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 1ax4_1_D DATA FIRST_RESID 2 DATA SEQUENCE AKRIVEPFRI KMVEKIRVPS REEREAALKE AGYNPFLLPS SAVYIDLLTD DATA SEQUENCE SGTNAMSDHQ WAAMITGDEA YAGSRNYYDL KDKAKELFNY DYIIPAHQGR DATA SEQUENCE GAENILFPVL LKYKQKEGKA KNPVFISNFH FDTTAAHVEL NGCKAINIVT DATA SEQUENCE EKAFDSETYD DWKGDFDIKK LKENIAQHGA DNIVAIVSTV TCNSAGGQPV DATA SEQUENCE SMSNLKEVYE IAKQHGIFVV MDSARFCENA YFIKARDPKY KNATIKEVIF DATA SEQUENCE DMYKYADALT MSAKXDPLLN IGGLVAIRDN EEIFTLARQR CVPMEGFVTY DATA SEQUENCE GGLAGRDMAA MVQGLEEGTE EEYLHYRIGQ VKYLGDRLRE AGIPIQYPTG DATA SEQUENCE GHAVFVDCKK LVPQIPGDQF PAQAVINALY LESGVRAVEI GSFLLGRDPA DATA SEQUENCE TGEQKHADME FMRLTIARRV YTNDHMDYIA DALIGLKEKF ATLKGLEFEY DATA SEQUENCE EPPVLRHFTA RLKPI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.744 177.584 0.266 0.000 1.274 2 A CA 0.000 52.118 52.037 0.134 0.000 0.836 2 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 3 K N 2.519 123.077 120.400 0.264 0.000 2.307 3 K HA 0.562 4.882 4.320 0.001 0.000 0.263 3 K C -0.472 176.166 176.600 0.064 0.000 0.973 3 K CA -0.595 55.782 56.287 0.151 0.000 0.846 3 K CB 0.923 33.478 32.500 0.093 0.000 1.100 3 K HN 0.761 nan 8.250 nan 0.000 0.438 4 R N 3.961 124.387 120.500 -0.123 0.000 2.340 4 R HA 0.339 4.680 4.340 0.001 0.000 0.300 4 R C -0.265 175.946 176.300 -0.149 0.000 1.069 4 R CA -0.186 55.708 56.100 -0.343 0.000 0.984 4 R CB 0.711 30.773 30.300 -0.398 0.000 1.003 4 R HN 0.528 nan 8.270 nan 0.000 0.459 5 I N 2.739 123.235 120.570 -0.124 0.000 2.404 5 I HA 0.195 4.365 4.170 0.001 0.000 0.293 5 I C 0.041 176.208 176.117 0.082 0.000 0.992 5 I CA -0.988 60.304 61.300 -0.013 0.000 1.149 5 I CB 1.994 39.961 38.000 -0.056 0.000 1.315 5 I HN 0.290 nan 8.210 nan 0.000 0.446 6 V N 6.014 125.952 119.914 0.040 0.000 2.775 6 V HA 0.126 4.247 4.120 0.001 0.000 0.299 6 V C 0.167 176.153 176.094 -0.180 0.000 1.062 6 V CA -0.194 62.080 62.300 -0.042 0.000 1.063 6 V CB 1.295 33.072 31.823 -0.076 0.000 0.994 6 V HN 0.699 nan 8.190 nan 0.000 0.483 7 E N 7.511 127.411 120.200 -0.500 0.000 2.415 7 E HA 0.173 4.524 4.350 0.001 0.000 0.263 7 E C -1.937 174.173 176.600 -0.815 0.000 0.995 7 E CA -1.028 54.634 56.400 -1.231 0.000 0.915 7 E CB 0.393 29.138 29.700 -1.591 0.000 0.951 7 E HN 0.584 nan 8.360 nan 0.000 0.449 8 P HA 0.093 nan 4.420 nan 0.000 0.244 8 P C -1.141 176.102 177.300 -0.096 0.000 1.632 8 P CA 0.068 63.030 63.100 -0.230 0.000 0.944 8 P CB -0.414 31.270 31.700 -0.026 0.000 1.569 9 F N -1.533 118.339 119.950 -0.130 0.000 2.745 9 F HA 0.711 5.239 4.527 0.001 0.000 0.316 9 F C -0.499 175.251 175.800 -0.084 0.000 1.155 9 F CA -1.647 56.303 58.000 -0.084 0.000 0.937 9 F CB 0.986 39.940 39.000 -0.077 0.000 1.361 9 F HN -0.228 nan 8.300 nan 0.000 0.472 10 R N 0.597 121.245 120.500 0.247 0.000 2.930 10 R HA 0.812 5.153 4.340 0.001 0.000 0.257 10 R C -1.425 175.021 176.300 0.244 0.000 1.107 10 R CA -1.039 55.152 56.100 0.153 0.000 0.999 10 R CB 1.829 32.159 30.300 0.049 0.000 1.209 10 R HN 0.718 nan 8.270 nan 0.000 0.486 11 I N 1.262 121.922 120.570 0.151 0.000 2.441 11 I HA 0.122 4.293 4.170 0.001 0.000 0.287 11 I C 1.031 177.171 176.117 0.039 0.000 1.049 11 I CA 0.001 61.365 61.300 0.105 0.000 1.381 11 I CB 1.281 39.332 38.000 0.085 0.000 1.409 11 I HN 0.808 nan 8.210 nan 0.000 0.523 12 K N 5.636 126.037 120.400 0.002 0.000 2.436 12 K HA 0.348 4.669 4.320 0.001 0.000 0.198 12 K C 0.107 176.668 176.600 -0.065 0.000 1.174 12 K CA 0.145 56.412 56.287 -0.032 0.000 0.951 12 K CB 0.819 33.292 32.500 -0.046 0.000 1.040 12 K HN 0.624 nan 8.250 nan 0.000 0.536 13 M N 1.806 121.363 119.600 -0.072 0.000 2.371 13 M HA 0.277 4.758 4.480 0.001 0.000 0.287 13 M C -1.518 174.742 176.300 -0.067 0.000 1.149 13 M CA -0.967 54.274 55.300 -0.099 0.000 0.929 13 M CB 2.037 34.529 32.600 -0.181 0.000 1.683 13 M HN -0.074 nan 8.290 nan 0.000 0.470 14 V N 0.794 120.676 119.914 -0.054 0.000 3.103 14 V HA 0.769 4.890 4.120 0.001 0.000 0.318 14 V C -1.113 174.959 176.094 -0.037 0.000 1.114 14 V CA -0.531 61.751 62.300 -0.030 0.000 1.020 14 V CB 1.945 33.767 31.823 -0.003 0.000 1.085 14 V HN 0.987 nan 8.190 nan 0.000 0.446 15 E N 1.355 121.540 120.200 -0.024 0.000 2.246 15 E HA 0.358 4.709 4.350 0.001 0.000 0.266 15 E C -0.941 175.662 176.600 0.006 0.000 0.880 15 E CA -0.808 55.581 56.400 -0.018 0.000 0.762 15 E CB 2.002 31.684 29.700 -0.031 0.000 1.180 15 E HN 0.833 nan 8.360 nan 0.000 0.416 16 K N 5.314 125.725 120.400 0.018 0.000 2.350 16 K HA 0.239 4.560 4.320 0.001 0.000 0.279 16 K C -0.181 176.457 176.600 0.063 0.000 1.027 16 K CA -0.116 56.196 56.287 0.043 0.000 0.969 16 K CB 0.372 32.893 32.500 0.035 0.000 0.954 16 K HN 0.534 nan 8.250 nan 0.000 0.474 17 I N 0.622 121.256 120.570 0.108 0.000 2.934 17 I HA 0.612 4.783 4.170 0.001 0.000 0.306 17 I C -0.881 175.352 176.117 0.192 0.000 1.110 17 I CA -1.234 60.160 61.300 0.156 0.000 1.019 17 I CB 2.103 40.204 38.000 0.169 0.000 1.227 17 I HN 0.612 nan 8.210 nan 0.000 0.434 18 R N 3.011 123.624 120.500 0.189 0.000 2.698 18 R HA 0.647 4.987 4.340 0.001 0.000 0.275 18 R C -2.138 174.149 176.300 -0.020 0.000 1.001 18 R CA -0.677 55.456 56.100 0.056 0.000 0.896 18 R CB 2.479 32.797 30.300 0.028 0.000 1.218 18 R HN 0.583 nan 8.270 nan 0.000 0.462 19 V N 5.072 124.815 119.914 -0.286 0.000 2.356 19 V HA 0.256 4.377 4.120 0.001 0.000 0.258 19 V C -1.769 174.249 176.094 -0.126 0.000 1.065 19 V CA -1.527 60.581 62.300 -0.320 0.000 0.935 19 V CB 0.605 32.136 31.823 -0.487 0.000 1.061 19 V HN 0.718 nan 8.190 nan 0.000 0.484 20 P HA 0.062 nan 4.420 nan 0.000 0.267 20 P C 0.315 177.588 177.300 -0.045 0.000 1.200 20 P CA 0.131 63.221 63.100 -0.018 0.000 0.772 20 P CB 0.458 32.177 31.700 0.032 0.000 0.855 21 S N 1.870 117.553 115.700 -0.028 0.000 2.560 21 S HA -0.070 4.401 4.470 0.001 0.000 0.276 21 S C 1.469 176.050 174.600 -0.032 0.000 1.350 21 S CA 0.073 58.255 58.200 -0.029 0.000 1.024 21 S CB 0.382 63.574 63.200 -0.013 0.000 0.864 21 S HN 0.592 nan 8.310 nan 0.000 0.536 22 R N 1.575 122.055 120.500 -0.034 0.000 2.096 22 R HA -0.165 4.175 4.340 0.001 0.000 0.235 22 R C 2.227 178.525 176.300 -0.003 0.000 1.127 22 R CA 2.076 58.157 56.100 -0.032 0.000 0.968 22 R CB -0.592 29.691 30.300 -0.029 0.000 0.861 22 R HN 0.934 nan 8.270 nan 0.000 0.440 23 E N 0.590 120.793 120.200 0.004 0.000 2.072 23 E HA -0.229 4.121 4.350 0.001 0.000 0.191 23 E C 1.588 178.205 176.600 0.029 0.000 0.985 23 E CA 1.434 57.845 56.400 0.018 0.000 0.801 23 E CB -0.337 29.372 29.700 0.015 0.000 0.750 23 E HN 0.577 nan 8.360 nan 0.000 0.452 24 E N 1.108 121.323 120.200 0.025 0.000 2.058 24 E HA -0.179 4.172 4.350 0.001 0.000 0.194 24 E C 2.352 178.999 176.600 0.077 0.000 0.997 24 E CA 1.366 57.791 56.400 0.041 0.000 0.801 24 E CB -0.120 29.602 29.700 0.036 0.000 0.746 24 E HN 0.251 nan 8.360 nan 0.000 0.450 25 R N 0.844 121.383 120.500 0.066 0.000 2.083 25 R HA -0.161 4.180 4.340 0.001 0.000 0.237 25 R C 2.331 178.760 176.300 0.215 0.000 1.137 25 R CA 1.391 57.577 56.100 0.142 0.000 0.951 25 R CB -0.340 29.892 30.300 -0.115 0.000 0.851 25 R HN 0.286 nan 8.270 nan 0.000 0.434 26 E N 0.628 120.891 120.200 0.105 0.000 2.038 26 E HA -0.219 4.131 4.350 0.001 0.000 0.195 26 E C 2.141 178.774 176.600 0.055 0.000 1.000 26 E CA 1.347 57.804 56.400 0.094 0.000 0.803 26 E CB -0.187 29.554 29.700 0.069 0.000 0.750 26 E HN 0.365 nan 8.360 nan 0.000 0.448 27 A N 1.665 124.512 122.820 0.045 0.000 1.883 27 A HA -0.205 4.115 4.320 0.001 0.000 0.217 27 A C 2.434 180.018 177.584 0.000 0.000 1.186 27 A CA 2.125 54.174 52.037 0.020 0.000 0.624 27 A CB -0.841 18.174 19.000 0.025 0.000 0.822 27 A HN 0.320 nan 8.150 nan 0.000 0.444 28 A N -0.520 122.324 122.820 0.040 0.000 1.859 28 A HA -0.122 4.199 4.320 0.001 0.000 0.217 28 A C 2.192 179.740 177.584 -0.061 0.000 1.198 28 A CA 1.962 54.012 52.037 0.022 0.000 0.629 28 A CB -0.820 18.241 19.000 0.103 0.000 0.830 28 A HN 0.848 nan 8.150 nan 0.000 0.446 29 L N -0.300 120.894 121.223 -0.048 0.000 2.083 29 L HA -0.129 4.212 4.340 0.001 0.000 0.209 29 L C 2.266 178.855 176.870 -0.469 0.000 1.083 29 L CA 2.529 57.238 54.840 -0.219 0.000 0.752 29 L CB -0.547 41.473 42.059 -0.065 0.000 0.899 29 L HN 0.446 nan 8.230 nan 0.000 0.433 30 K N -0.392 119.772 120.400 -0.394 0.000 2.020 30 K HA -0.294 4.027 4.320 0.001 0.000 0.212 30 K C 2.162 178.595 176.600 -0.278 0.000 1.050 30 K CA 2.130 58.149 56.287 -0.448 0.000 0.929 30 K CB -0.199 32.219 32.500 -0.137 0.000 0.714 30 K HN 0.523 nan 8.250 nan 0.000 0.443 31 E N -0.405 119.707 120.200 -0.147 0.000 2.204 31 E HA -0.112 4.238 4.350 0.001 0.000 0.194 31 E C 1.040 177.596 176.600 -0.073 0.000 0.989 31 E CA 0.818 57.172 56.400 -0.077 0.000 0.824 31 E CB 0.019 29.695 29.700 -0.041 0.000 0.756 31 E HN 0.379 nan 8.360 nan 0.000 0.477 32 A N 0.281 123.033 122.820 -0.115 0.000 2.276 32 A HA 0.286 4.606 4.320 0.001 0.000 0.212 32 A C 1.415 178.973 177.584 -0.044 0.000 1.230 32 A CA 0.570 52.564 52.037 -0.071 0.000 0.844 32 A CB -0.699 18.241 19.000 -0.101 0.000 0.860 32 A HN 0.382 nan 8.150 nan 0.000 0.486 33 G N -1.198 107.559 108.800 -0.073 0.000 2.323 33 G HA2 -0.308 3.652 3.960 0.001 0.000 0.292 33 G HA3 -0.308 3.652 3.960 0.001 0.000 0.292 33 G C 0.273 175.248 174.900 0.124 0.000 1.040 33 G CA 0.329 45.462 45.100 0.055 0.000 0.942 33 G HN 1.027 nan 8.290 nan 0.000 0.506 34 Y N -2.972 117.350 120.300 0.038 0.000 4.079 34 Y HA -0.227 4.324 4.550 0.001 0.000 0.223 34 Y C 0.980 176.886 175.900 0.010 0.000 1.155 34 Y CA 1.338 59.447 58.100 0.014 0.000 1.805 34 Y CB -1.769 36.690 38.460 -0.002 0.000 1.571 34 Y HN 0.756 nan 8.280 nan 0.000 0.654 35 N N -0.175 118.587 118.700 0.103 0.000 2.504 35 N HA 0.358 5.099 4.740 0.001 0.000 0.280 35 N C -2.115 173.461 175.510 0.110 0.000 1.052 35 N CA -2.574 50.575 53.050 0.165 0.000 0.887 35 N CB 1.791 40.447 38.487 0.282 0.000 1.323 35 N HN -0.290 nan 8.380 nan 0.000 0.509 36 P HA -0.022 nan 4.420 nan 0.000 0.221 36 P C 0.897 178.235 177.300 0.062 0.000 1.145 36 P CA 0.730 63.818 63.100 -0.019 0.000 0.795 36 P CB 0.013 31.690 31.700 -0.038 0.000 0.775 37 F N -0.722 119.288 119.950 0.099 0.000 2.722 37 F HA 0.028 4.555 4.527 0.001 0.000 0.298 37 F C 1.590 177.445 175.800 0.091 0.000 1.175 37 F CA 1.076 59.154 58.000 0.130 0.000 1.462 37 F CB -0.320 38.820 39.000 0.235 0.000 1.111 37 F HN -0.155 nan 8.300 nan 0.000 0.592 38 L N -0.846 120.519 121.223 0.238 0.000 2.858 38 L HA 0.209 4.550 4.340 0.001 0.000 0.251 38 L C 0.181 177.085 176.870 0.056 0.000 1.149 38 L CA -0.138 54.793 54.840 0.152 0.000 0.955 38 L CB 0.131 42.270 42.059 0.133 0.000 1.289 38 L HN -0.156 nan 8.230 nan 0.000 0.542 39 L N 1.122 122.348 121.223 0.004 0.000 2.436 39 L HA 0.256 4.597 4.340 0.001 0.000 0.265 39 L C -1.855 175.007 176.870 -0.014 0.000 1.168 39 L CA -1.615 53.197 54.840 -0.047 0.000 0.815 39 L CB 0.243 42.219 42.059 -0.138 0.000 1.109 39 L HN -0.141 nan 8.230 nan 0.000 0.462 40 P HA 0.116 nan 4.420 nan 0.000 0.276 40 P C 0.183 177.493 177.300 0.017 0.000 1.244 40 P CA -0.568 62.540 63.100 0.012 0.000 0.801 40 P CB 0.896 32.608 31.700 0.019 0.000 1.006 41 S N -0.527 115.187 115.700 0.022 0.000 2.453 41 S HA -0.125 4.346 4.470 0.001 0.000 0.231 41 S C 1.562 176.196 174.600 0.056 0.000 1.005 41 S CA 1.109 59.329 58.200 0.033 0.000 0.949 41 S CB -1.337 61.880 63.200 0.029 0.000 0.774 41 S HN 0.511 nan 8.310 nan 0.000 0.510 42 S N 1.465 117.197 115.700 0.053 0.000 2.515 42 S HA 0.308 4.779 4.470 0.001 0.000 0.231 42 S C 1.585 176.238 174.600 0.089 0.000 0.987 42 S CA 0.367 58.605 58.200 0.064 0.000 0.936 42 S CB -0.440 62.788 63.200 0.048 0.000 0.766 42 S HN 0.743 nan 8.310 nan 0.000 0.528 43 A N 0.591 123.472 122.820 0.102 0.000 2.307 43 A HA 0.598 4.918 4.320 0.001 0.000 0.218 43 A C 0.422 178.173 177.584 0.277 0.000 1.228 43 A CA -0.211 51.926 52.037 0.167 0.000 0.857 43 A CB 0.084 19.159 19.000 0.125 0.000 0.897 43 A HN 0.356 nan 8.150 nan 0.000 0.495 44 V N -0.824 119.218 119.914 0.214 0.000 2.680 44 V HA 0.272 4.392 4.120 0.001 0.000 0.309 44 V C 0.563 176.798 176.094 0.235 0.000 1.052 44 V CA -0.570 61.889 62.300 0.264 0.000 0.908 44 V CB 1.476 33.399 31.823 0.167 0.000 1.001 44 V HN 0.492 nan 8.190 nan 0.000 0.431 45 Y N 4.797 125.144 120.300 0.078 0.000 2.217 45 Y HA 0.442 4.993 4.550 0.001 0.000 0.286 45 Y C 0.610 176.500 175.900 -0.016 0.000 1.117 45 Y CA 0.617 58.719 58.100 0.004 0.000 1.113 45 Y CB 0.319 38.748 38.460 -0.051 0.000 1.053 45 Y HN 0.411 nan 8.280 nan 0.000 0.501 46 I N 1.956 122.328 120.570 -0.329 0.000 2.378 46 I HA 0.196 4.367 4.170 0.001 0.000 0.291 46 I C -1.100 174.878 176.117 -0.231 0.000 0.992 46 I CA -0.663 60.324 61.300 -0.522 0.000 1.154 46 I CB 1.262 38.785 38.000 -0.796 0.000 1.315 46 I HN 0.112 nan 8.210 nan 0.000 0.448 47 D N 7.061 127.392 120.400 -0.116 0.000 2.349 47 D HA 0.400 5.041 4.640 0.001 0.000 0.232 47 D C 0.032 176.309 176.300 -0.039 0.000 1.071 47 D CA -0.119 53.867 54.000 -0.023 0.000 0.832 47 D CB 1.512 42.339 40.800 0.046 0.000 1.086 47 D HN 0.398 nan 8.370 nan 0.000 0.504 48 L N 3.998 125.186 121.223 -0.060 0.000 3.122 48 L HA 0.144 4.485 4.340 0.001 0.000 0.274 48 L C 1.746 178.593 176.870 -0.038 0.000 1.222 48 L CA -0.292 54.513 54.840 -0.059 0.000 1.028 48 L CB 0.484 42.484 42.059 -0.098 0.000 1.386 48 L HN 0.267 nan 8.230 nan 0.000 0.578 49 L N -0.059 121.139 121.223 -0.042 0.000 2.079 49 L HA -0.036 4.305 4.340 0.001 0.000 0.210 49 L C 0.999 177.874 176.870 0.009 0.000 1.081 49 L CA 1.966 56.768 54.840 -0.063 0.000 0.752 49 L CB 0.063 42.013 42.059 -0.182 0.000 0.896 49 L HN 0.382 nan 8.230 nan 0.000 0.433 50 T N -2.858 111.718 114.554 0.036 0.000 2.749 50 T HA 0.224 4.575 4.350 0.001 0.000 0.310 50 T C -1.100 173.660 174.700 0.101 0.000 1.496 50 T CA -0.136 62.022 62.100 0.096 0.000 1.006 50 T CB 0.989 69.930 68.868 0.122 0.000 1.457 50 T HN 0.297 nan 8.240 nan 0.000 0.497 51 D N 0.682 121.160 120.400 0.130 0.000 2.463 51 D HA 0.218 4.858 4.640 0.001 0.000 0.224 51 D C 0.137 176.481 176.300 0.074 0.000 1.174 51 D CA -0.242 53.829 54.000 0.118 0.000 0.829 51 D CB 0.249 41.148 40.800 0.166 0.000 0.993 51 D HN 0.226 nan 8.370 nan 0.000 0.497 52 S N -0.208 115.534 115.700 0.068 0.000 2.420 52 S HA 0.486 4.956 4.470 0.001 0.000 0.313 52 S C 1.218 175.841 174.600 0.039 0.000 1.079 52 S CA 0.266 58.492 58.200 0.044 0.000 1.104 52 S CB 0.227 63.465 63.200 0.065 0.000 0.969 52 S HN 0.514 nan 8.310 nan 0.000 0.471 53 G N 3.630 112.443 108.800 0.021 0.000 2.168 53 G HA2 -0.285 3.676 3.960 0.001 0.000 0.263 53 G HA3 -0.285 3.676 3.960 0.001 0.000 0.263 53 G C 0.608 175.515 174.900 0.011 0.000 0.977 53 G CA 0.871 45.978 45.100 0.012 0.000 0.659 53 G HN 1.177 nan 8.290 nan 0.000 0.533 54 T N -1.874 112.691 114.554 0.018 0.000 3.054 54 T HA 0.284 4.635 4.350 0.001 0.000 0.255 54 T C 0.817 175.511 174.700 -0.009 0.000 1.035 54 T CA 0.155 62.261 62.100 0.010 0.000 0.941 54 T CB 0.380 69.264 68.868 0.027 0.000 1.026 54 T HN 0.366 nan 8.240 nan 0.000 0.533 55 N N 2.411 121.107 118.700 -0.006 0.000 2.307 55 N HA 0.368 5.109 4.740 0.001 0.000 0.230 55 N C -0.145 175.342 175.510 -0.038 0.000 1.297 55 N CA 0.111 53.149 53.050 -0.021 0.000 0.884 55 N CB 0.462 38.936 38.487 -0.021 0.000 1.115 55 N HN 0.497 nan 8.380 nan 0.000 0.436 56 A N 1.436 124.218 122.820 -0.063 0.000 2.290 56 A HA 0.465 4.786 4.320 0.001 0.000 0.310 56 A C 0.433 177.976 177.584 -0.069 0.000 1.202 56 A CA -0.547 51.455 52.037 -0.057 0.000 0.837 56 A CB 0.438 19.369 19.000 -0.114 0.000 1.139 56 A HN 0.590 nan 8.150 nan 0.000 0.509 57 M N 1.767 121.381 119.600 0.023 0.000 2.283 57 M HA 0.302 4.783 4.480 0.001 0.000 0.314 57 M C 1.007 177.337 176.300 0.050 0.000 1.153 57 M CA -0.276 55.025 55.300 0.003 0.000 1.084 57 M CB 1.512 34.097 32.600 -0.024 0.000 1.468 57 M HN 0.913 nan 8.290 nan 0.000 0.474 58 S N -0.372 115.342 115.700 0.022 0.000 2.681 58 S HA 0.156 4.626 4.470 0.001 0.000 0.270 58 S C 0.552 175.252 174.600 0.167 0.000 1.209 58 S CA -0.415 57.813 58.200 0.046 0.000 0.988 58 S CB 0.696 63.913 63.200 0.029 0.000 1.006 58 S HN 0.739 nan 8.310 nan 0.000 0.558 59 D N -0.303 120.152 120.400 0.091 0.000 2.178 59 D HA -0.189 4.451 4.640 0.001 0.000 0.202 59 D C 1.487 177.784 