 0.643 29.342 28.738 -0.066 0.000 1.195 220 Q HN 0.155 nan 8.270 nan 0.000 0.386 221 P HA -0.329 nan 4.420 nan 0.000 0.219 221 P C 0.834 178.059 177.300 -0.125 0.000 1.158 221 P CA 1.828 64.888 63.100 -0.066 0.000 0.895 221 P CB 0.012 31.677 31.700 -0.057 0.000 0.792 222 R N -1.834 118.526 120.500 -0.234 0.000 2.139 222 R HA -0.208 4.133 4.340 0.002 0.000 0.243 222 R C 1.666 177.738 176.300 -0.380 0.000 1.145 222 R CA 1.845 57.723 56.100 -0.371 0.000 0.976 222 R CB -1.475 28.487 30.300 -0.564 0.000 0.866 222 R HN 0.243 nan 8.270 nan 0.000 0.449 223 Y N 0.612 120.906 120.300 -0.009 0.000 2.396 223 Y HA 0.143 4.694 4.550 0.002 0.000 0.292 223 Y C 2.650 178.541 175.900 -0.016 0.000 1.128 223 Y CA 0.118 58.244 58.100 0.043 0.000 1.194 223 Y CB -0.327 38.196 38.460 0.105 0.000 1.124 223 Y HN -0.078 nan 8.280 nan 0.000 0.543 224 Q N 0.019 119.874 119.800 0.091 0.000 2.152 224 Q HA -0.168 4.173 4.340 0.002 0.000 0.206 224 Q C 2.462 178.435 176.000 -0.045 0.000 0.985 224 Q CA 1.417 57.232 55.803 0.021 0.000 0.863 224 Q CB -0.808 27.952 28.738 0.036 0.000 0.904 224 Q HN 0.373 nan 8.270 nan 0.000 0.422 225 V N 0.925 120.803 119.914 -0.059 0.000 2.809 225 V HA -0.133 3.989 4.120 0.002 0.000 0.256 225 V C 2.095 178.108 176.094 -0.134 0.000 1.080 225 V CA 1.420 63.669 62.300 -0.084 0.000 1.102 225 V CB 0.042 31.820 31.823 -0.075 0.000 0.705 225 V HN 0.345 nan 8.190 nan 0.000 0.475 226 V N -2.876 116.917 119.914 -0.203 0.000 3.431 226 V HA 0.282 4.403 4.120 0.002 0.000 0.253 226 V C 0.743 176.359 176.094 -0.796 0.000 1.184 226 V CA 0.533 62.558 62.300 -0.458 0.000 1.104 226 V CB -0.372 31.160 31.823 -0.486 0.000 0.799 226 V HN 0.686 nan 8.190 nan 0.000 0.462 227 H N 1.993 120.962 119.070 -0.169 0.000 2.490 227 H HA 0.481 5.038 4.556 0.001 0.000 0.230 227 H C -2.943 172.206 175.328 -0.298 0.000 1.417 227 H CA -1.719 54.107 56.048 -0.370 0.000 1.449 227 H CB 0.642 29.782 29.762 -1.037 0.000 1.649 227 H HN 0.300 nan 8.280 nan 0.000 0.519 228 P HA 0.012 nan 4.420 nan 0.000 0.267 228 P C -0.064 177.213 177.300 -0.038 0.000 1.201 228 P CA 0.149 63.160 63.100 -0.147 0.000 0.775 228 P CB 1.230 32.704 31.700 -0.377 0.000 0.854 229 C N 3.472 122.732 119.300 -0.066 0.000 3.232 229 C HA 0.396 4.857 4.460 0.002 0.000 0.432 229 C C -1.288 173.757 174.990 0.093 0.000 0.950 229 C CA -0.662 58.449 59.018 0.155 0.000 1.258 229 C CB -1.192 26.661 27.740 0.187 0.000 1.658 229 C HN 0.411 nan 8.230 nan 0.000 0.596 230 F N 4.438 124.477 119.950 0.147 0.000 2.399 230 F HA 0.751 5.279 4.527 0.001 0.000 0.328 230 F C 0.475 176.337 175.800 0.102 0.000 1.084 230 F CA -0.403 57.659 58.000 0.103 0.000 1.053 230 F CB 1.698 40.684 39.000 -0.023 0.000 1.209 230 F HN 0.359 nan 8.300 nan 0.000 0.502 231 V N 3.883 123.966 119.914 0.280 0.000 2.525 231 V HA 0.387 4.508 4.120 0.002 0.000 0.299 231 V C -1.067 175.192 176.094 0.275 0.000 1.034 231 V CA -0.734 61.697 62.300 0.219 0.000 0.863 231 V CB 1.732 33.693 31.823 0.230 0.000 0.999 231 V HN 0.547 nan 8.190 nan 0.000 0.423 232 L N 4.588 125.955 121.223 0.240 0.000 2.296 232 L HA 0.952 5.293 4.340 0.002 0.000 0.286 232 L C 0.087 177.130 176.870 0.289 0.000 1.023 232 L CA -0.188 54.811 54.840 0.265 0.000 0.812 232 L CB 1.442 43.563 42.059 0.104 0.000 1.223 232 L HN 0.758 nan 8.230 nan 0.000 0.421 233 A N 6.983 130.040 122.820 0.395 0.000 2.646 233 A HA 0.727 5.048 4.320 0.002 0.000 0.312 233 A C -2.792 175.010 177.584 0.363 0.000 1.245 233 A CA -1.239 51.021 52.037 0.372 0.000 0.755 233 A CB 0.169 19.423 19.000 0.423 0.000 1.132 233 A HN 0.569 nan 8.150 nan 0.000 0.458 234 P HA 0.204 nan 4.420 nan 0.000 0.278 234 P C -0.745 176.926 177.300 0.619 0.000 1.238 234 P CA -0.120 63.221 63.100 0.401 0.000 0.794 234 P CB 1.035 32.888 31.700 0.254 0.000 0.955 235 Q N 1.530 121.655 119.800 0.541 0.000 2.293 235 Q HA 0.459 4.800 4.340 0.002 0.000 0.261 235 Q C -1.112 175.081 176.000 0.320 0.000 0.960 235 Q CA -0.717 55.382 55.803 0.493 0.000 0.882 235 Q CB 1.161 30.034 28.738 0.226 0.000 1.275 235 Q HN 0.603 nan 8.270 nan 0.000 0.445 236 C N 5.534 124.940 119.300 0.176 0.000 2.366 236 C HA 0.844 5.305 4.460 0.002 0.000 0.345 236 C C -2.649 172.249 174.990 -0.154 0.000 1.209 236 C CA -1.872 56.947 59.018 -0.331 0.000 2.050 236 C CB 1.265 28.201 27.740 -1.341 0.000 2.359 236 C HN 0.706 nan 8.230 nan 0.000 0.527 237 P HA 0.425 nan 4.420 nan 0.000 0.301 237 P C -2.573 174.677 177.300 -0.084 0.000 1.350 237 P CA -1.727 61.334 63.100 -0.065 0.000 0.941 237 P CB 1.708 33.394 31.700 -0.024 0.000 1.128 238 P HA -0.069 nan 4.420 nan 0.000 0.221 238 P C 0.502 177.736 177.300 -0.111 0.000 1.145 238 P CA 1.494 64.543 63.100 -0.084 0.000 0.795 238 P CB -0.064 31.604 31.700 -0.053 0.000 0.775 239 N N -1.731 116.917 118.700 -0.086 0.000 2.338 239 N HA 0.173 4.914 4.740 0.002 0.000 0.251 239 N C 0.148 175.619 175.510 -0.066 0.000 1.199 239 N CA -0.197 52.806 53.050 -0.078 0.000 0.879 239 N CB 0.424 38.885 38.487 -0.043 0.000 1.159 239 N HN -0.060 nan 8.380 nan 0.000 0.514 240 S N -0.847 114.797 115.700 -0.094 0.000 3.605 240 S HA 0.789 5.260 4.470 0.002 0.000 0.301 240 S C -1.536 172.994 174.600 -0.117 0.000 1.083 240 S CA -0.141 58.018 58.200 -0.068 0.000 1.109 240 S CB 0.812 63.981 63.200 -0.051 0.000 1.364 240 S HN 0.205 nan 8.310 nan 0.000 0.758 241 S N -1.201 114.421 115.700 -0.130 0.000 2.735 241 S HA 0.193 4.664 4.470 0.002 0.000 0.279 241 S C -0.495 174.063 174.600 -0.070 0.000 0.989 241 S CA -0.458 57.636 58.200 -0.177 0.000 0.883 241 S CB -0.944 62.368 63.200 0.187 0.000 1.117 241 S HN 0.760 nan 8.310 nan 0.000 0.458 242 W N 2.352 123.695 121.300 0.073 0.000 2.358 242 W HA 0.092 4.754 4.660 0.002 0.000 0.303 242 W C 1.696 178.267 176.519 0.086 0.000 1.208 242 W CA 1.115 58.489 57.345 0.047 0.000 1.274 242 W CB -0.344 29.118 29.460 0.004 0.000 1.138 242 W HN 0.930 nan 8.180 nan 0.000 0.515 243 S N -0.518 115.371 115.700 0.316 0.000 2.681 243 S HA 0.303 4.774 4.470 0.002 0.000 0.299 243 S C 0.488 175.153 174.600 0.107 0.000 1.113 243 S CA -0.401 57.934 58.200 