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 2q6n_1_D DATA FIRST_RESID 28 DATA SEQUENCE GKLPPGPSPL PVLGNLLQMD RKGLLRSFLR LREKYGDVFT VYLGSRPVVV DATA SEQUENCE LCGTDAIREA LVDQAEAFSG RGKIAVVDPI FQGYGVIFAN GERWRALRRF DATA SEQUENCE SLATMRDFGM GKRSVEERIQ EEARCLVEEL RKSKGALLDN TLLFHSITSN DATA SEQUENCE IICSIVFGKR FDYKDPVFLR LLDLFFQSFS LISSFSSQVF ELFSGFLKYF DATA SEQUENCE PGTHRQIYRN LQEINTFIGQ SVEKHRATLD PSNPRDFIDV YLLRMEKDKS DATA SEQUENCE DPSSEFHHQN LILTVLSLFF AGTETTSTTL RYGFLLMLKY PHVTERVQKE DATA SEQUENCE IEQVIGSHRP PALDDRAKMP YTDAVIHEIQ RLGDLIPFGV PHTVTKDTQF DATA SEQUENCE RGYVIPKNTE VFPVLSSALH DPRYFETPNT FNPGHFLDAN GALKRNEGFM DATA SEQUENCE PFSLGKRICL GEGIARTELF LFFTTILQNF SIASPVPPED IDLTPRESGV DATA SEQUENCE GNVPPSYQIR FLARH 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 28 G C 0.000 174.989 174.900 0.148 0.000 0.946 28 G CA 0.000 45.150 45.100 0.083 0.000 0.502 29 K N -1.224 119.249 120.400 0.121 0.000 1.540 29 K HA -0.227 4.092 4.320 -0.001 0.000 0.692 29 K C -0.840 175.845 176.600 0.141 0.000 1.812 29 K CA 0.498 56.860 56.287 0.125 0.000 1.347 29 K CB -0.681 31.899 32.500 0.134 0.000 2.262 29 K HN 0.257 nan 8.250 nan 0.000 0.565 30 L N 0.988 122.245 121.223 0.057 0.000 2.399 30 L HA 0.440 4.779 4.340 -0.001 0.000 0.265 30 L C -1.821 174.888 176.870 -0.268 0.000 1.089 30 L CA -2.513 52.302 54.840 -0.041 0.000 0.802 30 L CB 1.230 43.269 42.059 -0.033 0.000 1.180 30 L HN 0.652 nan 8.230 nan 0.000 0.454 31 P HA -0.019 nan 4.420 nan 0.000 0.270 31 P C -2.481 174.543 177.300 -0.459 0.000 1.221 31 P CA -0.538 61.948 63.100 -1.024 0.000 0.788 31 P CB -0.250 31.063 31.700 -0.644 0.000 0.904 32 P HA 0.254 nan 4.420 nan 0.000 0.272 32 P C -0.217 176.973 177.300 -0.182 0.000 1.230 32 P CA 0.353 63.406 63.100 -0.079 0.000 0.788 32 P CB 0.708 32.474 31.700 0.111 0.000 0.949 33 G N 0.922 109.524 108.800 -0.329 0.000 2.356 33 G HA2 0.382 4.341 3.960 -0.001 0.000 0.294 33 G HA3 0.382 4.341 3.960 -0.001 0.000 0.294 33 G C -3.300 171.301 174.900 -0.499 0.000 1.423 33 G CA -0.899 43.754 45.100 -0.745 0.000 0.806 33 G HN 0.409 nan 8.290 nan 0.000 0.527 34 P HA 0.265 nan 4.420 nan 0.000 0.267 34 P C 0.223 177.528 177.300 0.008 0.000 1.200 34 P CA 0.109 63.202 63.100 -0.012 0.000 0.772 34 P CB 1.269 33.007 31.700 0.063 0.000 0.855 35 S N 3.204 118.920 115.700 0.027 0.000 2.481 35 S HA 0.184 4.654 4.470 -0.001 0.000 0.282 35 S C -1.977 172.586 174.600 -0.061 0.000 1.243 35 S CA -1.125 57.060 58.200 -0.025 0.000 1.078 35 S CB -0.719 62.477 63.200 -0.006 0.000 0.916 35 S HN 0.277 nan 8.310 nan 0.000 0.495 36 P HA 0.278 nan 4.420 nan 0.000 0.291 36 P C -0.911 176.279 177.300 -0.184 0.000 1.340 36 P CA -0.688 62.275 63.100 -0.229 0.000 0.799 36 P CB 0.671 31.966 31.700 -0.676 0.000 0.917 37 L N 6.638 127.814 121.223 -0.079 0.000 2.467 37 L HA 0.283 4.623 4.340 -0.001 0.000 0.270 37 L C -1.872 174.962 176.870 -0.060 0.000 1.205 37 L CA -1.243 53.562 54.840 -0.058 0.000 0.828 37 L CB -1.035 41.011 42.059 -0.021 0.000 1.101 37 L HN 0.284 nan 8.230 nan 0.000 0.479 38 P HA 0.237 nan 4.420 nan 0.000 0.272 38 P C 0.648 177.942 177.300 -0.010 0.000 1.223 38 P CA -0.096 62.981 63.100 -0.038 0.000 0.784 38 P CB 0.985 32.661 31.700 -0.040 0.000 0.923 39 V N 0.349 120.276 119.914 0.021 0.000 0.481 39 V HA -0.340 3.780 4.120 -0.001 0.000 0.092 39 V C 1.757 177.902 176.094 0.086 0.000 2.400 39 V CA 2.319 64.638 62.300 0.031 0.000 3.646 39 V CB -1.958 29.842 31.823 -0.038 0.000 0.927 39 V HN 0.539 nan 8.190 nan 0.000 0.973 40 L N -0.108 121.153 121.223 0.063 0.000 2.375 40 L HA 0.483 4.822 4.340 -0.001 0.000 0.215 40 L C 1.744 178.757 176.870 0.238 0.000 1.108 40 L CA 0.990 55.922 54.840 0.153 0.000 0.830 40 L CB -0.506 41.584 42.059 0.052 0.000 0.959 40 L HN 0.889 nan 8.230 nan 0.000 0.457 41 G N 1.350 110.237 108.800 0.144 0.000 2.566 41 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.280 41 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.280 41 G C 0.097 175.072 174.900 0.126 0.000 1.225 41 G CA 0.401 45.591 45.100 0.151 0.000 0.966 41 G HN 0.493 nan 8.290 nan 0.000 0.560 42 N N 0.964 119.759 118.700 0.158 0.000 3.091 42 N HA 0.298 5.038 4.740 -0.001 0.000 0.301 42 N C 1.579 177.153 175.510 0.106 0.000 1.325 42 N CA -0.231 52.892 53.050 0.122 0.000 1.143 42 N CB 0.225 38.796 38.487 0.141 0.000 1.450 42 N HN 0.460 nan 8.380 nan 0.000 0.542 43 L N 0.399 121.700 121.223 0.129 0.000 2.023 43 L HA 0.003 4.343 4.340 -0.001 0.000 0.205 43 L C 1.270 178.203 176.870 0.105 0.000 1.073 43 L CA 1.674 56.601 54.840 0.145 0.000 0.745 43 L CB -0.163 42.040 42.059 0.241 0.000 0.900 43 L HN 0.228 nan 8.230 nan 0.000 0.435 44 L N -0.203 121.074 121.223 0.089 0.000 2.642 44 L HA -0.092 4.247 4.340 -0.001 0.000 0.236 44 L C 1.736 178.644 176.870 0.063 0.000 1.169 44 L CA 0.903 55.784 54.840 0.069 0.000 0.851 44 L CB -0.984 41.107 42.059 0.053 0.000 0.968 44 L HN 0.385 nan 8.230 nan 0.000 0.453 45 Q N -2.288 117.554 119.800 0.070 0.000 2.322 45 Q HA 0.259 4.599 4.340 -0.001 0.000 0.250 45 Q C 0.485 176.519 176.000 0.057 0.000 0.853 45 Q CA 0.122 55.967 55.803 0.070 0.000 0.951 45 Q CB 0.259 29.051 28.738 0.090 0.000 1.114 45 Q HN 0.202 nan 8.270 nan 0.000 0.523 46 M N 1.139 120.767 119.600 0.046 0.000 2.250 46 M HA 0.090 4.569 4.480 -0.001 0.000 0.325 46 M C 0.108 176.420 176.300 0.019 0.000 1.084 46 M CA -0.116 55.190 55.300 0.010 0.000 1.161 46 M CB -0.067 32.523 32.600 -0.017 0.000 1.481 46 M HN 0.020 nan 8.290 nan 0.000 0.449 47 D N 0.493 120.892 120.400 -0.002 0.000 2.253 47 D HA 0.221 4.860 4.640 -0.001 0.000 0.249 47 D C 1.033 177.363 176.300 0.050 0.000 1.049 47 D CA -0.311 53.702 54.000 0.020 0.000 0.929 47 D CB 1.154 41.959 40.800 0.008 0.000 1.176 47 D HN 0.551 nan 8.370 nan 0.000 0.437 48 R N 2.531 123.070 120.500 0.067 0.000 2.080 48 R HA -0.177 4.162 4.340 -0.001 0.000 0.236 48 R C 1.614 177.993 176.300 0.132 0.000 1.137 48 R CA 1.659 57.819 56.100 0.100 0.000 0.943 48 R CB -0.127 30.203 30.300 0.050 0.000 0.846 48 R HN 0.426 nan 8.270 nan 0.000 0.431 49 K N -0.071 120.377 120.400 0.081 0.000 2.520 49 K HA -0.098 4.222 4.320 -0.001 0.000 0.197 49 K C 0.251 176.926 176.600 0.125 0.000 1.044 49 K CA 1.017 57.356 56.287 0.088 0.000 0.938 49 K CB -0.082 32.450 32.500 0.054 0.000 0.767 49 K HN 0.532 nan 8.250 nan 0.000 0.481 50 G N -1.203 107.664 108.800 0.112 0.000 2.280 50 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.277 50 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.277 50 G C 0.102 174.933 174.900 -0.114 0.000 1.288 50 G CA -0.263 44.861 45.100 0.041 0.000 1.075 50 G HN 0.030 nan 8.290 nan 0.000 0.480 51 L N -0.099 121.008 121.223 -0.194 0.000 2.068 51 