176.300 -0.005 0.000 0.974 59 D CA 1.448 55.470 54.000 0.038 0.000 0.841 59 D CB -0.946 39.808 40.800 -0.076 0.000 0.953 59 D HN 0.727 nan 8.370 nan 0.000 0.478 60 H N 0.554 119.654 119.070 0.050 0.000 2.421 60 H HA -0.013 4.544 4.556 0.001 0.000 0.298 60 H C 2.035 177.378 175.328 0.025 0.000 1.087 60 H CA 1.356 57.422 56.048 0.030 0.000 1.330 60 H CB 0.187 29.949 29.762 -0.000 0.000 1.388 60 H HN 0.379 nan 8.280 nan 0.000 0.526 61 Q N -0.437 119.434 119.800 0.118 0.000 2.046 61 Q HA -0.179 4.162 4.340 0.001 0.000 0.200 61 Q C 2.140 178.112 176.000 -0.046 0.000 0.975 61 Q CA 1.233 57.033 55.803 -0.005 0.000 0.836 61 Q CB -0.112 28.578 28.738 -0.081 0.000 0.896 61 Q HN 0.456 nan 8.270 nan 0.000 0.428 62 W N 0.349 121.629 121.300 -0.033 0.000 2.402 62 W HA -0.103 4.558 4.660 0.001 0.000 0.286 62 W C 2.410 178.908 176.519 -0.035 0.000 1.221 62 W CA 1.196 58.519 57.345 -0.037 0.000 1.257 62 W CB -0.194 29.236 29.460 -0.050 0.000 1.120 62 W HN 0.169 nan 8.180 nan 0.000 0.551 63 A N 0.132 123.049 122.820 0.162 0.000 1.898 63 A HA -0.057 4.264 4.320 0.001 0.000 0.216 63 A C 2.061 179.678 177.584 0.056 0.000 1.181 63 A CA 2.146 54.230 52.037 0.079 0.000 0.620 63 A CB -1.286 17.719 19.000 0.007 0.000 0.819 63 A HN 0.167 nan 8.150 nan 0.000 0.442 64 A N -0.496 122.349 122.820 0.042 0.000 1.978 64 A HA -0.146 4.174 4.320 0.001 0.000 0.220 64 A C 2.244 179.825 177.584 -0.004 0.000 1.170 64 A CA 1.819 53.868 52.037 0.019 0.000 0.636 64 A CB -0.550 18.454 19.000 0.008 0.000 0.810 64 A HN 0.544 nan 8.150 nan 0.000 0.448 65 M N -0.614 118.967 119.600 -0.033 0.000 2.132 65 M HA -0.093 4.388 4.480 0.001 0.000 0.263 65 M C 1.934 178.235 176.300 0.002 0.000 1.065 65 M CA 1.188 56.453 55.300 -0.058 0.000 1.122 65 M CB -0.535 31.968 32.600 -0.160 0.000 1.365 65 M HN 0.301 nan 8.290 nan 0.000 0.411 66 I N 0.465 121.063 120.570 0.048 0.000 2.264 66 I HA -0.198 3.973 4.170 0.001 0.000 0.248 66 I C 2.214 178.353 176.117 0.037 0.000 1.111 66 I CA 1.840 63.174 61.300 0.057 0.000 1.382 66 I CB -1.663 36.382 38.000 0.074 0.000 1.060 66 I HN 0.382 nan 8.210 nan 0.000 0.418 67 T N -1.683 112.890 114.554 0.032 0.000 3.206 67 T HA 0.324 4.675 4.350 0.001 0.000 0.253 67 T C 0.951 175.667 174.700 0.027 0.000 1.042 67 T CA -0.238 61.879 62.100 0.029 0.000 0.931 67 T CB -0.543 68.343 68.868 0.030 0.000 1.029 67 T HN 0.252 nan 8.240 nan 0.000 0.564 68 G N 0.899 109.711 108.800 0.020 0.000 2.491 68 G HA2 0.330 4.291 3.960 0.001 0.000 0.242 68 G HA3 0.330 4.291 3.960 0.001 0.000 0.242 68 G C -0.705 174.211 174.900 0.027 0.000 1.266 68 G CA -0.490 44.622 45.100 0.020 0.000 0.844 68 G HN 0.330 nan 8.290 nan 0.000 0.571 69 D N 0.927 121.351 120.400 0.040 0.000 2.339 69 D HA 0.138 4.778 4.640 0.001 0.000 0.241 69 D C 0.915 177.236 176.300 0.036 0.000 1.183 69 D CA -0.448 53.581 54.000 0.048 0.000 0.859 69 D CB 0.863 41.709 40.800 0.077 0.000 1.067 69 D HN 0.257 nan 8.370 nan 0.000 0.484 70 E N 2.049 122.260 120.200 0.019 0.000 2.463 70 E HA 0.101 4.452 4.350 0.001 0.000 0.191 70 E C 0.332 176.930 176.600 -0.002 0.000 1.083 70 E CA -0.131 56.264 56.400 -0.008 0.000 0.872 70 E CB -0.090 29.601 29.700 -0.015 0.000 0.966 70 E HN 0.501 nan 8.360 nan 0.000 0.491 71 A N 0.483 123.326 122.820 0.038 0.000 2.531 71 A HA -0.090 4.230 4.320 0.001 0.000 0.236 71 A C 0.825 178.449 177.584 0.067 0.000 1.062 71 A CA -0.072 52.007 52.037 0.070 0.000 0.760 71 A CB 0.093 19.151 19.000 0.097 0.000 0.995 71 A HN 0.270 nan 8.150 nan 0.000 0.501 72 Y N 1.940 122.230 120.300 -0.017 0.000 2.224 72 Y HA 0.129 4.679 4.550 0.001 0.000 0.289 72 Y C 1.220 177.219 175.900 0.165 0.000 1.146 72 Y CA 2.041 60.137 58.100 -0.007 0.000 1.182 72 Y CB 0.084 38.509 38.460 -0.059 0.000 0.983 72 Y HN 0.790 nan 8.280 nan 0.000 0.524 73 A N -1.547 121.395 122.820 0.203 0.000 2.374 73 A HA 0.552 4.873 4.320 0.001 0.000 0.305 73 A C 0.601 178.300 177.584 0.192 0.000 1.053 73 A CA -0.304 51.864 52.037 0.219 0.000 0.726 73 A CB 0.711 19.765 19.000 0.090 0.000 1.229 73 A HN 0.791 nan 8.150 nan 0.000 0.431 74 G N 1.134 110.034 108.800 0.166 0.000 2.160 74 G HA2 -0.082 3.879 3.960 0.001 0.000 0.244 74 G HA3 -0.082 3.879 3.960 0.001 0.000 0.244 74 G C 0.573 175.663 174.900 0.318 0.000 1.022 74 G CA 0.730 45.991 45.100 0.268 0.000 0.741 74 G HN 2.019 nan 8.290 nan 0.000 0.508 75 S N -0.713 115.097 115.700 0.184 0.000 2.558 75 S HA 0.179 4.650 4.470 0.001 0.000 0.291 75 S C 2.027 176.805 174.600 0.298 0.000 1.306 75 S CA 0.692 59.008 58.200 0.194 0.000 1.056 75 S CB 0.457 63.740 63.200 0.138 0.000 0.836 75 S HN 0.486 nan 8.310 nan 0.000 0.504 76 R N 3.313 123.976 120.500 0.272 0.000 2.105 76 R HA -0.160 4.180 4.340 0.001 0.000 0.239 76 R C 1.771 178.217 176.300 0.243 0.000 1.135 76 R CA 2.321 58.600 56.100 0.299 0.000 0.967 76 R CB -0.578 29.820 30.300 0.163 0.000 0.861 76 R HN 0.764 nan 8.270 nan 0.000 0.442 77 N N -0.417 118.376 118.700 0.156 0.000 2.309 77 N HA -0.190 4.551 4.740 0.001 0.000 0.182 77 N C 1.447 176.998 175.510 0.068 0.000 1.018 77 N CA 0.808 53.915 53.050 0.094 0.000 0.876 77 N CB -0.221 38.305 38.487 0.066 0.000 0.972 77 N HN 0.286 nan 8.380 nan 0.000 0.434 78 Y N 0.526 120.796 120.300 -0.051 0.000 2.145 78 Y HA -0.257 4.294 4.550 0.001 0.000 0.286 78 Y C 1.450 177.224 175.900 -0.209 0.000 1.145 78 Y CA 1.442 59.440 58.100 -0.171 0.000 1.148 78 Y CB -0.398 37.888 38.460 -0.291 0.000 0.981 78 Y HN 0.033 nan 8.280 nan 0.000 0.507 79 Y N 0.682 120.956 120.300 -0.043 0.000 2.224 79 Y HA -0.209 4.341 4.550 0.001 0.000 0.289 79 Y C 2.308 178.117 175.900 -0.152 0.000 1.146 79 Y CA 1.576 59.593 58.100 -0.139 0.000 1.182 79 Y CB -0.711 37.770 38.460 0.034 0.000 0.983 79 Y HN 0.170 nan 8.280 nan 0.000 0.524 80 D N -0.220 120.208 120.400 0.047 0.000 2.117 80 D HA -0.149 4.492 4.640 0.001 0.000 0.197 80 D C 2.179 178.436 176.300 -0.072 0.000 0.987 80 D CA 0.921 54.920 54.000 -0.001 0.000 0.829 80 D CB -0.495 40.314 40.800 0.014 0.000 0.961 80 D HN 0.233 nan 8.370 nan 0.000 0.460 81 L N 1.235 122.385 121.223 -0.122 0.000 2.046 81 L HA -0.125 4.216 4.340 0.001 0.000 0.208 81 L C 2.079 178.840 176.870 -0.182 0.000 1.077 81 L CA 1.761 56.518 54.840 -0.137 0.000 0.747 81 L CB -0.442 41.541 42.059 -0.127 0.000 0.896 81 L HN -0.132 nan 8.230 nan 0.000 0.432 82 K N -0.722 119.486 120.400 -0.320 0.000 2.032 82 K HA -0.209 4.111 4.320 0.001 0.000 0.209 82 K C 1.720 178.228 176.600 -0.153 0.000 1.048 82 K CA 1.919 58.035 56.287 -0.285 0.000 0.927 82 K CB -0.192 32.050 32.500 -0.430 0.000 0.712 82 K HN 0.364 nan 8.250 nan 0.000 0.441 83 D N 0.559 120.892 120.400 -0.112 0.000 2.144 83 D HA -0.155 4.486 4.640 0.001 0.000 0.199 83 D C 1.817 178.066 176.300 -0.085 0.000 0.984 83 D CA 1.091 55.046 54.000 -0.075 0.000 0.834 83 D CB -0.073 40.700 40.800 -0.045 0.000 0.955 83 D HN 0.129 nan 8.370 nan 0.000 0.465 84 K N 1.170 121.515 120.400 -0.093 0.000 2.057 84 K HA -0.013 4.308 4.320 0.001 0.000 0.207 84 K C 1.855 178.359 176.600 -0.160 0.000 1.049 84 K CA 1.324 57.543 56.287 -0.114 0.000 0.931 84 K CB -0.467 31.976 32.500 -0.095 0.000 0.714 84 K HN 0.017 nan 8.250 nan 0.000 0.440 85 A N 0.585 123.345 122.820 -0.100 0.000 1.933 85 A HA -0.183 4.138 4.320 0.001 0.000 0.218 85 A C 2.047 179.602 177.584 -0.049 0.000 1.175 85 A CA 2.053 54.081 52.037 -0.015 0.000 0.628 85 A CB -0.543 18.511 19.000 0.090 0.000 0.814 85 A HN 0.329 nan 8.150 nan 0.000 0.444 86 K N 0.422 120.785 120.400 -0.062 0.000 2.025 86 K HA -0.146 4.175 4.320 0.001 0.000 0.207 86 K C 1.981 178.556 176.600 -0.042 0.000 1.049 86 K CA 1.934 58.198 56.287 -0.039 0.000 0.933 86 K CB -0.347 32.122 32.500 -0.050 0.000 0.714 86 K HN 0.569 nan 8.250 nan 0.000 0.438 87 E N 0.052 120.202 120.200 -0.083 0.000 2.058 87 E HA -0.193 4.157 4.350 0.001 0.000 0.194 87 E C 1.943 178.480 176.600 -0.104 0.000 0.997 87 E CA 1.487 57.843 56.400 -0.073 0.000 0.801 87 E CB -0.075 29.561 29.700 -0.105 0.000 0.746 87 E HN 0.365 nan 8.360 nan 0.000 0.450 88 L N -0.757 120.248 121.223 -0.364 0.000 2.095 88 L HA -0.065 4.276 4.340 0.001 0.000 0.204 88 L C 1.891 178.378 176.870 -0.639 0.000 1.080 88 L CA 0.765 55.236 54.840 -0.615 0.000 0.759 88 L CB -0.086 41.223 42.059 -1.250 0.000 0.914 88 L HN 0.158 nan 8.230 nan 0.000 0.439 89 F N -1.954 117.787 119.950 -0.348 0.000 2.717 89 F HA 0.220 4.748 4.527 0.001 0.000 0.297 89 F C 1.070 176.544 175.800 -0.543 0.000 1.113 89 F CA -0.347 57.245 58.000 -0.680 0.000 1.319 89 F CB -0.336 37.918 39.000 -1.243 0.000 1.097 89 F HN 0.017 nan 8.300 nan 0.000 0.595 90 N N -0.272 118.368 118.700 -0.099 0.000 2.818 90 N HA -0.238 4.503 4.740 0.001 0.000 0.250 90 N C -1.236 174.384 175.510 0.185 0.000 1.108 90 N CA 0.328 53.390 53.050 0.019 0.000 0.745 90 N CB -1.751 36.638 38.487 -0.164 0.000 1.104 90 N HN 0.125 nan 8.380 nan 0.000 0.557 91 Y N 0.135 120.403 120.300 -0.054 0.000 2.323 91 Y HA 0.329 4.880 4.550 0.001 0.000 0.331 91 Y C 1.431 177.233 175.900 -0.163 0.000 1.092 91 Y CA -1.304 56.743 58.100 -0.087 0.000 1.150 91 Y CB 1.040 39.463 38.460 -0.062 0.000 1.200 91 Y HN -0.035 nan 8.280 nan 0.000 0.472 92 D N 1.428 121.726 120.400 -0.170 0.000 2.354 92 D HA -0.014 4.627 4.640 0.001 0.000 0.209 92 D C -0.638 175.190 176.300 -0.786 0.000 1.015 92 D CA 1.001 54.703 54.000 -0.498 0.000 0.867 92 D CB 0.205 40.550 40.800 -0.760 0.000 0.933 92 D HN 0.347 nan 8.370 nan 0.000 0.520 93 Y N 0.140 120.287 120.300 -0.254 0.000 2.425 93 Y HA 0.464 5.014 4.550 0.001 0.000 0.344 93 Y C 0.212 175.991 175.900 -0.202 0.000 0.969 93 Y CA -1.392 56.407 58.100 -0.502 0.000 1.052 93 Y CB 1.638 39.490 38.460 -1.014 0.000 1.215 93 Y HN -0.242 nan 8.280 nan 0.000 0.451 94 I N 0.675 121.284 120.570 0.065 0.000 2.865 94 I HA 0.804 4.974 4.170 0.001 0.000 0.302 94 I C -1.491 174.799 176.117 0.288 0.000 1.140 94 I CA -1.115 60.265 61.300 0.134 0.000 1.021 94 I CB 2.753 40.761 38.000 0.013 0.000 1.233 94 I HN 0.466 nan 8.210 nan 0.000 0.427 95 I N 4.558 125.243 120.570 0.192 0.000 2.497 95 I HA 0.436 4.607 4.170 0.001 0.000 0.284 95 I C -2.478 173.664 176.117 0.042 0.000 1.060 95 I CA -1.934 59.441 61.300 0.125 0.000 1.071 95 I CB 2.023 40.059 38.000 0.059 0.000 1.216 95 I HN 0.370 nan 8.210 nan 0.000 0.442 96 P HA 0.309 nan 4.420 nan 0.000 0.270 96 P C -0.795 176.484 177.300 -0.035 0.000 1.223 96 P CA -0.150 62.953 63.100 0.005 0.000 0.785 96 P CB 1.035 32.755 31.700 0.034 0.000 0.923 97 A N 0.710 123.512 122.820 -0.030 0.000 2.587 97 A HA 0.455 4.775 4.320 0.001 0.000 0.293 97 A C 0.989 178.571 177.584 -0.003 0.000 1.087 97 A CA -0.457 51.560 52.037 -0.033 0.000 0.692 97 A CB 0.402 19.348 19.000 -0.089 0.000 1.291 97 A HN 0.783 nan 8.150 nan 0.000 0.407 98 H N 0.124 119.180 119.070 -0.024 0.000 2.423 98 H HA -0.001 4.555 4.556 0.001 0.000 0.297 98 H C 0.285 175.609 175.328 -0.007 0.000 1.075 98 H CA 1.647 57.694 56.048 -0.002 0.000 1.342 98 H CB 0.343 30.112 29.762 0.011 0.000 1.395 98 H HN 0.773 nan 8.280 nan 0.000 0.530 99 Q N -1.926 117.511 119.800 -0.606 0.000 2.869 99 Q HA 0.353 4.694 4.340 0.001 0.000 0.322 99 Q C 0.688 176.501 176.000 -0.311 0.000 0.832 99 Q CA -0.335 55.239 55.803 -0.382 0.000 0.791 99 Q CB 0.332 28.888 28.738 -0.303 0.000 1.412 99 Q HN -0.035 nan 8.270 nan 0.000 0.483 100 G N 0.803 109.492 108.800 -0.185 0.000 2.442 100 G HA2 -0.298 3.663 3.960 0.001 0.000 0.219 100 G HA3 -0.298 3.663 3.960 0.001 0.000 0.219 100 G C 1.349 176.152 174.900 -0.162 0.000 1.141 100 G CA 1.148 46.161 45.100 -0.145 0.000 0.763 100 G HN 0.680 nan 8.290 nan 0.000 0.554 101 R N 0.277 120.707 120.500 -0.117 0.000 2.235 101 R HA 0.153 4.494 4.340 0.001 0.000 0.213 101 R C 2.420 178.601 176.300 -0.199 0.000 1.059 101 R CA 1.200 57.257 56.100 -0.072 0.000 0.997 101 R CB -0.586 29.795 30.300 0.136 0.000 0.884 101 R HN 0.215 nan 8.270 nan 0.000 0.462 102 G N 1.025 109.676 108.800 -0.249 0.000 2.403 102 G HA2 -0.139 3.821 3.960 0.001 0.000 0.216 102 G HA3 -0.139 3.821 3.960 0.001 0.000 0.216 102 G C 1.626 176.400 174.900 -0.209 0.000 1.154 102 G CA 0.518 45.515 45.100 -0.172 0.000 0.784 102 G HN 0.430 nan 8.290 nan 0.000 0.538 103 A N 0.943 123.624 122.820 -0.232 0.000 1.933 103 A HA 0.013 4.334 4.320 0.001 0.000 0.218 103 A C 2.123 179.506 177.584 -0.334 0.000 1.175 103 A CA 1.879 53.788 52.037 -0.213 0.000 0.628 103 A CB -0.326 18.574 19.000 -0.167 0.000 0.814 103 A HN 0.442 nan 8.150 nan 0.000 0.444 104 E N -0.467 119.424 120.200 -0.514 0.000 2.047 104 E HA -0.212 4.138 4.350 0.001 0.000 0.191 104 E C 1.999 178.098 176.600 -0.834 0.000 0.987 104 E CA 1.156 56.987 56.400 -0.948 0.000 0.799 104 E CB -0.218 28.918 29.700 -0.941 0.000 0.752 104 E HN 0.640 nan 8.360 nan 0.000 0.449 105 N N 0.911 119.126 118.700 -0.809 0.000 2.205 105 N HA -0.149 4.591 4.740 0.001 0.000 0.186 105 N C 1.544 176.929 175.510 -0.210 0.000 1.015 105 N CA 1.031 53.771 53.050 -0.517 0.000 0.862 105 N CB -0.033 38.267 38.487 -0.311 0.000 0.986 105 N HN 0.138 nan 8.380 nan 0.000 0.429 106 I N -0.755 119.703 120.570 -0.186 0.000 2.193 106 I HA -0.183 3.988 4.170 0.001 0.000 0.240 106 I C 1.935 178.021 176.117 -0.052 0.000 1.084 106 I CA 0.618 61.857 61.300 -0.102 0.000 1.365 106 I CB -0.111 37.828 38.000 -0.101 0.000 1.064 106 I HN 0.178 nan 8.210 nan 0.000 0.410 107 L N -0.290 120.907 121.223 -0.043 0.000 2.127 107 L HA -0.030 4.310 4.340 0.001 0.000 0.203 107 L C 2.132 179.173 176.870 0.285 0.000 1.080 107 L CA 1.628 56.526 54.840 0.096 0.000 0.768 107 L CB -0.547 41.606 42.059 0.157 0.000 0.924 107 L HN -0.009 nan 8.230 nan 0.000 0.444 108 F N 0.678 120.646 119.950 0.030 0.000 2.102 108 F HA -0.041 4.487 4.527 0.001 0.000 0.298 108 F C -0.168 175.721 175.800 0.147 0.000 1.105 108 F CA 0.797 58.875 58.000 0.129 0.000 1.239 108 F CB -2.665 36.350 39.000 0.025 0.000 0.991 108 F HN 0.174 nan 8.300 nan 0.000 0.474 109 P HA -0.124 nan 4.420 nan 0.000 0.216 109 P C 2.174 179.545 177.300 0.119 0.000 1.150 109 P CA 1.256 64.456 63.100 0.166 0.000 0.837 109 P CB 0.006 31.771 31.700 0.109 0.000 0.786 110 V N -0.708 119.258 119.914 0.087 0.000 2.427 110 V HA -0.197 3.924 4.120 0.001 0.000 0.248 110 V C 2.399 178.499 176.094 0.011 0.000 1.051 110 V CA 1.530 63.845 62.300 0.025 0.000 1.048 110 V CB -1.110 30.696 31.823 -0.028 0.000 0.666 110 V HN 0.069 nan 8.190 nan 0.000 0.456 111 L N -0.881 120.350 121.223 0.013 0.000 2.056 111 L HA -0.158 4.183 4.340 0.001 0.000 0.207 111 L C 2.432 179.306 176.870 0.006 0.000 1.078 111 L CA 1.113 55.906 54.840 -0.078 0.000 0.749 111 L CB -0.593 41.404 42.059 -0.103 0.000 0.901 111 L HN 0.344 nan 8.230 nan 0.000 0.433 112 L N 0.529 121.796 121.223 0.072 0.000 1.994 112 L HA -0.244 4.097 4.340 0.001 0.000 0.208 112 L C 2.597 179.495 176.870 0.048 0.000 1.071 112 L CA 1.933 56.809 54.840 0.061 0.000 0.745 112 L CB -0.669 41.469 42.059 0.132 0.000 0.892 112 L HN 0.143 nan 8.230 nan 0.000 0.431 113 K N -1.826 118.613 120.400 0.064 0.000 2.063 113 K HA -0.294 4.026 4.320 0.001 0.000 0.208 113 K C 2.319 178.954 176.600 0.058 0.000 1.048 113 K CA 2.006 58.323 56.287 0.050 0.000 0.928 113 K CB -0.545 31.985 32.500 0.049 0.000 0.713 113 K HN 0.455 nan 8.250 nan 0.000 0.442 114 Y N 1.373 121.631 120.300 -0.070 0.000 2.224 114 Y HA -0.217 4.333 4.550 0.001 0.000 0.289 114 Y C 2.166 178.018 175.900 -0.080 0.000 1.146 114 Y CA 1.999 60.047 58.100 -0.087 0.000 1.182 114 Y CB -0.018 38.359 38.460 -0.138 0.000 0.983 114 Y HN 0.005 nan 8.280 nan 0.000 0.524 115 K N 0.198 120.596 120.400 -0.004 0.000 2.103 115 K HA -0.116 4.205 4.320 0.001 0.000 0.204 115 K C 2.049 178.592 176.600 -0.096 0.000 1.052 115 K CA 1.590 57.830 56.287 -0.079 0.000 0.945 115 K CB -0.145 32.323 32.500 -0.053 0.000 0.722 115 K HN 0.432 nan 8.250 nan 0.000 0.443 116 Q N 0.172 119.935 119.800 -0.061 0.000 2.172 116 Q HA -0.137 4.204 4.340 0.001 0.000 0.200 116 Q C 1.814 177.772 176.000 -0.070 0.000 0.964 116 Q CA 1.432 57.204 55.803 -0.052 0.000 0.855 116 Q CB -0.116 28.609 28.738 -0.022 0.000 0.918 116 Q HN 0.344 nan 8.270 nan 0.000 0.444 117 K N 1.389 121.732 120.400 -0.095 0.000 2.074 117 K HA -0.243 4.077 4.320 0.001 0.000 0.209 117 K C 1.201 177.729 176.600 -0.120 0.000 1.048 117 K CA 1.947 58.171 56.287 -0.105 0.000 0.926 117 K CB -0.126 32.296 32.500 -0.130 0.000 