0.225 0.000 1.013 243 S CB 1.192 64.559 63.200 0.278 0.000 1.076 243 S HN 0.107 nan 8.310 nan 0.000 0.534 244 T N 0.830 115.421 114.554 0.061 0.000 4.678 244 T HA 0.095 4.446 4.350 0.002 0.000 0.230 244 T C 0.821 175.442 174.700 -0.133 0.000 0.757 244 T CA -0.117 61.970 62.100 -0.022 0.000 0.966 244 T CB -0.983 67.865 68.868 -0.033 0.000 1.424 244 T HN 0.577 nan 8.240 nan 0.000 0.886 245 L N 0.251 121.370 121.223 -0.173 0.000 2.115 245 L HA 0.409 4.750 4.340 0.002 0.000 0.200 245 L C 1.645 178.239 176.870 -0.460 0.000 1.094 245 L CA 1.199 55.772 54.840 -0.445 0.000 0.769 245 L CB -0.397 41.272 42.059 -0.650 0.000 0.931 245 L HN 0.404 nan 8.230 nan 0.000 0.455 246 F N -0.282 119.565 119.950 -0.172 0.000 2.811 246 F HA 0.081 4.609 4.527 0.002 0.000 0.301 246 F C 1.033 176.768 175.800 -0.108 0.000 1.151 246 F CA 0.646 58.556 58.000 -0.150 0.000 1.412 246 F CB -0.491 38.424 39.000 -0.142 0.000 1.113 246 F HN 0.274 nan 8.300 nan 0.000 0.579 247 T N -3.363 111.207 114.554 0.027 0.000 3.355 247 T HA 0.335 4.686 4.350 0.002 0.000 0.276 247 T C -0.780 173.901 174.700 -0.031 0.000 1.003 247 T CA -0.460 61.646 62.100 0.009 0.000 0.943 247 T CB 0.143 69.023 68.868 0.020 0.000 1.158 247 T HN 0.033 nan 8.240 nan 0.000 0.513 248 D N 0.795 121.155 120.400 -0.068 0.000 2.383 248 D HA 0.057 4.698 4.640 0.002 0.000 0.186 248 D C -1.015 175.205 176.300 -0.134 0.000 1.030 248 D CA -0.388 53.559 54.000 -0.089 0.000 0.880 248 D CB 1.123 41.870 40.800 -0.089 0.000 3.531 248 D HN 0.237 nan 8.370 nan 0.000 0.473 249 R N 3.019 123.453 120.500 -0.111 0.000 3.436 249 R HA 0.346 4.687 4.340 0.002 0.000 0.247 249 R C 0.351 176.583 176.300 -0.113 0.000 1.434 249 R CA -0.006 56.020 56.100 -0.123 0.000 1.543 249 R CB 0.231 30.475 30.300 -0.094 0.000 1.289 249 R HN 0.390 nan 8.270 nan 0.000 0.664 250 E N 1.341 121.453 120.200 -0.146 0.000 3.777 250 E HA 0.015 4.366 4.350 0.002 0.000 0.247 250 E C -1.030 175.450 176.600 -0.199 0.000 1.256 250 E CA 0.360 56.681 56.400 -0.132 0.000 1.786 250 E CB 0.539 30.184 29.700 -0.093 0.000 1.722 250 E HN 0.571 nan 8.360 nan 0.000 0.810 251 N N 1.438 119.976 118.700 -0.270 0.000 2.594 251 N HA 0.277 5.018 4.740 0.002 0.000 0.280 251 N C -2.718 172.421 175.510 -0.618 0.000 1.156 251 N CA -1.199 51.535 53.050 -0.526 0.000 0.831 251 N CB 2.283 40.562 38.487 -0.347 0.000 1.379 251 N HN -0.192 nan 8.380 nan 0.000 0.536 252 P HA 0.118 nan 4.420 nan 0.000 0.237 252 P C -0.814 176.314 177.300 -0.286 0.000 1.723 252 P CA -0.171 62.632 63.100 -0.496 0.000 0.882 252 P CB -0.510 30.893 31.700 -0.496 0.000 1.810 253 F N -2.039 117.950 119.950 0.064 0.000 2.728 253 F HA 0.251 4.779 4.527 0.002 0.000 0.314 253 F C 1.140 176.999 175.800 0.098 0.000 1.094 253 F CA -0.950 57.117 58.000 0.110 0.000 1.217 253 F CB -0.507 38.540 39.000 0.079 0.000 1.056 253 F HN -0.044 nan 8.300 nan 0.000 0.577 254 N N 3.102 121.910 118.700 0.179 0.000 2.513 254 N HA 0.195 4.936 4.740 0.002 0.000 0.274 254 N C -2.644 172.956 175.510 0.150 0.000 1.189 254 N CA -1.231 51.901 53.050 0.137 0.000 0.975 254 N CB 0.817 39.349 38.487 0.075 0.000 1.157 254 N HN -0.156 nan 8.380 nan 0.000 0.465 255 P HA 0.149 nan 4.420 nan 0.000 0.276 255 P C -0.375 177.022 177.300 0.162 0.000 1.243 255 P CA 0.044 63.259 63.100 0.190 0.000 0.768 255 P CB 0.923 32.751 31.700 0.214 0.000 0.856 256 E N 2.439 122.744 120.200 0.174 0.000 2.254 256 E HA 0.198 4.549 4.350 0.002 0.000 0.261 256 E C 1.204 177.897 176.600 0.155 0.000 1.051 256 E CA -0.555 55.928 56.400 0.137 0.000 0.902 256 E CB 0.756 30.524 29.700 0.112 0.000 1.168 256 E HN 0.112 nan 8.360 nan 0.000 0.423 257 K N 1.284 121.757 120.400 0.121 0.000 2.059 257 K HA -0.158 4.163 4.320 0.002 0.000 0.212 257 K C -1.140 175.557 176.600 0.162 0.000 1.050 257 K CA 2.216 58.580 56.287 0.128 0.000 0.927 257 K CB -0.957 31.601 32.500 0.097 0.000 0.714 257 K HN 0.392 nan 8.250 nan 0.000 0.447 258 P HA -0.205 nan 4.420 nan 0.000 0.215 258 P C 1.319 178.832 177.300 0.356 0.000 1.153 258 P CA 1.075 64.302 63.100 0.211 0.000 0.853 258 P CB 0.077 31.810 31.700 0.055 0.000 0.788 259 L N -1.069 120.386 121.223 0.387 0.000 2.017 259 L HA -0.177 4.164 4.340 0.002 0.000 0.208 259 L C 2.287 179.274 176.870 0.196 0.000 1.073 259 L CA 1.697 56.735 54.840 0.329 0.000 0.745 259 L CB -0.785 41.461 42.059 0.313 0.000 0.894 259 L HN -0.031 nan 8.230 nan 0.000 0.432 260 L N -0.450 120.895 121.223 0.202 0.000 2.042 260 L HA -0.235 4.106 4.340 0.002 0.000 0.210 260 L C 2.844 179.766 176.870 0.088 0.000 1.076 260 L CA 1.251 56.186 54.840 0.158 0.000 0.749 260 L CB -0.779 41.390 42.059 0.183 0.000 0.893 260 L HN 0.332 nan 8.230 nan 0.000 0.432 261 A N -0.065 122.839 122.820 0.141 0.000 1.851 261 A HA -0.201 4.120 4.320 0.002 0.000 0.216 261 A C 2.323 179.864 177.584 -0.073 0.000 1.195 261 A CA 2.084 54.210 52.037 0.147 0.000 0.622 261 A CB -1.064 18.102 19.000 0.277 0.000 0.831 261 A HN 0.174 nan 8.150 nan 0.000 0.444 262 V N 0.852 120.749 119.914 -0.027 0.000 2.313 262 V HA -0.362 3.760 4.120 0.002 0.000 0.253 262 V C 2.456 178.396 176.094 -0.257 0.000 1.070 262 V CA 2.158 64.367 62.300 -0.152 0.000 1.057 262 V CB -0.872 30.889 31.823 -0.103 0.000 0.653 262 V HN 0.548 nan 8.190 nan 0.000 0.450 263 I N -0.080 120.347 120.570 -0.238 0.000 2.127 263 I HA -0.262 3.909 4.170 0.002 0.000 0.241 263 I C 2.439 178.340 176.117 -0.361 0.000 1.075 263 I CA 1.875 62.957 61.300 -0.363 0.000 1.334 263 I CB -1.267 36.381 38.000 -0.587 0.000 1.040 263 I HN 0.392 nan 8.210 nan 0.000 0.405 264 K N 0.516 120.725 120.400 -0.319 0.000 2.152 264 K HA -0.170 4.151 4.320 0.002 0.000 0.206 264 K C 2.116 178.407 176.600 -0.516 0.000 1.048 264 K CA 1.415 57.511 56.287 -0.317 0.000 0.933 264 K CB -0.241 32.166 32.500 -0.156 0.000 0.721 264 K HN 0.434 nan 8.250 nan 0.000 0.447 265 I N -0.060 120.076 120.570 -0.722 0.000 2.500 265 I HA -0.168 4.003 4.170 0.002 0.000 0.252 265 I C 1.810 177.641 176.117 -0.477 0.000 1.142 265 I CA 1.065 61.900 61.300 -0.775 0.000 1.451 265 I CB 0.027 37.385 38.000 -1.070 0.000 