L HA 0.135 4.474 4.340 -0.001 0.000 0.204 51 L C 2.939 179.430 176.870 -0.631 0.000 1.076 51 L CA 1.367 55.882 54.840 -0.542 0.000 0.753 51 L CB -0.536 41.178 42.059 -0.576 0.000 0.910 51 L HN 0.502 nan 8.230 nan 0.000 0.439 52 L N 0.586 121.744 121.223 -0.108 0.000 2.013 52 L HA -0.215 4.124 4.340 -0.001 0.000 0.212 52 L C 2.530 179.421 176.870 0.035 0.000 1.073 52 L CA 1.828 56.725 54.840 0.095 0.000 0.753 52 L CB -0.579 41.568 42.059 0.146 0.000 0.890 52 L HN 0.093 nan 8.230 nan 0.000 0.432 53 R N -1.055 119.443 120.500 -0.004 0.000 2.323 53 R HA 0.074 4.414 4.340 -0.001 0.000 0.198 53 R C 1.949 178.248 176.300 -0.002 0.000 0.988 53 R CA 1.116 57.231 56.100 0.025 0.000 1.041 53 R CB -0.337 29.982 30.300 0.031 0.000 0.926 53 R HN 0.475 nan 8.270 nan 0.000 0.476 54 S N -0.577 115.063 115.700 -0.100 0.000 2.371 54 S HA 0.065 4.535 4.470 -0.001 0.000 0.219 54 S C 1.086 175.720 174.600 0.057 0.000 1.040 54 S CA 0.480 58.626 58.200 -0.091 0.000 0.958 54 S CB -0.216 62.840 63.200 -0.240 0.000 0.860 54 S HN 0.220 nan 8.310 nan 0.000 0.487 55 F N 2.456 122.466 119.950 0.100 0.000 2.154 55 F HA -0.059 4.468 4.527 -0.001 0.000 0.301 55 F C 1.975 177.897 175.800 0.204 0.000 1.087 55 F CA 0.501 58.642 58.000 0.235 0.000 1.274 55 F CB -1.115 37.981 39.000 0.161 0.000 1.009 55 F HN 0.147 nan 8.300 nan 0.000 0.485 56 L N -0.871 120.531 121.223 0.298 0.000 2.044 56 L HA -0.121 4.219 4.340 -0.001 0.000 0.205 56 L C 2.518 179.442 176.870 0.089 0.000 1.075 56 L CA 1.111 56.063 54.840 0.187 0.000 0.747 56 L CB -0.610 41.543 42.059 0.156 0.000 0.903 56 L HN -0.023 nan 8.230 nan 0.000 0.435 57 R N 0.014 120.552 120.500 0.064 0.000 2.237 57 R HA -0.051 4.288 4.340 -0.001 0.000 0.219 57 R C 2.094 178.378 176.300 -0.027 0.000 1.080 57 R CA 0.739 56.850 56.100 0.019 0.000 0.995 57 R CB 0.075 30.388 30.300 0.021 0.000 0.875 57 R HN 0.327 nan 8.270 nan 0.000 0.462 58 L N -0.898 120.287 121.223 -0.063 0.000 2.298 58 L HA 0.078 4.417 4.340 -0.001 0.000 0.209 58 L C 2.457 179.071 176.870 -0.427 0.000 1.084 58 L CA 0.328 55.053 54.840 -0.192 0.000 0.816 58 L CB -0.190 41.730 42.059 -0.232 0.000 0.967 58 L HN 0.109 nan 8.230 nan 0.000 0.460 59 R N 0.450 120.690 120.500 -0.433 0.000 2.152 59 R HA -0.155 4.184 4.340 -0.001 0.000 0.232 59 R C 1.646 177.873 176.300 -0.121 0.000 1.117 59 R CA 1.115 57.037 56.100 -0.297 0.000 0.981 59 R CB 0.093 30.425 30.300 0.055 0.000 0.870 59 R HN 0.270 nan 8.270 nan 0.000 0.451 60 E N 0.527 120.667 120.200 -0.100 0.000 2.347 60 E HA -0.161 4.188 4.350 -0.001 0.000 0.196 60 E C 1.440 177.957 176.600 -0.138 0.000 1.008 60 E CA 0.836 57.191 56.400 -0.076 0.000 0.852 60 E CB 0.136 29.808 29.700 -0.047 0.000 0.783 60 E HN 0.417 nan 8.360 nan 0.000 0.505 61 K N -0.752 119.501 120.400 -0.245 0.000 2.190 61 K HA -0.013 4.307 4.320 -0.001 0.000 0.202 61 K C 1.256 177.515 176.600 -0.568 0.000 1.045 61 K CA 0.336 56.356 56.287 -0.444 0.000 0.976 61 K CB 0.205 32.316 32.500 -0.648 0.000 0.849 61 K HN -0.064 nan 8.250 nan 0.000 0.468 62 Y N -0.114 120.100 120.300 -0.143 0.000 2.483 62 Y HA 0.339 4.889 4.550 -0.001 0.000 0.243 62 Y C 1.484 177.380 175.900 -0.006 0.000 1.024 62 Y CA 0.706 58.762 58.100 -0.073 0.000 1.091 62 Y CB -0.385 38.017 38.460 -0.097 0.000 1.034 62 Y HN 0.158 nan 8.280 nan 0.000 0.475 63 G N -1.229 107.710 108.800 0.232 0.000 2.731 63 G HA2 0.260 4.220 3.960 -0.001 0.000 0.309 63 G HA3 0.260 4.220 3.960 -0.001 0.000 0.309 63 G C -1.211 173.843 174.900 0.258 0.000 1.273 63 G CA -0.457 44.763 45.100 0.200 0.000 0.798 63 G HN 0.084 nan 8.290 nan 0.000 0.509 64 D N -0.690 119.837 120.400 0.212 0.000 2.328 64 D HA 0.329 4.968 4.640 -0.001 0.000 0.226 64 D C 0.132 176.559 176.300 0.213 0.000 1.066 64 D CA 0.627 54.751 54.000 0.207 0.000 0.861 64 D CB 0.892 41.771 40.800 0.131 0.000 0.912 64 D HN 0.159 nan 8.370 nan 0.000 0.521 65 V N 1.525 121.594 119.914 0.259 0.000 2.624 65 V HA 0.363 4.483 4.120 -0.001 0.000 0.294 65 V C -1.077 175.116 176.094 0.165 0.000 1.077 65 V CA -1.018 61.359 62.300 0.128 0.000 0.905 65 V CB 1.008 32.904 31.823 0.122 0.000 1.025 65 V HN 0.036 nan 8.190 nan 0.000 0.440 66 F N 1.272 121.168 119.950 -0.090 0.000 2.664 66 F HA 0.885 5.412 4.527 -0.001 0.000 0.317 66 F C -0.291 175.383 175.800 -0.211 0.000 1.108 66 F CA -1.149 56.750 58.000 -0.169 0.000 0.957 66 F CB 1.856 40.769 39.000 -0.145 0.000 1.365 66 F HN 0.130 nan 8.300 nan 0.000 0.475 67 T N 2.151 116.634 114.554 -0.118 0.000 2.842 67 T HA 0.513 4.862 4.350 -0.001 0.000 0.308 67 T C -1.075 173.595 174.700 -0.051 0.000 1.041 67 T CA -0.512 61.479 62.100 -0.181 0.000 0.964 67 T CB 0.933 69.710 68.868 -0.151 0.000 0.972 67 T HN 0.731 nan 8.240 nan 0.000 0.460 68 V N 4.596 124.464 119.914 -0.077 0.000 2.612 68 V HA 0.541 4.661 4.120 -0.001 0.000 0.301 68 V C -1.349 174.725 176.094 -0.033 0.000 1.046 68 V CA -0.749 61.593 62.300 0.071 0.000 0.946 68 V CB 1.169 33.092 31.823 0.166 0.000 1.003 68 V HN 0.811 nan 8.190 nan 0.000 0.459 69 Y N 6.243 126.541 120.300 -0.003 0.000 2.595 69 Y HA 0.443 4.993 4.550 -0.000 0.000 0.336 69 Y C 0.482 176.384 175.900 0.003 0.000 0.996 69 Y CA -0.499 57.601 58.100 -0.000 0.000 1.260 69 Y CB 0.954 39.420 38.460 0.010 0.000 1.108 69 Y HN 0.452 nan 8.280 nan 0.000 0.509 70 L N 4.661 125.900 121.223 0.027 0.000 2.505 70 L HA 0.140 4.480 4.340 -0.001 0.000 0.279 70 L C 1.287 178.169 176.870 0.021 0.000 1.211 70 L CA 0.605 55.433 54.840 -0.021 0.000 1.059 70 L CB -0.812 41.207 42.059 -0.066 0.000 1.340 70 L HN 1.040 nan 8.230 nan 0.000 0.447 71 G N 2.332 111.192 108.800 0.101 0.000 3.274 71 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.313 71 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.313 71 G C 0.866 175.902 174.900 0.228 0.000 1.295 71 G CA 0.518 45.761 45.100 0.239 0.000 1.004 71 G HN 0.492 nan 8.290 nan 0.000 0.614 72 S N 0.943 116.750 115.700 0.177 0.000 2.520 72 S HA 0.284 4.753 4.470 -0.001 0.000 0.219 72 S C 0.915 175.611 174.600 0.160 0.000 1.028 72 S CA 0.401 58.703 58.200 0.170 0.000 0.921 72 S CB 0.489 63.761 63.200 0.119 0.000 0.844 72 S HN 0.694 nan 8.310 nan 0.000 0.495 73 R N 2.874 123.425 120.500 0.084 0.000 2.357 73 R HA 0.357 4.697 4.340 -0.001 0.000 0.296 73 R C -2.863 173.359 176.300 -0.131 0.000 1.052 73 R CA -1.614 54.487 56.100 0.001 0.000 0.988 73 R CB 0.097 30.390 30.300 -0.012 0.000 1.025 73 R HN 0.097 nan 8.270 nan 0.000 0.469 74 P HA 0.097 nan 4.420 nan 0.000 0.300 74 P C -0.871 176.214 177.300 -0.358 0.000 1.356 74 P CA -0.500 62.194 63.100 -0.677 0.000 0.823 74 P CB 1.528 32.819 31.700 -0.682 0.000 0.934 75 V N 2.926 122.650 119.914 -0.317 0.000 2.628 75 V HA 0.559 4.679 4.120 -0.001 0.000 