0.713 117 K HN 0.180 nan 8.250 nan 0.000 0.444 118 E N -0.449 119.653 120.200 -0.164 0.000 2.409 118 E HA -0.022 4.329 4.350 0.001 0.000 0.198 118 E C 1.004 177.551 176.600 -0.088 0.000 1.024 118 E CA 0.547 56.864 56.400 -0.138 0.000 0.861 118 E CB 0.060 29.657 29.700 -0.171 0.000 0.788 118 E HN 0.736 nan 8.360 nan 0.000 0.521 119 G N 0.889 109.646 108.800 -0.072 0.000 2.179 119 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 119 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 119 G C 0.367 175.242 174.900 -0.043 0.000 0.990 119 G CA 0.199 45.270 45.100 -0.049 0.000 0.646 119 G HN 0.176 nan 8.290 nan 0.000 0.517 120 K N -0.175 120.193 120.400 -0.053 0.000 2.868 120 K HA 0.681 5.002 4.320 0.001 0.000 0.304 120 K C 1.481 178.058 176.600 -0.037 0.000 1.007 120 K CA -0.240 56.021 56.287 -0.044 0.000 1.123 120 K CB 0.123 32.591 32.500 -0.052 0.000 1.408 120 K HN 1.430 nan 8.250 nan 0.000 0.522 121 A N 0.594 123.392 122.820 -0.036 0.000 2.745 121 A HA -0.257 4.064 4.320 0.001 0.000 0.296 121 A C 0.818 178.393 177.584 -0.015 0.000 1.500 121 A CA 1.515 53.532 52.037 -0.033 0.000 0.766 121 A CB -1.974 17.001 19.000 -0.042 0.000 1.030 121 A HN 0.702 nan 8.150 nan 0.000 0.489 122 K N -0.834 119.562 120.400 -0.008 0.000 2.155 122 K HA -0.062 4.258 4.320 0.001 0.000 0.203 122 K C 0.291 176.897 176.600 0.011 0.000 1.052 122 K CA 1.495 57.783 56.287 0.001 0.000 0.948 122 K CB -0.001 32.499 32.500 0.000 0.000 0.728 122 K HN 0.752 nan 8.250 nan 0.000 0.448 123 N N 1.251 119.962 118.700 0.019 0.000 2.841 123 N HA 0.143 4.883 4.740 0.001 0.000 0.257 123 N C -2.851 172.676 175.510 0.027 0.000 1.396 123 N CA -1.265 51.806 53.050 0.035 0.000 0.823 123 N CB 1.446 39.968 38.487 0.058 0.000 1.162 123 N HN -0.010 nan 8.380 nan 0.000 0.503 124 P HA 0.119 nan 4.420 nan 0.000 0.276 124 P C -0.497 176.793 177.300 -0.017 0.000 1.230 124 P CA -0.247 62.844 63.100 -0.015 0.000 0.776 124 P CB 1.440 33.142 31.700 0.003 0.000 0.888 125 V N 0.920 120.783 119.914 -0.086 0.000 3.102 125 V HA 0.708 4.829 4.120 0.001 0.000 0.312 125 V C -1.272 174.788 176.094 -0.056 0.000 1.135 125 V CA -1.012 61.245 62.300 -0.072 0.000 1.022 125 V CB 1.993 33.644 31.823 -0.286 0.000 1.056 125 V HN 0.194 nan 8.190 nan 0.000 0.436 126 F N 1.771 121.670 119.950 -0.085 0.000 2.532 126 F HA 0.771 5.298 4.527 0.001 0.000 0.321 126 F C -0.019 175.850 175.800 0.115 0.000 1.089 126 F CA -0.825 57.178 58.000 0.005 0.000 0.926 126 F CB 1.998 41.024 39.000 0.044 0.000 1.168 126 F HN 0.415 nan 8.300 nan 0.000 0.459 127 I N 1.898 122.634 120.570 0.277 0.000 2.433 127 I HA 0.498 4.669 4.170 0.001 0.000 0.292 127 I C -0.326 175.912 176.117 0.200 0.000 1.001 127 I CA -0.363 61.078 61.300 0.235 0.000 1.119 127 I CB 2.030 40.111 38.000 0.135 0.000 1.289 127 I HN 0.506 nan 8.210 nan 0.000 0.438 128 S N 2.954 118.671 115.700 0.029 0.000 2.627 128 S HA 0.319 4.790 4.470 0.001 0.000 0.283 128 S C 0.633 175.012 174.600 -0.368 0.000 1.127 128 S CA -0.787 57.293 58.200 -0.200 0.000 0.863 128 S CB 1.307 64.020 63.200 -0.813 0.000 1.121 128 S HN 0.731 nan 8.310 nan 0.000 0.479 129 N N 1.173 119.318 118.700 -0.926 0.000 2.120 129 N HA 0.020 4.761 4.740 0.001 0.000 0.188 129 N C -0.207 175.140 175.510 -0.272 0.000 1.024 129 N CA 1.348 53.844 53.050 -0.924 0.000 0.852 129 N CB -0.289 37.513 38.487 -1.141 0.000 1.003 129 N HN 0.425 nan 8.380 nan 0.000 0.424 130 F N 0.119 119.903 119.950 -0.276 0.000 2.767 130 F HA 0.237 4.765 4.527 0.001 0.000 0.341 130 F C -1.289 174.495 175.800 -0.026 0.000 1.192 130 F CA -1.003 56.950 58.000 -0.078 0.000 1.127 130 F CB 0.586 39.574 39.000 -0.021 0.000 1.388 130 F HN -0.095 nan 8.300 nan 0.000 0.574 131 H N 5.019 124.271 119.070 0.304 0.000 2.848 131 H HA 0.254 4.811 4.556 0.001 0.000 0.317 131 H C -0.099 175.475 175.328 0.410 0.000 1.046 131 H CA 0.358 56.584 56.048 0.296 0.000 1.470 131 H CB 0.527 30.381 29.762 0.154 0.000 1.483 131 H HN 0.466 nan 8.280 nan 0.000 0.548 132 F N 2.285 122.429 119.950 0.322 0.000 2.480 132 F HA -0.043 4.484 4.527 0.001 0.000 0.319 132 F C 1.012 176.955 175.800 0.239 0.000 1.230 132 F CA -0.455 57.691 58.000 0.243 0.000 1.285 132 F CB 0.712 39.817 39.000 0.174 0.000 1.208 132 F HN 0.585 nan 8.300 nan 0.000 0.579 133 D N 0.234 120.038 120.400 -0.994 0.000 2.117 133 D HA -0.166 4.475 4.640 0.001 0.000 0.197 133 D C 2.279 178.422 176.300 -0.262 0.000 0.987 133 D CA 2.415 56.090 54.000 -0.542 0.000 0.829 133 D CB -0.966 39.488 40.800 -0.578 0.000 0.961 133 D HN 0.713 nan 8.370 nan 0.000 0.460 134 T N -1.582 112.858 114.554 -0.190 0.000 2.821 134 T HA -0.116 4.235 4.350 0.001 0.000 0.267 134 T C 1.998 176.818 174.700 0.201 0.000 1.046 134 T CA 1.758 63.924 62.100 0.109 0.000 1.139 134 T CB -0.915 68.130 68.868 0.294 0.000 0.871 134 T HN 0.029 nan 8.240 nan 0.000 0.454 135 T N 2.466 117.200 114.554 0.300 0.000 2.665 135 T HA -0.011 4.340 4.350 0.001 0.000 0.268 135 T C 2.453 177.315 174.700 0.270 0.000 1.035 135 T CA 1.465 63.785 62.100 0.367 0.000 1.151 135 T CB -0.887 68.279 68.868 0.496 0.000 0.862 135 T HN 0.618 nan 8.240 nan 0.000 0.438 136 A N 1.373 124.273 122.820 0.133 0.000 1.930 136 A HA 0.294 4.615 4.320 0.001 0.000 0.217 136 A C 2.678 180.211 177.584 -0.085 0.000 1.175 136 A CA 1.601 53.594 52.037 -0.073 0.000 0.627 136 A CB -1.068 17.895 19.000 -0.061 0.000 0.815 136 A HN 0.518 nan 8.150 nan 0.000 0.443 137 A N -1.028 121.752 122.820 -0.068 0.000 1.902 137 A HA -0.203 4.117 4.320 0.001 0.000 0.217 137 A C 2.069 179.540 177.584 -0.189 0.000 1.181 137 A CA 1.611 53.563 52.037 -0.141 0.000 0.623 137 A CB -0.897 17.995 19.000 -0.180 0.000 0.818 137 A HN 0.654 nan 8.150 nan 0.000 0.443 138 H N -0.883 118.188 119.070 0.001 0.000 2.389 138 H HA -0.045 4.512 4.556 0.001 0.000 0.299 138 H C 2.341 177.669 175.328 0.001 0.000 1.081 138 H CA 1.568 57.628 56.048 0.021 0.000 1.345 138 H CB -0.322 29.448 29.762 0.013 0.000 1.393 138 H HN 0.291 nan 8.280 nan 0.000 0.520 139 V N 1.279 121.187 119.914 -0.009 0.000 2.255 139 V HA -0.245 3.876 4.120 0.001 0.000 0.247 139 V C 2.206 178.239 176.094 -0.102 0.000 1.051 139 V CA 1.931 64.069 62.300 -0.270 0.000 1.018 139 V CB -0.361 31.161 31.823 -0.502 0.000 0.641 139 V HN 0.423 nan 8.190 nan 0.000 0.445 140 E N -0.283 119.862 120.200 -0.093 0.000 2.106 140 E HA -0.152 4.199 4.350 0.001 0.000 0.192 140 E C 2.181 178.764 176.600 -0.029 0.000 0.984 140 E CA 0.975 57.341 56.400 -0.058 0.000 0.806 140 E CB -0.167 29.489 29.700 -0.074 0.000 0.750 140 E HN 0.504 nan 8.360 nan 0.000 0.458 141 L N 1.094 122.298 121.223 -0.033 0.000 2.201 141 L HA -0.121 4.219 4.340 0.001 0.000 0.212 141 L C 1.468 178.357 176.870 0.031 0.000 1.105 141 L CA 0.604 55.436 54.840 -0.013 0.000 0.775 141 L CB -0.149 41.890 42.059 -0.034 0.000 0.913 141 L HN 0.111 nan 8.230 nan 0.000 0.440 142 N N 0.382 119.116 118.700 0.057 0.000 2.322 142 N HA 0.064 4.805 4.740 0.001 0.000 0.216 142 N C 1.101 176.656 175.510 0.075 0.000 1.144 142 N CA 0.821 53.922 53.050 0.086 0.000 0.830 142 N CB 0.715 39.286 38.487 0.139 0.000 1.034 142 N HN 0.369 nan 8.380 nan 0.000 0.484 143 G N 0.560 109.388 108.800 0.046 0.000 2.179 143 G HA2 -0.291 3.670 3.960 0.001 0.000 0.257 143 G HA3 -0.291 3.670 3.960 0.001 0.000 0.257 143 G C 0.269 175.199 174.900 0.049 0.000 1.010 143 G CA 0.277 45.400 45.100 0.039 0.000 0.736 143 G HN 0.407 nan 8.290 nan 0.000 0.513 144 C N -0.749 118.588 119.300 0.063 0.000 2.423 144 C HA 0.800 5.261 4.460 0.001 0.000 0.378 144 C C 0.701 175.710 174.990 0.032 0.000 1.244 144 C CA -0.944 58.128 59.018 0.089 0.000 1.978 144 C CB 1.672 29.556 27.740 0.240 0.000 2.252 144 C HN 0.479 nan 8.230 nan 0.000 0.526 145 K N 0.737 121.155 120.400 0.030 0.000 2.159 145 K HA 0.632 4.952 4.320 0.001 0.000 0.266 145 K C -0.657 175.912 176.600 -0.050 0.000 0.975 145 K CA 0.033 56.305 56.287 -0.024 0.000 0.865 145 K CB 1.468 33.950 32.500 -0.030 0.000 1.087 145 K HN 0.793 nan 8.250 nan 0.000 0.446 146 A N 4.400 127.134 122.820 -0.144 0.000 2.253 146 A HA 0.448 4.768 4.320 0.001 0.000 0.316 146 A C -0.467 177.042 177.584 -0.124 0.000 1.327 146 A CA -0.609 51.241 52.037 -0.312 0.000 0.917 146 A CB -0.146 18.476 19.000 -0.629 0.000 1.162 146 A HN 0.700 nan 8.150 nan 0.000 0.535 147 I N 2.943 123.545 120.570 0.053 0.000 2.377 147 I HA 0.247 4.418 4.170 0.001 0.000 0.293 147 I C -0.497 175.672 176.117 0.087 0.000 0.987 147 I CA -0.626 60.702 61.300 0.046 0.000 1.185 147 I CB 1.652 39.665 38.000 0.021 0.000 1.341 147 I HN 0.539 nan 8.210 nan 0.000 0.455 148 N N 7.490 126.145 118.700 -0.075 0.000 2.424 148 N HA 0.435 5.175 4.740 0.001 0.000 0.271 148 N C -0.322 175.100 175.510 -0.147 0.000 0.985 148 N CA -0.337 52.565 53.050 -0.248 0.000 0.921 148 N CB 2.006 40.017 38.487 -0.793 0.000 1.149 148 N HN 0.555 nan 8.380 nan 0.000 0.492 149 I N -0.657 119.863 120.570 -0.084 0.000 3.061 149 I HA 0.316 4.486 4.170 0.001 0.000 0.341 149 I C 0.106 176.230 176.117 0.012 0.000 1.457 149 I CA -0.740 60.571 61.300 0.018 0.000 0.921 149 I CB 0.764 38.823 38.000 0.099 0.000 1.845 149 I HN 0.012 nan 8.210 nan 0.000 0.535 150 V N 1.653 121.564 119.914 -0.004 0.000 2.843 150 V HA 0.109 4.229 4.120 0.001 0.000 0.305 150 V C 1.183 177.287 176.094 0.016 0.000 1.065 150 V CA 0.605 62.892 62.300 -0.022 0.000 1.116 150 V CB 1.418 33.259 31.823 0.029 0.000 0.968 150 V HN 0.711 nan 8.190 nan 0.000 0.487 151 T N 4.153 118.699 114.554 -0.014 0.000 2.934 151 T HA -0.028 4.322 4.350 0.001 0.000 0.321 151 T C 1.276 175.956 174.700 -0.033 0.000 1.080 151 T CA 0.793 62.897 62.100 0.007 0.000 1.132 151 T CB 0.313 69.181 68.868 0.000 0.000 1.039 151 T HN 0.938 nan 8.240 nan 0.000 0.543 152 E N 2.920 123.165 120.200 0.076 0.000 2.347 152 E HA -0.101 4.250 4.350 0.001 0.000 0.196 152 E C 1.790 178.426 176.600 0.060 0.000 1.008 152 E CA 0.617 57.126 56.400 0.182 0.000 0.852 152 E CB 0.003 29.838 29.700 0.224 0.000 0.783 152 E HN 0.714 nan 8.360 nan 0.000 0.505 153 K N 1.161 121.552 120.400 -0.015 0.000 2.160 153 K HA -0.134 4.187 4.320 0.001 0.000 0.206 153 K C 2.252 178.769 176.600 -0.139 0.000 1.047 153 K CA 1.268 57.528 56.287 -0.045 0.000 0.930 153 K CB -0.239 32.235 32.500 -0.043 0.000 0.720 153 K HN 0.179 nan 8.250 nan 0.000 0.450 154 A N 0.747 123.380 122.820 -0.312 0.000 1.978 154 A HA -0.139 4.182 4.320 0.001 0.000 0.220 154 A C 1.597 178.924 177.584 -0.429 0.000 1.170 154 A CA 1.280 53.037 52.037 -0.467 0.000 0.636 154 A CB -0.555 18.020 19.000 -0.709 0.000 0.810 154 A HN 0.230 nan 8.150 nan 0.000 0.448 155 F N -0.061 119.903 119.950 0.024 0.000 2.811 155 F HA 0.131 4.658 4.527 0.001 0.000 0.301 155 F C 0.668 176.487 175.800 0.032 0.000 1.151 155 F CA -0.291 57.727 58.000 0.030 0.000 1.412 155 F CB -0.092 38.926 39.000 0.030 0.000 1.113 155 F HN 0.092 nan 8.300 nan 0.000 0.579 156 D N -0.224 120.255 120.400 0.131 0.000 2.522 156 D HA 0.127 4.768 4.640 0.001 0.000 0.218 156 D C 1.279 177.628 176.300 0.082 0.000 1.149 156 D CA 0.192 54.252 54.000 0.101 0.000 0.981 156 D CB 0.560 41.404 40.800 0.074 0.000 1.041 156 D HN -0.100 nan 8.370 nan 0.000 0.518 157 S N 2.212 117.982 115.700 0.117 0.000 2.369 157 S HA -0.235 4.236 4.470 0.001 0.000 0.225 157 S C 1.481 176.158 174.600 0.128 0.000 1.043 157 S CA 1.401 59.681 58.200 0.134 0.000 1.074 157 S CB 0.033 63.348 63.200 0.192 0.000 0.962 157 S HN 0.599 nan 8.310 nan 0.000 0.433 158 E N 0.003 120.276 120.200 0.122 0.000 2.358 158 E HA 0.031 4.382 4.350 0.001 0.000 0.195 158 E C 0.014 176.715 176.600 0.167 0.000 1.010 158 E CA 0.333 56.810 56.400 0.129 0.000 0.856 158 E CB 0.117 29.858 29.700 0.069 0.000 0.795 158 E HN 0.298 nan 8.360 nan 0.000 0.504 159 T N 1.096 115.730 114.554 0.132 0.000 2.749 159 T HA 0.060 4.411 4.350 0.001 0.000 0.295 159 T C -0.488 174.297 174.700 0.141 0.000 0.936 159 T CA -0.343 61.841 62.100 0.141 0.000 1.060 159 T CB 0.228 69.150 68.868 0.090 0.000 0.904 159 T HN 0.052 nan 8.240 nan 0.000 0.500 160 Y N 3.172 123.532 120.300 0.102 0.000 2.597 160 Y HA 0.278 4.828 4.550 0.001 0.000 0.336 160 Y C 0.295 176.161 175.900 -0.058 0.000 1.216 160 Y CA 0.096 58.200 58.100 0.006 0.000 1.463 160 Y CB 0.516 38.998 38.460 0.037 0.000 1.303 160 Y HN 0.709 nan 8.280 nan 0.000 0.576 161 D N 3.377 123.266 120.400 -0.851 0.000 2.837 161 D HA 0.184 4.825 4.640 0.001 0.000 0.220 161 D C -0.365 175.357 176.300 -0.963 0.000 1.236 161 D CA -0.504 53.150 54.000 -0.576 0.000 0.838 161 D CB 1.348 41.990 40.800 -0.263 0.000 1.647 161 D HN 0.526 nan 8.370 nan 0.000 0.486 162 D N 1.841 121.817 120.400 -0.707 0.000 2.224 162 D HA 0.006 4.646 4.640 0.001 0.000 0.205 162 D C -0.015 175.628 176.300 -1.095 0.000 0.965 162 D CA 1.018 54.421 54.000 -0.996 0.000 0.852 162 D CB 0.185 40.240 40.800 -1.242 0.000 0.947 162 D HN 0.478 nan 8.370 nan 0.000 0.494 163 W N 0.675 121.840 121.300 -0.225 0.000 1.683 163 W HA 0.343 5.004 4.660 0.001 0.000 0.295 163 W C 0.820 177.226 176.519 -0.187 0.000 0.865 163 W CA -0.674 56.564 57.345 -0.178 0.000 2.079 163 W CB 0.276 29.683 29.460 -0.087 0.000 2.263 163 W HN -0.338 nan 8.180 nan 0.000 0.427 164 K N 0.316 120.645 120.400 -0.118 0.000 2.555 164 K HA 0.037 4.357 4.320 0.001 0.000 0.193 164 K C 1.720 178.248 176.600 -0.121 0.000 1.032 164 K CA 0.738 56.935 56.287 -0.150 0.000 1.004 164 K CB 0.213 32.563 32.500 -0.250 0.000 0.804 164 K HN 0.493 nan 8.250 nan 0.000 0.496 165 G N 0.421 109.194 108.800 -0.045 0.000 3.126 165 G HA2 -0.047 3.914 3.960 0.001 0.000 0.224 165 G HA3 -0.047 3.914 3.960 0.001 0.000 0.224 165 G C -0.154 174.723 174.900 -0.039 0.000 1.142 165 G CA -0.322 44.745 45.100 -0.055 0.000 0.759 165 G HN 0.109 nan 8.290 nan 0.000 0.550 166 D N 0.328 120.742 120.400 0.023 0.000 2.449 166 D HA 0.162 4.803 4.640 0.001 0.000 0.236 166 D C 0.029 176.364 176.300 0.058 0.000 1.149 166 D CA 0.054 54.095 54.000 0.067 0.000 0.878 166 D CB 0.589 41.439 40.800 0.083 0.000 1.198 166 D HN -0.001 nan 8.370 nan 0.000 0.446 167 F N 0.959 120.904 119.950 -0.008 0.000 2.429 167 F HA 0.045 4.572 4.527 0.001 0.000 0.348 167 F C 1.300 177.103 175.800 0.004 0.000 1.109 167 F CA -0.179 57.822 58.000 0.002 0.000 1.232 167 F CB 0.523 39.517 39.000 -0.009 0.000 1.157 167 F HN 0.125 nan 8.300 nan 0.000 0.564 168 D N 4.147 124.666 120.400 0.198 0.000 2.344 168 D HA 0.041 4.681 4.640 0.001 0.000 0.253 168 D C 1.212 177.593 176.300 0.134 0.000 1.255 168 D CA 0.001 54.082 54.000 0.134 0.000 0.894 168 D CB 0.456 41.322 40.800 0.110 0.000 1.067 168 D HN 0.293 nan 8.370 nan 0.000 0.492 169 I N 3.612 124.238 120.570 0.093 0.000 2.335 169 I HA -0.237 3.934 4.170 0.001 0.000 0.251 169 I C 1.945 178.086 176.117 0.040 0.000 1.129 169 I CA 0.916 62.245 61.300 0.049 0.000 1.402 169 I CB -0.483 37.525 38.000 0.013 0.000 1.069 169 I HN 0.299 nan 8.210 nan 0.000 0.424 170 K N 1.362 121.790 120.400 0.046 0.000 2.025 170 K HA -0.088 4.232 4.320 0.001 0.000 0.207 170 K C 2.023 178.648 176.600 0.043 0.000 1.049 170 K CA 1.197 57.507 56.287 0.038 0.000 0.933 170 K CB -0.281 32.242 32.500 0.038 0.000 0.714 170 K HN 0.219 nan 8.250 nan 0.000 0.438 171 K N 0.237 120.674 120.400 0.061 0.000 2.147 171 K HA -0.129 4.192 4.320 0.001 0.000 0.205 171 K C 1.933 178.574 176.600 0.068 0.000 1.049 171 K CA 0.933 57.260 56.287 0.067 0.000 0.936 171 K CB -0.252 32.297 32.500 0.082 0.000 0.722 171 K HN 0.012 nan 8.250 nan 0.000 0.446 172 L N 2.026 123.292 121.223 0.072 0.000 1.994 172 L HA -0.186 4.155 4.340 0.001 0.000 0.208 172 L C 1.845 178.717 176.870 0.002 0.000 1.071 172 L CA 1.880 56.750 54.840 0.050 0.000 0.745 172 L CB -0.312 41.758 42.059 0.020 0.000 0.892 172 L HN -0.037 nan 8.230 nan 0.000 0.431 173 K N -0.438 119.960 120.400 -0.004 0.000 2.063 173 K HA -0.196 4.125 4.320 0.001 0.000 0.208 173 K C 1.979 178.568 176.600 -0.018 0.000 1.048 173 K CA 1.937 58.212 56.287 -0.020 0.000 0.928 173 K CB -0.215 32.286 32.500 0.002 0.000 0.713 173 K HN 0.475 nan 8.250 nan 0.000 0.442 174 E N 0.532 120.735 120.200 0.005 0.000 2.077 174 E HA -0.154 4.196 4.350 0.001 0.000 0.193 174 E C 1.862 178.470 176.600 0.014 0.000 0.989 174 E CA 0.868 57.272 56.400 0.006 0.000 0.800 174 E CB -0.053 29.657 29.700 0.017 0.000 0.746 174 E HN 0.297 nan 8.360 nan 0.000 0.452 175 N N 0.658 119.387 118.700 0.049 