1.093 265 I HN 0.075 nan 8.210 nan 0.000 0.430 266 I N 1.526 121.867 120.570 -0.382 0.000 2.194 266 I HA -0.309 3.862 4.170 0.002 0.000 0.246 266 I C 2.760 178.720 176.117 -0.261 0.000 1.093 266 I CA 1.566 62.693 61.300 -0.289 0.000 1.355 266 I CB -0.378 37.461 38.000 -0.269 0.000 1.046 266 I HN 0.228 nan 8.210 nan 0.000 0.413 267 R N 0.388 120.727 120.500 -0.268 0.000 2.092 267 R HA -0.163 4.178 4.340 0.002 0.000 0.231 267 R C 2.286 178.485 176.300 -0.169 0.000 1.119 267 R CA 0.994 56.970 56.100 -0.206 0.000 0.970 267 R CB -0.364 29.826 30.300 -0.183 0.000 0.864 267 R HN 0.350 nan 8.270 nan 0.000 0.440 268 K N 0.919 121.206 120.400 -0.188 0.000 2.032 268 K HA -0.167 4.154 4.320 0.002 0.000 0.209 268 K C 1.927 178.461 176.600 -0.110 0.000 1.048 268 K CA 1.172 57.381 56.287 -0.130 0.000 0.927 268 K CB 0.010 32.436 32.500 -0.124 0.000 0.712 268 K HN -0.019 nan 8.250 nan 0.000 0.441 269 L N 1.634 122.789 121.223 -0.113 0.000 2.012 269 L HA -0.170 4.171 4.340 0.002 0.000 0.210 269 L C 2.276 179.115 176.870 -0.051 0.000 1.073 269 L CA 1.475 56.306 54.840 -0.014 0.000 0.748 269 L CB -0.924 41.073 42.059 -0.103 0.000 0.891 269 L HN 0.277 nan 8.230 nan 0.000 0.431 270 L N -0.885 120.261 121.223 -0.129 0.000 2.012 270 L HA -0.255 4.086 4.340 0.002 0.000 0.210 270 L C 2.284 179.089 176.870 -0.110 0.000 1.073 270 L CA 1.325 56.085 54.840 -0.134 0.000 0.748 270 L CB -0.722 41.248 42.059 -0.148 0.000 0.891 270 L HN 0.292 nan 8.230 nan 0.000 0.431 271 D N 0.153 120.486 120.400 -0.111 0.000 2.084 271 D HA -0.194 4.447 4.640 0.002 0.000 0.194 271 D C 2.057 178.270 176.300 -0.144 0.000 0.990 271 D CA 1.353 55.288 54.000 -0.109 0.000 0.826 271 D CB -0.130 40.611 40.800 -0.098 0.000 0.971 271 D HN 0.369 nan 8.370 nan 0.000 0.453 272 E N -1.360 118.722 120.200 -0.196 0.000 2.347 272 E HA -0.042 4.309 4.350 0.002 0.000 0.196 272 E C -0.191 176.074 176.600 -0.558 0.000 1.008 272 E CA 0.500 56.654 56.400 -0.410 0.000 0.852 272 E CB 0.273 29.611 29.700 -0.603 0.000 0.783 272 E HN 0.293 nan 8.360 nan 0.000 0.505 273 Y N -0.291 119.932 120.300 -0.130 0.000 2.581 273 Y HA 0.163 4.714 4.550 0.001 0.000 0.345 273 Y C -0.111 175.709 175.900 -0.134 0.000 1.036 273 Y CA -1.748 56.269 58.100 -0.139 0.000 1.042 273 Y CB 0.892 39.145 38.460 -0.345 0.000 1.289 273 Y HN -0.112 nan 8.280 nan 0.000 0.471 274 N N 1.989 120.808 118.700 0.198 0.000 3.178 274 N HA 0.158 4.899 4.740 0.002 0.000 0.300 274 N C -0.884 174.702 175.510 0.128 0.000 1.242 274 N CA 0.426 53.565 53.050 0.148 0.000 1.192 274 N CB -0.392 38.219 38.487 0.207 0.000 1.463 274 N HN 0.572 nan 8.380 nan 0.000 0.539 275 I N -0.131 120.399 120.570 -0.066 0.000 2.498 275 I HA 0.119 4.290 4.170 0.002 0.000 0.301 275 I C 0.115 176.185 176.117 -0.078 0.000 0.984 275 I CA -0.905 60.316 61.300 -0.131 0.000 1.204 275 I CB 1.450 39.234 38.000 -0.360 0.000 1.362 275 I HN 0.112 nan 8.210 nan 0.000 0.471 276 D N 4.533 124.899 120.400 -0.057 0.000 2.380 276 D HA 0.094 4.735 4.640 0.002 0.000 0.230 276 D C 0.789 177.015 176.300 -0.122 0.000 1.154 276 D CA -0.231 53.721 54.000 -0.080 0.000 0.859 276 D CB 1.096 41.861 40.800 -0.059 0.000 1.045 276 D HN 0.400 nan 8.370 nan 0.000 0.495 277 E N 2.453 122.580 120.200 -0.121 0.000 2.233 277 E HA -0.218 4.133 4.350 0.002 0.000 0.199 277 E C 0.884 177.396 176.600 -0.146 0.000 1.004 277 E CA 1.269 57.584 56.400 -0.142 0.000 0.819 277 E CB -0.385 29.243 29.700 -0.120 0.000 0.738 277 E HN 0.581 nan 8.360 nan 0.000 0.478 278 N N 0.172 118.799 118.700 -0.123 0.000 2.398 278 N HA 0.073 4.814 4.740 0.002 0.000 0.188 278 N C 0.014 175.432 175.510 -0.153 0.000 1.122 278 N CA 0.076 53.060 53.050 -0.109 0.000 0.866 278 N CB 0.341 38.788 38.487 -0.066 0.000 0.970 278 N HN -0.035 nan 8.380 nan 0.000 0.462 279 R N 0.869 121.214 120.500 -0.259 0.000 2.647 279 R HA 0.275 4.616 4.340 0.002 0.000 0.295 279 R C -1.058 174.764 176.300 -0.797 0.000 1.267 279 R CA -0.199 55.556 56.100 -0.575 0.000 1.386 279 R CB 0.467 30.525 30.300 -0.403 0.000 1.309 279 R HN 0.106 nan 8.270 nan 0.000 0.692 280 I N 2.120 122.398 120.570 -0.486 0.000 2.291 280 I HA 0.227 4.398 4.170 0.002 0.000 0.290 280 I C -0.371 175.667 176.117 -0.132 0.000 1.050 280 I CA -0.533 60.583 61.300 -0.306 0.000 1.245 280 I CB 0.177 38.066 38.000 -0.185 0.000 1.405 280 I HN 0.058 nan 8.210 nan 0.000 0.478 281 Y N 6.446 126.726 120.300 -0.033 0.000 2.432 281 Y HA 0.674 5.224 4.550 0.001 0.000 0.322 281 Y C 0.091 175.884 175.900 -0.179 0.000 1.246 281 Y CA -1.320 56.695 58.100 -0.141 0.000 1.268 281 Y CB 1.180 39.429 38.460 -0.352 0.000 1.276 281 Y HN 0.365 nan 8.280 nan 0.000 0.499 282 I N 0.558 121.063 120.570 -0.110 0.000 2.680 282 I HA 0.501 4.672 4.170 0.002 0.000 0.291 282 I C -1.206 174.771 176.117 -0.234 0.000 1.244 282 I CA -0.015 61.110 61.300 -0.291 0.000 1.042 282 I CB 2.034 39.608 38.000 -0.711 0.000 1.277 282 I HN 0.682 nan 8.210 nan 0.000 0.423 283 T N 4.064 118.535 114.554 -0.138 0.000 2.894 283 T HA 0.910 5.261 4.350 0.002 0.000 0.309 283 T C -0.899 173.868 174.700 0.111 0.000 1.208 283 T CA -0.110 62.003 62.100 0.022 0.000 1.016 283 T CB 1.772 70.781 68.868 0.236 0.000 1.192 283 T HN 1.048 nan 8.240 nan 0.000 0.491 284 G N 2.102 110.978 108.800 0.126 0.000 2.523 284 G HA2 0.568 4.529 3.960 0.002 0.000 0.291 284 G HA3 0.568 4.529 3.960 0.002 0.000 0.291 284 G C -1.919 173.075 174.900 0.158 0.000 1.450 284 G CA -0.726 44.430 45.100 0.093 0.000 0.790 284 G HN 0.985 nan 8.290 nan 0.000 0.496 285 L N -0.921 120.396 121.223 0.156 0.000 2.365 285 L HA 0.894 5.235 4.340 0.002 0.000 0.273 285 L C 0.669 177.632 176.870 0.155 0.000 1.000 285 L CA -0.072 54.853 54.840 0.141 0.000 0.819 285 L CB 0.309 42.381 42.059 0.022 0.000 1.284 285 L HN 1.588 nan 8.230 nan 0.000 0.418 286 S N 2.395 118.269 115.700 0.291 0.000 4.151 286 S HA -0.346 4.125 4.470 0.002 0.000 0.617 286 S C 1.299 176.224 174.600 0.542 0.000 1.878 286 S CA 1.689 60.170 58.200 0.468 0.000 4.245 286 S CB -1.186 62.303 63.200 0.482 0.000 0.205 286 S HN 0.981 nan 8.310 nan 0.000 0.468 287 