0.306 75 V C -0.411 175.534 176.094 -0.247 0.000 1.045 75 V CA -0.840 61.367 62.300 -0.155 0.000 0.905 75 V CB 1.986 33.850 31.823 0.068 0.000 0.997 75 V HN 0.179 nan 8.190 nan 0.000 0.436 76 V N 4.485 124.278 119.914 -0.203 0.000 2.743 76 V HA 0.641 4.761 4.120 -0.001 0.000 0.301 76 V C -0.031 175.829 176.094 -0.391 0.000 1.057 76 V CA -0.303 61.831 62.300 -0.277 0.000 1.006 76 V CB 1.771 33.506 31.823 -0.148 0.000 1.024 76 V HN 0.861 nan 8.190 nan 0.000 0.473 77 V N 4.515 124.067 119.914 -0.604 0.000 2.638 77 V HA 0.494 4.613 4.120 -0.001 0.000 0.306 77 V C -0.666 175.132 176.094 -0.493 0.000 1.052 77 V CA -0.529 61.325 62.300 -0.742 0.000 0.885 77 V CB 1.820 32.813 31.823 -1.385 0.000 0.999 77 V HN 0.609 nan 8.190 nan 0.000 0.424 78 L N 3.855 124.886 121.223 -0.319 0.000 2.316 78 L HA 0.605 4.945 4.340 -0.001 0.000 0.280 78 L C -0.789 176.035 176.870 -0.077 0.000 1.006 78 L CA -0.218 54.533 54.840 -0.148 0.000 0.836 78 L CB 1.510 43.461 42.059 -0.180 0.000 1.221 78 L HN 0.594 nan 8.230 nan 0.000 0.418 79 C N 2.260 121.577 119.300 0.028 0.000 2.382 79 C HA 0.954 5.413 4.460 -0.001 0.000 0.327 79 C C 0.756 175.796 174.990 0.083 0.000 1.250 79 C CA -0.730 58.337 59.018 0.082 0.000 1.707 79 C CB 0.731 28.578 27.740 0.178 0.000 2.272 79 C HN 1.075 nan 8.230 nan 0.000 0.506 80 G N 2.347 111.191 108.800 0.073 0.000 2.770 80 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.686 80 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.686 80 G C 0.102 175.013 174.900 0.018 0.000 1.180 80 G CA -0.171 44.975 45.100 0.077 0.000 0.767 80 G HN 0.701 nan 8.290 nan 0.000 0.646 81 T N 0.600 115.142 114.554 -0.020 0.000 2.897 81 T HA -0.079 4.271 4.350 -0.001 0.000 0.271 81 T C 1.801 176.401 174.700 -0.167 0.000 1.084 81 T CA 2.094 64.072 62.100 -0.204 0.000 1.123 81 T CB -0.161 68.325 68.868 -0.637 0.000 0.865 81 T HN 0.579 nan 8.240 nan 0.000 0.496 82 D N 1.171 121.558 120.400 -0.021 0.000 2.154 82 D HA 0.105 4.745 4.640 -0.001 0.000 0.211 82 D C 2.512 178.842 176.300 0.049 0.000 0.977 82 D CA 1.026 55.047 54.000 0.036 0.000 0.869 82 D CB -0.493 40.371 40.800 0.107 0.000 1.022 82 D HN 0.347 nan 8.370 nan 0.000 0.461 83 A N 1.411 124.272 122.820 0.069 0.000 2.042 83 A HA -0.182 4.137 4.320 -0.001 0.000 0.222 83 A C 2.136 179.793 177.584 0.123 0.000 1.167 83 A CA 1.089 53.202 52.037 0.127 0.000 0.649 83 A CB -0.502 18.562 19.000 0.107 0.000 0.809 83 A HN 0.161 nan 8.150 nan 0.000 0.457 84 I N -0.884 119.680 120.570 -0.010 0.000 2.185 84 I HA -0.127 4.042 4.170 -0.001 0.000 0.235 84 I C 2.533 178.576 176.117 -0.123 0.000 1.069 84 I CA 1.257 62.481 61.300 -0.126 0.000 1.354 84 I CB -1.553 36.365 38.000 -0.138 0.000 1.093 84 I HN 0.329 nan 8.210 nan 0.000 0.411 85 R N 0.914 121.369 120.500 -0.075 0.000 2.133 85 R HA -0.242 4.097 4.340 -0.001 0.000 0.245 85 R C 2.090 178.393 176.300 0.005 0.000 1.137 85 R CA 1.936 58.007 56.100 -0.049 0.000 0.947 85 R CB -0.470 29.805 30.300 -0.041 0.000 0.865 85 R HN 0.464 nan 8.270 nan 0.000 0.437 86 E N -0.576 119.677 120.200 0.088 0.000 2.233 86 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 86 E C 1.638 178.393 176.600 0.257 0.000 1.004 86 E CA 1.351 57.884 56.400 0.222 0.000 0.819 86 E CB -0.002 29.890 29.700 0.320 0.000 0.738 86 E HN 0.463 nan 8.360 nan 0.000 0.478 87 A N 0.007 122.785 122.820 -0.069 0.000 1.970 87 A HA 0.136 4.456 4.320 -0.001 0.000 0.204 87 A C 1.910 179.304 177.584 -0.316 0.000 1.325 87 A CA -0.189 51.518 52.037 -0.550 0.000 0.767 87 A CB -0.077 17.870 19.000 -1.755 0.000 0.949 87 A HN 0.065 nan 8.150 nan 0.000 0.481 88 L N 0.192 121.206 121.223 -0.347 0.000 2.362 88 L HA -0.069 4.271 4.340 -0.001 0.000 0.219 88 L C 1.761 178.603 176.870 -0.048 0.000 1.134 88 L CA 0.756 55.477 54.840 -0.198 0.000 0.807 88 L CB -0.156 41.763 42.059 -0.233 0.000 0.927 88 L HN 0.298 nan 8.230 nan 0.000 0.447 89 V N -2.240 117.658 119.914 -0.025 0.000 2.950 89 V HA 0.009 4.128 4.120 -0.001 0.000 0.231 89 V C 1.196 177.316 176.094 0.043 0.000 1.205 89 V CA 0.299 62.607 62.300 0.013 0.000 1.239 89 V CB -0.149 31.677 31.823 0.006 0.000 1.050 89 V HN 0.183 nan 8.190 nan 0.000 0.498 90 D N 0.887 121.322 120.400 0.060 0.000 2.368 90 D HA -0.020 4.619 4.640 -0.001 0.000 0.250 90 D C 0.843 177.204 176.300 0.100 0.000 1.142 90 D CA 0.728 54.777 54.000 0.082 0.000 0.925 90 D CB 0.175 41.038 40.800 0.105 0.000 0.896 90 D HN 0.567 nan 8.370 nan 0.000 0.525 91 Q N -1.828 118.032 119.800 0.101 0.000 1.682 91 Q HA 0.143 4.482 4.340 -0.001 0.000 0.162 91 Q C 1.210 177.267 176.000 0.094 0.000 0.798 91 Q CA -0.004 55.855 55.803 0.094 0.000 0.797 91 Q CB 0.427 29.256 28.738 0.152 0.000 1.232 91 Q HN 0.112 nan 8.270 nan 0.000 0.369 92 A N 1.038 123.907 122.820 0.081 0.000 1.985 92 A HA -0.330 3.990 4.320 -0.001 0.000 0.223 92 A C 1.876 179.473 177.584 0.021 0.000 1.189 92 A CA 2.403 54.478 52.037 0.063 0.000 0.658 92 A CB -0.219 18.805 19.000 0.038 0.000 0.820 92 A HN 0.371 nan 8.150 nan 0.000 0.464 93 E N 0.063 120.256 120.200 -0.012 0.000 2.047 93 E HA 0.002 4.351 4.350 -0.001 0.000 0.191 93 E C 2.007 178.535 176.600 -0.120 0.000 0.987 93 E CA 1.682 58.049 56.400 -0.055 0.000 0.799 93 E CB -0.642 29.033 29.700 -0.042 0.000 0.752 93 E HN 0.487 nan 8.360 nan 0.000 0.449 94 A N -0.847 121.863 122.820 -0.182 0.000 2.121 94 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 94 A C 0.962 178.235 177.584 -0.518 0.000 1.154 94 A CA 0.775 52.587 52.037 -0.376 0.000 0.679 94 A CB -0.404 18.288 19.000 -0.513 0.000 0.795 94 A HN 0.268 nan 8.150 nan 0.000 0.458 95 F N -0.221 119.651 119.950 -0.130 0.000 2.908 95 F HA 0.186 4.712 4.527 -0.001 0.000 0.328 95 F C 1.683 177.454 175.800 -0.047 0.000 1.211 95 F CA 0.100 58.034 58.000 -0.110 0.000 1.291 95 F CB 0.369 39.261 39.000 -0.179 0.000 0.962 95 F HN 0.212 nan 8.300 nan 0.000 0.505 96 S N -1.708 113.957 115.700 -0.058 0.000 2.497 96 S HA 0.222 4.692 4.470 -0.001 0.000 0.218 96 S C 1.363 175.690 174.600 -0.456 0.000 1.023 96 S CA 0.083 58.122 58.200 -0.269 0.000 0.913 96 S CB -0.225 62.751 63.200 -0.373 0.000 0.800 96 S HN 0.236 nan 8.310 nan 0.000 0.505 97 G N 2.234 110.847 108.800 -0.311 0.000 2.305 97 G HA2 0.368 4.328 3.960 -0.001 0.000 0.243 97 G HA3 0.368 4.328 3.960 -0.001 0.000 0.243 97 G C -0.210 174.475 174.900 -0.358 0.000 1.288 97 G CA -0.410 44.499 45.100 -0.318 0.000 0.901 97 G HN 0.475 nan 8.290 nan 0.000 0.516 98 R N 1.689 121.967 120.500 -0.370 0.000 2.490 98 R HA 0.559 4.898 4.340 -0.001 0.000 0.278 98 R C 0.923 177.120 176.300 -0.171 0.000 1.069 98 R CA 0.460 56.367 56.100 -0.323 0.000 1.080 98 R CB 0.708 30.870 30.300 -0.231 0.000 1.030 98 R HN 0.554 nan 8.270 nan 0.000 