0.000 2.244 175 N HA -0.107 4.633 4.740 0.001 0.000 0.183 175 N C 1.961 177.535 175.510 0.106 0.000 1.016 175 N CA 0.832 53.962 53.050 0.134 0.000 0.866 175 N CB 0.004 38.581 38.487 0.150 0.000 0.980 175 N HN 0.179 nan 8.380 nan 0.000 0.430 176 I N 1.236 121.797 120.570 -0.015 0.000 2.179 176 I HA -0.220 3.951 4.170 0.001 0.000 0.242 176 I C 2.461 178.525 176.117 -0.089 0.000 1.088 176 I CA 0.818 62.052 61.300 -0.110 0.000 1.357 176 I CB -0.289 37.525 38.000 -0.310 0.000 1.051 176 I HN 0.050 nan 8.210 nan 0.000 0.409 177 A N 0.033 122.810 122.820 -0.073 0.000 1.902 177 A HA -0.273 4.048 4.320 0.001 0.000 0.217 177 A C 2.327 179.879 177.584 -0.054 0.000 1.181 177 A CA 1.788 53.794 52.037 -0.053 0.000 0.623 177 A CB -0.672 18.306 19.000 -0.036 0.000 0.818 177 A HN 0.521 nan 8.150 nan 0.000 0.443 178 Q N -1.366 118.391 119.800 -0.071 0.000 2.046 178 Q HA -0.199 4.142 4.340 0.001 0.000 0.200 178 Q C 1.863 177.725 176.000 -0.231 0.000 0.975 178 Q CA 1.531 57.233 55.803 -0.168 0.000 0.836 178 Q CB -0.207 28.386 28.738 -0.242 0.000 0.896 178 Q HN 0.821 nan 8.270 nan 0.000 0.428 179 H N -1.069 117.978 119.070 -0.037 0.000 2.497 179 H HA 0.211 4.768 4.556 0.001 0.000 0.282 179 H C 0.611 175.914 175.328 -0.042 0.000 1.003 179 H CA 0.992 57.020 56.048 -0.034 0.000 1.307 179 H CB 0.732 30.474 29.762 -0.032 0.000 1.437 179 H HN 0.428 nan 8.280 nan 0.000 0.544 180 G N -0.099 108.731 108.800 0.050 0.000 2.895 180 G HA2 -0.082 3.879 3.960 0.001 0.000 0.686 180 G HA3 -0.082 3.879 3.960 0.001 0.000 0.686 180 G C 0.847 175.741 174.900 -0.010 0.000 1.108 180 G CA -0.007 45.096 45.100 0.005 0.000 0.761 180 G HN 0.428 nan 8.290 nan 0.000 0.611 181 A N 0.957 123.754 122.820 -0.038 0.000 2.024 181 A HA 0.013 4.334 4.320 0.001 0.000 0.220 181 A C 2.013 179.585 177.584 -0.020 0.000 1.164 181 A CA 2.472 54.486 52.037 -0.038 0.000 0.643 181 A CB -0.255 18.758 19.000 0.021 0.000 0.806 181 A HN 0.752 nan 8.150 nan 0.000 0.451 182 D N 0.001 120.394 120.400 -0.011 0.000 2.264 182 D HA -0.076 4.565 4.640 0.001 0.000 0.208 182 D C 1.241 177.523 176.300 -0.029 0.000 0.966 182 D CA 0.761 54.750 54.000 -0.019 0.000 0.864 182 D CB -0.198 40.594 40.800 -0.013 0.000 0.933 182 D HN 0.396 nan 8.370 nan 0.000 0.499 183 N N 0.161 118.848 118.700 -0.020 0.000 2.353 183 N HA 0.004 4.745 4.740 0.001 0.000 0.185 183 N C 0.013 175.472 175.510 -0.085 0.000 1.098 183 N CA 0.049 53.081 53.050 -0.029 0.000 0.872 183 N CB 0.973 39.474 38.487 0.023 0.000 0.970 183 N HN 0.128 nan 8.380 nan 0.000 0.467 184 I N 2.112 122.624 120.570 -0.096 0.000 2.294 184 I HA 0.069 4.240 4.170 0.001 0.000 0.295 184 I C 1.690 177.673 176.117 -0.224 0.000 1.098 184 I CA -0.162 61.045 61.300 -0.156 0.000 1.277 184 I CB 0.114 38.045 38.000 -0.115 0.000 1.434 184 I HN -0.247 nan 8.210 nan 0.000 0.498 185 V N 5.376 125.053 119.914 -0.396 0.000 2.343 185 V HA -0.066 4.055 4.120 0.001 0.000 0.247 185 V C 1.102 176.899 176.094 -0.495 0.000 1.051 185 V CA 1.801 63.787 62.300 -0.524 0.000 1.036 185 V CB -0.569 30.709 31.823 -0.908 0.000 0.654 185 V HN 0.909 nan 8.190 nan 0.000 0.451 186 A N -1.503 120.962 122.820 -0.592 0.000 2.567 186 A HA 0.676 4.997 4.320 0.001 0.000 0.291 186 A C -1.375 176.163 177.584 -0.077 0.000 1.048 186 A CA -0.606 51.304 52.037 -0.210 0.000 0.661 186 A CB 0.881 19.820 19.000 -0.103 0.000 1.288 186 A HN 0.082 nan 8.150 nan 0.000 0.424 187 I N 0.909 121.508 120.570 0.049 0.000 2.392 187 I HA 0.462 4.633 4.170 0.001 0.000 0.295 187 I C -0.623 175.611 176.117 0.194 0.000 0.985 187 I CA -0.868 60.502 61.300 0.116 0.000 1.221 187 I CB 1.885 39.912 38.000 0.045 0.000 1.366 187 I HN 0.331 nan 8.210 nan 0.000 0.467 188 V N 5.235 125.288 119.914 0.232 0.000 2.328 188 V HA 0.242 4.363 4.120 0.001 0.000 0.278 188 V C 0.008 176.255 176.094 0.256 0.000 1.021 188 V CA -0.440 61.992 62.300 0.220 0.000 0.838 188 V CB 1.164 33.079 31.823 0.153 0.000 0.999 188 V HN 0.716 nan 8.190 nan 0.000 0.447 189 S N 3.462 119.334 115.700 0.287 0.000 2.404 189 S HA 0.295 4.766 4.470 0.001 0.000 0.309 189 S C 0.433 175.129 174.600 0.160 0.000 1.076 189 S CA -0.384 58.016 58.200 0.333 0.000 1.095 189 S CB 0.560 63.947 63.200 0.311 0.000 0.972 189 S HN 0.780 nan 8.310 nan 0.000 0.484 190 T N 3.779 118.378 114.554 0.076 0.000 2.723 190 T HA 0.395 4.745 4.350 0.001 0.000 0.297 190 T C 0.202 174.948 174.700 0.076 0.000 0.925 190 T CA -0.559 61.588 62.100 0.078 0.000 1.030 190 T CB 0.120 69.033 68.868 0.075 0.000 0.905 190 T HN 0.493 nan 8.240 nan 0.000 0.502 191 V N 1.453 121.428 119.914 0.102 0.000 2.540 191 V HA 0.728 4.848 4.120 0.001 0.000 0.302 191 V C 0.552 176.731 176.094 0.143 0.000 1.035 191 V CA -1.218 61.157 62.300 0.126 0.000 0.873 191 V CB 0.977 32.884 31.823 0.141 0.000 0.992 191 V HN 0.882 nan 8.190 nan 0.000 0.428 192 T N 0.739 115.378 114.554 0.142 0.000 2.734 192 T HA 0.079 4.429 4.350 0.001 0.000 0.314 192 T C 0.508 175.260 174.700 0.088 0.000 1.057 192 T CA 0.006 62.192 62.100 0.143 0.000 1.047 192 T CB 0.758 69.742 68.868 0.193 0.000 0.991 192 T HN 1.175 nan 8.240 nan 0.000 0.540 193 C N 3.259 122.595 119.300 0.060 0.000 2.459 193 C HA 0.242 4.703 4.460 0.001 0.000 0.358 193 C C 1.909 176.917 174.990 0.030 0.000 1.162 193 C CA -0.479 58.555 59.018 0.027 0.000 1.559 193 C CB -2.406 25.318 27.740 -0.026 0.000 2.132 193 C HN 1.051 nan 8.230 nan 0.000 0.536 194 N N 2.784 121.530 118.700 0.076 0.000 2.013 194 N HA -0.128 4.612 4.740 0.001 0.000 0.195 194 N C 1.864 177.425 175.510 0.085 0.000 1.051 194 N CA 2.484 55.621 53.050 0.145 0.000 0.851 194 N CB 0.042 38.632 38.487 0.172 0.000 1.044 194 N HN 0.681 nan 8.380 nan 0.000 0.422 195 S N -0.510 115.163 115.700 -0.044 0.000 2.442 195 S HA -0.009 4.462 4.470 0.001 0.000 0.236 195 S C 1.619 175.908 174.600 -0.519 0.000 1.007 195 S CA 0.892 58.878 58.200 -0.357 0.000 0.965 195 S CB -0.371 62.289 63.200 -0.900 0.000 0.773 195 S HN 0.592 nan 8.310 nan 0.000 0.504 196 A N 0.358 122.934 122.820 -0.408 0.000 2.278 196 A HA 0.536 4.856 4.320 0.001 0.000 0.212 196 A C 1.460 178.740 177.584 -0.507 0.000 1.213 196 A CA 0.541 52.344 52.037 -0.390 0.000 0.840 196 A CB -0.514 18.313 19.000 -0.287 0.000 0.866 196 A HN 0.811 nan 8.150 nan 0.000 0.489 197 G N -2.476 105.927 108.800 -0.662 0.000 2.143 197 G HA2 0.265 4.225 3.960 0.001 0.000 0.175 197 G HA3 0.265 4.225 3.960 0.001 0.000 0.175 197 G C 1.167 175.942 174.900 -0.208 0.000 1.004 197 G CA 0.356 44.847 45.100 -1.015 0.000 0.671 197 G HN 1.994 nan 8.290 nan 0.000 0.512 198 G N -0.945 107.900 108.800 0.076 0.000 2.198 198 G HA2 -0.150 3.810 3.960 0.001 0.000 0.257 198 G HA3 -0.150 3.810 3.960 0.001 0.000 0.257 198 G C 0.161 175.118 174.900 0.096 0.000 1.042 198 G CA 0.788 46.068 45.100 0.300 0.000 0.791 198 G HN 1.035 nan 8.290 nan 0.000 0.502 199 Q N 0.280 120.044 119.800 -0.059 0.000 2.261 199 Q HA 0.384 4.724 4.340 0.001 0.000 0.252 199 Q C -2.089 173.867 176.000 -0.074 0.000 0.915 199 Q CA -1.825 53.877 55.803 -0.170 0.000 0.915 199 Q CB 1.824 30.426 28.738 -0.227 0.000 1.204 199 Q HN 0.351 nan 8.270 nan 0.000 0.421 200 P HA 0.091 nan 4.420 nan 0.000 0.272 200 P C -0.481 176.946 177.300 0.212 0.000 1.223 200 P CA -0.214 62.965 63.100 0.133 0.000 0.784 200 P CB 0.757 32.575 31.700 0.197 0.000 0.923 201 V N 1.957 121.986 119.914 0.191 0.000 2.398 201 V HA 0.211 4.332 4.120 0.001 0.000 0.286 201 V C 1.051 177.119 176.094 -0.044 0.000 1.026 201 V CA -0.385 61.974 62.300 0.099 0.000 0.868 201 V CB 1.063 32.935 31.823 0.082 0.000 0.982 201 V HN 0.730 nan 8.190 nan 0.000 0.443 202 S N 4.658 120.119 115.700 -0.398 0.000 2.600 202 S HA 0.235 4.706 4.470 0.001 0.000 0.265 202 S C 0.966 175.265 174.600 -0.502 0.000 1.325 202 S CA -0.287 57.299 58.200 -1.024 0.000 1.002 202 S CB 0.829 62.920 63.200 -1.848 0.000 0.921 202 S HN 0.645 nan 8.310 nan 0.000 0.554 203 M N 2.236 121.578 119.600 -0.430 0.000 2.132 203 M HA -0.069 4.412 4.480 0.001 0.000 0.263 203 M C 2.205 178.352 176.300 -0.255 0.000 1.065 203 M CA 2.242 57.410 55.300 -0.220 0.000 1.122 203 M CB -1.137 31.420 32.600 -0.071 0.000 1.365 203 M HN 0.932 nan 8.290 nan 0.000 0.411 204 S N -0.686 114.846 115.700 -0.280 0.000 2.406 204 S HA -0.126 4.345 4.470 0.001 0.000 0.228 204 S C 1.978 176.423 174.600 -0.260 0.000 1.020 204 S CA 1.341 59.394 58.200 -0.244 0.000 0.965 204 S CB -1.085 62.005 63.200 -0.183 0.000 0.798 204 S HN 0.697 nan 8.310 nan 0.000 0.488 205 N N 1.628 120.172 118.700 -0.260 0.000 2.106 205 N HA -0.027 4.713 4.740 0.001 0.000 0.188 205 N C 1.875 177.279 175.510 -0.177 0.000 1.029 205 N CA 1.428 54.375 53.050 -0.171 0.000 0.848 205 N CB -0.305 38.121 38.487 -0.101 0.000 1.007 205 N HN 0.429 nan 8.380 nan 0.000 0.423 206 L N 1.424 122.540 121.223 -0.179 0.000 1.990 206 L HA -0.217 4.124 4.340 0.001 0.000 0.213 206 L C 2.749 179.408 176.870 -0.351 0.000 1.072 206 L CA 1.526 56.264 54.840 -0.171 0.000 0.755 206 L CB -0.514 41.488 42.059 -0.095 0.000 0.889 206 L HN 0.250 nan 8.230 nan 0.000 0.432 207 K N 0.286 120.273 120.400 -0.688 0.000 2.063 207 K HA -0.272 4.049 4.320 0.001 0.000 0.208 207 K C 2.075 178.441 176.600 -0.389 0.000 1.048 207 K CA 1.935 57.613 56.287 -1.016 0.000 0.928 207 K CB -0.039 31.854 32.500 -1.011 0.000 0.713 207 K HN 0.272 nan 8.250 nan 0.000 0.442 208 E N -0.083 119.950 120.200 -0.279 0.000 2.072 208 E HA -0.151 4.200 4.350 0.001 0.000 0.191 208 E C 1.843 178.341 176.600 -0.170 0.000 0.985 208 E CA 1.251 57.545 56.400 -0.176 0.000 0.801 208 E CB 0.125 29.739 29.700 -0.144 0.000 0.750 208 E HN 0.144 nan 8.360 nan 0.000 0.452 209 V N 0.513 120.284 119.914 -0.239 0.000 2.287 209 V HA -0.268 3.853 4.120 0.001 0.000 0.248 209 V C 2.101 178.089 176.094 -0.176 0.000 1.053 209 V CA 2.091 64.194 62.300 -0.329 0.000 1.027 209 V CB -0.702 30.710 31.823 -0.685 0.000 0.646 209 V HN 0.424 nan 8.190 nan 0.000 0.447 210 Y N 1.066 121.241 120.300 -0.209 0.000 2.145 210 Y HA -0.229 4.322 4.550 0.001 0.000 0.286 210 Y C 2.557 178.415 175.900 -0.071 0.000 1.145 210 Y CA 2.086 60.126 58.100 -0.099 0.000 1.148 210 Y CB -0.262 38.220 38.460 0.037 0.000 0.981 210 Y HN 0.344 nan 8.280 nan 0.000 0.507 211 E N 0.015 120.199 120.200 -0.027 0.000 2.058 211 E HA -0.247 4.104 4.350 0.001 0.000 0.194 211 E C 2.230 178.749 176.600 -0.135 0.000 0.997 211 E CA 1.873 58.220 56.400 -0.088 0.000 0.801 211 E CB -0.317 29.358 29.700 -0.041 0.000 0.746 211 E HN 0.529 nan 8.360 nan 0.000 0.450 212 I N 0.788 121.298 120.570 -0.101 0.000 2.179 212 I HA -0.289 3.882 4.170 0.001 0.000 0.242 212 I C 2.521 178.641 176.117 0.005 0.000 1.088 212 I CA 0.961 62.242 61.300 -0.031 0.000 1.357 212 I CB -0.322 37.667 38.000 -0.018 0.000 1.051 212 I HN 0.113 nan 8.210 nan 0.000 0.409 213 A N 0.613 123.366 122.820 -0.112 0.000 1.908 213 A HA -0.213 4.108 4.320 0.001 0.000 0.218 213 A C 2.267 179.747 177.584 -0.174 0.000 1.181 213 A CA 1.580 53.543 52.037 -0.124 0.000 0.627 213 A CB -0.353 18.527 19.000 -0.200 0.000 0.818 213 A HN 0.191 nan 8.150 nan 0.000 0.445 214 K N -0.095 120.105 120.400 -0.333 0.000 2.097 214 K HA -0.115 4.206 4.320 0.001 0.000 0.205 214 K C 2.098 178.577 176.600 -0.201 0.000 1.050 214 K CA 1.438 57.541 56.287 -0.306 0.000 0.938 214 K CB -0.549 31.709 32.500 -0.402 0.000 0.718 214 K HN 0.709 nan 8.250 nan 0.000 0.442 215 Q N -0.292 119.373 119.800 -0.225 0.000 2.096 215 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 215 Q C 1.246 177.003 176.000 -0.404 0.000 0.982 215 Q CA 1.610 57.220 55.803 -0.323 0.000 0.850 215 Q CB -0.194 28.259 28.738 -0.475 0.000 0.901 215 Q HN 0.578 nan 8.270 nan 0.000 0.422 216 H N -1.784 117.235 119.070 -0.084 0.000 2.526 216 H HA 0.218 4.775 4.556 0.001 0.000 0.274 216 H C 0.823 176.117 175.328 -0.057 0.000 0.999 216 H CA 0.324 56.335 56.048 -0.063 0.000 1.157 216 H CB 0.630 30.356 29.762 -0.060 0.000 1.407 216 H HN 0.420 nan 8.280 nan 0.000 0.568 217 G N 1.186 109.985 108.800 -0.001 0.000 2.225 217 G HA2 -0.309 3.652 3.960 0.001 0.000 0.267 217 G HA3 -0.309 3.652 3.960 0.001 0.000 0.267 217 G C 0.050 174.971 174.900 0.035 0.000 1.024 217 G CA 0.218 45.322 45.100 0.006 0.000 0.784 217 G HN 0.373 nan 8.290 nan 0.000 0.507 218 I N -0.233 120.347 120.570 0.016 0.000 2.396 218 I HA 0.455 4.626 4.170 0.001 0.000 0.292 218 I C 0.673 176.815 176.117 0.042 0.000 0.999 218 I CA -1.015 60.302 61.300 0.029 0.000 1.310 218 I CB 0.906 38.903 38.000 -0.006 0.000 1.404 218 I HN 0.084 nan 8.210 nan 0.000 0.496 219 F N 6.657 126.582 119.950 -0.042 0.000 2.456 219 F HA 0.350 4.877 4.527 0.001 0.000 0.358 219 F C -0.164 175.639 175.800 0.005 0.000 1.095 219 F CA -0.076 57.914 58.000 -0.016 0.000 1.216 219 F CB 0.750 39.739 39.000 -0.018 0.000 1.125 219 F HN 0.022 nan 8.300 nan 0.000 0.549 220 V N 6.809 126.548 119.914 -0.291 0.000 2.417 220 V HA 0.408 4.529 4.120 0.001 0.000 0.291 220 V C -0.691 175.372 176.094 -0.052 0.000 1.024 220 V CA -0.837 61.433 62.300 -0.051 0.000 0.861 220 V CB 1.549 33.418 31.823 0.077 0.000 0.985 220 V HN 0.524 nan 8.190 nan 0.000 0.436 221 V N 5.831 125.835 119.914 0.151 0.000 2.417 221 V HA 0.436 4.556 4.120 0.001 0.000 0.291 221 V C -0.031 176.180 176.094 0.195 0.000 1.024 221 V CA -0.520 61.920 62.300 0.234 0.000 0.861 221 V CB 1.602 33.661 31.823 0.393 0.000 0.985 221 V HN 0.906 nan 8.190 nan 0.000 0.436 222 M N 4.772 124.465 119.600 0.155 0.000 2.094 222 M HA 0.309 4.789 4.480 0.001 0.000 0.348 222 M C -0.129 176.250 176.300 0.132 0.000 1.267 222 M CA -0.145 55.221 55.300 0.110 0.000 1.125 222 M CB 0.423 33.030 32.600 0.012 0.000 1.527 222 M HN 0.684 nan 8.290 nan 0.000 0.447 223 D N 2.744 123.233 120.400 0.148 0.000 2.338 223 D HA 0.098 4.739 4.640 0.001 0.000 0.255 223 D C -0.545 175.811 176.300 0.093 0.000 1.237 223 D CA 0.270 54.347 54.000 0.129 0.000 0.883 223 D CB 0.705 41.603 40.800 0.164 0.000 1.087 223 D HN 0.633 nan 8.370 nan 0.000 0.485 224 S N 2.738 118.470 115.700 0.054 0.000 2.561 224 S HA 0.249 4.720 4.470 0.001 0.000 0.245 224 S C 1.596 176.280 174.600 0.139 0.000 1.001 224 S CA -0.088 58.165 58.200 0.089 0.000 1.002 224 S CB 0.795 63.927 63.200 -0.112 0.000 0.805 224 S HN 0.596 nan 8.310 nan 0.000 0.458 225 A N 2.449 125.308 122.820 0.066 0.000 1.917 225 A HA -0.078 4.242 4.320 0.001 0.000 0.219 225 A C 1.659 179.326 177.584 0.139 0.000 1.182 225 A CA 1.239 53.303 52.037 0.045 0.000 0.633 225 A CB -0.114 18.823 19.000 -0.105 0.000 0.819 225 A HN 0.456 nan 8.150 nan 0.000 0.448 226 R N -0.598 119.986 120.500 0.140 0.000 2.903 226 R HA 0.238 4.578 4.340 0.001 0.000 0.363 226 R C 0.633 177.059 176.300 0.211 0.000 1.161 226 R CA -0.089 56.080 56.100 0.116 0.000 1.109 226 R CB 0.057 30.354 30.300 -0.005 0.000 1.399 226 R HN 0.657 nan 8.270 nan 0.000 0.587 227 F N -1.884 118.137 119.950 0.119 0.000 2.234 227 F HA -0.074 4.454 4.527 0.001 0.000 0.299 227 F C 1.553 177.463 175.800 0.183 0.000 1.087 227 F CA 0.223 58.335 58.000 0.187 0.000 1.340 227 F CB -0.680 38.502 39.000 0.303 0.000 1.031 227 F HN -0.055 nan 8.300 nan 0.000 0.500 228 C N 1.144 120.118 119.300 -0.545 0.000 2.457 228 C HA -0.056 4.404 4.460 0.001 0.000 0.278 228 C C 2.652 177.581 174.990 -0.102 0.000 1.309 228 C CA 0.954 59.719 59.018 -0.421 0.000 1.735 228 C CB -1.033 26.414 27.740 -0.488 0.000 1.992 228 C HN 0.553 nan 8.230 nan 0.000 0.493 229 E N 1.015 121.185 120.200 -0.049 0.000 2.110 229 E HA -0.219 4.131 4.350 0.001 0.000 0.193 229 E C 1.718 178.406 176.600 0.147 0.000 0.988 229 E CA 1.224 57.617 56.400 -0.012 0.000 0.804 229 E CB -0.284 29.443 29.700 0.044 0.000 0.745 229 E HN 0.631 nan 8.360 nan 0.000 0.458 230 N N 0.551 119.385 118.700 0.223 0.000 2.084 230 N HA -0.147 4.594 4.740 0.001 0.000 0.190 230 N C 1.713 177.382 175.510 0.265 0.000 1.030 230 N CA 1.492 54.729 53.050 0.312 0.000 0.849 230 N CB -0.067 38.569 38.487 0.248 0.000 1.012 230 N HN 0.137 nan 8.380 nan 0.000 0.423 231 A N -0.688 122.231 122.820 0.165 0.000 1.933 231 A HA -0.168 4.153 4.320 0.001 0.000 0.218 231 A C 2.094 179.738 177.584 0.100 0.000 1.175 231 A CA 1.244 53.346 52.037 0.108 0.000 0.628 231 A CB -1.125 17.924 19.000 0.082 0.000 0.814 231 A HN 0.610 nan 8.150 nan 0.000 0.444 232 Y N -0.631 119.648 120.300 -0.034 0.000 2.145 232 Y HA -0.217 4.334 4.550 0.001 0.000 0.286 232 Y C 