M N 1.466 121.361 119.600 0.491 0.000 2.213 287 M HA 0.004 4.485 4.480 0.002 0.000 0.263 287 M C 1.898 178.520 176.300 0.536 0.000 1.062 287 M CA 2.475 58.068 55.300 0.488 0.000 1.105 287 M CB -0.921 31.963 32.600 0.473 0.000 1.385 287 M HN 0.670 nan 8.290 nan 0.000 0.417 288 G N -1.120 107.909 108.800 0.382 0.000 2.534 288 G HA2 -0.022 3.939 3.960 0.002 0.000 0.217 288 G HA3 -0.022 3.939 3.960 0.002 0.000 0.217 288 G C 1.293 176.223 174.900 0.051 0.000 1.128 288 G CA 0.640 45.805 45.100 0.107 0.000 0.784 288 G HN 0.606 nan 8.290 nan 0.000 0.542 289 G N 0.165 109.080 108.800 0.192 0.000 2.404 289 G HA2 -0.107 3.854 3.960 0.002 0.000 0.213 289 G HA3 -0.107 3.854 3.960 0.002 0.000 0.213 289 G C 1.481 176.510 174.900 0.214 0.000 1.189 289 G CA 0.596 45.777 45.100 0.135 0.000 0.796 289 G HN 0.396 nan 8.290 nan 0.000 0.532 290 Y N 1.352 121.840 120.300 0.313 0.000 2.114 290 Y HA -0.145 4.406 4.550 0.002 0.000 0.282 290 Y C 3.090 179.158 175.900 0.280 0.000 1.165 290 Y CA 1.166 59.480 58.100 0.358 0.000 1.148 290 Y CB -0.611 38.028 38.460 0.297 0.000 0.972 290 Y HN 0.220 nan 8.280 nan 0.000 0.504 291 G N -0.956 108.066 108.800 0.371 0.000 2.476 291 G HA2 -0.290 3.671 3.960 0.002 0.000 0.218 291 G HA3 -0.290 3.671 3.960 0.002 0.000 0.218 291 G C 1.720 176.619 174.900 -0.003 0.000 1.164 291 G CA 1.793 46.995 45.100 0.169 0.000 0.768 291 G HN 0.358 nan 8.290 nan 0.000 0.560 292 T N -0.036 114.453 114.554 -0.107 0.000 2.708 292 T HA -0.147 4.204 4.350 0.002 0.000 0.266 292 T C 2.008 176.613 174.700 -0.159 0.000 1.037 292 T CA 1.322 63.268 62.100 -0.257 0.000 1.146 292 T CB -0.338 68.319 68.868 -0.350 0.000 0.865 292 T HN 0.540 nan 8.240 nan 0.000 0.435 293 W N 1.402 122.686 121.300 -0.026 0.000 2.338 293 W HA -0.143 4.518 4.660 0.001 0.000 0.304 293 W C 2.830 179.358 176.519 0.016 0.000 1.212 293 W CA 0.984 58.315 57.345 -0.023 0.000 1.264 293 W CB -0.741 28.686 29.460 -0.055 0.000 1.142 293 W HN 0.179 nan 8.180 nan 0.000 0.512 294 T N -0.034 114.710 114.554 0.316 0.000 2.737 294 T HA -0.175 4.176 4.350 0.002 0.000 0.265 294 T C 2.002 176.836 174.700 0.224 0.000 1.038 294 T CA 1.728 63.985 62.100 0.261 0.000 1.144 294 T CB -0.889 68.153 68.868 0.289 0.000 0.866 294 T HN 0.184 nan 8.240 nan 0.000 0.434 295 A N 2.117 125.051 122.820 0.191 0.000 1.884 295 A HA -0.150 4.171 4.320 0.002 0.000 0.219 295 A C 2.329 180.135 177.584 0.369 0.000 1.197 295 A CA 2.109 54.308 52.037 0.269 0.000 0.637 295 A CB -0.952 18.038 19.000 -0.016 0.000 0.827 295 A HN 0.741 nan 8.150 nan 0.000 0.450 296 I N -4.247 116.420 120.570 0.161 0.000 2.439 296 I HA -0.093 4.078 4.170 0.002 0.000 0.251 296 I C 2.431 178.692 176.117 0.240 0.000 1.139 296 I CA 1.686 63.139 61.300 0.255 0.000 1.438 296 I CB -0.329 37.728 38.000 0.095 0.000 1.085 296 I HN 0.216 nan 8.210 nan 0.000 0.427 297 M N 0.624 120.339 119.600 0.191 0.000 2.200 297 M HA -0.047 4.434 4.480 0.002 0.000 0.265 297 M C 1.832 178.158 176.300 0.044 0.000 1.066 297 M CA 1.338 56.713 55.300 0.125 0.000 1.127 297 M CB -0.026 32.645 32.600 0.118 0.000 1.379 297 M HN 0.172 nan 8.290 nan 0.000 0.420 298 E N -0.781 119.425 120.200 0.010 0.000 2.442 298 E HA 0.057 4.408 4.350 0.002 0.000 0.195 298 E C -0.279 175.935 176.600 -0.642 0.000 1.030 298 E CA 0.656 56.879 56.400 -0.295 0.000 0.869 298 E CB 0.349 29.837 29.700 -0.353 0.000 0.857 298 E HN 0.366 nan 8.360 nan 0.000 0.505 299 F N 0.213 120.242 119.950 0.132 0.000 2.566 299 F HA 0.248 4.776 4.527 0.001 0.000 0.352 299 F C -1.790 174.062 175.800 0.086 0.000 1.534 299 F CA -1.749 56.301 58.000 0.084 0.000 1.097 299 F CB 1.441 40.483 39.000 0.069 0.000 1.488 299 F HN -0.143 nan 8.300 nan 0.000 0.562 300 P HA -0.150 nan 4.420 nan 0.000 0.223 300 P C 1.057 178.420 177.300 0.106 0.000 1.144 300 P CA 1.406 64.598 63.100 0.155 0.000 0.783 300 P CB 0.437 32.190 31.700 0.090 0.000 0.771 301 E N -0.888 119.352 120.200 0.066 0.000 2.371 301 E HA -0.014 4.337 4.350 0.002 0.000 0.194 301 E C 1.854 178.406 176.600 -0.079 0.000 1.012 301 E CA 0.291 56.694 56.400 0.004 0.000 0.860 301 E CB -0.529 29.175 29.700 0.006 0.000 0.811 301 E HN 0.257 nan 8.360 nan 0.000 0.502 302 L N -0.413 120.706 121.223 -0.174 0.000 2.168 302 L HA 0.099 4.440 4.340 0.002 0.000 0.203 302 L C 0.234 176.778 176.870 -0.543 0.000 1.078 302 L CA 0.931 55.470 54.840 -0.502 0.000 0.780 302 L CB 0.153 41.681 42.059 -0.884 0.000 0.939 302 L HN -0.167 nan 8.230 nan 0.000 0.451 303 F N -1.506 118.431 119.950 -0.022 0.000 2.422 303 F HA 0.493 5.021 4.527 0.001 0.000 0.333 303 F C 1.185 176.973 175.800 -0.020 0.000 1.095 303 F CA -0.222 57.754 58.000 -0.041 0.000 1.038 303 F CB 1.016 40.003 39.000 -0.022 0.000 1.156 303 F HN -0.125 nan 8.300 nan 0.000 0.483 304 A N 2.256 125.167 122.820 0.152 0.000 1.975 304 A HA 0.606 4.927 4.320 0.002 0.000 0.215 304 A C 0.726 178.408 177.584 0.163 0.000 1.170 304 A CA 1.094 53.204 52.037 0.121 0.000 0.656 304 A CB -0.225 18.814 19.000 0.065 0.000 0.821 304 A HN 0.926 nan 8.150 nan 0.000 0.449 305 A N -2.329 120.624 122.820 0.221 0.000 2.599 305 A HA 0.669 4.990 4.320 0.002 0.000 0.294 305 A C -0.789 176.841 177.584 0.076 0.000 1.055 305 A CA 0.084 52.177 52.037 0.093 0.000 0.683 305 A CB 0.114 19.003 19.000 -0.185 0.000 1.278 305 A HN 1.623 nan 8.150 nan 0.000 0.412 306 A N 0.729 123.596 122.820 0.079 0.000 2.414 306 A HA 0.827 5.148 4.320 0.002 0.000 0.306 306 A C -0.987 176.628 177.584 0.052 0.000 1.054 306 A CA -0.394 51.615 52.037 -0.046 0.000 0.724 306 A CB 0.874 19.759 19.000 -0.193 0.000 1.267 306 A HN 0.993 nan 8.150 nan 0.000 0.418 307 I N 3.378 123.948 120.570 -0.001 0.000 2.502 307 I HA 0.289 4.460 4.170 0.002 0.000 0.276 307 I C -2.461 173.620 176.117 -0.060 0.000 1.057 307 I CA -1.809 59.526 61.300 0.059 0.000 1.163 307 I CB 2.058 40.144 38.000 0.144 0.000 1.288 307 I HN 0.351 nan 8.210 nan 0.000 0.479 308 P HA 0.345 nan 4.420 nan 0.000 0.286 308 P C -0.496 176.800 177.300 -0.007 0.000 1.321 308 P CA -0.066 62.852 63.100 -0.303 0.000 0.790 308 P CB 0.933 32.023 31.700 -1.017 