0.491 99 G N 1.760 110.473 108.800 -0.146 0.000 2.641 99 G HA2 0.397 4.356 3.960 -0.001 0.000 0.239 99 G HA3 0.397 4.356 3.960 -0.001 0.000 0.239 99 G C -0.969 173.907 174.900 -0.040 0.000 1.402 99 G CA -0.514 44.516 45.100 -0.117 0.000 1.046 99 G HN 0.462 nan 8.290 nan 0.000 0.565 100 K N -0.502 119.850 120.400 -0.082 0.000 2.426 100 K HA 0.420 4.740 4.320 -0.001 0.000 0.251 100 K C -1.314 175.215 176.600 -0.118 0.000 0.941 100 K CA -0.784 55.431 56.287 -0.119 0.000 0.808 100 K CB 2.470 34.907 32.500 -0.105 0.000 1.265 100 K HN 0.116 nan 8.250 nan 0.000 0.432 101 I N 2.897 123.335 120.570 -0.219 0.000 2.330 101 I HA 0.123 4.292 4.170 -0.001 0.000 0.286 101 I C 1.387 177.489 176.117 -0.026 0.000 1.025 101 I CA -0.116 61.140 61.300 -0.073 0.000 1.197 101 I CB 0.374 38.353 38.000 -0.036 0.000 1.358 101 I HN 0.847 nan 8.210 nan 0.000 0.467 102 A N 6.657 129.507 122.820 0.050 0.000 1.909 102 A HA -0.242 4.078 4.320 -0.001 0.000 0.221 102 A C 2.151 179.961 177.584 0.376 0.000 1.223 102 A CA 3.002 55.113 52.037 0.124 0.000 0.658 102 A CB -0.825 18.199 19.000 0.039 0.000 0.831 102 A HN 0.695 nan 8.150 nan 0.000 0.462 103 V N -1.867 118.244 119.914 0.329 0.000 2.515 103 V HA -0.054 4.065 4.120 -0.001 0.000 0.250 103 V C 1.845 178.020 176.094 0.135 0.000 1.058 103 V CA 1.790 64.198 62.300 0.179 0.000 1.064 103 V CB -1.083 30.778 31.823 0.064 0.000 0.675 103 V HN 0.896 nan 8.190 nan 0.000 0.461 104 V N -2.331 117.656 119.914 0.121 0.000 3.121 104 V HA 0.419 4.539 4.120 -0.001 0.000 0.344 104 V C 1.367 177.545 176.094 0.139 0.000 1.390 104 V CA 0.675 63.071 62.300 0.159 0.000 1.177 104 V CB -0.139 31.851 31.823 0.279 0.000 1.163 104 V HN 0.426 nan 8.190 nan 0.000 0.484 105 D N 2.243 122.676 120.400 0.055 0.000 2.137 105 D HA 0.073 4.713 4.640 -0.001 0.000 0.202 105 D C -0.548 175.823 176.300 0.119 0.000 0.970 105 D CA 1.036 55.047 54.000 0.019 0.000 0.837 105 D CB -0.637 40.152 40.800 -0.019 0.000 0.981 105 D HN 0.381 nan 8.370 nan 0.000 0.475 106 P HA -0.069 nan 4.420 nan 0.000 0.234 106 P C 0.731 178.175 177.300 0.240 0.000 1.162 106 P CA 0.766 63.960 63.100 0.157 0.000 0.759 106 P CB 0.150 31.919 31.700 0.116 0.000 0.813 107 I N -3.336 117.323 120.570 0.149 0.000 3.194 107 I HA 0.063 4.232 4.170 -0.001 0.000 0.271 107 I C 1.667 177.684 176.117 -0.168 0.000 1.150 107 I CA 0.825 62.084 61.300 -0.069 0.000 1.440 107 I CB -0.941 36.893 38.000 -0.276 0.000 1.276 107 I HN -0.098 nan 8.210 nan 0.000 0.457 108 F N 1.531 121.531 119.950 0.083 0.000 2.512 108 F HA -0.049 4.478 4.527 -0.001 0.000 0.296 108 F C 1.760 177.676 175.800 0.193 0.000 1.110 108 F CA 0.425 58.520 58.000 0.158 0.000 1.446 108 F CB 0.011 39.164 39.000 0.256 0.000 1.092 108 F HN 0.091 nan 8.300 nan 0.000 0.554 109 Q N -0.673 119.298 119.800 0.285 0.000 2.306 109 Q HA -0.285 4.055 4.340 -0.001 0.000 0.179 109 Q C 1.492 177.694 176.000 0.337 0.000 2.892 109 Q CA 1.898 57.861 55.803 0.266 0.000 0.250 109 Q CB -2.064 26.809 28.738 0.226 0.000 0.245 109 Q HN 0.597 nan 8.270 nan 0.000 0.415 110 G N -1.041 108.061 108.800 0.504 0.000 4.207 110 G HA2 0.243 4.203 3.960 -0.001 0.000 0.222 110 G HA3 0.243 4.203 3.960 -0.001 0.000 0.222 110 G C -0.827 174.241 174.900 0.280 0.000 0.850 110 G CA -0.226 45.061 45.100 0.311 0.000 1.149 110 G HN 0.069 nan 8.290 nan 0.000 0.751 111 Y N 0.237 120.691 120.300 0.258 0.000 2.468 111 Y HA 0.762 5.311 4.550 -0.001 0.000 0.342 111 Y C 0.702 176.805 175.900 0.338 0.000 1.021 111 Y CA -0.887 57.351 58.100 0.229 0.000 1.079 111 Y CB 2.336 40.896 38.460 0.166 0.000 1.226 111 Y HN 0.996 nan 8.280 nan 0.000 0.460 112 G N -0.113 108.915 108.800 0.381 0.000 2.841 112 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.684 112 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.684 112 G C 0.120 175.122 174.900 0.170 0.000 1.273 112 G CA -0.505 44.791 45.100 0.327 0.000 0.811 112 G HN 0.937 nan 8.290 nan 0.000 0.631 113 V N 2.100 122.071 119.914 0.095 0.000 2.363 113 V HA -0.250 3.869 4.120 -0.001 0.000 0.254 113 V C 2.591 178.701 176.094 0.027 0.000 1.074 113 V CA 3.226 65.534 62.300 0.012 0.000 1.069 113 V CB -0.593 31.212 31.823 -0.031 0.000 0.659 113 V HN 0.708 nan 8.190 nan 0.000 0.455 114 I N -0.981 119.510 120.570 -0.133 0.000 2.206 114 I HA -0.050 4.119 4.170 -0.001 0.000 0.239 114 I C 1.781 177.612 176.117 -0.476 0.000 1.078 114 I CA 1.882 62.929 61.300 -0.422 0.000 1.367 114 I CB -0.451 37.005 38.000 -0.907 0.000 1.078 114 I HN 0.304 nan 8.210 nan 0.000 0.413 115 F N 0.437 120.310 119.950 -0.127 0.000 2.749 115 F HA 0.437 4.963 4.527 -0.001 0.000 0.300 115 F C 1.372 177.177 175.800 0.007 0.000 1.103 115 F CA -0.396 57.545 58.000 -0.099 0.000 1.342 115 F CB -0.963 37.932 39.000 -0.174 0.000 1.098 115 F HN -0.158 nan 8.300 nan 0.000 0.586 116 A N 0.646 123.595 122.820 0.214 0.000 2.425 116 A HA 0.336 4.656 4.320 -0.001 0.000 0.242 116 A C 0.203 177.880 177.584 0.156 0.000 1.077 116 A CA -0.013 52.120 52.037 0.159 0.000 0.781 116 A CB 0.123 19.207 19.000 0.139 0.000 1.020 116 A HN 0.264 nan 8.150 nan 0.000 0.494 117 N N -1.122 117.624 118.700 0.076 0.000 2.321 117 N HA 0.597 5.337 4.740 -0.001 0.000 0.290 117 N C 0.265 175.811 175.510 0.061 0.000 1.212 117 N CA 0.860 53.933 53.050 0.038 0.000 0.767 117 N CB 2.033 40.492 38.487 -0.046 0.000 1.494 117 N HN 1.560 nan 8.380 nan 0.000 0.479 118 G N 1.793 110.630 108.800 0.061 0.000 2.525 118 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.248 118 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.248 118 G C 0.700 175.688 174.900 0.145 0.000 1.238 118 G CA 0.692 45.833 45.100 0.069 0.000 0.926 118 G HN 0.600 nan 8.290 nan 0.000 0.574 119 E N 0.138 120.385 120.200 0.079 0.000 2.160 119 E HA -0.114 4.236 4.350 -0.001 0.000 0.195 119 E C 2.442 179.068 176.600 0.044 0.000 0.991 119 E CA 2.132 58.574 56.400 0.069 0.000 0.810 119 E CB -0.224 29.496 29.700 0.033 0.000 0.742 119 E HN 0.590 nan 8.360 nan 0.000 0.466 120 R N -0.974 119.541 120.500 0.025 0.000 2.082 120 R HA -0.196 4.143 4.340 -0.001 0.000 0.234 120 R C 2.168 178.471 176.300 0.006 0.000 1.136 120 R CA 1.977 58.061 56.100 -0.026 0.000 0.935 120 R CB -0.879 29.389 30.300 -0.053 0.000 0.842 120 R HN 0.392 nan 8.270 nan 0.000 0.430 121 W N 1.420 122.678 121.300 -0.070 0.000 2.332 121 W HA -0.242 4.418 4.660 -0.001 0.000 0.321 121 W C 2.408 178.908 176.519 -0.032 0.000 1.219 121 W CA 2.148 59.461 57.345 -0.054 0.000 1.277 121 W CB -0.456 28.967 29.460 -0.062 0.000 1.161 121 W HN 0.074 nan 8.180 nan 0.000 0.476 122 R N 0.606 121.208 120.500 0.169 0.000 2.162 122 R HA -0.268 4.072 4.340 -0.001 0.000 0.245 122 R C 2.341 178.533 176.300 -0.179 0.000 1.129 122 R CA 