1.879 177.767 175.900 -0.020 0.000 1.145 232 Y CA 1.937 59.977 58.100 -0.100 0.000 1.148 232 Y CB -0.413 37.876 38.460 -0.284 0.000 0.981 232 Y HN 0.267 nan 8.280 nan 0.000 0.507 233 F N -0.019 120.011 119.950 0.134 0.000 2.171 233 F HA -0.192 4.336 4.527 0.001 0.000 0.300 233 F C 2.287 178.165 175.800 0.131 0.000 1.090 233 F CA 1.321 59.369 58.000 0.081 0.000 1.293 233 F CB -0.839 38.261 39.000 0.167 0.000 1.013 233 F HN 0.061 nan 8.300 nan 0.000 0.486 234 I N -0.061 120.743 120.570 0.391 0.000 2.226 234 I HA -0.330 3.840 4.170 0.001 0.000 0.245 234 I C 2.511 178.774 176.117 0.244 0.000 1.100 234 I CA 1.505 63.030 61.300 0.375 0.000 1.374 234 I CB -0.452 37.596 38.000 0.079 0.000 1.057 234 I HN 0.062 nan 8.210 nan 0.000 0.413 235 K N 1.372 121.813 120.400 0.069 0.000 2.097 235 K HA -0.160 4.160 4.320 0.001 0.000 0.206 235 K C 2.115 178.699 176.600 -0.027 0.000 1.049 235 K CA 1.428 57.737 56.287 0.036 0.000 0.933 235 K CB -0.062 32.407 32.500 -0.053 0.000 0.717 235 K HN 0.292 nan 8.250 nan 0.000 0.442 236 A N 0.999 123.727 122.820 -0.154 0.000 1.929 236 A HA -0.041 4.279 4.320 0.001 0.000 0.216 236 A C 1.835 179.427 177.584 0.013 0.000 1.176 236 A CA 1.105 53.058 52.037 -0.140 0.000 0.628 236 A CB -0.137 18.729 19.000 -0.224 0.000 0.816 236 A HN 0.325 nan 8.150 nan 0.000 0.444 237 R N -1.278 119.271 120.500 0.082 0.000 2.373 237 R HA 0.109 4.450 4.340 0.001 0.000 0.221 237 R C -0.516 175.943 176.300 0.265 0.000 0.893 237 R CA 0.124 56.257 56.100 0.055 0.000 1.049 237 R CB 0.453 30.568 30.300 -0.309 0.000 1.119 237 R HN 0.308 nan 8.270 nan 0.000 0.535 238 D N 1.501 122.146 120.400 0.409 0.000 2.373 238 D HA 0.137 4.778 4.640 0.001 0.000 0.227 238 D C -1.709 174.750 176.300 0.265 0.000 1.091 238 D CA -2.550 51.711 54.000 0.434 0.000 0.840 238 D CB 1.797 42.898 40.800 0.502 0.000 1.060 238 D HN -0.173 nan 8.370 nan 0.000 0.502 239 P HA -0.198 nan 4.420 nan 0.000 0.217 239 P C 1.240 178.569 177.300 0.048 0.000 1.148 239 P CA 1.043 64.201 63.100 0.097 0.000 0.828 239 P CB 0.338 32.083 31.700 0.074 0.000 0.783 240 K N -0.957 119.454 120.400 0.018 0.000 2.147 240 K HA -0.160 4.161 4.320 0.001 0.000 0.205 240 K C 0.995 177.395 176.600 -0.334 0.000 1.049 240 K CA 1.245 57.425 56.287 -0.179 0.000 0.936 240 K CB -0.231 32.115 32.500 -0.257 0.000 0.722 240 K HN 0.154 nan 8.250 nan 0.000 0.446 241 Y N 0.320 120.657 120.300 0.063 0.000 2.555 241 Y HA 0.166 4.717 4.550 0.001 0.000 0.259 241 Y C 1.605 177.527 175.900 0.037 0.000 1.179 241 Y CA -0.261 57.871 58.100 0.055 0.000 1.230 241 Y CB 0.457 38.960 38.460 0.072 0.000 1.146 241 Y HN -0.058 nan 8.280 nan 0.000 0.526 242 K N 0.869 121.335 120.400 0.110 0.000 2.074 242 K HA -0.194 4.127 4.320 0.001 0.000 0.209 242 K C 0.482 177.111 176.600 0.049 0.000 1.048 242 K CA 1.654 57.982 56.287 0.068 0.000 0.926 242 K CB 0.017 32.540 32.500 0.039 0.000 0.713 242 K HN 0.335 nan 8.250 nan 0.000 0.444 243 N N -0.001 118.721 118.700 0.038 0.000 2.251 243 N HA 0.094 4.835 4.740 0.001 0.000 0.217 243 N C -0.427 175.111 175.510 0.046 0.000 1.124 243 N CA 0.077 53.144 53.050 0.028 0.000 0.843 243 N CB 0.918 39.411 38.487 0.010 0.000 1.024 243 N HN 0.144 nan 8.380 nan 0.000 0.501 244 A N 0.595 123.470 122.820 0.092 0.000 2.286 244 A HA 0.519 4.840 4.320 0.001 0.000 0.286 244 A C 0.879 178.519 177.584 0.094 0.000 1.097 244 A CA -0.420 51.690 52.037 0.122 0.000 0.821 244 A CB 0.355 19.518 19.000 0.271 0.000 1.076 244 A HN 0.228 nan 8.150 nan 0.000 0.490 245 T N -0.914 113.685 114.554 0.075 0.000 2.816 245 T HA 0.378 4.729 4.350 0.001 0.000 0.282 245 T C 1.232 175.973 174.700 0.067 0.000 0.993 245 T CA -0.617 61.516 62.100 0.055 0.000 0.994 245 T CB 0.326 69.212 68.868 0.031 0.000 1.025 245 T HN 0.322 nan 8.240 nan 0.000 0.529 246 I N 0.656 121.260 120.570 0.058 0.000 2.226 246 I HA -0.108 4.063 4.170 0.001 0.000 0.245 246 I C 2.494 178.649 176.117 0.063 0.000 1.100 246 I CA 1.571 62.906 61.300 0.060 0.000 1.374 246 I CB -1.106 36.931 38.000 0.061 0.000 1.057 246 I HN 0.785 nan 8.210 nan 0.000 0.413 247 K N 0.699 121.129 120.400 0.049 0.000 2.097 247 K HA -0.192 4.128 4.320 0.001 0.000 0.206 247 K C 1.980 178.638 176.600 0.097 0.000 1.049 247 K CA 1.346 57.665 56.287 0.053 0.000 0.933 247 K CB -0.086 32.416 32.500 0.003 0.000 0.717 247 K HN 0.399 nan 8.250 nan 0.000 0.442 248 E N 0.302 120.553 120.200 0.085 0.000 2.077 248 E HA -0.166 4.184 4.350 0.001 0.000 0.193 248 E C 2.021 178.734 176.600 0.189 0.000 0.989 248 E CA 1.187 57.664 56.400 0.129 0.000 0.800 248 E CB -0.010 29.765 29.700 0.125 0.000 0.746 248 E HN 0.027 nan 8.360 nan 0.000 0.452 249 V N 1.397 121.379 119.914 0.113 0.000 2.287 249 V HA -0.279 3.842 4.120 0.001 0.000 0.248 249 V C 2.248 178.381 176.094 0.065 0.000 1.053 249 V CA 1.653 63.932 62.300 -0.035 0.000 1.027 249 V CB -0.401 31.364 31.823 -0.097 0.000 0.646 249 V HN 0.264 nan 8.190 nan 0.000 0.447 250 I N -1.080 119.592 120.570 0.171 0.000 2.163 250 I HA -0.284 3.887 4.170 0.001 0.000 0.243 250 I C 2.317 178.647 176.117 0.354 0.000 1.085 250 I CA 1.942 63.434 61.300 0.321 0.000 1.347 250 I CB -0.414 37.781 38.000 0.325 0.000 1.044 250 I HN 0.266 nan 8.210 nan 0.000 0.408 251 F N 1.851 121.868 119.950 0.111 0.000 2.120 251 F HA -0.319 4.209 4.527 0.001 0.000 0.300 251 F C 2.139 177.973 175.800 0.056 0.000 1.095 251 F CA 2.025 60.068 58.000 0.071 0.000 1.249 251 F CB -0.248 38.763 39.000 0.020 0.000 0.995 251 F HN 0.109 nan 8.300 nan 0.000 0.480 252 D N -0.393 120.122 120.400 0.191 0.000 2.149 252 D HA -0.158 4.482 4.640 0.001 0.000 0.201 252 D C 2.380 178.613 176.300 -0.113 0.000 0.972 252 D CA 1.268 55.302 54.000 0.058 0.000 0.835 252 D CB -0.310 40.614 40.800 0.205 0.000 0.966 252 D HN 0.298 nan 8.370 nan 0.000 0.476 253 M N -0.687 118.891 119.600 -0.037 0.000 2.108 253 M HA -0.204 4.277 4.480 0.001 0.000 0.261 253 M C 1.596 177.646 176.300 -0.417 0.000 1.066 253 M CA 1.379 56.600 55.300 -0.131 0.000 1.107 253 M CB -0.316 32.194 32.600 -0.151 0.000 1.356 253 M HN 0.087 nan 8.290 nan 0.000 0.406 254 Y N 0.034 120.209 120.300 -0.209 0.000 2.583 254 Y HA -0.057 4.493 4.550 0.001 0.000 0.293 254 Y C 1.910 177.593 175.900 -0.361 0.000 1.157 254 Y CA 0.785 58.721 58.100 -0.273 0.000 1.315 254 Y CB -0.427 37.804 38.460 -0.382 0.000 1.021 254 Y HN 0.150 nan 8.280 nan 0.000 0.536 255 K N -0.667 119.382 120.400 -0.585 0.000 2.362 255 K HA -0.112 4.209 4.320 0.001 0.000 0.200 255 K C -0.190 175.712 176.600 -1.163 0.000 1.046 255 K CA 0.868 56.672 56.287 -0.805 0.000 0.952 255 K CB -0.080 31.852 32.500 -0.946 0.000 0.753 255 K HN 0.318 nan 8.250 nan 0.000 0.466 256 Y N 0.077 120.031 120.300 -0.577 0.000 2.811 256 Y HA 0.434 4.984 4.550 0.001 0.000 0.330 256 Y C 0.120 175.589 175.900 -0.720 0.000 1.081 256 Y CA -0.934 56.650 58.100 -0.859 0.000 1.408 256 Y CB 0.143 38.378 38.460 -0.374 0.000 1.235 256 Y HN -0.086 nan 8.280 nan 0.000 0.529 257 A N -0.857 121.622 122.820 -0.569 0.000 2.610 257 A HA 0.568 4.889 4.320 0.001 0.000 0.291 257 A C -0.232 177.248 177.584 -0.174 0.000 1.086 257 A CA -0.663 51.272 52.037 -0.169 0.000 0.677 257 A CB 1.008 19.992 19.000 -0.026 0.000 1.278 257 A HN 0.115 nan 8.150 nan 0.000 0.414 258 D N -0.120 120.114 120.400 -0.276 0.000 2.389 258 D HA 0.450 5.091 4.640 0.001 0.000 0.206 258 D C 0.586 176.596 176.300 -0.483 0.000 1.055 258 D CA 1.527 55.206 54.000 -0.535 0.000 0.856 258 D CB 1.102 41.192 40.800 -1.184 0.000 0.957 258 D HN 0.908 nan 8.370 nan 0.000 0.509 259 A N 0.287 122.991 122.820 -0.195 0.000 2.564 259 A HA 0.614 4.935 4.320 0.001 0.000 0.291 259 A C -2.003 175.738 177.584 0.263 0.000 1.102 259 A CA -0.773 51.309 52.037 0.074 0.000 0.660 259 A CB 0.951 20.127 19.000 0.293 0.000 1.283 259 A HN 0.062 nan 8.150 nan 0.000 0.430 260 L N -2.170 119.190 121.223 0.228 0.000 2.424 260 L HA 0.976 5.317 4.340 0.001 0.000 0.258 260 L C -0.336 176.563 176.870 0.047 0.000 0.995 260 L CA -0.315 54.590 54.840 0.108 0.000 0.821 260 L CB 1.800 43.799 42.059 -0.100 0.000 1.383 260 L HN 0.971 nan 8.230 nan 0.000 0.410 261 T N 0.081 114.657 114.554 0.037 0.000 2.856 261 T HA 0.788 5.138 4.350 0.001 0.000 0.283 261 T C -0.480 174.180 174.700 -0.068 0.000 1.008 261 T CA -0.493 61.596 62.100 -0.018 0.000 0.997 261 T CB 1.569 70.429 68.868 -0.013 0.000 0.992 261 T HN 0.973 nan 8.240 nan 0.000 0.454 262 M N 2.457 121.996 119.600 -0.102 0.000 2.277 262 M HA 0.453 4.934 4.480 0.001 0.000 0.282 262 M C -1.029 175.219 176.300 -0.087 0.000 1.074 262 M CA -0.554 54.685 55.300 -0.102 0.000 0.954 262 M CB 2.273 34.775 32.600 -0.162 0.000 1.672 262 M HN 0.766 nan 8.290 nan 0.000 0.471 263 S N 2.982 118.639 115.700 -0.073 0.000 2.439 263 S HA 0.557 5.028 4.470 0.001 0.000 0.282 263 S C 0.766 175.348 174.600 -0.031 0.000 1.170 263 S CA 0.111 58.266 58.200 -0.074 0.000 1.054 263 S CB 0.898 64.040 63.200 -0.096 0.000 0.956 263 S HN 0.767 nan 8.310 nan 0.000 0.490 264 A N 5.361 128.165 122.820 -0.027 0.000 2.238 264 A HA 0.223 4.544 4.320 0.001 0.000 0.208 264 A C 0.969 178.552 177.584 -0.002 0.000 1.177 264 A CA 0.205 52.245 52.037 0.006 0.000 0.804 264 A CB -0.072 18.927 19.000 -0.001 0.000 0.823 264 A HN 0.770 nan 8.150 nan 0.000 0.482 268 P HA 0.221 nan 4.420 nan 0.000 0.242 268 P C 0.022 177.308 177.300 -0.022 0.000 1.197 268 P CA 0.482 63.615 63.100 0.055 0.000 0.765 268 P CB 0.131 31.893 31.700 0.103 0.000 0.936 269 L N -2.924 118.278 121.223 -0.034 0.000 3.598 269 L HA -0.199 4.142 4.340 0.001 0.000 0.422 269 L C -0.184 176.641 176.870 -0.075 0.000 1.262 269 L CA 0.246 55.043 54.840 -0.073 0.000 0.889 269 L CB -2.173 39.795 42.059 -0.153 0.000 1.857 269 L HN 0.081 nan 8.230 nan 0.000 0.858 270 L N -1.305 119.886 121.223 -0.053 0.000 2.286 270 L HA 0.430 4.771 4.340 0.001 0.000 0.265 270 L C 1.100 177.938 176.870 -0.053 0.000 1.012 270 L CA -0.641 54.157 54.840 -0.071 0.000 0.818 270 L CB 1.406 43.428 42.059 -0.062 0.000 1.337 270 L HN 0.031 nan 8.230 nan 0.000 0.438 271 N N -0.131 118.530 118.700 -0.066 0.000 2.325 271 N HA 0.265 5.006 4.740 0.001 0.000 0.182 271 N C -0.588 174.908 175.510 -0.023 0.000 1.088 271 N CA 0.233 53.260 53.050 -0.039 0.000 0.879 271 N CB 0.822 39.281 38.487 -0.047 0.000 0.983 271 N HN 0.317 nan 8.380 nan 0.000 0.471 272 I N -1.138 119.413 120.570 -0.031 0.000 2.984 272 I HA 0.576 4.747 4.170 0.001 0.000 0.303 272 I C -1.390 174.716 176.117 -0.018 0.000 1.381 272 I CA -0.168 61.127 61.300 -0.008 0.000 0.988 272 I CB 1.943 39.950 38.000 0.013 0.000 1.307 272 I HN 0.046 nan 8.210 nan 0.000 0.460 273 G N 2.930 111.719 108.800 -0.017 0.000 2.435 273 G HA2 0.588 4.549 3.960 0.001 0.000 0.603 273 G HA3 0.588 4.549 3.960 0.001 0.000 0.603 273 G C -1.095 173.772 174.900 -0.056 0.000 1.496 273 G CA -0.247 44.838 45.100 -0.025 0.000 0.896 273 G HN 1.385 nan 8.290 nan 0.000 0.657 274 G N -1.042 107.721 108.800 -0.060 0.000 2.684 274 G HA2 0.949 4.910 3.960 0.001 0.000 0.290 274 G HA3 0.949 4.910 3.960 0.001 0.000 0.290 274 G C -1.891 172.969 174.900 -0.065 0.000 1.425 274 G CA -0.314 44.734 45.100 -0.087 0.000 0.822 274 G HN 1.834 nan 8.290 nan 0.000 0.482 275 L N -0.185 120.991 121.223 -0.078 0.000 2.545 275 L HA 0.742 5.082 4.340 0.001 0.000 0.258 275 L C -1.307 175.518 176.870 -0.074 0.000 0.942 275 L CA -0.629 54.172 54.840 -0.066 0.000 0.855 275 L CB 2.344 44.360 42.059 -0.070 0.000 1.374 275 L HN 0.497 nan 8.230 nan 0.000 0.411 276 V N 3.465 123.357 119.914 -0.035 0.000 2.448 276 V HA 0.943 5.064 4.120 0.001 0.000 0.295 276 V C -0.097 176.017 176.094 0.034 0.000 1.025 276 V CA -0.098 62.201 62.300 -0.001 0.000 0.859 276 V CB 1.323 33.162 31.823 0.026 0.000 0.988 276 V HN 0.957 nan 8.190 nan 0.000 0.431 277 A N 5.913 128.755 122.820 0.037 0.000 2.386 277 A HA 0.948 5.269 4.320 0.001 0.000 0.311 277 A C -1.073 176.627 177.584 0.193 0.000 1.068 277 A CA -0.539 51.562 52.037 0.106 0.000 0.743 277 A CB 1.232 20.257 19.000 0.041 0.000 1.258 277 A HN 0.740 nan 8.150 nan 0.000 0.429 278 I N 1.892 122.561 120.570 0.164 0.000 2.466 278 I HA 0.382 4.553 4.170 0.001 0.000 0.289 278 I C 1.335 177.382 176.117 -0.117 0.000 1.026 278 I CA -0.539 60.797 61.300 0.061 0.000 1.078 278 I CB 2.082 40.184 38.000 0.169 0.000 1.249 278 I HN 1.004 nan 8.210 nan 0.000 0.429 279 R N 3.479 123.623 120.500 -0.594 0.000 2.070 279 R HA -0.163 4.177 4.340 0.001 0.000 0.232 279 R C 0.403 176.592 176.300 -0.185 0.000 1.138 279 R CA 2.737 58.409 56.100 -0.713 0.000 0.936 279 R CB 0.171 29.869 30.300 -1.003 0.000 0.839 279 R HN 0.878 nan 8.270 nan 0.000 0.429 280 D N -2.874 117.508 120.400 -0.030 0.000 2.475 280 D HA -0.018 4.623 4.640 0.001 0.000 0.306 280 D C -0.743 175.674 176.300 0.195 0.000 1.304 280 D CA -0.434 53.646 54.000 0.134 0.000 0.862 280 D CB -0.837 39.984 40.800 0.035 0.000 1.306 280 D HN -0.001 nan 8.370 nan 0.000 0.494 281 N N 1.913 120.686 118.700 0.121 0.000 2.482 281 N HA 0.027 4.768 4.740 0.001 0.000 0.242 281 N C 0.738 176.203 175.510 -0.076 0.000 1.100 281 N CA 0.202 53.286 53.050 0.056 0.000 0.946 281 N CB 0.967 39.502 38.487 0.081 0.000 1.227 281 N HN 0.316 nan 8.380 nan 0.000 0.508 282 E N 2.278 122.417 120.200 -0.101 0.000 2.153 282 E HA -0.214 4.137 4.350 0.001 0.000 0.194 282 E C 1.132 177.664 176.600 -0.114 0.000 0.988 282 E CA 1.023 57.270 56.400 -0.254 0.000 0.811 282 E CB 0.253 29.905 29.700 -0.080 0.000 0.746 282 E HN 0.712 nan 8.360 nan 0.000 0.466 283 E N 0.089 120.253 120.200 -0.060 0.000 2.072 283 E HA -0.181 4.169 4.350 0.001 0.000 0.191 283 E C 2.021 178.547 176.600 -0.123 0.000 0.985 283 E CA 0.994 57.368 56.400 -0.043 0.000 0.801 283 E CB 0.060 29.794 29.700 0.056 0.000 0.750 283 E HN 0.254 nan 8.360 nan 0.000 0.452 284 I N 0.959 121.392 120.570 -0.229 0.000 2.226 284 I HA -0.232 3.939 4.170 0.001 0.000 0.245 284 I C 2.342 178.370 176.117 -0.147 0.000 1.100 284 I CA 1.018 62.138 61.300 -0.299 0.000 1.374 284 I CB -1.241 36.518 38.000 -0.402 0.000 1.057 284 I HN 0.234 nan 8.210 nan 0.000 0.413 285 F N 2.366 122.148 119.950 -0.280 0.000 2.065 285 F HA -0.279 4.249 4.527 0.001 0.000 0.298 285 F C 2.608 178.281 175.800 -0.211 0.000 1.112 285 F CA 2.258 60.092 58.000 -0.277 0.000 1.212 285 F CB -0.887 37.767 39.000 -0.577 0.000 0.975 285 F HN 0.008 nan 8.300 nan 0.000 0.476 286 T N 1.624 115.961 114.554 -0.362 0.000 2.708 286 T HA -0.184 4.167 4.350 0.001 0.000 0.266 286 T C 2.193 176.722 174.700 -0.284 0.000 1.037 286 T CA 1.873 63.744 62.100 -0.382 0.000 1.146 286 T CB -0.567 68.195 68.868 -0.176 0.000 0.865 286 T HN 0.265 nan 8.240 nan 0.000 0.435 287 L N 0.601 121.710 121.223 -0.189 0.000 2.093 287 L HA -0.019 4.321 4.340 0.001 0.000 0.208 287 L C 3.020 179.798 176.870 -0.153 0.000 1.085 287 L CA 1.036 55.795 54.840 -0.135 0.000 0.755 287 L CB -0.622 41.386 42.059 -0.084 0.000 0.904 287 L HN 0.234 nan 8.230 nan 0.000 0.435 288 A N -0.028 122.685 122.820 -0.178 0.000 1.902 288 A HA -0.196 4.124 4.320 0.001 0.000 0.217 288 A C 2.395 179.855 177.584 -0.207 0.000 1.181 288 A CA 1.314 53.261 52.037 -0.150 0.000 0.623 288 A CB -0.462 18.477 19.000 -0.103 0.000 0.818 288 A HN 0.281 nan 8.150 nan 0.000 0.443 289 R N -0.575 119.715 120.500 -0.349 0.000 2.105 289 R HA -0.181 4.160 4.340 0.001 0.000 0.239 289 R C 2.413 178.561 176.300 -0.253 0.000 1.135 289 R CA 1.813 57.684 56.100 -0.381 0.000 0.967 289 R CB -0.291 29.655 30.300 -0.589 0.000 0.861 289 R HN 0.713 nan 8.270 nan 0.000 0.442 290 Q N -0.526 119.155 119.800 -0.198 0.000 2.119 290 Q HA -0.148 4.193 4.340 0.001 0.000 0.201 290 Q C 2.098 178.042 176.000 -0.093 0.000 0.972 290 Q CA 1.132 56.861 55.803 -0.124 0.000 0.847 290 Q CB -0.066 28.617 28.738 -0.093 0.000 0.903 290 Q HN 0.235 nan 8.270 nan 0.000 0.433 291 R N 0.055 120.497 120.500 -0.096 0.000 2.119 291 R HA -0.081 4.259 4.340 0.001 0.000 0.222 291 R C 2.398 178.651 176.300 -0.078 0.000 1.088 291 R CA 0.870 56.929 56.100 -0.067 0.000 0.984 291 R CB -0.438 29.829 30.300 -0.054 0.000 0.884 291 R HN 0.326 nan 8.270 nan 0.000 0.447 292 C N 0.137 119.367 119.300 -0.117 0.000 2.398 292 C HA -0.111 4.350 4.460 0.001 0.000 0.276 292 C C 2.474 177.390 174.990 -0.123 0.000 1.222 292 C CA 1.116 60.053 59.018 -0.135 0.000 1.746 292 C CB -0.877 26.744 27.740 -0.199 0.000 2.039 292 C HN 0.405 nan 