0.000 0.897 309 I N 4.575 125.184 120.570 0.065 0.000 2.321 309 I HA 0.158 4.329 4.170 0.002 0.000 0.291 309 I C 0.602 176.802 176.117 0.138 0.000 0.998 309 I CA -0.554 60.827 61.300 0.135 0.000 1.227 309 I CB 0.634 38.681 38.000 0.077 0.000 1.368 309 I HN 0.539 nan 8.210 nan 0.000 0.466 310 C N 3.593 122.908 119.300 0.025 0.000 2.527 310 C HA 0.020 4.481 4.460 0.002 0.000 0.230 310 C C 0.627 175.685 174.990 0.112 0.000 1.222 310 C CA -0.322 58.568 59.018 -0.213 0.000 2.667 310 C CB -3.011 24.657 27.740 -0.121 0.000 1.625 310 C HN 1.140 nan 8.230 nan 0.000 0.361 311 G N 1.465 110.345 108.800 0.134 0.000 3.021 311 G HA2 1.063 5.024 3.960 0.002 0.000 0.290 311 G HA3 1.063 5.024 3.960 0.002 0.000 0.290 311 G C -0.264 174.320 174.900 -0.527 0.000 1.291 311 G CA -0.181 44.824 45.100 -0.158 0.000 0.834 311 G HN 2.072 nan 8.290 nan 0.000 0.564 312 G N -2.432 105.595 108.800 -1.289 0.000 2.687 312 G HA2 0.726 4.687 3.960 0.002 0.000 0.291 312 G HA3 0.726 4.687 3.960 0.002 0.000 0.291 312 G C -1.036 173.564 174.900 -0.500 0.000 1.420 312 G CA 0.082 44.665 45.100 -0.863 0.000 0.796 312 G HN 1.484 nan 8.290 nan 0.000 0.485 313 G N -0.521 107.858 108.800 -0.702 0.000 2.719 313 G HA2 0.473 4.434 3.960 0.002 0.000 0.298 313 G HA3 0.473 4.434 3.960 0.002 0.000 0.298 313 G C -1.817 171.949 174.900 -1.891 0.000 1.433 313 G CA -0.407 44.021 45.100 -1.120 0.000 1.034 313 G HN 0.395 nan 8.290 nan 0.000 0.517 314 D N 2.377 122.109 120.400 -1.114 0.000 2.411 314 D HA 0.227 4.868 4.640 0.002 0.000 0.225 314 D C 1.677 177.714 176.300 -0.439 0.000 1.156 314 D CA -0.453 53.136 54.000 -0.685 0.000 0.874 314 D CB 1.526 42.216 40.800 -0.183 0.000 1.034 314 D HN 0.035 nan 8.370 nan 0.000 0.502 315 V N 2.719 122.386 119.914 -0.411 0.000 2.427 315 V HA -0.212 3.909 4.120 0.002 0.000 0.248 315 V C 2.451 178.442 176.094 -0.172 0.000 1.051 315 V CA 1.631 63.757 62.300 -0.290 0.000 1.048 315 V CB -1.063 30.616 31.823 -0.241 0.000 0.666 315 V HN 0.619 nan 8.190 nan 0.000 0.456 316 S N 0.621 116.249 115.700 -0.119 0.000 2.462 316 S HA -0.226 4.245 4.470 0.002 0.000 0.243 316 S C 1.596 176.159 174.600 -0.061 0.000 1.003 316 S CA 1.564 59.723 58.200 -0.068 0.000 0.970 316 S CB -0.479 62.702 63.200 -0.032 0.000 0.762 316 S HN 0.727 nan 8.310 nan 0.000 0.510 317 K N 0.801 121.154 120.400 -0.078 0.000 2.373 317 K HA 0.259 4.580 4.320 0.002 0.000 0.202 317 K C 1.573 178.154 176.600 -0.032 0.000 1.025 317 K CA 0.504 56.764 56.287 -0.045 0.000 1.115 317 K CB 0.728 33.211 32.500 -0.029 0.000 0.858 317 K HN 0.391 nan 8.250 nan 0.000 0.525 318 V N -0.995 118.885 119.914 -0.057 0.000 3.078 318 V HA -0.138 3.983 4.120 0.002 0.000 0.265 318 V C 1.805 177.899 176.094 0.000 0.000 1.122 318 V CA 1.616 63.899 62.300 -0.029 0.000 1.141 318 V CB -0.112 31.668 31.823 -0.070 0.000 0.735 318 V HN 0.136 nan 8.190 nan 0.000 0.498 319 E N 1.706 121.900 120.200 -0.010 0.000 2.150 319 E HA -0.146 4.205 4.350 0.002 0.000 0.193 319 E C 2.268 178.876 176.600 0.014 0.000 0.985 319 E CA 1.525 57.924 56.400 -0.001 0.000 0.814 319 E CB -0.273 29.421 29.700 -0.010 0.000 0.752 319 E HN 0.741 nan 8.360 nan 0.000 0.466 320 R N 0.159 120.670 120.500 0.019 0.000 2.189 320 R HA -0.010 4.331 4.340 0.002 0.000 0.223 320 R C 2.028 178.360 176.300 0.053 0.000 1.092 320 R CA 1.439 57.557 56.100 0.030 0.000 0.989 320 R CB -0.545 29.771 30.300 0.026 0.000 0.876 320 R HN 0.391 nan 8.270 nan 0.000 0.457 321 I N -1.748 118.863 120.570 0.068 0.000 3.928 321 I HA 0.194 4.365 4.170 0.002 0.000 0.335 321 I C 1.859 178.028 176.117 0.086 0.000 1.325 321 I CA -0.206 61.154 61.300 0.099 0.000 1.107 321 I CB 0.200 38.290 38.000 0.149 0.000 1.014 321 I HN -0.142 nan 8.210 nan 0.000 0.400 322 K N 1.878 122.313 120.400 0.058 0.000 2.144 322 K HA -0.248 4.073 4.320 0.002 0.000 0.209 322 K C 0.883 177.516 176.600 0.053 0.000 1.047 322 K CA 2.468 58.782 56.287 0.046 0.000 0.927 322 K CB -0.036 32.480 32.500 0.027 0.000 0.716 322 K HN 0.392 nan 8.250 nan 0.000 0.454 323 D N -0.178 120.256 120.400 0.056 0.000 2.369 323 D HA 0.130 4.771 4.640 0.002 0.000 0.211 323 D C -0.035 176.307 176.300 0.070 0.000 1.077 323 D CA 0.150 54.182 54.000 0.055 0.000 0.842 323 D CB 0.244 41.069 40.800 0.042 0.000 0.947 323 D HN 0.235 nan 8.370 nan 0.000 0.509 324 I N 2.634 123.258 120.570 0.091 0.000 2.379 324 I HA 0.146 4.317 4.170 0.002 0.000 0.290 324 I C -2.175 174.023 176.117 0.135 0.000 1.063 324 I CA -1.886 59.480 61.300 0.108 0.000 1.351 324 I CB 0.749 38.824 38.000 0.126 0.000 1.410 324 I HN -0.384 nan 8.210 nan 0.000 0.505 325 P HA 0.188 nan 4.420 nan 0.000 0.263 325 P C -0.661 176.891 177.300 0.420 0.000 1.195 325 P CA 0.445 63.708 63.100 0.272 0.000 0.762 325 P CB 0.389 32.180 31.700 0.151 0.000 0.799 326 I N 3.350 124.177 120.570 0.427 0.000 2.569 326 I HA 0.367 4.538 4.170 0.002 0.000 0.290 326 I C -0.991 175.227 176.117 0.168 0.000 1.088 326 I CA -0.540 60.937 61.300 0.295 0.000 1.047 326 I CB 2.241 40.313 38.000 0.120 0.000 1.237 326 I HN 0.343 nan 8.210 nan 0.000 0.421 327 W N 8.003 129.206 121.300 -0.161 0.000 2.393 327 W HA 0.577 5.239 4.660 0.002 0.000 0.315 327 W C -1.429 174.967 176.519 -0.204 0.000 1.009 327 W CA -0.974 56.119 57.345 -0.419 0.000 1.313 327 W CB 1.144 30.090 29.460 -0.857 0.000 1.269 327 W HN 0.063 nan 8.180 nan 0.000 0.420 328 V N 7.179 127.239 119.914 0.242 0.000 2.607 328 V HA 0.414 4.535 4.120 0.002 0.000 0.289 328 V C -0.405 175.743 176.094 0.090 0.000 1.053 328 V CA -0.006 62.459 62.300 0.274 0.000 0.996 328 V CB 0.796 32.857 31.823 0.395 0.000 0.995 328 V HN 0.247 nan 8.190 nan 0.000 0.476 329 F N 2.712 122.782 119.950 0.200 0.000 2.565 329 F HA 0.716 5.243 4.527 0.002 0.000 0.313 329 F C -0.086 175.839 175.800 0.207 0.000 1.091 329 F CA -0.427 57.601 58.000 0.047 0.000 0.915 329 F CB 1.840 40.772 39.000 -0.113 0.000 1.208 329 F HN 0.503 nan 8.300 nan 0.000 0.453 330 H N 0.624 119.841 119.070 0.244 0.000 3.060 330 H HA 0.696 5.253 4.556 0.002 0.000 0.330 330 H C -1.718 173.755 175.328 0.242 0.000 1.305 330 H CA -0.883 