2.932 59.028 56.100 -0.007 0.000 0.940 122 R CB -1.273 29.114 30.300 0.146 0.000 0.875 122 R HN 0.303 nan 8.270 nan 0.000 0.437 123 A N 0.112 122.880 122.820 -0.086 0.000 1.828 123 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 123 A C 2.236 179.774 177.584 -0.076 0.000 1.203 123 A CA 1.657 53.677 52.037 -0.027 0.000 0.614 123 A CB -0.987 18.007 19.000 -0.010 0.000 0.844 123 A HN 0.326 nan 8.150 nan 0.000 0.445 124 L N -0.913 120.172 121.223 -0.229 0.000 1.997 124 L HA -0.313 4.027 4.340 -0.001 0.000 0.227 124 L C 2.878 179.691 176.870 -0.095 0.000 1.087 124 L CA 2.170 56.905 54.840 -0.175 0.000 0.797 124 L CB -0.656 41.299 42.059 -0.174 0.000 0.902 124 L HN 0.442 nan 8.230 nan 0.000 0.441 125 R N 0.395 120.654 120.500 -0.402 0.000 2.127 125 R HA -0.208 4.132 4.340 -0.001 0.000 0.238 125 R C 2.326 178.453 176.300 -0.288 0.000 1.134 125 R CA 1.892 57.697 56.100 -0.491 0.000 0.975 125 R CB -0.348 29.237 30.300 -1.191 0.000 0.865 125 R HN 0.372 nan 8.270 nan 0.000 0.447 126 R N -0.763 119.603 120.500 -0.223 0.000 2.066 126 R HA -0.144 4.196 4.340 -0.001 0.000 0.232 126 R C 2.282 178.609 176.300 0.044 0.000 1.131 126 R CA 1.685 57.735 56.100 -0.083 0.000 0.955 126 R CB -0.568 29.712 30.300 -0.034 0.000 0.851 126 R HN 0.225 nan 8.270 nan 0.000 0.432 127 F N 1.286 121.248 119.950 0.020 0.000 2.084 127 F HA -0.144 4.382 4.527 -0.001 0.000 0.296 127 F C 2.054 177.906 175.800 0.088 0.000 1.111 127 F CA 1.853 59.908 58.000 0.093 0.000 1.224 127 F CB -0.429 38.759 39.000 0.314 0.000 0.991 127 F HN 0.009 nan 8.300 nan 0.000 0.471 128 S N 1.825 117.657 115.700 0.221 0.000 2.444 128 S HA -0.318 4.152 4.470 -0.001 0.000 0.225 128 S C 2.022 176.585 174.600 -0.062 0.000 1.042 128 S CA 1.772 60.085 58.200 0.187 0.000 1.132 128 S CB -1.254 62.047 63.200 0.168 0.000 1.099 128 S HN 0.574 nan 8.310 nan 0.000 0.417 129 L N 1.291 122.463 121.223 -0.085 0.000 2.034 129 L HA -0.304 4.035 4.340 -0.001 0.000 0.217 129 L C 2.477 179.259 176.870 -0.146 0.000 1.077 129 L CA 1.964 56.733 54.840 -0.118 0.000 0.769 129 L CB -0.669 41.325 42.059 -0.108 0.000 0.890 129 L HN 0.413 nan 8.230 nan 0.000 0.435 130 A N -1.241 121.484 122.820 -0.157 0.000 1.908 130 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 130 A C 2.201 179.638 177.584 -0.245 0.000 1.181 130 A CA 2.409 54.345 52.037 -0.169 0.000 0.627 130 A CB -1.044 17.870 19.000 -0.143 0.000 0.818 130 A HN 0.567 nan 8.150 nan 0.000 0.445 131 T N 0.945 115.259 114.554 -0.400 0.000 2.698 131 T HA 0.037 4.386 4.350 -0.001 0.000 0.260 131 T C 1.217 175.601 174.700 -0.526 0.000 1.044 131 T CA 1.242 63.036 62.100 -0.510 0.000 1.149 131 T CB -0.492 67.893 68.868 -0.806 0.000 0.864 131 T HN 0.700 nan 8.240 nan 0.000 0.419 132 M N 0.842 120.212 119.600 -0.382 0.000 2.219 132 M HA 0.428 4.907 4.480 -0.001 0.000 0.307 132 M C 1.155 177.306 176.300 -0.249 0.000 1.116 132 M CA -0.087 54.995 55.300 -0.364 0.000 1.181 132 M CB 0.131 32.594 32.600 -0.228 0.000 1.410 132 M HN 0.138 nan 8.290 nan 0.000 0.454 133 R N 0.685 121.086 120.500 -0.166 0.000 3.793 133 R HA -0.274 4.066 4.340 -0.001 0.000 0.318 133 R C 0.027 176.320 176.300 -0.011 0.000 0.729 133 R CA 2.506 58.570 56.100 -0.061 0.000 1.731 133 R CB -2.601 27.657 30.300 -0.070 0.000 1.879 133 R HN 1.032 nan 8.270 nan 0.000 0.498 134 D N 0.603 120.965 120.400 -0.063 0.000 2.885 134 D HA 0.245 4.885 4.640 -0.001 0.000 0.234 134 D C -0.650 175.788 176.300 0.230 0.000 1.129 134 D CA 0.380 54.391 54.000 0.019 0.000 0.991 134 D CB -0.461 40.311 40.800 -0.047 0.000 1.137 134 D HN 0.322 nan 8.370 nan 0.000 0.459 135 F N -0.047 119.898 119.950 -0.008 0.000 2.591 135 F HA 0.603 5.130 4.527 -0.001 0.000 0.309 135 F C 0.549 176.352 175.800 0.005 0.000 1.098 135 F CA -0.558 57.444 58.000 0.003 0.000 0.937 135 F CB 2.475 41.486 39.000 0.018 0.000 1.250 135 F HN 0.180 nan 8.300 nan 0.000 0.447 136 G N 2.854 111.690 108.800 0.061 0.000 2.348 136 G HA2 0.251 4.211 3.960 -0.001 0.000 0.606 136 G HA3 0.251 4.211 3.960 -0.001 0.000 0.606 136 G C -2.259 172.634 174.900 -0.012 0.000 1.466 136 G CA -1.095 44.012 45.100 0.012 0.000 0.950 136 G HN 0.544 nan 8.290 nan 0.000 0.657 137 M N 2.664 122.250 119.600 -0.024 0.000 2.027 137 M HA 0.654 5.133 4.480 -0.001 0.000 0.329 137 M C 1.049 177.343 176.300 -0.009 0.000 0.971 137 M CA 0.761 56.048 55.300 -0.022 0.000 0.933 137 M CB 0.282 32.861 32.600 -0.036 0.000 1.392 137 M HN 2.737 nan 8.290 nan 0.000 0.394 138 G N 4.848 113.647 108.800 -0.002 0.000 4.951 138 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.295 138 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.295 138 G C -0.015 174.889 174.900 0.007 0.000 1.540 138 G CA 0.311 45.412 45.100 0.001 0.000 1.044 138 G HN 0.959 nan 8.290 nan 0.000 0.731 139 K N 0.069 120.473 120.400 0.007 0.000 3.163 139 K HA 0.760 5.079 4.320 -0.001 0.000 0.186 139 K C 0.638 177.247 176.600 0.015 0.000 1.111 139 K CA -0.534 55.760 56.287 0.012 0.000 0.918 139 K CB 1.250 33.757 32.500 0.010 0.000 1.059 139 K HN 0.316 nan 8.250 nan 0.000 0.558 140 R N 0.753 121.264 120.500 0.019 0.000 2.507 140 R HA 0.252 4.592 4.340 -0.001 0.000 0.298 140 R C -0.724 175.602 176.300 0.043 0.000 0.999 140 R CA -0.203 55.914 56.100 0.027 0.000 1.082 140 R CB -0.292 30.020 30.300 0.020 0.000 1.246 140 R HN 0.362 nan 8.270 nan 0.000 0.553 141 S N -0.610 115.112 115.700 0.036 0.000 2.553 141 S HA -0.086 4.384 4.470 -0.001 0.000 0.293 141 S C 1.259 175.882 174.600 0.039 0.000 1.296 141 S CA 0.217 58.438 58.200 0.036 0.000 1.046 141 S CB 0.930 64.144 63.200 0.022 0.000 0.810 141 S HN 0.114 nan 8.310 nan 0.000 0.505 142 V N 1.744 121.680 119.914 0.038 0.000 3.241 142 V HA -0.115 4.005 4.120 -0.001 0.000 0.269 142 V C 2.150 178.250 176.094 0.011 0.000 1.151 142 V CA 1.747 64.068 62.300 0.035 0.000 1.158 142 V CB -0.860 30.979 31.823 0.026 0.000 0.764 142 V HN 0.915 nan 8.190 nan 0.000 0.508 143 E N -0.067 120.137 120.200 0.007 0.000 2.140 143 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 143 E C 2.083 178.683 176.600 -0.001 0.000 0.973 143 E CA 0.404 56.801 56.400 -0.004 0.000 0.829 143 E CB 0.194 29.897 29.700 0.004 0.000 0.781 143 E HN 0.554 nan 8.360 nan 0.000 0.466 144 E N 0.597 120.805 120.200 0.013 0.000 2.106 144 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 144 E C 2.030 178.643 176.600 0.021 0.000 0.984 144 E CA 0.698 57.109 56.400 0.017 0.000 0.806 144 E CB -0.116 29.597 29.700 0.021 0.000 0.750 144 E HN 0.164 nan 8.360 nan 0.000 0.458 145 R N 0.251 120.768 120.500 0.029 0.000 2.276 145 R HA 0.130 4.469 4.340 -0.001 0.000 0.196 145 R C 2.172 178.498 176.300 0.042 0.000 0.961 145 R CA 0.086 56.214 56.100 0.046 0.000 