8.230 nan 0.000 0.470 293 V N 2.888 122.734 119.914 -0.112 0.000 2.219 293 V HA -0.182 3.939 4.120 0.001 0.000 0.248 293 V C 0.263 176.352 176.094 -0.009 0.000 1.053 293 V CA 2.917 65.187 62.300 -0.050 0.000 1.009 293 V CB -2.103 29.719 31.823 -0.001 0.000 0.636 293 V HN 0.525 nan 8.190 nan 0.000 0.445 294 P HA -0.083 nan 4.420 nan 0.000 0.220 294 P C 1.746 179.049 177.300 0.004 0.000 1.152 294 P CA 1.452 64.558 63.100 0.009 0.000 0.812 294 P CB -0.070 31.633 31.700 0.005 0.000 0.792 295 M N -0.910 118.683 119.600 -0.010 0.000 2.357 295 M HA 0.030 4.511 4.480 0.001 0.000 0.266 295 M C 1.724 178.022 176.300 -0.004 0.000 1.095 295 M CA 1.434 56.733 55.300 -0.003 0.000 1.156 295 M CB -0.841 31.755 32.600 -0.007 0.000 1.365 295 M HN -0.058 nan 8.290 nan 0.000 0.447 296 E N -0.627 119.558 120.200 -0.025 0.000 2.279 296 E HA 0.404 4.755 4.350 0.001 0.000 0.199 296 E C 0.994 177.561 176.600 -0.056 0.000 0.893 296 E CA 0.728 57.114 56.400 -0.023 0.000 0.978 296 E CB 0.918 30.597 29.700 -0.034 0.000 0.964 296 E HN 0.383 nan 8.360 nan 0.000 0.486 297 G N 0.711 109.424 108.800 -0.146 0.000 2.343 297 G HA2 0.097 4.058 3.960 0.001 0.000 0.289 297 G HA3 0.097 4.058 3.960 0.001 0.000 0.289 297 G C -1.523 173.136 174.900 -0.401 0.000 1.295 297 G CA -0.693 44.279 45.100 -0.214 0.000 0.869 297 G HN 0.023 nan 8.290 nan 0.000 0.522 298 F N 0.936 120.492 119.950 -0.658 0.000 2.589 298 F HA 0.336 4.864 4.527 0.001 0.000 0.352 298 F C 2.027 177.444 175.800 -0.639 0.000 1.168 298 F CA 0.548 58.265 58.000 -0.473 0.000 1.353 298 F CB 1.370 40.234 39.000 -0.227 0.000 1.116 298 F HN 0.791 nan 8.300 nan 0.000 0.608 299 V N 1.044 120.059 119.914 -1.500 0.000 3.078 299 V HA -0.126 3.995 4.120 0.001 0.000 0.265 299 V C 1.338 176.896 176.094 -0.893 0.000 1.122 299 V CA 1.972 63.658 62.300 -1.023 0.000 1.141 299 V CB -1.825 29.476 31.823 -0.871 0.000 0.735 299 V HN 0.933 nan 8.190 nan 0.000 0.498 300 T N -2.765 111.206 114.554 -0.972 0.000 3.122 300 T HA 0.224 4.574 4.350 0.001 0.000 0.250 300 T C 1.032 175.579 174.700 -0.255 0.000 1.067 300 T CA 0.662 62.254 62.100 -0.848 0.000 0.966 300 T CB -0.364 68.039 68.868 -0.775 0.000 1.002 300 T HN 0.842 nan 8.240 nan 0.000 0.542 301 Y N -1.549 118.613 120.300 -0.231 0.000 2.460 301 Y HA 0.552 5.103 4.550 0.001 0.000 0.276 301 Y C 1.371 177.224 175.900 -0.078 0.000 1.119 301 Y CA -0.541 57.490 58.100 -0.114 0.000 1.181 301 Y CB -0.209 38.171 38.460 -0.133 0.000 1.304 301 Y HN 0.111 nan 8.280 nan 0.000 0.536 302 G N 1.436 109.843 108.800 -0.656 0.000 2.356 302 G HA2 0.075 4.035 3.960 0.001 0.000 0.296 302 G HA3 0.075 4.035 3.960 0.001 0.000 0.296 302 G C 1.213 176.049 174.900 -0.106 0.000 1.022 302 G CA 0.965 45.846 45.100 -0.366 0.000 0.961 302 G HN 1.834 nan 8.290 nan 0.000 0.510 303 G N -2.180 106.628 108.800 0.014 0.000 2.136 303 G HA2 -0.188 3.773 3.960 0.001 0.000 0.242 303 G HA3 -0.188 3.773 3.960 0.001 0.000 0.242 303 G C 0.254 175.297 174.900 0.239 0.000 0.989 303 G CA 0.557 45.782 45.100 0.208 0.000 0.682 303 G HN 1.359 nan 8.290 nan 0.000 0.522 304 L N 0.222 121.614 121.223 0.282 0.000 2.346 304 L HA 0.786 5.127 4.340 0.001 0.000 0.274 304 L C 0.982 177.923 176.870 0.118 0.000 1.007 304 L CA -0.777 54.164 54.840 0.168 0.000 0.818 304 L CB 1.881 44.012 42.059 0.120 0.000 1.284 304 L HN 0.285 nan 8.230 nan 0.000 0.424 305 A N 1.568 124.407 122.820 0.032 0.000 2.483 305 A HA 0.329 4.649 4.320 0.001 0.000 0.238 305 A C 1.302 178.884 177.584 -0.002 0.000 1.070 305 A CA 0.465 52.489 52.037 -0.022 0.000 0.770 305 A CB 0.361 19.344 19.000 -0.028 0.000 1.008 305 A HN 0.993 nan 8.150 nan 0.000 0.497 306 G N 1.033 109.823 108.800 -0.015 0.000 2.422 306 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 306 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 306 G C 1.491 176.393 174.900 0.003 0.000 1.146 306 G CA 1.045 46.153 45.100 0.014 0.000 0.769 306 G HN 0.966 nan 8.290 nan 0.000 0.547 307 R N 0.280 120.769 120.500 -0.017 0.000 2.127 307 R HA -0.024 4.317 4.340 0.001 0.000 0.238 307 R C 1.552 177.814 176.300 -0.064 0.000 1.134 307 R CA 1.717 57.793 56.100 -0.040 0.000 0.975 307 R CB -0.481 29.785 30.300 -0.057 0.000 0.865 307 R HN 0.172 nan 8.270 nan 0.000 0.447 308 D N 0.800 121.169 120.400 -0.053 0.000 2.194 308 D HA -0.026 4.614 4.640 0.001 0.000 0.204 308 D C 2.045 178.324 176.300 -0.034 0.000 0.964 308 D CA 1.118 55.082 54.000 -0.060 0.000 0.846 308 D CB -0.057 40.718 40.800 -0.040 0.000 0.962 308 D HN 0.335 nan 8.370 nan 0.000 0.490 309 M N 0.746 120.345 119.600 -0.002 0.000 2.175 309 M HA -0.094 4.387 4.480 0.001 0.000 0.264 309 M C 2.360 178.655 176.300 -0.008 0.000 1.063 309 M CA 1.024 56.330 55.300 0.009 0.000 1.119 309 M CB -0.114 32.514 32.600 0.045 0.000 1.377 309 M HN -0.051 nan 8.290 nan 0.000 0.415 310 A N 0.467 123.279 122.820 -0.012 0.000 1.898 310 A HA -0.023 4.298 4.320 0.001 0.000 0.216 310 A C 2.371 179.932 177.584 -0.038 0.000 1.181 310 A CA 1.824 53.852 52.037 -0.016 0.000 0.620 310 A CB -0.875 18.118 19.000 -0.012 0.000 0.819 310 A HN 0.480 nan 8.150 nan 0.000 0.442 311 A N -0.761 122.016 122.820 -0.071 0.000 1.933 311 A HA -0.114 4.207 4.320 0.001 0.000 0.218 311 A C 2.252 179.792 177.584 -0.074 0.000 1.175 311 A CA 1.797 53.773 52.037 -0.101 0.000 0.628 311 A CB -0.512 18.382 19.000 -0.178 0.000 0.814 311 A HN 0.606 nan 8.150 nan 0.000 0.444 312 M N -0.373 119.194 119.600 -0.055 0.000 2.175 312 M HA -0.108 4.372 4.480 0.001 0.000 0.264 312 M C 1.847 178.131 176.300 -0.026 0.000 1.063 312 M CA 1.628 56.907 55.300 -0.034 0.000 1.119 312 M CB -0.165 32.422 32.600 -0.021 0.000 1.377 312 M HN 0.217 nan 8.290 nan 0.000 0.415 313 V N 0.558 120.455 119.914 -0.029 0.000 2.343 313 V HA -0.272 3.849 4.120 0.001 0.000 0.247 313 V C 2.337 178.410 176.094 -0.035 0.000 1.051 313 V CA 2.112 64.394 62.300 -0.031 0.000 1.036 313 V CB -0.838 30.969 31.823 -0.027 0.000 0.654 313 V HN 0.549 nan 8.190 nan 0.000 0.451 314 Q N 0.883 120.662 119.800 -0.035 0.000 2.083 314 Q HA -0.039 4.302 4.340 0.001 0.000 0.198 314 Q C 2.174 178.142 176.000 -0.055 0.000 0.969 314 Q CA 2.062 57.841 55.803 -0.039 0.000 0.838 314 Q CB -0.937 27.789 28.738 -0.021 0.000 0.900 314 Q HN 0.523 nan 8.270 nan 0.000 0.436 315 G N 0.466 109.232 108.800 -0.057 0.000 2.422 315 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 315 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 315 G C 1.358 176.234 174.900 -0.039 0.000 1.146 315 G CA 0.854 45.914 45.100 -0.066 0.000 0.769 315 G HN 0.389 nan 8.290 nan 0.000 0.547 316 L N -0.012 121.209 121.223 -0.002 0.000 2.131 316 L HA -0.047 4.294 4.340 0.001 0.000 0.210 316 L C 2.770 179.639 176.870 -0.001 0.000 1.092 316 L CA 1.436 56.305 54.840 0.048 0.000 0.759 316 L CB -0.170 41.915 42.059 0.043 0.000 0.903 316 L HN 0.271 nan 8.230 nan 0.000 0.435 317 E N 0.484 120.660 120.200 -0.040 0.000 2.046 317 E HA -0.207 4.144 4.350 0.001 0.000 0.190 317 E C 1.998 178.559 176.600 -0.065 0.000 0.982 317 E CA 1.338 57.704 56.400 -0.056 0.000 0.800 317 E CB 0.025 29.685 29.700 -0.067 0.000 0.756 317 E HN 0.368 nan 8.360 nan 0.000 0.449 318 E N -0.558 119.587 120.200 -0.092 0.000 2.110 318 E HA -0.121 4.230 4.350 0.001 0.000 0.193 318 E C 1.995 178.499 176.600 -0.160 0.000 0.988 318 E CA 0.869 57.187 56.400 -0.137 0.000 0.804 318 E CB -0.311 29.274 29.700 -0.192 0.000 0.745 318 E HN 0.449 nan 8.360 nan 0.000 0.458 319 G N 0.952 109.672 108.800 -0.134 0.000 2.470 319 G HA2 -0.262 3.699 3.960 0.001 0.000 0.220 319 G HA3 -0.262 3.699 3.960 0.001 0.000 0.220 319 G C 1.677 176.572 174.900 -0.008 0.000 1.121 319 G CA 1.406 46.458 45.100 -0.080 0.000 0.766 319 G HN 0.375 nan 8.290 nan 0.000 0.553 320 T N -1.617 112.918 114.554 -0.032 0.000 3.129 320 T HA 0.215 4.566 4.350 0.001 0.000 0.251 320 T C 0.622 175.356 174.700 0.058 0.000 1.117 320 T CA -0.117 61.973 62.100 -0.016 0.000 1.034 320 T CB 0.090 68.939 68.868 -0.031 0.000 0.968 320 T HN 0.329 nan 8.240 nan 0.000 0.526 321 E N 1.473 121.739 120.200 0.110 0.000 2.257 321 E HA 0.148 4.498 4.350 0.001 0.000 0.278 321 E C 0.903 177.610 176.600 0.179 0.000 1.049 321 E CA -0.237 56.240 56.400 0.128 0.000 0.876 321 E CB 1.080 30.852 29.700 0.120 0.000 1.035 321 E HN 0.465 nan 8.360 nan 0.000 0.419 322 E N 2.972 123.253 120.200 0.135 0.000 2.110 322 E HA -0.244 4.107 4.350 0.001 0.000 0.193 322 E C 0.857 177.553 176.600 0.160 0.000 0.988 322 E CA 1.360 57.854 56.400 0.157 0.000 0.804 322 E CB 0.324 30.099 29.700 0.126 0.000 0.745 322 E HN 0.460 nan 8.360 nan 0.000 0.458 323 E N -0.225 120.062 120.200 0.144 0.000 2.077 323 E HA -0.220 4.131 4.350 0.001 0.000 0.193 323 E C 1.760 178.475 176.600 0.192 0.000 0.989 323 E CA 1.430 57.923 56.400 0.155 0.000 0.800 323 E CB -0.562 29.209 29.700 0.118 0.000 0.746 323 E HN 0.451 nan 8.360 nan 0.000 0.452 324 Y N 1.192 121.562 120.300 0.116 0.000 2.163 324 Y HA -0.109 4.441 4.550 0.001 0.000 0.288 324 Y C 1.818 177.783 175.900 0.110 0.000 1.136 324 Y CA 1.320 59.514 58.100 0.158 0.000 1.147 324 Y CB -0.362 38.170 38.460 0.121 0.000 0.987 324 Y HN -0.037 nan 8.280 nan 0.000 0.509 325 L N -0.207 120.767 121.223 -0.415 0.000 2.042 325 L HA -0.258 4.083 4.340 0.001 0.000 0.210 325 L C 2.606 179.006 176.870 -0.783 0.000 1.076 325 L CA 1.932 56.360 54.840 -0.686 0.000 0.749 325 L CB -0.854 41.008 42.059 -0.327 0.000 0.893 325 L HN 0.358 nan 8.230 nan 0.000 0.432 326 H N -0.909 117.820 119.070 -0.568 0.000 2.352 326 H HA -0.299 4.258 4.556 0.001 0.000 0.299 326 H C 2.092 177.242 175.328 -0.297 0.000 1.097 326 H CA 2.335 58.122 56.048 -0.435 0.000 1.311 326 H CB -0.236 29.519 29.762 -0.013 0.000 1.377 326 H HN 0.412 nan 8.280 nan 0.000 0.504 327 Y N 0.765 120.861 120.300 -0.340 0.000 2.133 327 Y HA -0.133 4.418 4.550 0.001 0.000 0.287 327 Y C 2.792 178.501 175.900 -0.318 0.000 1.134 327 Y CA 1.785 59.713 58.100 -0.288 0.000 1.133 327 Y CB -0.374 38.013 38.460 -0.122 0.000 0.987 327 Y HN 0.031 nan 8.280 nan 0.000 0.502 328 R N 1.263 121.434 120.500 -0.549 0.000 2.080 328 R HA -0.188 4.152 4.340 0.001 0.000 0.236 328 R C 2.203 178.198 176.300 -0.508 0.000 1.137 328 R CA 2.448 58.194 56.100 -0.589 0.000 0.943 328 R CB -0.976 28.930 30.300 -0.657 0.000 0.846 328 R HN 0.612 nan 8.270 nan 0.000 0.431 329 I N -0.029 120.209 120.570 -0.552 0.000 2.493 329 I HA -0.137 4.034 4.170 0.001 0.000 0.254 329 I C 2.342 178.271 176.117 -0.313 0.000 1.160 329 I CA 1.216 62.263 61.300 -0.422 0.000 1.445 329 I CB -0.472 37.146 38.000 -0.636 0.000 1.086 329 I HN 0.331 nan 8.210 nan 0.000 0.433 330 G N -0.094 108.456 108.800 -0.417 0.000 2.448 330 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 330 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 330 G C 1.545 176.315 174.900 -0.217 0.000 1.135 330 G CA 0.320 45.238 45.100 -0.304 0.000 0.784 330 G HN 0.414 nan 8.290 nan 0.000 0.543 331 Q N 0.049 119.641 119.800 -0.347 0.000 2.083 331 Q HA -0.046 4.295 4.340 0.001 0.000 0.198 331 Q C 2.500 178.470 176.000 -0.049 0.000 0.969 331 Q CA 1.296 56.962 55.803 -0.229 0.000 0.838 331 Q CB -0.106 28.374 28.738 -0.429 0.000 0.900 331 Q HN 0.278 nan 8.270 nan 0.000 0.436 332 V N 1.475 121.336 119.914 -0.089 0.000 2.358 332 V HA -0.240 3.881 4.120 0.001 0.000 0.246 332 V C 2.411 178.510 176.094 0.009 0.000 1.047 332 V CA 2.101 64.383 62.300 -0.030 0.000 1.035 332 V CB -0.619 31.183 31.823 -0.035 0.000 0.658 332 V HN 0.397 nan 8.190 nan 0.000 0.452 333 K N -0.803 119.607 120.400 0.016 0.000 2.147 333 K HA -0.249 4.071 4.320 0.001 0.000 0.205 333 K C 2.197 178.844 176.600 0.079 0.000 1.049 333 K CA 1.797 58.119 56.287 0.057 0.000 0.936 333 K CB -0.265 32.271 32.500 0.060 0.000 0.722 333 K HN 0.569 nan 8.250 nan 0.000 0.446 334 Y N 1.114 121.395 120.300 -0.032 0.000 2.163 334 Y HA -0.210 4.340 4.550 0.001 0.000 0.288 334 Y C 1.902 177.800 175.900 -0.003 0.000 1.136 334 Y CA 1.340 59.429 58.100 -0.019 0.000 1.147 334 Y CB -0.357 38.079 38.460 -0.040 0.000 0.987 334 Y HN 0.093 nan 8.280 nan 0.000 0.509 335 L N 0.539 121.732 121.223 -0.050 0.000 2.083 335 L HA 0.005 4.345 4.340 0.001 0.000 0.209 335 L C 2.341 179.133 176.870 -0.131 0.000 1.083 335 L CA 2.309 57.070 54.840 -0.131 0.000 0.752 335 L CB -1.347 40.701 42.059 -0.019 0.000 0.899 335 L HN 0.320 nan 8.230 nan 0.000 0.433 336 G N -1.195 107.571 108.800 -0.057 0.000 2.404 336 G HA2 -0.248 3.713 3.960 0.001 0.000 0.215 336 G HA3 -0.248 3.713 3.960 0.001 0.000 0.215 336 G C 1.275 176.161 174.900 -0.024 0.000 1.174 336 G CA 0.752 45.847 45.100 -0.009 0.000 0.780 336 G HN 0.412 nan 8.290 nan 0.000 0.537 337 D N 0.184 120.561 120.400 -0.037 0.000 2.178 337 D HA -0.047 4.594 4.640 0.001 0.000 0.201 337 D C 2.661 178.878 176.300 -0.139 0.000 0.980 337 D CA 0.407 54.374 54.000 -0.054 0.000 0.842 337 D CB -0.084 40.705 40.800 -0.020 0.000 0.948 337 D HN 0.055 nan 8.370 nan 0.000 0.472 338 R N 0.246 120.588 120.500 -0.263 0.000 2.081 338 R HA -0.006 4.334 4.340 0.001 0.000 0.235 338 R C 2.508 178.727 176.300 -0.135 0.000 1.131 338 R CA 0.378 56.322 56.100 -0.261 0.000 0.960 338 R CB -0.787 29.285 30.300 -0.379 0.000 0.856 338 R HN 0.314 nan 8.270 nan 0.000 0.436 339 L N -0.309 120.850 121.223 -0.108 0.000 2.072 339 L HA -0.067 4.274 4.340 0.001 0.000 0.205 339 L C 2.789 179.630 176.870 -0.048 0.000 1.079 339 L CA 1.100 55.905 54.840 -0.058 0.000 0.752 339 L CB -0.398 41.637 42.059 -0.040 0.000 0.906 339 L HN 0.117 nan 8.230 nan 0.000 0.436 340 R N 0.432 120.897 120.500 -0.059 0.000 2.081 340 R HA -0.175 4.165 4.340 0.001 0.000 0.235 340 R C 2.137 178.390 176.300 -0.078 0.000 1.131 340 R CA 1.520 57.574 56.100 -0.078 0.000 0.960 340 R CB -0.025 30.207 30.300 -0.114 0.000 0.856 340 R HN 0.380 nan 8.270 nan 0.000 0.436 341 E N -0.651 119.506 120.200 -0.072 0.000 2.204 341 E HA -0.138 4.213 4.350 0.001 0.000 0.195 341 E C 1.292 177.867 176.600 -0.042 0.000 0.990 341 E CA 1.015 57.381 56.400 -0.058 0.000 0.821 341 E CB 0.080 29.747 29.700 -0.055 0.000 0.750 341 E HN 0.388 nan 8.360 nan 0.000 0.477 342 A N 0.009 122.807 122.820 -0.037 0.000 2.307 342 A HA 0.350 4.671 4.320 0.001 0.000 0.218 342 A C 1.445 179.024 177.584 -0.007 0.000 1.228 342 A CA 0.589 52.614 52.037 -0.019 0.000 0.857 342 A CB -0.020 18.972 19.000 -0.014 0.000 0.897 342 A HN 0.275 nan 8.150 nan 0.000 0.495 343 G N -0.483 108.306 108.800 -0.018 0.000 2.132 343 G HA2 -0.160 3.800 3.960 0.001 0.000 0.228 343 G HA3 -0.160 3.800 3.960 0.001 0.000 0.228 343 G C -0.143 174.756 174.900 -0.002 0.000 1.000 343 G CA 0.126 45.220 45.100 -0.010 0.000 0.693 343 G HN 0.351 nan 8.290 nan 0.000 0.515 344 I N 1.788 122.354 120.570 -0.006 0.000 2.336 344 I HA 0.326 4.497 4.170 0.001 0.000 0.292 344 I C -1.878 174.233 176.117 -0.010 0.000 0.991 344 I CA -2.523 58.774 61.300 -0.004 0.000 1.227 344 I CB 1.253 39.257 38.000 0.008 0.000 1.366 344 I HN -0.060 nan 8.210 nan 0.000 0.466 345 P HA 0.385 nan 4.420 nan 0.000 0.281 345 P C -0.735 176.598 177.300 0.054 0.000 1.252 345 P CA -0.058 63.055 63.100 0.022 0.000 0.778 345 P CB 1.172 32.890 31.700 0.030 0.000 0.895 346 I N -0.859 119.750 120.570 0.065 0.000 3.145 346 I HA 0.580 4.751 4.170 0.001 0.000 0.313 346 I C -0.388 175.796 176.117 0.111 0.000 1.122 346 I CA -1.843 59.503 61.300 0.077 0.000 0.987 346 I CB 1.981 40.017 38.000 0.059 0.000 1.236 346 I HN 0.090 nan 8.210 nan 0.000 0.453 347 Q N 2.264 122.096 119.800 0.054 0.000 2.337 347 Q HA 0.286 4.627 4.340 0.001 0.000 0.270 347 Q C -1.920 174.141 176.000 0.101 0.000 1.002 347 Q CA 0.546 56.371 55.803 0.037 0.000 0.888 347 Q CB 0.643 29.294 28.738 -0.145 0.000 1.222 347 Q HN 0.653 nan 8.270 nan 0.000 0.400 348 Y N 5.749 126.023 120.300 -0.044 0.000 2.492 348 Y HA 0.577 5.128 4.550 0.001 0.000 0.346 348 Y C -2.689 173.155 175.900 -0.092 0.000 0.997 348 Y CA -2.498 55.586 58.100 -0.028 0.000 1.025 348 Y CB 2.000 40.476 38.460 0.027 0.000 1.263 348 Y HN 0.672 nan 8.280 nan 0.000 0.454 349 P HA 0.128 nan 4.420 nan 0.000 0.275 349 P C -0.692 176.398 177.300 -0.350 0.000 1.266 349 P CA -0.168 62.419 63.100 -0.856 0.000 0.793 349 P CB 0.636 31.933 31.700 -0.672 0.000 1.074 350 T N -2.165 112.283 114.554 -0.176 0.000 2.918 350 T HA 0.445 4.795 4.350 0.001 0.000 0.302 350 T C 1.023 175.698 174.700 -0.043 