55.334 56.048 0.282 0.000 1.209 330 H CB 2.051 32.005 29.762 0.320 0.000 1.913 330 H HN 0.800 nan 8.280 nan 0.000 0.534 331 A N 2.283 125.450 122.820 0.578 0.000 2.317 331 A HA 0.261 4.582 4.320 0.002 0.000 0.327 331 A C 1.359 179.142 177.584 0.331 0.000 1.178 331 A CA -0.338 51.945 52.037 0.410 0.000 0.817 331 A CB 1.051 20.245 19.000 0.323 0.000 1.189 331 A HN 0.799 nan 8.150 nan 0.000 0.489 332 E N 1.466 121.784 120.200 0.197 0.000 2.114 332 E HA -0.242 4.109 4.350 0.002 0.000 0.199 332 E C 0.210 176.885 176.600 0.125 0.000 1.008 332 E CA 2.007 58.479 56.400 0.120 0.000 0.810 332 E CB 0.034 29.789 29.700 0.092 0.000 0.739 332 E HN 0.811 nan 8.360 nan 0.000 0.456 333 D N 0.546 121.039 120.400 0.156 0.000 2.491 333 D HA -0.003 4.638 4.640 0.002 0.000 0.228 333 D C -0.136 176.268 176.300 0.173 0.000 1.183 333 D CA -0.362 53.722 54.000 0.141 0.000 0.827 333 D CB -0.516 40.358 40.800 0.123 0.000 0.989 333 D HN -0.085 nan 8.370 nan 0.000 0.494 334 D N 2.287 122.833 120.400 0.243 0.000 2.412 334 D HA -0.023 4.618 4.640 0.002 0.000 0.257 334 D C -1.289 175.141 176.300 0.218 0.000 1.217 334 D CA -1.286 52.891 54.000 0.295 0.000 0.897 334 D CB 1.500 42.596 40.800 0.494 0.000 1.132 334 D HN 0.068 nan 8.370 nan 0.000 0.493 335 P HA -0.005 nan 4.420 nan 0.000 0.251 335 P C 1.053 178.409 177.300 0.093 0.000 1.223 335 P CA 0.039 63.207 63.100 0.114 0.000 0.796 335 P CB 0.712 32.468 31.700 0.094 0.000 1.068 336 V N -0.683 119.264 119.914 0.055 0.000 2.521 336 V HA 0.067 4.188 4.120 0.002 0.000 0.239 336 V C 1.136 177.269 176.094 0.065 0.000 1.053 336 V CA 0.841 63.130 62.300 -0.018 0.000 1.073 336 V CB 0.117 31.699 31.823 -0.402 0.000 0.746 336 V HN -0.197 nan 8.190 nan 0.000 0.476 337 V N 2.997 123.010 119.914 0.164 0.000 2.325 337 V HA 0.387 4.508 4.120 0.002 0.000 0.280 337 V C -2.601 173.740 176.094 0.413 0.000 1.016 337 V CA -1.969 60.528 62.300 0.329 0.000 0.818 337 V CB 1.187 33.285 31.823 0.458 0.000 1.019 337 V HN 0.291 nan 8.190 nan 0.000 0.434 338 P HA -0.049 nan 4.420 nan 0.000 0.263 338 P C 0.984 178.269 177.300 -0.025 0.000 1.175 338 P CA 0.582 63.758 63.100 0.126 0.000 0.761 338 P CB 0.964 32.714 31.700 0.084 0.000 0.794 339 V N 2.979 122.753 119.914 -0.232 0.000 2.759 339 V HA -0.217 3.904 4.120 0.002 0.000 0.256 339 V C 2.154 178.012 176.094 -0.394 0.000 1.080 339 V CA 2.222 64.066 62.300 -0.761 0.000 1.101 339 V CB -1.034 30.586 31.823 -0.338 0.000 0.698 339 V HN 0.551 nan 8.190 nan 0.000 0.477 340 E N 0.736 120.834 120.200 -0.171 0.000 2.160 340 E HA -0.255 4.096 4.350 0.002 0.000 0.195 340 E C 1.946 178.471 176.600 -0.124 0.000 0.991 340 E CA 1.982 58.313 56.400 -0.114 0.000 0.810 340 E CB -0.458 29.206 29.700 -0.060 0.000 0.742 340 E HN 0.711 nan 8.360 nan 0.000 0.466 341 N N -0.346 118.304 118.700 -0.083 0.000 2.094 341 N HA -0.150 4.591 4.740 0.002 0.000 0.191 341 N C 1.702 177.128 175.510 -0.139 0.000 1.023 341 N CA 1.662 54.670 53.050 -0.071 0.000 0.857 341 N CB -0.172 38.355 38.487 0.067 0.000 1.013 341 N HN 0.163 nan 8.380 nan 0.000 0.426 342 S N 0.565 116.241 115.700 -0.041 0.000 2.362 342 S HA 0.065 4.536 4.470 0.002 0.000 0.221 342 S C 1.863 176.280 174.600 -0.305 0.000 1.032 342 S CA 0.399 58.584 58.200 -0.025 0.000 0.973 342 S CB 0.120 63.494 63.200 0.290 0.000 0.849 342 S HN 0.296 nan 8.310 nan 0.000 0.465 343 R N 0.563 120.880 120.500 -0.304 0.000 2.103 343 R HA -0.103 4.239 4.340 0.002 0.000 0.242 343 R C 2.273 178.394 176.300 -0.299 0.000 1.142 343 R CA 1.444 57.337 56.100 -0.346 0.000 0.960 343 R CB -0.816 29.376 30.300 -0.180 0.000 0.858 343 R HN 0.276 nan 8.270 nan 0.000 0.439 344 V N 0.906 120.664 119.914 -0.259 0.000 2.307 344 V HA -0.194 3.927 4.120 0.002 0.000 0.245 344 V C 1.885 177.791 176.094 -0.313 0.000 1.045 344 V CA 1.598 63.749 62.300 -0.249 0.000 1.024 344 V CB -0.205 31.490 31.823 -0.214 0.000 0.651 344 V HN 0.194 nan 8.190 nan 0.000 0.449 345 L N -0.217 120.745 121.223 -0.435 0.000 2.017 345 L HA -0.097 4.244 4.340 0.002 0.000 0.208 345 L C 2.601 179.276 176.870 -0.325 0.000 1.073 345 L CA 1.928 56.455 54.840 -0.523 0.000 0.745 345 L CB -1.721 39.710 42.059 -1.047 0.000 0.894 345 L HN 0.239 nan 8.230 nan 0.000 0.432 346 V N -0.121 119.605 119.914 -0.314 0.000 2.295 346 V HA -0.312 3.809 4.120 0.002 0.000 0.246 346 V C 2.664 178.634 176.094 -0.207 0.000 1.049 346 V CA 1.776 63.919 62.300 -0.262 0.000 1.024 346 V CB -0.585 30.931 31.823 -0.512 0.000 0.648 346 V HN 0.449 nan 8.190 nan 0.000 0.447 347 K N 0.141 120.409 120.400 -0.220 0.000 2.020 347 K HA -0.322 3.999 4.320 0.002 0.000 0.212 347 K C 2.278 178.803 176.600 -0.124 0.000 1.050 347 K CA 2.309 58.503 56.287 -0.154 0.000 0.929 347 K CB -0.172 32.242 32.500 -0.144 0.000 0.714 347 K HN 0.265 nan 8.250 nan 0.000 0.443 348 K N 0.664 120.981 120.400 -0.139 0.000 2.001 348 K HA -0.089 4.232 4.320 0.002 0.000 0.208 348 K C 2.009 178.558 176.600 -0.086 0.000 1.048 348 K CA 1.005 57.224 56.287 -0.112 0.000 0.932 348 K CB -0.461 31.957 32.500 -0.137 0.000 0.715 348 K HN 0.055 nan 8.250 nan 0.000 0.437 349 L N 0.832 122.003 121.223 -0.086 0.000 1.997 349 L HA -0.224 4.117 4.340 0.002 0.000 0.216 349 L C 2.366 179.214 176.870 -0.036 0.000 1.074 349 L CA 2.384 57.201 54.840 -0.038 0.000 0.763 349 L CB -1.688 40.371 42.059 -0.000 0.000 0.890 349 L HN 0.385 nan 8.230 nan 0.000 0.434 350 A N 0.122 122.908 122.820 -0.056 0.000 1.883 350 A HA -0.222 4.099 4.320 0.002 0.000 0.217 350 A C 1.983 179.540 177.584 -0.044 0.000 1.186 350 A CA 1.808 53.813 52.037 -0.053 0.000 0.624 350 A CB -0.576 18.383 19.000 -0.069 0.000 0.822 350 A HN 0.707 nan 8.150 nan 0.000 0.444 351 E N -1.324 118.846 120.200 -0.050 0.000 2.502 351 E HA 0.015 4.366 4.350 0.002 0.000 0.194 351 E C 0.823 177.403 176.600 -0.033 0.000 1.062 351 E CA 0.332 56.707 56.400 -0.042 0.000 0.867 351 E CB 0.019 29.691 29.700 -0.047 0.000 0.888 351 E HN 0.428 nan 8.360 nan 0.000 0.510 352 I N 0.630 121.181 120.570 -0.031 0.000 4.018 352 I HA 0.232 4.404 4.170 0.002 0.000 0.337 352 I C 1.342 177.451 176.117 -0.013 