1.024 145 R CB 0.157 30.497 30.300 0.067 0.000 0.940 145 R HN 0.098 nan 8.270 nan 0.000 0.480 146 I N 0.171 120.733 120.570 -0.014 0.000 2.400 146 I HA -0.175 3.994 4.170 -0.001 0.000 0.248 146 I C 1.927 177.960 176.117 -0.139 0.000 1.109 146 I CA 0.885 62.112 61.300 -0.122 0.000 1.425 146 I CB -0.008 37.849 38.000 -0.239 0.000 1.094 146 I HN 0.224 nan 8.210 nan 0.000 0.425 147 Q N 0.264 120.023 119.800 -0.069 0.000 2.181 147 Q HA -0.276 4.064 4.340 -0.001 0.000 0.205 147 Q C 1.918 177.937 176.000 0.032 0.000 0.980 147 Q CA 1.504 57.292 55.803 -0.024 0.000 0.862 147 Q CB -0.030 28.711 28.738 0.004 0.000 0.905 147 Q HN 0.337 nan 8.270 nan 0.000 0.429 148 E N 1.072 121.299 120.200 0.046 0.000 2.046 148 E HA -0.198 4.152 4.350 -0.001 0.000 0.190 148 E C 1.667 178.345 176.600 0.130 0.000 0.982 148 E CA 1.147 57.591 56.400 0.073 0.000 0.800 148 E CB 0.029 29.765 29.700 0.060 0.000 0.756 148 E HN 0.166 nan 8.360 nan 0.000 0.449 149 E N -0.115 120.193 120.200 0.180 0.000 2.153 149 E HA -0.090 4.259 4.350 -0.001 0.000 0.194 149 E C 1.706 178.585 176.600 0.464 0.000 0.988 149 E CA 1.314 57.916 56.400 0.336 0.000 0.811 149 E CB -0.389 29.587 29.700 0.459 0.000 0.746 149 E HN 0.304 nan 8.360 nan 0.000 0.466 150 A N 0.643 123.691 122.820 0.381 0.000 1.873 150 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 150 A C 2.254 180.003 177.584 0.276 0.000 1.186 150 A CA 1.547 53.833 52.037 0.415 0.000 0.616 150 A CB -0.573 18.540 19.000 0.189 0.000 0.823 150 A HN 0.245 nan 8.150 nan 0.000 0.442 151 R N -0.507 120.103 120.500 0.183 0.000 2.096 151 R HA -0.212 4.127 4.340 -0.001 0.000 0.240 151 R C 2.198 178.597 176.300 0.165 0.000 1.139 151 R CA 2.222 58.407 56.100 0.142 0.000 0.952 151 R CB -0.807 29.549 30.300 0.093 0.000 0.854 151 R HN 0.568 nan 8.270 nan 0.000 0.436 152 C N 0.478 119.882 119.300 0.173 0.000 2.432 152 C HA -0.117 4.342 4.460 -0.001 0.000 0.277 152 C C 2.582 177.741 174.990 0.281 0.000 1.249 152 C CA 0.562 59.672 59.018 0.154 0.000 1.725 152 C CB -1.068 26.718 27.740 0.077 0.000 2.028 152 C HN 0.610 nan 8.230 nan 0.000 0.477 153 L N 0.880 122.328 121.223 0.376 0.000 2.079 153 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 153 L C 2.385 179.363 176.870 0.181 0.000 1.081 153 L CA 1.811 56.836 54.840 0.308 0.000 0.752 153 L CB -0.754 41.422 42.059 0.195 0.000 0.896 153 L HN 0.210 nan 8.230 nan 0.000 0.433 154 V N -0.114 119.951 119.914 0.253 0.000 2.237 154 V HA -0.324 3.796 4.120 -0.001 0.000 0.245 154 V C 2.586 178.910 176.094 0.383 0.000 1.046 154 V CA 2.068 64.618 62.300 0.417 0.000 1.007 154 V CB -0.627 31.382 31.823 0.310 0.000 0.638 154 V HN 0.616 nan 8.190 nan 0.000 0.445 155 E N -0.087 120.257 120.200 0.241 0.000 2.065 155 E HA -0.350 4.000 4.350 -0.001 0.000 0.201 155 E C 2.194 178.893 176.600 0.164 0.000 1.016 155 E CA 2.018 58.526 56.400 0.181 0.000 0.818 155 E CB -0.142 29.624 29.700 0.110 0.000 0.749 155 E HN 0.601 nan 8.360 nan 0.000 0.453 156 E N 0.727 121.026 120.200 0.165 0.000 2.085 156 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 156 E C 2.042 178.656 176.600 0.024 0.000 0.994 156 E CA 1.176 57.664 56.400 0.147 0.000 0.801 156 E CB -0.408 29.498 29.700 0.344 0.000 0.743 156 E HN 0.374 nan 8.360 nan 0.000 0.453 157 L N 0.192 121.345 121.223 -0.117 0.000 2.450 157 L HA -0.106 4.234 4.340 -0.001 0.000 0.224 157 L C 2.352 179.135 176.870 -0.143 0.000 1.149 157 L CA 0.967 55.563 54.840 -0.407 0.000 0.816 157 L CB -0.306 40.995 42.059 -1.265 0.000 0.932 157 L HN 0.182 nan 8.230 nan 0.000 0.449 158 R N 0.136 120.731 120.500 0.157 0.000 2.075 158 R HA -0.046 4.294 4.340 -0.001 0.000 0.220 158 R C 2.020 178.399 176.300 0.131 0.000 1.118 158 R CA 0.511 56.768 56.100 0.262 0.000 0.986 158 R CB -0.259 30.204 30.300 0.271 0.000 0.884 158 R HN 0.257 nan 8.270 nan 0.000 0.439 159 K N 1.455 121.911 120.400 0.092 0.000 2.362 159 K HA -0.080 4.240 4.320 -0.001 0.000 0.202 159 K C 1.554 178.180 176.600 0.043 0.000 1.045 159 K CA 1.602 57.926 56.287 0.062 0.000 0.936 159 K CB -0.083 32.450 32.500 0.054 0.000 0.747 159 K HN 0.187 nan 8.250 nan 0.000 0.467 160 S N 0.708 116.425 115.700 0.030 0.000 2.679 160 S HA 0.124 4.593 4.470 -0.001 0.000 0.233 160 S C -0.232 174.381 174.600 0.022 0.000 0.951 160 S CA -0.521 57.683 58.200 0.006 0.000 0.973 160 S CB -0.284 62.894 63.200 -0.036 0.000 0.778 160 S HN 0.099 nan 8.310 nan 0.000 0.477 161 K N 1.997 122.430 120.400 0.055 0.000 4.526 161 K HA -0.161 4.159 4.320 -0.001 0.000 0.273 161 K C 1.068 177.703 176.600 0.059 0.000 0.738 161 K CA 0.445 56.774 56.287 0.070 0.000 0.703 161 K CB -1.939 30.593 32.500 0.054 0.000 1.970 161 K HN 0.741 nan 8.250 nan 0.000 0.403 162 G N 0.250 109.099 108.800 0.081 0.000 2.402 162 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.300 162 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.300 162 G C 0.365 175.270 174.900 0.008 0.000 0.987 162 G CA 0.305 45.442 45.100 0.061 0.000 0.881 162 G HN 0.904 nan 8.290 nan 0.000 0.512 163 A N -0.708 122.107 122.820 -0.009 0.000 2.425 163 A HA 0.581 4.900 4.320 -0.001 0.000 0.242 163 A C 0.859 178.401 177.584 -0.070 0.000 1.077 163 A CA -0.200 51.816 52.037 -0.034 0.000 0.781 163 A CB 0.529 19.507 19.000 -0.036 0.000 1.020 163 A HN 1.006 nan 8.150 nan 0.000 0.494 164 L N 3.267 124.444 121.223 -0.077 0.000 2.387 164 L HA 0.206 4.545 4.340 -0.001 0.000 0.267 164 L C -0.674 176.120 176.870 -0.125 0.000 1.197 164 L CA -0.633 54.142 54.840 -0.108 0.000 1.070 164 L CB -0.636 41.373 42.059 -0.083 0.000 1.349 164 L HN 0.715 nan 8.230 nan 0.000 0.422 165 L N 1.125 122.253 121.223 -0.159 0.000 2.635 165 L HA 0.581 4.920 4.340 -0.001 0.000 0.250 165 L C 0.132 176.855 176.870 -0.245 0.000 1.117 165 L CA -0.490 54.243 54.840 -0.178 0.000 0.834 165 L CB -0.004 41.952 42.059 -0.172 0.000 1.544 165 L HN 0.127 nan 8.230 nan 0.000 0.511 166 D N 0.451 120.692 120.400 -0.265 0.000 2.458 166 D HA 0.094 4.733 4.640 -0.001 0.000 0.258 166 D C 0.317 176.373 176.300 -0.407 0.000 1.134 166 D CA -0.241 53.560 54.000 -0.331 0.000 0.915 166 D CB 0.377 41.026 40.800 -0.251 0.000 1.028 166 D HN 0.710 nan 8.370 nan 0.000 0.508 167 N N 1.979 120.367 118.700 -0.520 0.000 2.661 167 N HA -0.180 4.560 4.740 -0.001 0.000 0.196 167 N C 1.035 176.109 175.510 -0.727 0.000 1.129 167 N CA 0.490 53.086 53.050 -0.757 0.000 0.938 167 N CB -0.352 37.624 38.487 -0.850 0.000 0.966 167 N HN 0.233 nan 8.380 nan 0.000 0.450 168 T N 1.738 116.025 114.554 -0.446 0.000 2.569 168 T HA -0.078 4.272 4.350 -0.001 0.000 0.263 168 T C 1.829 176.394 174.700 -0.226 0.000 1.074 168 T CA 1.167 63.078 62.100 -0.314 0.000 1.176 168 T CB -0.221 68.387 68.868 -0.434 0.000 0.863 