0.000 1.045 350 T CA -0.454 61.620 62.100 -0.045 0.000 1.114 350 T CB 0.236 69.126 68.868 0.036 0.000 0.965 350 T HN 0.529 nan 8.240 nan 0.000 0.540 351 G N 0.523 109.319 108.800 -0.007 0.000 2.494 351 G HA2 0.468 4.429 3.960 0.001 0.000 0.270 351 G HA3 0.468 4.429 3.960 0.001 0.000 0.270 351 G C 1.109 176.199 174.900 0.315 0.000 1.423 351 G CA -0.517 44.629 45.100 0.077 0.000 1.055 351 G HN 0.975 nan 8.290 nan 0.000 0.536 352 G N -1.493 107.596 108.800 0.482 0.000 2.551 352 G HA2 0.066 4.027 3.960 0.001 0.000 0.216 352 G HA3 0.066 4.027 3.960 0.001 0.000 0.216 352 G C 1.066 176.114 174.900 0.247 0.000 1.137 352 G CA 1.425 46.753 45.100 0.380 0.000 0.798 352 G HN 0.798 nan 8.290 nan 0.000 0.536 353 H N -2.054 117.081 119.070 0.109 0.000 3.540 353 H HA 0.606 5.163 4.556 0.001 0.000 0.259 353 H C 0.214 175.572 175.328 0.050 0.000 1.197 353 H CA 0.387 56.474 56.048 0.064 0.000 1.136 353 H CB -0.069 29.737 29.762 0.074 0.000 1.605 353 H HN 0.319 nan 8.280 nan 0.000 0.657 354 A N 0.620 123.199 122.820 -0.402 0.000 2.601 354 A HA 0.564 4.885 4.320 0.001 0.000 0.291 354 A C -1.665 175.791 177.584 -0.213 0.000 1.075 354 A CA -0.428 51.380 52.037 -0.381 0.000 0.671 354 A CB 1.751 20.345 19.000 -0.676 0.000 1.277 354 A HN 0.037 nan 8.150 nan 0.000 0.417 355 V N 0.896 120.663 119.914 -0.245 0.000 2.417 355 V HA 0.572 4.692 4.120 0.001 0.000 0.291 355 V C -1.283 174.635 176.094 -0.293 0.000 1.024 355 V CA -0.195 62.023 62.300 -0.137 0.000 0.861 355 V CB 1.038 32.803 31.823 -0.098 0.000 0.985 355 V HN 0.636 nan 8.190 nan 0.000 0.436 356 F N 3.721 123.491 119.950 -0.300 0.000 2.427 356 F HA 0.591 5.119 4.527 0.001 0.000 0.346 356 F C 0.126 175.691 175.800 -0.390 0.000 1.120 356 F CA -0.691 57.011 58.000 -0.497 0.000 1.033 356 F CB 1.870 40.298 39.000 -0.953 0.000 1.126 356 F HN 0.159 nan 8.300 nan 0.000 0.462 357 V N 2.707 122.561 119.914 -0.100 0.000 2.398 357 V HA 0.198 4.319 4.120 0.001 0.000 0.286 357 V C -0.433 175.824 176.094 0.271 0.000 1.026 357 V CA -0.879 61.450 62.300 0.049 0.000 0.868 357 V CB 1.570 33.403 31.823 0.016 0.000 0.982 357 V HN 0.550 nan 8.190 nan 0.000 0.443 358 D N 3.311 123.898 120.400 0.311 0.000 2.344 358 D HA 0.128 4.769 4.640 0.001 0.000 0.253 358 D C 0.762 177.129 176.300 0.111 0.000 1.255 358 D CA -0.110 54.088 54.000 0.329 0.000 0.894 358 D CB 1.058 42.006 40.800 0.247 0.000 1.067 358 D HN 0.597 nan 8.370 nan 0.000 0.492 359 C N 4.329 123.682 119.300 0.088 0.000 2.594 359 C HA 0.091 4.552 4.460 0.001 0.000 0.265 359 C C 2.352 177.312 174.990 -0.050 0.000 1.351 359 C CA -0.356 58.650 59.018 -0.021 0.000 1.744 359 C CB -0.402 27.341 27.740 0.005 0.000 1.890 359 C HN 0.663 nan 8.230 nan 0.000 0.551 360 K N 1.764 122.147 120.400 -0.029 0.000 2.009 360 K HA -0.175 4.146 4.320 0.001 0.000 0.210 360 K C 1.876 178.446 176.600 -0.050 0.000 1.049 360 K CA 1.484 57.748 56.287 -0.039 0.000 0.929 360 K CB -0.158 32.320 32.500 -0.037 0.000 0.714 360 K HN 0.510 nan 8.250 nan 0.000 0.440 361 K N 0.643 121.016 120.400 -0.046 0.000 2.360 361 K HA -0.118 4.203 4.320 0.001 0.000 0.201 361 K C 1.832 178.373 176.600 -0.098 0.000 1.046 361 K CA 0.945 57.202 56.287 -0.051 0.000 0.940 361 K CB -0.040 32.442 32.500 -0.030 0.000 0.748 361 K HN 0.190 nan 8.250 nan 0.000 0.465 362 L N -0.034 121.080 121.223 -0.182 0.000 2.463 362 L HA 0.064 4.405 4.340 0.001 0.000 0.219 362 L C 0.642 177.373 176.870 -0.232 0.000 1.088 362 L CA 0.040 54.674 54.840 -0.344 0.000 0.849 362 L CB 0.460 42.031 42.059 -0.814 0.000 1.012 362 L HN -0.060 nan 8.230 nan 0.000 0.468 363 V N -4.393 115.444 119.914 -0.128 0.000 2.502 363 V HA 0.323 4.443 4.120 0.001 0.000 0.261 363 V C -2.188 173.892 176.094 -0.023 0.000 0.996 363 V CA -1.130 61.150 62.300 -0.032 0.000 1.095 363 V CB 0.400 32.217 31.823 -0.011 0.000 1.325 363 V HN -0.100 nan 8.190 nan 0.000 0.574 364 P HA -0.196 nan 4.420 nan 0.000 0.216 364 P C 1.921 179.211 177.300 -0.016 0.000 1.150 364 P CA 1.687 64.776 63.100 -0.017 0.000 0.837 364 P CB 0.173 31.866 31.700 -0.011 0.000 0.786 365 Q N 0.155 119.950 119.800 -0.008 0.000 2.364 365 Q HA -0.108 4.233 4.340 0.001 0.000 0.209 365 Q C 0.456 176.442 176.000 -0.024 0.000 0.977 365 Q CA 1.092 56.887 55.803 -0.012 0.000 0.885 365 Q CB -0.852 27.885 28.738 -0.001 0.000 0.941 365 Q HN 0.298 nan 8.270 nan 0.000 0.464 366 I N 4.106 124.659 120.570 -0.028 0.000 2.312 366 I HA 0.299 4.470 4.170 0.001 0.000 0.290 366 I C -2.215 173.865 176.117 -0.061 0.000 1.008 366 I CA -2.578 58.693 61.300 -0.048 0.000 1.226 366 I CB 1.382 39.358 38.000 -0.040 0.000 1.371 366 I HN -0.044 nan 8.210 nan 0.000 0.468 367 P HA 0.133 nan 4.420 nan 0.000 0.276 367 P C 0.966 178.190 177.300 -0.126 0.000 1.244 367 P CA -0.269 62.779 63.100 -0.087 0.000 0.801 367 P CB 1.023 32.668 31.700 -0.091 0.000 1.006 368 G N 2.382 111.129 108.800 -0.087 0.000 2.574 368 G HA2 -0.331 3.630 3.960 0.001 0.000 0.220 368 G HA3 -0.331 3.630 3.960 0.001 0.000 0.220 368 G C 1.038 175.786 174.900 -0.254 0.000 1.173 368 G CA 1.380 46.426 45.100 -0.090 0.000 0.772 368 G HN 0.664 nan 8.290 nan 0.000 0.585 369 D N 0.305 120.527 120.400 -0.296 0.000 2.354 369 D HA -0.121 4.519 4.640 0.001 0.000 0.216 369 D C 1.878 177.618 176.300 -0.933 0.000 0.970 369 D CA 1.001 54.709 54.000 -0.486 0.000 0.905 369 D CB -0.425 40.239 40.800 -0.226 0.000 0.903 369 D HN 0.508 nan 8.370 nan 0.000 0.508 370 Q N -0.825 118.525 119.800 -0.750 0.000 2.219 370 Q HA 0.159 4.500 4.340 0.001 0.000 0.209 370 Q C -0.493 175.181 176.000 -0.543 0.000 0.854 370 Q CA -0.476 54.936 55.803 -0.652 0.000 0.960 370 Q CB 0.258 28.818 28.738 -0.297 0.000 1.116 370 Q HN 0.134 nan 8.270 nan 0.000 0.500 371 F N 0.465 120.343 119.950 -0.119 0.000 2.563 371 F HA -0.180 4.347 4.527 0.001 0.000 0.351 371 F C -1.731 174.025 175.800 -0.074 0.000 1.086 371 F CA 0.064 57.996 58.000 -0.114 0.000 1.174 371 F CB -1.283 37.569 39.000 -0.247 0.000 1.590 371 F HN 0.139 nan 8.300 nan 0.000 0.808 372 P HA -0.249 nan 4.420 nan 0.000 0.211 372 P C 1.703 179.044 177.300 0.068 0.000 1.179 372 P CA 2.487 65.608 63.100 0.036 0.000 0.910 372 P CB -0.003 31.698 31.700 0.002 0.000 0.785 373 A N 0.027 122.902 122.820 0.092 0.000 1.903 373 A HA -0.291 4.030 4.320 0.001 0.000 0.219 373 A C 2.500 180.154 177.584 0.117 0.000 1.191 373 A CA 2.751 54.852 52.037 0.108 0.000 0.638 373 A CB -1.807 17.279 19.000 0.143 0.000 0.823 373 A HN 0.203 nan 8.150 nan 0.000 0.451 374 Q N -0.515 119.362 119.800 0.127 0.000 2.167 374 Q HA 0.037 4.378 4.340 0.001 0.000 0.202 374 Q C 1.954 178.007 176.000 0.087 0.000 0.970 374 Q CA 1.848 57.707 55.803 0.094 0.000 0.855 374 Q CB -0.568 28.162 28.738 -0.014 0.000 0.911 374 Q HN 0.597 nan 8.270 nan 0.000 0.438 375 A N -0.945 121.926 122.820 0.086 0.000 1.968 375 A HA -0.042 4.279 4.320 0.001 0.000 0.217 375 A C 2.144 179.803 177.584 0.126 0.000 1.169 375 A CA 1.253 53.341 52.037 0.085 0.000 0.638 375 A CB -0.458 18.577 19.000 0.059 0.000 0.812 375 A HN 0.245 nan 8.150 nan 0.000 0.446 376 V N 0.292 120.282 119.914 0.127 0.000 2.270 376 V HA -0.261 3.860 4.120 0.001 0.000 0.245 376 V C 2.389 178.584 176.094 0.170 0.000 1.043 376 V CA 1.966 64.368 62.300 0.170 0.000 1.014 376 V CB -0.803 31.078 31.823 0.098 0.000 0.645 376 V HN 0.562 nan 8.190 nan 0.000 0.447 377 I N 0.838 121.492 120.570 0.141 0.000 2.145 377 I HA -0.308 3.863 4.170 0.001 0.000 0.244 377 I C 2.385 178.608 176.117 0.178 0.000 1.075 377 I CA 1.917 63.304 61.300 0.146 0.000 1.332 377 I CB -0.538 37.540 38.000 0.131 0.000 1.033 377 I HN 0.374 nan 8.210 nan 0.000 0.410 378 N N 0.847 119.652 118.700 0.174 0.000 2.188 378 N HA -0.108 4.633 4.740 0.001 0.000 0.184 378 N C 1.835 177.485 175.510 0.234 0.000 1.018 378 N CA 1.504 54.684 53.050 0.217 0.000 0.858 378 N CB -0.465 38.147 38.487 0.208 0.000 0.989 378 N HN 0.382 nan 8.380 nan 0.000 0.426 379 A N 0.966 123.894 122.820 0.180 0.000 1.858 379 A HA -0.098 4.223 4.320 0.001 0.000 0.216 379 A C 2.180 179.840 177.584 0.126 0.000 1.190 379 A CA 1.159 53.280 52.037 0.141 0.000 0.617 379 A CB -0.976 18.106 19.000 0.137 0.000 0.827 379 A HN 0.248 nan 8.150 nan 0.000 0.443 380 L N -1.459 119.854 121.223 0.150 0.000 2.013 380 L HA -0.221 4.120 4.340 0.001 0.000 0.212 380 L C 2.319 179.271 176.870 0.136 0.000 1.073 380 L CA 2.658 57.574 54.840 0.126 0.000 0.753 380 L CB -0.993 41.150 42.059 0.141 0.000 0.890 380 L HN 0.543 nan 8.230 nan 0.000 0.432 381 Y N -0.438 119.913 120.300 0.086 0.000 2.097 381 Y HA -0.257 4.293 4.550 0.001 0.000 0.282 381 Y C 2.310 178.259 175.900 0.082 0.000 1.152 381 Y CA 2.125 60.277 58.100 0.087 0.000 1.136 381 Y CB -0.353 38.156 38.460 0.080 0.000 0.975 381 Y HN 0.183 nan 8.280 nan 0.000 0.498 382 L N -0.139 121.132 121.223 0.080 0.000 2.131 382 L HA -0.199 4.142 4.340 0.001 0.000 0.210 382 L C 2.153 178.960 176.870 -0.104 0.000 1.092 382 L CA 1.575 56.395 54.840 -0.034 0.000 0.759 382 L CB -0.405 41.711 42.059 0.095 0.000 0.903 382 L HN 0.205 nan 8.230 nan 0.000 0.435 383 E N -0.634 119.529 120.200 -0.063 0.000 2.299 383 E HA -0.087 4.263 4.350 0.001 0.000 0.193 383 E C 1.868 178.419 176.600 -0.082 0.000 0.998 383 E CA 1.067 57.425 56.400 -0.071 0.000 0.851 383 E CB 0.260 29.921 29.700 -0.065 0.000 0.795 383 E HN 0.464 nan 8.360 nan 0.000 0.492 384 S N -3.664 111.993 115.700 -0.071 0.000 2.684 384 S HA 0.350 4.821 4.470 0.001 0.000 0.268 384 S C 1.508 176.187 174.600 0.131 0.000 1.075 384 S CA 0.175 58.409 58.200 0.057 0.000 1.184 384 S CB 0.950 64.203 63.200 0.088 0.000 1.129 384 S HN 0.248 nan 8.310 nan 0.000 0.630 385 G N 1.134 109.836 108.800 -0.163 0.000 2.175 385 G HA2 -0.225 3.736 3.960 0.001 0.000 0.244 385 G HA3 -0.225 3.736 3.960 0.001 0.000 0.244 385 G C 0.007 175.016 174.900 0.183 0.000 0.982 385 G CA -0.011 45.002 45.100 -0.144 0.000 0.641 385 G HN 0.797 nan 8.290 nan 0.000 0.527 386 V N 1.416 121.456 119.914 0.210 0.000 2.530 386 V HA 0.537 4.657 4.120 0.001 0.000 0.282 386 V C 0.853 177.087 176.094 0.234 0.000 1.048 386 V CA 0.062 62.473 62.300 0.185 0.000 0.997 386 V CB 1.443 33.361 31.823 0.158 0.000 0.987 386 V HN 0.527 nan 8.190 nan 0.000 0.477 387 R N 4.359 124.946 120.500 0.145 0.000 2.310 387 R HA 0.742 5.083 4.340 0.001 0.000 0.324 387 R C -0.452 175.871 176.300 0.038 0.000 0.955 387 R CA -0.214 55.958 56.100 0.121 0.000 0.830 387 R CB 1.295 31.632 30.300 0.062 0.000 1.154 387 R HN 0.792 nan 8.270 nan 0.000 0.458 388 A N 3.348 126.199 122.820 0.052 0.000 2.312 388 A HA 0.685 5.006 4.320 0.001 0.000 0.310 388 A C -1.278 176.327 177.584 0.035 0.000 1.139 388 A CA -0.766 51.281 52.037 0.017 0.000 0.886 388 A CB 2.025 21.033 19.000 0.013 0.000 1.350 388 A HN 0.507 nan 8.150 nan 0.000 0.479 389 V N 0.249 120.181 119.914 0.031 0.000 2.540 389 V HA 0.368 4.489 4.120 0.001 0.000 0.302 389 V C -0.276 175.884 176.094 0.110 0.000 1.035 389 V CA -0.645 61.711 62.300 0.094 0.000 0.873 389 V CB 1.596 33.486 31.823 0.111 0.000 0.992 389 V HN 0.934 nan 8.190 nan 0.000 0.428 390 E N 5.656 125.955 120.200 0.165 0.000 2.328 390 E HA 0.107 4.458 4.350 0.001 0.000 0.265 390 E C -0.837 175.855 176.600 0.153 0.000 1.057 390 E CA -0.130 56.375 56.400 0.175 0.000 0.916 390 E CB 0.711 30.554 29.700 0.239 0.000 0.993 390 E HN 0.467 nan 8.360 nan 0.000 0.446 391 I N 5.192 125.871 120.570 0.181 0.000 2.779 391 I HA 0.297 4.468 4.170 0.001 0.000 0.294 391 I C 0.627 176.845 176.117 0.168 0.000 1.241 391 I CA -0.160 61.254 61.300 0.189 0.000 1.069 391 I CB 0.223 38.406 38.000 0.306 0.000 1.772 391 I HN 0.530 nan 8.210 nan 0.000 0.582 392 G N 1.813 110.678 108.800 0.107 0.000 3.100 392 G HA2 0.266 4.226 3.960 0.001 0.000 0.174 392 G HA3 0.266 4.226 3.960 0.001 0.000 0.174 392 G C 0.780 175.735 174.900 0.092 0.000 1.136 392 G CA 0.537 45.689 45.100 0.086 0.000 0.881 392 G HN 0.231 nan 8.290 nan 0.000 0.616 393 S N -0.581 115.226 115.700 0.178 0.000 2.383 393 S HA -0.016 4.455 4.470 0.001 0.000 0.227 393 S C 2.131 176.969 174.600 0.397 0.000 1.026 393 S CA 1.717 60.068 58.200 0.251 0.000 0.981 393 S CB -0.401 62.943 63.200 0.239 0.000 0.818 393 S HN 0.391 nan 8.310 nan 0.000 0.472 394 F N 2.180 122.231 119.950 0.168 0.000 2.134 394 F HA 0.142 4.670 4.527 0.001 0.000 0.299 394 F C 1.901 177.615 175.800 -0.142 0.000 1.097 394 F CA 0.700 58.574 58.000 -0.210 0.000 1.264 394 F CB -0.850 37.818 39.000 -0.554 0.000 1.001 394 F HN 0.306 nan 8.300 nan 0.000 0.479 395 L N -0.653 120.487 121.223 -0.139 0.000 2.217 395 L HA -0.051 4.289 4.340 0.001 0.000 0.211 395 L C 2.063 178.750 176.870 -0.306 0.000 1.107 395 L CA 1.084 55.666 54.840 -0.431 0.000 0.783 395 L CB -0.828 41.034 42.059 -0.328 0.000 0.919 395 L HN 0.169 nan 8.230 nan 0.000 0.442 396 L N -0.044 121.120 121.223 -0.099 0.000 2.046 396 L HA 0.210 4.551 4.340 0.001 0.000 0.208 396 L C 1.277 178.113 176.870 -0.058 0.000 1.077 396 L CA 1.367 56.166 54.840 -0.067 0.000 0.747 396 L CB -0.882 41.166 42.059 -0.019 0.000 0.896 396 L HN 0.501 nan 8.230 nan 0.000 0.432 397 G N -1.128 107.672 108.800 -0.000 0.000 2.685 397 G HA2 -0.189 3.771 3.960 0.001 0.000 0.387 397 G HA3 -0.189 3.771 3.960 0.001 0.000 0.387 397 G C -0.413 174.526 174.900 0.065 0.000 1.324 397 G CA -0.302 44.812 45.100 0.023 0.000 0.878 397 G HN 0.345 nan 8.290 nan 0.000 0.527 398 R N -0.222 120.307 120.500 0.049 0.000 2.532 398 R HA 0.516 4.857 4.340 0.001 0.000 0.272 398 R C -0.708 175.603 176.300 0.019 0.000 1.032 398 R CA -0.611 55.516 56.100 0.045 0.000 1.089 398 R CB 0.980 31.297 30.300 0.029 0.000 1.098 398 R HN 0.565 nan 8.270 nan 0.000 0.526 399 D N 1.857 122.269 120.400 0.020 0.000 2.317 399 D HA 0.150 4.791 4.640 0.001 0.000 0.234 399 D C -1.587 174.714 176.300 0.002 0.000 1.112 399 D CA -2.412 51.594 54.000 0.009 0.000 0.840 399 D CB 1.441 42.249 40.800 0.013 0.000 1.078 399 D HN 0.158 nan 8.370 nan 0.000 0.486 400 P HA -0.156 nan 4.420 nan 0.000 0.219 400 P C 1.017 178.313 177.300 -0.006 0.000 1.146 400 P CA 0.871 63.967 63.100 -0.008 0.000 0.808 400 P CB 0.211 31.904 31.700 -0.011 0.000 0.779 401 A N 0.525 123.343 122.820 -0.003 0.000 1.865 401 A HA -0.170 4.150 4.320 0.001 0.000 0.217 401 A C 2.222 179.805 177.584 -0.002 0.000 1.191 401 A CA 3.130 55.165 52.037 -0.002 0.000 0.623 401 A CB -1.651 17.348 19.000 -0.001 0.000 0.826 401 A HN 0.393 nan 8.150 nan 0.000 0.444 402 T N -5.386 109.169 114.554 0.001 0.000 3.000 402 T HA 0.446 4.797 4.350 0.001 0.000 0.248 402 T C 1.361 176.063 174.700 0.003 0.000 1.034 402 T CA 1.065 63.166 62.100 0.002 0.000 1.060 402 T CB 0.392 69.263 68.868 0.004 0.000 0.983 402 T HN 1.798 nan 8.240 nan 0.000 0.482 403 G N 1.326 110.129 108.800 0.004 0.000 2.132 403 G HA2 -0.197 3.764 3.960 0.001 0.000 0.228 403 G HA3 -0.197 3.764 3.960 0.001 0.000 0.228 403 G C -0.280 174.631 174.900 0.019 0.000 1.000 403 G CA -0.065 45.037 45.100 0.004 0.000 0.693 403 G HN 0.647 nan 8.290 nan 0.000 0.515 404 E N 0.130 120.344 120.200 0.023 0.000 2.259 404 E HA 0.519 4.870 4.350 0.001 0.000 0.281 404 E C 0.598 177.229 176.600 0.052 0.000 1.027 404 E CA -0.610 55.809 56.400 0.032 0.000 0.838 404 E CB 0.722 30.436 29.700 0.023 0.000 1.066 404 E HN 0.287 nan 8.360 nan 0.000 0.401 405 Q N 4.057 123.900 119.800 0.071 0.000 2.283 405 Q HA -0.010 4.331 4.340 0.001 0.000 0.269 405 Q C -0.645 175.408 176.000 0.088 0.000 1.187 405 Q CA 0.465 56.331 55.803 0.104 0.000 0.922 405 Q CB -0.048 28.762 28.738 0.121 0.000 1.323 405 Q HN 0.351 nan 8.270 nan 0.000 0.432 406 K N 2.604 123.052 120.400 0.080 0.000 2.508 406 K HA -0.130 4.191 4.320 0.001 0.000 0.273 406 K C 0.025 176.682 176.600 0.095 0.000 0.964 406 K CA 0.290 56.620 56.287 0.072 0.000 0.948 406 K CB 0.222 32.747 32.500 0.042 0.000 0.917 406 K HN 0.725 nan 8.250 nan 0.000 0.512 407 H N 0.919 119.989 119.070 0.001 0.000 2.552 407 H HA 0.328 4.885 4.556 0.001 0.000 0.311 407 H C -1.215 174.102 175.328 -0.019 0.000 1.071 407 H CA -0.694 55.346 56.048 -0.012 0.000 1.307 407 H CB 1.094 30.840 29.762 -0.026 0.000 1.416 407 H HN 0.609 nan 8.280 nan 0.000 0.464 408 A N 4.368 126.908 122.820 -0.466 0.000 2.331 408 A HA 0.103 4.424 4.320 0.001 0.000 0.283 408 A C 1.015 178.128 177.584 -0.786 0.000 1.142 408 A CA -0.348 51.407 52.037 -0.470 0.000 0.812 408 A CB 0.318 19.193 19.000 -0.209 0.000 