0.000 1.327 352 I CA 0.621 61.907 61.300 -0.022 0.000 1.100 352 I CB 0.408 38.393 38.000 -0.025 0.000 1.025 352 I HN 0.359 nan 8.210 nan 0.000 0.396 353 G N 0.184 108.976 108.800 -0.013 0.000 2.168 353 G HA2 -0.058 3.903 3.960 0.002 0.000 0.197 353 G HA3 -0.058 3.903 3.960 0.002 0.000 0.197 353 G C 1.021 175.923 174.900 0.003 0.000 0.997 353 G CA 0.154 45.251 45.100 -0.006 0.000 0.658 353 G HN 0.876 nan 8.290 nan 0.000 0.513 354 G N 0.973 109.775 108.800 0.005 0.000 2.652 354 G HA2 -0.131 3.830 3.960 0.002 0.000 0.278 354 G HA3 -0.131 3.830 3.960 0.002 0.000 0.278 354 G C 0.527 175.447 174.900 0.033 0.000 1.263 354 G CA 0.963 46.068 45.100 0.008 0.000 0.966 354 G HN 1.763 nan 8.290 nan 0.000 0.544 355 K N -1.438 118.981 120.400 0.032 0.000 3.419 355 K HA 0.021 4.342 4.320 0.002 0.000 0.272 355 K C -0.359 176.290 176.600 0.081 0.000 0.973 355 K CA 0.692 57.019 56.287 0.066 0.000 0.749 355 K CB -1.667 30.887 32.500 0.089 0.000 1.403 355 K HN 1.443 nan 8.250 nan 0.000 0.456 356 V N 0.719 120.640 119.914 0.012 0.000 2.638 356 V HA 0.472 4.593 4.120 0.002 0.000 0.306 356 V C -0.494 175.495 176.094 -0.175 0.000 1.052 356 V CA -0.762 61.523 62.300 -0.026 0.000 0.885 356 V CB 1.584 33.407 31.823 -0.001 0.000 0.999 356 V HN 0.408 nan 8.190 nan 0.000 0.424 357 R N 4.566 124.850 120.500 -0.360 0.000 2.758 357 R HA 0.650 4.991 4.340 0.002 0.000 0.265 357 R C -1.898 174.128 176.300 -0.456 0.000 1.016 357 R CA -0.746 54.937 56.100 -0.695 0.000 1.040 357 R CB 2.165 31.486 30.300 -1.632 0.000 1.152 357 R HN 0.684 nan 8.270 nan 0.000 0.503 358 Y N 0.075 120.004 120.300 -0.619 0.000 2.313 358 Y HA 0.214 4.765 4.550 0.001 0.000 0.320 358 Y C -1.520 174.172 175.900 -0.347 0.000 1.171 358 Y CA -0.538 57.346 58.100 -0.360 0.000 1.093 358 Y CB 1.862 40.191 38.460 -0.218 0.000 1.224 358 Y HN 0.509 nan 8.280 nan 0.000 0.421 359 T N 5.892 120.009 114.554 -0.729 0.000 2.772 359 T HA 0.290 4.641 4.350 0.002 0.000 0.288 359 T C -0.803 173.222 174.700 -1.124 0.000 0.994 359 T CA -0.602 61.023 62.100 -0.791 0.000 0.951 359 T CB 0.937 69.435 68.868 -0.617 0.000 0.933 359 T HN 0.599 nan 8.240 nan 0.000 0.447 360 E N 3.384 122.964 120.200 -1.034 0.000 2.141 360 E HA 0.235 4.586 4.350 0.002 0.000 0.259 360 E C -0.904 175.419 176.600 -0.462 0.000 0.883 360 E CA -0.761 55.199 56.400 -0.734 0.000 0.744 360 E CB 0.553 29.911 29.700 -0.570 0.000 1.150 360 E HN 0.536 nan 8.360 nan 0.000 0.420 361 Y N 2.676 122.838 120.300 -0.230 0.000 2.745 361 Y HA -0.071 4.481 4.550 0.002 0.000 0.335 361 Y C 0.887 176.730 175.900 -0.095 0.000 1.212 361 Y CA 0.405 58.335 58.100 -0.283 0.000 1.535 361 Y CB 0.011 38.294 38.460 -0.296 0.000 1.220 361 Y HN 0.434 nan 8.280 nan 0.000 0.531 362 E N 2.814 123.054 120.200 0.067 0.000 2.481 362 E HA -0.111 4.240 4.350 0.002 0.000 0.263 362 E C 0.173 176.892 176.600 0.199 0.000 0.992 362 E CA -0.172 56.302 56.400 0.123 0.000 0.938 362 E CB 0.444 30.226 29.700 0.137 0.000 0.933 362 E HN 0.444 nan 8.360 nan 0.000 0.453 363 K N 1.186 121.673 120.400 0.145 0.000 2.543 363 K HA -0.166 4.155 4.320 0.002 0.000 0.279 363 K C 0.947 177.638 176.600 0.153 0.000 1.001 363 K CA 1.135 57.505 56.287 0.138 0.000 1.088 363 K CB -0.121 32.436 32.500 0.095 0.000 0.863 363 K HN 0.717 nan 8.250 nan 0.000 0.488 364 G N 4.254 113.143 108.800 0.149 0.000 2.320 364 G HA2 -0.382 3.579 3.960 0.002 0.000 0.242 364 G HA3 -0.382 3.579 3.960 0.002 0.000 0.242 364 G C 0.641 175.635 174.900 0.157 0.000 1.033 364 G CA 0.422 45.594 45.100 0.120 0.000 0.620 364 G HN 0.748 nan 8.290 nan 0.000 0.517 365 F N 1.535 121.545 119.950 0.101 0.000 2.120 365 F HA -0.081 4.447 4.527 0.002 0.000 0.300 365 F C 2.748 178.641 175.800 0.156 0.000 1.095 365 F CA 2.781 60.870 58.000 0.147 0.000 1.249 365 F CB -0.132 38.975 39.000 0.179 0.000 0.995 365 F HN 0.197 nan 8.300 nan 0.000 0.480 366 M N 0.356 120.163 119.600 0.344 0.000 2.077 366 M HA -0.164 4.317 4.480 0.002 0.000 0.261 366 M C 2.147 178.459 176.300 0.020 0.000 1.070 366 M CA 1.574 57.020 55.300 0.243 0.000 1.125 366 M CB -1.393 31.359 32.600 0.254 0.000 1.339 366 M HN 0.193 nan 8.290 nan 0.000 0.409 367 E N 0.432 120.641 120.200 0.015 0.000 2.153 367 E HA -0.195 4.156 4.350 0.002 0.000 0.194 367 E C 1.938 178.438 176.600 -0.167 0.000 0.988 367 E CA 0.891 57.258 56.400 -0.057 0.000 0.811 367 E CB -0.457 29.232 29.700 -0.018 0.000 0.746 367 E HN 0.533 nan 8.360 nan 0.000 0.466 368 K N 0.863 121.150 120.400 -0.188 0.000 2.074 368 K HA -0.190 4.132 4.320 0.002 0.000 0.209 368 K C 1.564 177.847 176.600 -0.529 0.000 1.048 368 K CA 1.398 57.498 56.287 -0.312 0.000 0.926 368 K CB -0.135 32.187 32.500 -0.296 0.000 0.713 368 K HN 0.267 nan 8.250 nan 0.000 0.444 369 H N -1.242 117.394 119.070 -0.723 0.000 2.533 369 H HA 0.095 4.652 4.556 0.002 0.000 0.271 369 H C 0.654 175.227 175.328 -1.258 0.000 1.000 369 H CA 0.642 56.012 56.048 -1.130 0.000 1.149 369 H CB 0.715 29.367 29.762 -1.850 0.000 1.375 369 H HN 0.622 nan 8.280 nan 0.000 0.582 370 G N 0.696 109.111 108.800 -0.641 0.000 2.142 370 G HA2 -0.193 3.768 3.960 0.002 0.000 0.225 370 G HA3 -0.193 3.768 3.960 0.002 0.000 0.225 370 G C -0.580 174.194 174.900 -0.210 0.000 1.015 370 G CA -0.293 44.565 45.100 -0.404 0.000 0.716 370 G HN 0.198 nan 8.290 nan 0.000 0.508 371 W N 0.664 121.924 121.300 -0.068 0.000 2.702 371 W HA 0.544 5.205 4.660 0.002 0.000 0.331 371 W C -0.000 176.462 176.519 -0.095 0.000 1.049 371 W CA -2.063 55.223 57.345 -0.100 0.000 1.230 371 W CB 1.000 30.365 29.460 -0.159 0.000 1.408 371 W HN 0.144 nan 8.180 nan 0.000 0.492 372 D N 4.453 124.924 120.400 0.118 0.000 2.533 372 D HA -0.049 4.592 4.640 0.002 0.000 0.236 372 D C -1.110 175.206 176.300 0.026 0.000 1.137 372 D CA -0.477 53.548 54.000 0.041 0.000 0.867 372 D CB 1.683 42.474 40.800 -0.014 0.000 1.170 372 D HN -0.003 nan 8.370 nan 0.000 0.474 373 P HA -0.126 nan 4.420 nan 0.000 0.228 373 P C 0.946 178.291 177.300 0.075 0.000 1.151 373 P CA 0.893 64.046 63.100 0.089 0.000 0.770 373 P CB 0.080 31.862 31.700 0.136 0.000 0.786 374 H N 