168 T HN 0.109 nan 8.240 nan 0.000 0.410 169 L N 0.527 121.585 121.223 -0.275 0.000 2.275 169 L HA 0.088 4.428 4.340 -0.001 0.000 0.215 169 L C 2.237 178.979 176.870 -0.215 0.000 1.119 169 L CA 0.989 55.709 54.840 -0.201 0.000 0.790 169 L CB -0.685 41.232 42.059 -0.236 0.000 0.919 169 L HN 0.240 nan 8.230 nan 0.000 0.443 170 L N -2.051 118.952 121.223 -0.366 0.000 2.005 170 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 170 L C 2.318 179.001 176.870 -0.311 0.000 1.072 170 L CA 1.103 55.664 54.840 -0.465 0.000 0.744 170 L CB -0.307 41.377 42.059 -0.625 0.000 0.895 170 L HN 0.171 nan 8.230 nan 0.000 0.433 171 F N -1.028 118.759 119.950 -0.272 0.000 2.269 171 F HA -0.215 4.312 4.527 -0.001 0.000 0.301 171 F C 2.643 178.284 175.800 -0.264 0.000 1.082 171 F CA 0.839 58.667 58.000 -0.287 0.000 1.360 171 F CB -1.100 37.780 39.000 -0.200 0.000 1.041 171 F HN 0.222 nan 8.300 nan 0.000 0.512 172 H N -1.032 118.017 119.070 -0.035 0.000 2.436 172 H HA 0.007 4.562 4.556 -0.001 0.000 0.294 172 H C 2.297 177.590 175.328 -0.058 0.000 1.048 172 H CA 1.268 57.276 56.048 -0.066 0.000 1.353 172 H CB 0.063 29.755 29.762 -0.117 0.000 1.414 172 H HN 0.156 nan 8.280 nan 0.000 0.536 173 S N 0.846 116.563 115.700 0.029 0.000 2.335 173 S HA -0.092 4.377 4.470 -0.001 0.000 0.217 173 S C 2.378 177.141 174.600 0.271 0.000 1.032 173 S CA 1.171 59.474 58.200 0.172 0.000 0.985 173 S CB -0.243 62.952 63.200 -0.010 0.000 0.896 173 S HN 0.499 nan 8.310 nan 0.000 0.445 174 I N 1.765 122.338 120.570 0.006 0.000 2.091 174 I HA -0.211 3.958 4.170 -0.001 0.000 0.239 174 I C 2.549 178.747 176.117 0.136 0.000 1.061 174 I CA 1.981 63.287 61.300 0.011 0.000 1.317 174 I CB -1.879 35.787 38.000 -0.557 0.000 1.031 174 I HN 0.351 nan 8.210 nan 0.000 0.401 175 T N -1.924 112.631 114.554 0.002 0.000 2.897 175 T HA -0.161 4.189 4.350 -0.001 0.000 0.271 175 T C 1.957 176.779 174.700 0.204 0.000 1.084 175 T CA 1.560 63.746 62.100 0.143 0.000 1.123 175 T CB -0.511 68.369 68.868 0.020 0.000 0.865 175 T HN 0.537 nan 8.240 nan 0.000 0.496 176 S N 1.553 117.407 115.700 0.257 0.000 2.356 176 S HA -0.072 4.398 4.470 -0.001 0.000 0.219 176 S C 2.137 177.009 174.600 0.453 0.000 1.036 176 S CA 0.603 59.018 58.200 0.358 0.000 0.965 176 S CB -0.645 62.817 63.200 0.437 0.000 0.864 176 S HN 0.503 nan 8.310 nan 0.000 0.471 177 N N 1.901 120.908 118.700 0.511 0.000 2.247 177 N HA -0.116 4.623 4.740 -0.001 0.000 0.189 177 N C 1.685 177.395 175.510 0.333 0.000 1.009 177 N CA 1.394 54.701 53.050 0.429 0.000 0.872 177 N CB -0.477 38.238 38.487 0.379 0.000 0.980 177 N HN 0.433 nan 8.380 nan 0.000 0.436 178 I N 1.573 122.331 120.570 0.313 0.000 2.087 178 I HA -0.190 3.980 4.170 -0.001 0.000 0.231 178 I C 2.417 178.646 176.117 0.187 0.000 1.058 178 I CA 0.704 62.146 61.300 0.237 0.000 1.328 178 I CB -1.380 36.760 38.000 0.233 0.000 1.079 178 I HN 0.089 nan 8.210 nan 0.000 0.397 179 I N 1.027 121.694 120.570 0.161 0.000 2.423 179 I HA -0.316 3.854 4.170 -0.001 0.000 0.254 179 I C 2.688 178.872 176.117 0.111 0.000 1.151 179 I CA 1.591 62.945 61.300 0.090 0.000 1.421 179 I CB -0.579 37.457 38.000 0.061 0.000 1.079 179 I HN 0.393 nan 8.210 nan 0.000 0.431 180 C N 1.291 120.737 119.300 0.243 0.000 2.435 180 C HA -0.064 4.395 4.460 -0.001 0.000 0.279 180 C C 3.106 178.296 174.990 0.335 0.000 1.321 180 C CA 1.491 60.703 59.018 0.324 0.000 1.752 180 C CB -1.297 26.755 27.740 0.521 0.000 1.959 180 C HN 0.774 nan 8.230 nan 0.000 0.500 181 S N -0.794 115.067 115.700 0.268 0.000 2.575 181 S HA 0.160 4.630 4.470 -0.001 0.000 0.215 181 S C 1.107 175.835 174.600 0.213 0.000 0.966 181 S CA 0.335 58.678 58.200 0.238 0.000 0.911 181 S CB -0.373 62.942 63.200 0.191 0.000 0.780 181 S HN 0.461 nan 8.310 nan 0.000 0.514 182 I N 0.820 121.485 120.570 0.158 0.000 3.783 182 I HA 0.250 4.420 4.170 -0.001 0.000 0.310 182 I C 1.651 177.821 176.117 0.087 0.000 1.274 182 I CA 0.330 61.719 61.300 0.147 0.000 1.294 182 I CB 0.545 38.569 38.000 0.040 0.000 1.051 182 I HN 0.176 nan 8.210 nan 0.000 0.435 183 V N -1.463 118.440 119.914 -0.020 0.000 3.013 183 V HA 0.082 4.202 4.120 -0.001 0.000 0.238 183 V C 1.480 177.448 176.094 -0.211 0.000 1.161 183 V CA 0.864 63.036 62.300 -0.213 0.000 1.170 183 V CB -0.158 31.282 31.823 -0.637 0.000 0.917 183 V HN 0.138 nan 8.190 nan 0.000 0.478 184 F N 0.853 120.873 119.950 0.117 0.000 2.717 184 F HA 0.501 5.028 4.527 -0.001 0.000 0.295 184 F C 2.014 177.998 175.800 0.306 0.000 1.117 184 F CA 0.634 58.735 58.000 0.168 0.000 1.361 184 F CB -0.018 39.097 39.000 0.193 0.000 1.112 184 F HN 0.255 nan 8.300 nan 0.000 0.594 185 G N 0.822 109.848 108.800 0.378 0.000 2.205 185 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.261 185 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.261 185 G C 0.387 175.388 174.900 0.167 0.000 0.980 185 G CA 0.576 45.838 45.100 0.270 0.000 0.632 185 G HN 0.492 nan 8.290 nan 0.000 0.533 186 K N -0.330 120.171 120.400 0.168 0.000 2.443 186 K HA 0.779 5.098 4.320 -0.001 0.000 0.251 186 K C 0.249 176.808 176.600 -0.069 0.000 0.972 186 K CA -1.044 55.226 56.287 -0.028 0.000 0.833 186 K CB 1.829 34.223 32.500 -0.176 0.000 1.317 186 K HN 0.485 nan 8.250 nan 0.000 0.441 187 R N 0.200 120.576 120.500 -0.207 0.000 2.843 187 R HA 0.582 4.922 4.340 -0.001 0.000 0.232 187 R C -1.188 174.784 176.300 -0.546 0.000 1.305 187 R CA -0.734 55.286 56.100 -0.134 0.000 1.096 187 R CB 0.669 30.954 30.300 -0.025 0.000 1.455 187 R HN 0.444 nan 8.270 nan 0.000 0.520 188 F N -1.043 118.657 119.950 -0.416 0.000 2.599 188 F HA 0.254 4.780 4.527 -0.001 0.000 0.311 188 F C -0.498 175.056 175.800 -0.410 0.000 1.076 188 F CA -1.048 56.595 58.000 -0.596 0.000 0.937 188 F CB 1.967 40.122 39.000 -1.409 0.000 1.282 188 F HN 0.621 nan 8.300 nan 0.000 0.460 189 D N 0.352 120.738 120.400 -0.024 0.000 2.389 189 D HA 0.076 4.716 4.640 -0.001 0.000 0.247 189 D C 0.520 176.991 176.300 0.285 0.000 1.128 189 D CA 0.127 54.137 54.000 0.016 0.000 0.884 189 D CB 0.552 41.369 40.800 0.028 0.000 1.194 189 D HN 0.350 nan 8.370 nan 0.000 0.441 190 Y N 2.050 122.466 120.300 0.194 0.000 2.736 190 Y HA -0.039 4.510 4.550 -0.001 0.000 0.298 190 Y C 1.270 177.286 175.900 0.194 0.000 1.156 190 Y CA 0.739 58.984 58.100 0.242 0.000 1.384 190 Y CB -0.335 38.202 38.460 0.129 0.000 0.976 190 Y HN 0.430 nan 8.280 nan 0.000 0.556 191 K N -0.498 120.090 120.400 0.313 0.000 2.564 191 K HA 0.043 4.363 4.320 -0.001 0.000 0.201 191 K C -0.190 176.526 176.600 0.194 0.000 1.086 191 K CA -0.192 56.217 56.287 0.204 0.000 1.062 191 K CB 0.674 33.254 32.500 0.132 0.000 0.849 191 K HN -0.041 nan 8.250 nan 0.000 0.529 192 D N 1.808 122.376 120.400 0.279 