1.074 408 A HN 0.945 nan 8.150 nan 0.000 0.497 409 D N 1.367 121.429 120.400 -0.563 0.000 2.349 409 D HA 0.055 4.696 4.640 0.001 0.000 0.215 409 D C -0.221 175.915 176.300 -0.272 0.000 1.016 409 D CA 0.410 54.186 54.000 -0.374 0.000 0.870 409 D CB 0.148 40.801 40.800 -0.244 0.000 0.917 409 D HN 0.296 nan 8.370 nan 0.000 0.524 410 M N 1.028 120.427 119.600 -0.334 0.000 2.378 410 M HA 0.246 4.727 4.480 0.001 0.000 0.289 410 M C -1.127 174.960 176.300 -0.355 0.000 1.136 410 M CA -0.601 54.417 55.300 -0.470 0.000 0.917 410 M CB 2.602 34.676 32.600 -0.876 0.000 1.669 410 M HN -0.217 nan 8.290 nan 0.000 0.461 411 E N 2.692 122.730 120.200 -0.269 0.000 2.751 411 E HA 0.339 4.690 4.350 0.001 0.000 0.219 411 E C -1.091 175.542 176.600 0.055 0.000 1.060 411 E CA -0.161 56.197 56.400 -0.071 0.000 0.893 411 E CB 0.539 30.227 29.700 -0.020 0.000 1.300 411 E HN 0.306 nan 8.360 nan 0.000 0.433 412 F N 1.202 121.200 119.950 0.081 0.000 2.371 412 F HA 0.391 4.919 4.527 0.001 0.000 0.329 412 F C 0.725 176.572 175.800 0.078 0.000 1.107 412 F CA -1.086 56.979 58.000 0.108 0.000 1.137 412 F CB 0.898 40.026 39.000 0.212 0.000 1.214 412 F HN 0.173 nan 8.300 nan 0.000 0.536 413 M N 4.237 123.990 119.600 0.255 0.000 2.125 413 M HA 0.390 4.870 4.480 0.001 0.000 0.321 413 M C -0.833 175.405 176.300 -0.104 0.000 0.983 413 M CA -0.495 54.853 55.300 0.079 0.000 0.934 413 M CB 1.053 33.688 32.600 0.059 0.000 1.542 413 M HN 0.605 nan 8.290 nan 0.000 0.424 414 R N 5.187 125.569 120.500 -0.197 0.000 2.254 414 R HA 0.501 4.842 4.340 0.001 0.000 0.318 414 R C -1.507 174.582 176.300 -0.352 0.000 1.031 414 R CA -0.382 55.394 56.100 -0.541 0.000 0.905 414 R CB 0.736 30.689 30.300 -0.578 0.000 1.050 414 R HN 0.822 nan 8.270 nan 0.000 0.456 415 L N 5.275 126.261 121.223 -0.395 0.000 2.321 415 L HA 0.287 4.627 4.340 0.001 0.000 0.272 415 L C -0.317 176.417 176.870 -0.226 0.000 1.050 415 L CA -0.573 54.133 54.840 -0.222 0.000 0.893 415 L CB 1.370 43.334 42.059 -0.158 0.000 1.272 415 L HN 0.655 nan 8.230 nan 0.000 0.435 416 T N 2.408 116.864 114.554 -0.164 0.000 2.780 416 T HA 0.482 4.833 4.350 0.001 0.000 0.294 416 T C 0.103 174.795 174.700 -0.014 0.000 0.949 416 T CA -0.498 61.544 62.100 -0.096 0.000 1.074 416 T CB 1.524 70.388 68.868 -0.007 0.000 0.910 416 T HN 0.100 nan 8.240 nan 0.000 0.501 417 I N 2.599 123.183 120.570 0.023 0.000 2.339 417 I HA 0.479 4.650 4.170 0.001 0.000 0.290 417 I C 0.800 177.002 176.117 0.141 0.000 0.994 417 I CA -1.492 59.859 61.300 0.085 0.000 1.191 417 I CB 0.328 38.363 38.000 0.058 0.000 1.343 417 I HN 0.754 nan 8.210 nan 0.000 0.458 418 A N 7.592 130.521 122.820 0.180 0.000 2.425 418 A HA 0.424 4.745 4.320 0.001 0.000 0.242 418 A C 0.433 178.099 177.584 0.136 0.000 1.077 418 A CA -0.371 51.749 52.037 0.139 0.000 0.781 418 A CB 0.272 19.335 19.000 0.105 0.000 1.020 418 A HN 0.708 nan 8.150 nan 0.000 0.494 419 R N 0.909 121.479 120.500 0.116 0.000 2.340 419 R HA 0.434 4.774 4.340 0.001 0.000 0.300 419 R C 0.057 176.436 176.300 0.132 0.000 1.069 419 R CA -0.404 55.802 56.100 0.177 0.000 0.984 419 R CB 0.509 30.937 30.300 0.213 0.000 1.003 419 R HN 0.817 nan 8.270 nan 0.000 0.459 420 R N 0.466 121.115 120.500 0.248 0.000 3.770 420 R HA -0.195 4.146 4.340 0.001 0.000 0.305 420 R C 0.299 176.627 176.300 0.047 0.000 1.184 420 R CA 0.470 56.675 56.100 0.174 0.000 0.823 420 R CB -2.198 27.969 30.300 -0.222 0.000 1.285 420 R HN 0.457 nan 8.270 nan 0.000 0.499 421 V N -1.320 118.598 119.914 0.006 0.000 2.908 421 V HA 0.107 4.228 4.120 0.001 0.000 0.240 421 V C 0.573 176.465 176.094 -0.337 0.000 1.117 421 V CA 1.165 63.306 62.300 -0.264 0.000 1.133 421 V CB 0.019 31.523 31.823 -0.533 0.000 0.857 421 V HN 0.161 nan 8.190 nan 0.000 0.478 422 Y N 0.930 121.307 120.300 0.128 0.000 2.487 422 Y HA 0.567 5.117 4.550 0.001 0.000 0.337 422 Y C 0.827 176.942 175.900 0.358 0.000 1.076 422 Y CA -0.973 57.234 58.100 0.179 0.000 1.115 422 Y CB 1.253 39.718 38.460 0.009 0.000 1.235 422 Y HN 0.128 nan 8.280 nan 0.000 0.468 423 T N -2.503 112.473 114.554 0.702 0.000 2.884 423 T HA 0.219 4.570 4.350 0.001 0.000 0.277 423 T C 0.823 175.655 174.700 0.220 0.000 0.976 423 T CA -0.759 61.532 62.100 0.318 0.000 0.956 423 T CB 0.753 69.685 68.868 0.107 0.000 1.113 423 T HN 0.518 nan 8.240 nan 0.000 0.554 424 N N 0.778 119.535 118.700 0.095 0.000 2.289 424 N HA -0.094 4.647 4.740 0.001 0.000 0.184 424 N C 1.283 176.848 175.510 0.091 0.000 1.016 424 N CA 0.929 53.989 53.050 0.016 0.000 0.872 424 N CB -0.458 37.885 38.487 -0.241 0.000 0.973 424 N HN 0.590 nan 8.380 nan 0.000 0.433 425 D N -0.156 120.260 120.400 0.026 0.000 2.144 425 D HA -0.084 4.557 4.640 0.001 0.000 0.200 425 D C 1.571 177.908 176.300 0.062 0.000 0.978 425 D CA 0.899 54.913 54.000 0.023 0.000 0.833 425 D CB -0.269 40.491 40.800 -0.066 0.000 0.961 425 D HN 0.498 nan 8.370 nan 0.000 0.470 426 H N -0.416 118.736 119.070 0.136 0.000 2.389 426 H HA -0.025 4.532 4.556 0.001 0.000 0.299 426 H C 2.057 177.447 175.328 0.104 0.000 1.081 426 H CA 0.787 56.883 56.048 0.081 0.000 1.345 426 H CB 0.164 29.944 29.762 0.030 0.000 1.393 426 H HN -0.008 nan 8.280 nan 0.000 0.520 427 M N 0.506 120.255 119.600 0.248 0.000 2.086 427 M HA -0.165 4.315 4.480 0.001 0.000 0.261 427 M C 1.465 177.891 176.300 0.210 0.000 1.067 427 M CA 1.296 56.722 55.300 0.211 0.000 1.116 427 M CB -0.600 32.176 32.600 0.292 0.000 1.348 427 M HN 0.262 nan 8.290 nan 0.000 0.407 428 D N -1.028 119.528 120.400 0.260 0.000 2.182 428 D HA -0.195 4.445 4.640 0.001 0.000 0.201 428 D C 1.919 178.318 176.300 0.165 0.000 0.986 428 D CA 1.056 55.171 54.000 0.191 0.000 0.847 428 D CB -0.365 40.550 40.800 0.193 0.000 0.942 428 D HN 0.439 nan 8.370 nan 0.000 0.467 429 Y N 1.093 121.446 120.300 0.090 0.000 2.200 429 Y HA -0.117 4.433 4.550 0.001 0.000 0.290 429 Y C 2.170 178.108 175.900 0.064 0.000 1.137 429 Y CA 1.127 59.284 58.100 0.095 0.000 1.163 429 Y CB -0.208 38.350 38.460 0.164 0.000 0.988 429 Y HN -0.109 nan 8.280 nan 0.000 0.518 430 I N -0.105 120.614 120.570 0.249 0.000 2.202 430 I HA -0.304 3.867 4.170 0.001 0.000 0.242 430 I C 2.679 178.809 176.117 0.022 0.000 1.091 430 I CA 1.257 62.628 61.300 0.119 0.000 1.368 430 I CB -0.796 37.243 38.000 0.065 0.000 1.058 430 I HN 0.289 nan 8.210 nan 0.000 0.410 431 A N 0.730 123.557 122.820 0.011 0.000 1.858 431 A HA -0.235 4.086 4.320 0.001 0.000 0.216 431 A C 1.985 179.547 177.584 -0.036 0.000 1.190 431 A CA 2.121 54.144 52.037 -0.023 0.000 0.617 431 A CB -0.723 18.243 19.000 -0.056 0.000 0.827 431 A HN 0.366 nan 8.150 nan 0.000 0.443 432 D N 0.299 120.668 120.400 -0.053 0.000 2.123 432 D HA -0.113 4.527 4.640 0.001 0.000 0.196 432 D C 2.189 178.415 176.300 -0.123 0.000 0.992 432 D CA 1.614 55.564 54.000 -0.083 0.000 0.833 432 D CB -0.566 40.178 40.800 -0.093 0.000 0.954 432 D HN 0.445 nan 8.370 nan 0.000 0.455 433 A N 0.792 123.502 122.820 -0.184 0.000 1.902 433 A HA -0.149 4.172 4.320 0.001 0.000 0.217 433 A C 2.155 179.694 177.584 -0.076 0.000 1.181 433 A CA 1.025 52.953 52.037 -0.181 0.000 0.623 433 A CB -0.689 18.182 19.000 -0.214 0.000 0.818 433 A HN 0.226 nan 8.150 nan 0.000 0.443 434 L N -0.296 120.918 121.223 -0.015 0.000 2.141 434 L HA 0.027 4.368 4.340 0.001 0.000 0.209 434 L C 2.050 178.973 176.870 0.088 0.000 1.094 434 L CA 1.426 56.310 54.840 0.073 0.000 0.763 434 L CB -0.391 41.723 42.059 0.093 0.000 0.908 434 L HN 0.424 nan 8.230 nan 0.000 0.437 435 I N -0.925 119.658 120.570 0.022 0.000 2.676 435 I HA -0.103 4.068 4.170 0.001 0.000 0.259 435 I C 2.154 178.245 176.117 -0.043 0.000 1.194 435 I CA 0.938 62.249 61.300 0.019 0.000 1.473 435 I CB -0.637 37.359 38.000 -0.006 0.000 1.096 435 I HN 0.373 nan 8.210 nan 0.000 0.443 436 G N 0.411 109.157 108.800 -0.090 0.000 2.650 436 G HA2 -0.023 3.938 3.960 0.001 0.000 0.214 436 G HA3 -0.023 3.938 3.960 0.001 0.000 0.214 436 G C 1.539 176.308 174.900 -0.218 0.000 1.136 436 G CA 0.042 45.064 45.100 -0.131 0.000 0.789 436 G HN 0.267 nan 8.290 nan 0.000 0.536 437 L N -0.586 120.435 121.223 -0.337 0.000 2.375 437 L HA 0.132 4.473 4.340 0.001 0.000 0.215 437 L C 2.634 178.859 176.870 -1.075 0.000 1.108 437 L CA 0.194 54.608 54.840 -0.710 0.000 0.830 437 L CB -0.177 41.354 42.059 -0.880 0.000 0.959 437 L HN 0.161 nan 8.230 nan 0.000 0.457 438 K N 0.440 120.456 120.400 -0.640 0.000 2.097 438 K HA -0.262 4.059 4.320 0.001 0.000 0.214 438 K C 1.922 178.417 176.600 -0.176 0.000 1.052 438 K CA 1.949 58.103 56.287 -0.223 0.000 0.932 438 K CB -0.061 32.457 32.500 0.031 0.000 0.716 438 K HN 0.304 nan 8.250 nan 0.000 0.455 439 E N 0.541 120.633 120.200 -0.180 0.000 2.110 439 E HA -0.177 4.173 4.350 0.001 0.000 0.193 439 E C 1.715 178.243 176.600 -0.120 0.000 0.988 439 E CA 1.205 57.541 56.400 -0.107 0.000 0.804 439 E CB -0.035 29.609 29.700 -0.094 0.000 0.745 439 E HN 0.384 nan 8.360 nan 0.000 0.458 440 K N -0.116 120.146 120.400 -0.230 0.000 2.365 440 K HA 0.029 4.350 4.320 0.001 0.000 0.197 440 K C 1.926 178.470 176.600 -0.093 0.000 1.042 440 K CA 0.120 56.303 56.287 -0.173 0.000 0.987 440 K CB -0.069 32.304 32.500 -0.211 0.000 0.779 440 K HN 0.011 nan 8.250 nan 0.000 0.484 441 F N 1.864 121.815 119.950 0.001 0.000 2.095 441 F HA -0.223 4.305 4.527 0.001 0.000 0.298 441 F C 2.612 178.412 175.800 0.001 0.000 1.104 441 F CA 1.178 59.180 58.000 0.004 0.000 1.232 441 F CB -1.167 37.837 39.000 0.006 0.000 0.987 441 F HN 0.023 nan 8.300 nan 0.000 0.475 442 A N -0.155 122.771 122.820 0.177 0.000 1.927 442 A HA -0.267 4.054 4.320 0.001 0.000 0.220 442 A C 2.091 179.711 177.584 0.060 0.000 1.185 442 A CA 2.533 54.627 52.037 0.094 0.000 0.639 442 A CB -1.593 17.442 19.000 0.060 0.000 0.820 442 A HN 0.439 nan 8.150 nan 0.000 0.451 443 T N -2.399 112.180 114.554 0.043 0.000 3.317 443 T HA 0.436 4.787 4.350 0.001 0.000 0.250 443 T C 0.289 175.007 174.700 0.031 0.000 1.106 443 T CA -0.212 61.902 62.100 0.024 0.000 0.986 443 T CB -0.650 68.222 68.868 0.005 0.000 1.010 443 T HN 0.220 nan 8.240 nan 0.000 0.560 444 L N 1.342 122.601 121.223 0.059 0.000 2.349 444 L HA 0.370 4.710 4.340 0.001 0.000 0.275 444 L C 1.150 178.036 176.870 0.026 0.000 1.115 444 L CA -0.694 54.181 54.840 0.059 0.000 0.820 444 L CB 1.194 43.322 42.059 0.115 0.000 1.135 444 L HN 0.074 nan 8.230 nan 0.000 0.445 445 K N 2.408 122.810 120.400 0.005 0.000 2.017 445 K HA 0.392 4.713 4.320 0.001 0.000 0.207 445 K C 0.482 177.059 176.600 -0.038 0.000 1.035 445 K CA 0.583 56.858 56.287 -0.021 0.000 0.947 445 K CB -0.202 32.275 32.500 -0.038 0.000 0.749 445 K HN 0.766 nan 8.250 nan 0.000 0.443 446 G N -0.505 108.265 108.800 -0.048 0.000 2.375 446 G HA2 0.187 4.148 3.960 0.001 0.000 0.663 446 G HA3 0.187 4.148 3.960 0.001 0.000 0.663 446 G C -1.710 173.134 174.900 -0.094 0.000 1.391 446 G CA -1.104 43.952 45.100 -0.074 0.000 0.949 446 G HN 0.031 nan 8.290 nan 0.000 0.646 447 L N 0.217 121.386 121.223 -0.090 0.000 2.303 447 L HA 0.820 5.161 4.340 0.001 0.000 0.266 447 L C 0.568 177.375 176.870 -0.106 0.000 1.011 447 L CA -0.862 53.916 54.840 -0.103 0.000 0.818 447 L CB 2.012 44.004 42.059 -0.112 0.000 1.326 447 L HN 0.769 nan 8.230 nan 0.000 0.435 448 E N -0.208 119.929 120.200 -0.105 0.000 2.281 448 E HA 0.489 4.839 4.350 0.001 0.000 0.257 448 E C -1.539 175.028 176.600 -0.055 0.000 0.971 448 E CA -0.845 55.523 56.400 -0.053 0.000 0.839 448 E CB 1.560 31.256 29.700 -0.006 0.000 1.238 448 E HN 0.250 nan 8.360 nan 0.000 0.412 449 F N 1.457 121.466 119.950 0.099 0.000 2.410 449 F HA 0.117 4.645 4.527 0.001 0.000 0.349 449 F C 1.417 177.275 175.800 0.097 0.000 1.117 449 F CA 0.020 58.081 58.000 0.100 0.000 1.104 449 F CB 1.193 40.254 39.000 0.101 0.000 1.122 449 F HN 0.536 nan 8.300 nan 0.000 0.483 450 E N 3.489 123.895 120.200 0.344 0.000 2.276 450 E HA -0.068 4.283 4.350 0.001 0.000 0.193 450 E C -0.971 175.827 176.600 0.330 0.000 0.983 450 E CA 0.549 57.113 56.400 0.274 0.000 0.861 450 E CB 0.465 30.311 29.700 0.244 0.000 0.817 450 E HN 0.569 nan 8.360 nan 0.000 0.485 451 Y N 0.311 120.746 120.300 0.224 0.000 2.333 451 Y HA 0.307 4.858 4.550 0.001 0.000 0.319 451 Y C -2.024 173.951 175.900 0.124 0.000 1.200 451 Y CA -0.924 57.258 58.100 0.138 0.000 1.084 451 Y CB 1.095 39.622 38.460 0.111 0.000 1.268 451 Y HN -0.089 nan 8.280 nan 0.000 0.422 452 E N 8.568 128.336 120.200 -0.720 0.000 2.199 452 E HA 0.563 4.913 4.350 0.001 0.000 0.265 452 E C -2.920 173.157 176.600 -0.872 0.000 0.882 452 E CA -2.339 53.536 56.400 -0.876 0.000 0.759 452 E CB 2.187 31.060 29.700 -1.379 0.000 1.148 452 E HN 0.459 nan 8.360 nan 0.000 0.412 453 P HA 0.316 nan 4.420 nan 0.000 0.285 453 P C -2.264 174.891 177.300 -0.242 0.000 1.269 453 P CA -1.569 61.300 63.100 -0.386 0.000 0.844 453 P CB 1.306 32.883 31.700 -0.205 0.000 1.094 454 P HA 0.032 nan 4.420 nan 0.000 0.229 454 P C 0.097 177.350 177.300 -0.078 0.000 1.160 454 P CA 0.630 63.665 63.100 -0.108 0.000 0.777 454 P CB 0.588 32.245 31.700 -0.072 0.000 0.814 455 V N -0.182 119.688 119.914 -0.073 0.000 3.147 455 V HA 0.181 4.302 4.120 0.001 0.000 0.299 455 V C 0.167 176.217 176.094 -0.074 0.000 1.302 455 V CA -0.856 61.411 62.300 -0.055 0.000 1.015 455 V CB 2.043 33.845 31.823 -0.035 0.000 1.086 455 V HN -0.125 nan 8.190 nan 0.000 0.437 456 L N 2.345 123.499 121.223 -0.115 0.000 4.089 456 L HA -0.232 4.109 4.340 0.001 0.000 0.408 456 L C 1.849 178.515 176.870 -0.340 0.000 1.184 456 L CA 1.097 55.797 54.840 -0.233 0.000 0.947 456 L CB -1.160 40.888 42.059 -0.018 0.000 2.066 456 L HN 0.870 nan 8.230 nan 0.000 0.851 457 R N 1.214 121.566 120.500 -0.247 0.000 2.122 457 R HA -0.227 4.113 4.340 0.001 0.000 0.236 457 R C 2.240 178.343 176.300 -0.329 0.000 1.129 457 R CA 2.761 58.757 56.100 -0.174 0.000 0.925 457 R CB -0.324 29.928 30.300 -0.079 0.000 0.850 457 R HN 0.796 nan 8.270 nan 0.000 0.431 458 H N -2.015 116.573 119.070 -0.803 0.000 2.390 458 H HA -0.124 4.433 4.556 0.001 0.000 0.298 458 H C 1.817 176.823 175.328 -0.536 0.000 1.106 458 H CA 1.510 56.878 56.048 -1.133 0.000 1.297 458 H CB -0.479 28.629 29.762 -1.089 0.000 1.375 458 H HN 0.204 nan 8.280 nan 0.000 0.509 459 F N 1.386 120.892 119.950 -0.741 0.000 2.163 459 F HA -0.049 4.479 4.527 0.001 0.000 0.297 459 F C 2.356 178.055 175.800 -0.169 0.000 1.094 459 F CA 1.587 59.227 58.000 -0.600 0.000 1.290 459 F CB -0.540 38.029 39.000 -0.718 0.000 1.017 459 F HN 0.416 nan 8.300 nan 0.000 0.483 460 T N -3.190 111.410 114.554 0.075 0.000 3.003 460 T HA 0.564 4.915 4.350 0.001 0.000 0.261 460 T C 0.768 175.644 174.700 0.294 0.000 1.003 460 T CA 0.152 62.362 62.100 0.184 0.000 0.917 460 T CB -0.478 68.496 68.868 0.176 0.000 1.084 460 T HN 0.131 nan 8.240 nan 0.000 0.522 461 A N 2.800 125.791 122.820 0.286 0.000 2.511 461 A HA 0.462 4.783 4.320 0.001 0.000 0.242 461 A C 0.442 178.309 177.584 0.470 0.000 1.069 461 A CA -0.378 51.911 52.037 0.419 0.000 0.763 461 A CB 0.186 19.593 19.000 0.678 0.000 1.001 461 A HN 0.389 nan 8.150 nan 0.000 0.498 462 R N 1.871 122.677 120.500 0.511 0.000 2.349 462 R HA 0.610 4.951 4.340 0.001 0.000 0.299 462 R C -0.829 175.690 176.300 0.366 0.000 1.027 462 R CA -0.191 56.149 56.100 0.399 0.000 0.958 462 R CB 0.602 31.130 30.300 0.380 0.000 1.047 462 R HN 0.686 nan 8.270 nan 0.000 0.468 463 L N 1.786 123.157 121.223 0.245 0.000 2.327 463 L HA 0.622 4.962 4.340 0.001 0.000 0.258 463 L C -0.441 176.514 176.870 0.141 0.000 1.024 463 L CA -1.215 53.680 54.840 0.092 0.000 0.825 463 L CB 2.135 44.105 42.059 -0.148 0.000 1.386 463 L HN 0.561 nan 8.230 nan 0.000 0.417 464 K N -0.139 120.242 120.400 -0.033 0.000 2.502 464 K HA 0.642 4.963 4.320 0.001 0.000 0.257 464 K C -3.053 173.357 176.600 -0.317 0.000 0.938 464 K CA -1.865 54.296 56.287 -0.209 0.000 0.819 464 K CB 2.175 34.650 32.500 -0.042 0.000 1.333 464 K HN 0.133 nan 8.250 nan 0.000 0.434 465 P HA 0.123 nan 4.420 nan 0.000 0.272 465 P C -0.406 176.788 177.300 -0.176 0.000 1.223 465 P CA -0.258 62.649 63.100 -0.321 0.000 0.784 465 P CB 0.742 32.222 31.700 -0.366 0.000 0.923 466 I N 0.000 120.498 120.570 -0.121 0.000 2.984 466 I HA 0.000 4.171 4.170 0.001 0.000 0.288 466 I CA 0.000 61.253 61.300 -0.079 0.000 1.566 466 I CB 0.000 37.957 38.000 -0.071 0.000 1.214 466 I HN 0.000 nan 8.210 nan 0.000 0.494