0.980 120.021 119.070 -0.048 0.000 2.428 374 H HA 0.073 4.630 4.556 0.002 0.000 0.296 374 H C 1.662 176.744 175.328 -0.411 0.000 1.062 374 H CA 1.456 57.475 56.048 -0.049 0.000 1.350 374 H CB -0.976 28.837 29.762 0.086 0.000 1.403 374 H HN 0.010 nan 8.280 nan 0.000 0.533 375 G N 0.184 108.441 108.800 -0.905 0.000 3.324 375 G HA2 -0.066 3.895 3.960 0.002 0.000 0.232 375 G HA3 -0.066 3.895 3.960 0.002 0.000 0.232 375 G C 1.103 175.075 174.900 -1.547 0.000 1.213 375 G CA 0.483 44.386 45.100 -1.995 0.000 1.637 375 G HN 0.537 nan 8.290 nan 0.000 0.572 376 S N -0.693 114.483 115.700 -0.873 0.000 2.537 376 S HA -0.141 4.330 4.470 0.002 0.000 0.240 376 S C 1.775 176.102 174.600 -0.456 0.000 0.981 376 S CA 0.858 58.763 58.200 -0.491 0.000 0.948 376 S CB -0.523 62.654 63.200 -0.039 0.000 0.759 376 S HN 0.826 nan 8.310 nan 0.000 0.531 377 W N 1.256 122.358 121.300 -0.330 0.000 2.519 377 W HA 0.288 4.949 4.660 0.001 0.000 0.266 377 W C 1.311 177.528 176.519 -0.503 0.000 1.253 377 W CA -0.355 56.724 57.345 -0.443 0.000 1.274 377 W CB -0.774 28.562 29.460 -0.207 0.000 1.114 377 W HN 0.179 nan 8.180 nan 0.000 0.596 378 I N 2.167 122.315 120.570 -0.703 0.000 2.113 378 I HA -0.220 3.951 4.170 0.002 0.000 0.238 378 I C -0.100 175.563 176.117 -0.758 0.000 1.070 378 I CA 1.440 62.288 61.300 -0.754 0.000 1.332 378 I CB -1.799 35.421 38.000 -1.300 0.000 1.044 378 I HN -0.173 nan 8.210 nan 0.000 0.402 379 P HA -0.073 nan 4.420 nan 0.000 0.221 379 P C 1.523 178.607 177.300 -0.360 0.000 1.150 379 P CA 1.403 64.201 63.100 -0.503 0.000 0.800 379 P CB -0.223 31.220 31.700 -0.429 0.000 0.787 380 T N -0.806 113.443 114.554 -0.508 0.000 2.701 380 T HA -0.144 4.207 4.350 0.002 0.000 0.263 380 T C 1.453 175.711 174.700 -0.737 0.000 1.040 380 T CA 1.355 62.969 62.100 -0.810 0.000 1.147 380 T CB -0.996 67.157 68.868 -1.191 0.000 0.865 380 T HN 0.035 nan 8.240 nan 0.000 0.426 381 Y N 1.633 121.673 120.300 -0.433 0.000 2.574 381 Y HA 0.059 4.610 4.550 0.001 0.000 0.294 381 Y C 2.164 177.842 175.900 -0.369 0.000 1.142 381 Y CA 0.066 57.903 58.100 -0.438 0.000 1.314 381 Y CB -0.292 37.932 38.460 -0.393 0.000 0.991 381 Y HN 0.193 nan 8.280 nan 0.000 0.555 382 E N -0.381 119.716 120.200 -0.172 0.000 2.465 382 E HA -0.016 4.335 4.350 0.002 0.000 0.191 382 E C 0.007 176.566 176.600 -0.068 0.000 1.053 382 E CA 0.027 56.372 56.400 -0.091 0.000 0.869 382 E CB -0.248 29.422 29.700 -0.050 0.000 0.977 382 E HN 0.219 nan 8.360 nan 0.000 0.483 383 N N 1.927 120.535 118.700 -0.153 0.000 2.469 383 N HA -0.023 4.718 4.740 0.002 0.000 0.239 383 N C 0.858 176.323 175.510 -0.075 0.000 1.053 383 N CA 0.076 53.063 53.050 -0.106 0.000 0.937 383 N CB 1.107 39.470 38.487 -0.206 0.000 1.163 383 N HN 0.033 nan 8.380 nan 0.000 0.509 384 Q N 2.551 122.374 119.800 0.039 0.000 2.170 384 Q HA -0.145 4.196 4.340 0.002 0.000 0.203 384 Q C 1.071 177.143 176.000 0.120 0.000 0.976 384 Q CA 1.363 57.233 55.803 0.111 0.000 0.858 384 Q CB 0.189 29.044 28.738 0.194 0.000 0.907 384 Q HN 0.639 nan 8.270 nan 0.000 0.433 385 E N -0.254 120.024 120.200 0.129 0.000 2.051 385 E HA -0.215 4.136 4.350 0.002 0.000 0.192 385 E C 1.875 178.626 176.600 0.251 0.000 0.991 385 E CA 1.058 57.591 56.400 0.221 0.000 0.799 385 E CB -0.124 29.740 29.700 0.274 0.000 0.748 385 E HN 0.517 nan 8.360 nan 0.000 0.449 386 A N 1.191 124.009 122.820 -0.004 0.000 1.883 386 A HA -0.197 4.124 4.320 0.002 0.000 0.217 386 A C 2.187 179.839 177.584 0.114 0.000 1.186 386 A CA 1.359 53.293 52.037 -0.172 0.000 0.624 386 A CB -0.724 17.927 19.000 -0.582 0.000 0.822 386 A HN 0.222 nan 8.150 nan 0.000 0.444 387 I N -0.447 120.120 120.570 -0.004 0.000 2.127 387 I HA -0.265 3.906 4.170 0.002 0.000 0.241 387 I C 2.603 178.798 176.117 0.130 0.000 1.075 387 I CA 1.563 62.871 61.300 0.012 0.000 1.334 387 I CB -0.330 37.446 38.000 -0.374 0.000 1.040 387 I HN 0.280 nan 8.210 nan 0.000 0.405 388 E N -0.165 120.141 120.200 0.177 0.000 2.051 388 E HA -0.278 4.073 4.350 0.002 0.000 0.192 388 E C 1.772 178.487 176.600 0.192 0.000 0.991 388 E CA 1.380 57.904 56.400 0.205 0.000 0.799 388 E CB -0.497 29.353 29.700 0.250 0.000 0.748 388 E HN 0.633 nan 8.360 nan 0.000 0.449 389 W N 1.337 122.694 121.300 0.094 0.000 2.342 389 W HA -0.211 4.450 4.660 0.002 0.000 0.297 389 W C 2.107 178.594 176.519 -0.055 0.000 1.213 389 W CA 1.474 58.882 57.345 0.104 0.000 1.251 389 W CB -0.387 29.255 29.460 0.303 0.000 1.136 389 W HN 0.133 nan 8.180 nan 0.000 0.526 390 L N -0.100 121.043 121.223 -0.134 0.000 2.046 390 L HA -0.115 4.226 4.340 0.002 0.000 0.208 390 L C 2.195 178.381 176.870 -1.141 0.000 1.077 390 L CA 1.921 56.273 54.840 -0.814 0.000 0.747 390 L CB -1.026 40.587 42.059 -0.743 0.000 0.896 390 L HN -0.044 nan 8.230 nan 0.000 0.432 391 F N 0.598 120.235 119.950 -0.523 0.000 2.451 391 F HA -0.097 4.430 4.527 0.001 0.000 0.299 391 F C 2.192 177.864 175.800 -0.213 0.000 1.101 391 F CA 1.051 58.822 58.000 -0.382 0.000 1.436 391 F CB -0.601 38.097 39.000 -0.504 0.000 1.074 391 F HN 0.360 nan 8.300 nan 0.000 0.553 392 E N -0.327 119.796 120.200 -0.128 0.000 2.494 392 E HA -0.010 4.341 4.350 0.002 0.000 0.193 392 E C 0.182 176.692 176.600 -0.149 0.000 1.074 392 E CA 0.039 56.396 56.400 -0.071 0.000 0.867 392 E CB -0.167 29.514 29.700 -0.031 0.000 0.924 392 E HN 0.286 nan 8.360 nan 0.000 0.502 393 Q N 1.045 120.689 119.800 -0.260 0.000 2.205 393 Q HA 0.520 4.861 4.340 0.002 0.000 0.249 393 Q C -0.342 175.719 176.000 0.102 0.000 0.948 393 Q CA -0.444 55.253 55.803 -0.177 0.000 0.895 393 Q CB 1.993 30.493 28.738 -0.398 0.000 1.249 393 Q HN 0.106 nan 8.270 nan 0.000 0.458 394 S N -0.390 115.346 115.700 0.060 0.000 2.656 394 S HA 0.541 5.012 4.470 0.002 0.000 0.265 394 S C -1.477 173.133 174.600 0.017 0.000 1.110 394 S CA -0.712 57.518 58.200 0.051 0.000 0.821 394 S CB 0.910 64.136 63.200 0.044 0.000 1.099 394 S HN 0.555 nan 8.310 nan 0.000 0.471 395 R N 0.000 120.499 120.500 -0.002 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 395 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535