0.000 2.425 192 D HA 0.013 4.653 4.640 -0.001 0.000 0.247 192 D C -1.793 174.640 176.300 0.221 0.000 1.147 192 D CA -1.630 52.528 54.000 0.264 0.000 0.879 192 D CB 1.531 42.563 40.800 0.387 0.000 1.179 192 D HN -0.104 nan 8.370 nan 0.000 0.456 193 P HA -0.150 nan 4.420 nan 0.000 0.216 193 P C 1.466 178.826 177.300 0.099 0.000 1.150 193 P CA 0.597 63.759 63.100 0.103 0.000 0.837 193 P CB 0.378 32.128 31.700 0.083 0.000 0.786 194 V N -1.173 118.832 119.914 0.153 0.000 2.273 194 V HA -0.193 3.926 4.120 -0.001 0.000 0.242 194 V C 2.143 178.286 176.094 0.082 0.000 1.035 194 V CA 1.433 63.814 62.300 0.136 0.000 1.013 194 V CB -1.362 30.605 31.823 0.240 0.000 0.652 194 V HN -0.017 nan 8.190 nan 0.000 0.452 195 F N 0.989 120.912 119.950 -0.045 0.000 2.063 195 F HA -0.266 4.260 4.527 -0.001 0.000 0.298 195 F C 2.070 177.797 175.800 -0.122 0.000 1.105 195 F CA 1.838 59.717 58.000 -0.202 0.000 1.215 195 F CB -0.562 38.400 39.000 -0.064 0.000 0.972 195 F HN 0.018 nan 8.300 nan 0.000 0.483 196 L N -0.254 120.924 121.223 -0.074 0.000 2.353 196 L HA -0.184 4.156 4.340 -0.001 0.000 0.220 196 L C 2.461 179.206 176.870 -0.208 0.000 1.133 196 L CA 1.204 55.925 54.840 -0.199 0.000 0.798 196 L CB -0.701 41.328 42.059 -0.051 0.000 0.922 196 L HN 0.163 nan 8.230 nan 0.000 0.445 197 R N 1.119 121.521 120.500 -0.164 0.000 2.055 197 R HA -0.058 4.281 4.340 -0.001 0.000 0.226 197 R C 2.130 178.260 176.300 -0.285 0.000 1.135 197 R CA 1.440 57.437 56.100 -0.172 0.000 0.959 197 R CB -0.670 29.565 30.300 -0.108 0.000 0.854 197 R HN 0.191 nan 8.270 nan 0.000 0.431 198 L N 0.475 121.473 121.223 -0.376 0.000 2.012 198 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 198 L C 2.464 178.938 176.870 -0.659 0.000 1.073 198 L CA 1.498 55.971 54.840 -0.612 0.000 0.748 198 L CB -0.770 40.883 42.059 -0.676 0.000 0.891 198 L HN 0.197 nan 8.230 nan 0.000 0.431 199 L N 0.038 120.985 121.223 -0.460 0.000 2.043 199 L HA -0.280 4.060 4.340 -0.001 0.000 0.212 199 L C 2.288 178.986 176.870 -0.287 0.000 1.075 199 L CA 1.782 56.437 54.840 -0.309 0.000 0.752 199 L CB -0.688 41.076 42.059 -0.492 0.000 0.891 199 L HN 0.345 nan 8.230 nan 0.000 0.432 200 D N -0.049 120.192 120.400 -0.264 0.000 2.218 200 D HA -0.161 4.478 4.640 -0.001 0.000 0.204 200 D C 2.273 178.516 176.300 -0.096 0.000 0.976 200 D CA 0.876 54.793 54.000 -0.138 0.000 0.853 200 D CB 0.109 40.839 40.800 -0.117 0.000 0.939 200 D HN 0.214 nan 8.370 nan 0.000 0.481 201 L N -0.717 120.355 121.223 -0.251 0.000 2.005 201 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 201 L C 2.106 178.865 176.870 -0.185 0.000 1.072 201 L CA 0.677 55.343 54.840 -0.290 0.000 0.744 201 L CB -0.476 41.286 42.059 -0.496 0.000 0.895 201 L HN 0.080 nan 8.230 nan 0.000 0.433 202 F N -0.560 119.325 119.950 -0.109 0.000 2.120 202 F HA -0.298 4.229 4.527 -0.001 0.000 0.300 202 F C 2.262 178.196 175.800 0.224 0.000 1.095 202 F CA 1.364 59.427 58.000 0.106 0.000 1.249 202 F CB -0.968 38.042 39.000 0.016 0.000 0.995 202 F HN -0.000 nan 8.300 nan 0.000 0.480 203 F N 1.694 121.663 119.950 0.032 0.000 1.983 203 F HA -0.240 4.287 4.527 -0.001 0.000 0.295 203 F C 2.834 178.728 175.800 0.156 0.000 1.197 203 F CA 2.059 60.079 58.000 0.033 0.000 1.165 203 F CB -1.359 37.550 39.000 -0.152 0.000 0.970 203 F HN 0.142 nan 8.300 nan 0.000 0.488 204 Q N 0.024 119.706 119.800 -0.197 0.000 2.242 204 Q HA -0.233 4.106 4.340 -0.001 0.000 0.211 204 Q C 2.080 177.994 176.000 -0.144 0.000 0.992 204 Q CA 2.334 57.968 55.803 -0.283 0.000 0.889 204 Q CB -0.981 27.710 28.738 -0.078 0.000 0.913 204 Q HN 0.436 nan 8.270 nan 0.000 0.422 205 S N 0.472 116.162 115.700 -0.017 0.000 2.345 205 S HA -0.105 4.364 4.470 -0.001 0.000 0.220 205 S C 1.377 176.068 174.600 0.152 0.000 1.031 205 S CA 1.160 59.375 58.200 0.026 0.000 0.996 205 S CB -0.464 62.718 63.200 -0.031 0.000 0.882 205 S HN 0.499 nan 8.310 nan 0.000 0.445 206 F N 1.953 122.033 119.950 0.216 0.000 2.161 206 F HA -0.104 4.423 4.527 -0.001 0.000 0.300 206 F C 2.649 178.473 175.800 0.040 0.000 1.089 206 F CA 1.385 59.540 58.000 0.258 0.000 1.282 206 F CB -0.501 38.643 39.000 0.240 0.000 1.010 206 F HN 0.169 nan 8.300 nan 0.000 0.485 207 S N -0.376 115.300 115.700 -0.039 0.000 2.428 207 S HA -0.046 4.424 4.470 -0.001 0.000 0.230 207 S C 2.005 176.514 174.600 -0.151 0.000 1.014 207 S CA 0.578 58.671 58.200 -0.179 0.000 0.957 207 S CB -0.314 62.652 63.200 -0.390 0.000 0.784 207 S HN 0.280 nan 8.310 nan 0.000 0.499 208 L N 1.283 122.436 121.223 -0.116 0.000 2.095 208 L HA 0.181 4.520 4.340 -0.001 0.000 0.204 208 L C 2.032 178.856 176.870 -0.077 0.000 1.080 208 L CA 1.366 56.155 54.840 -0.084 0.000 0.759 208 L CB -1.040 40.975 42.059 -0.074 0.000 0.914 208 L HN 0.392 nan 8.230 nan 0.000 0.439 209 I N -0.813 119.706 120.570 -0.084 0.000 2.567 209 I HA -0.217 3.953 4.170 -0.001 0.000 0.257 209 I C 1.923 177.966 176.117 -0.124 0.000 1.184 209 I CA 0.745 62.000 61.300 -0.074 0.000 1.451 209 I CB -0.117 37.861 38.000 -0.037 0.000 1.089 209 I HN 0.121 nan 8.210 nan 0.000 0.441 210 S N -0.303 115.273 115.700 -0.208 0.000 2.575 210 S HA 0.053 4.523 4.470 -0.001 0.000 0.215 210 S C 0.987 175.542 174.600 -0.075 0.000 0.966 210 S CA -0.084 58.000 58.200 -0.192 0.000 0.911 210 S CB -0.060 62.969 63.200 -0.285 0.000 0.780 210 S HN 0.399 nan 8.310 nan 0.000 0.514 211 S N 0.572 116.247 115.700 -0.042 0.000 2.587 211 S HA 0.144 4.613 4.470 -0.001 0.000 0.260 211 S C 0.873 175.522 174.600 0.081 0.000 1.353 211 S CA -0.459 57.758 58.200 0.030 0.000 0.995 211 S CB 0.092 63.308 63.200 0.027 0.000 0.912 211 S HN 0.392 nan 8.310 nan 0.000 0.568 212 F N 2.497 122.441 119.950 -0.011 0.000 2.325 212 F HA 0.040 4.567 4.527 -0.001 0.000 0.299 212 F C 2.166 177.976 175.800 0.017 0.000 1.090 212 F CA 1.689 59.690 58.000 0.002 0.000 1.392 212 F CB -0.568 38.433 39.000 0.002 0.000 1.053 212 F HN 0.575 nan 8.300 nan 0.000 0.521 213 S N -0.097 115.679 115.700 0.127 0.000 2.355 213 S HA -0.178 4.292 4.470 -0.001 0.000 0.222 213 S C 2.088 176.675 174.600 -0.022 0.000 1.031 213 S CA 1.431 59.661 58.200 0.050 0.000 0.993 213 S CB -0.652 62.605 63.200 0.095 0.000 0.859 213 S HN 0.433 nan 8.310 nan 0.000 0.453 214 S N 1.818 117.511 115.700 -0.012 0.000 2.419 214 S HA -0.161 4.309 4.470 -0.001 0.000 0.235 214 S C 1.916 176.543 174.600 0.045 0.000 1.019 214 S CA 1.060 59.275 58.200 0.024 0.000 0.982 214 S CB -0.285 62.922 63.200 0.010 0.000 0.789 214 S HN 0.538 nan 8.310 nan 0.000 0.490 215 Q N -0.110 119.637 119.800 -0.087 0.000 2.123 215 Q HA 0.126 4.465 4.340 -0.001 0.000 0.196 215 Q C 2.203 178.034 176.000 -0.282 0.000 0.958 215 Q CA 0.830 56.536 55.803 -0.161 0.000 0.841 215 Q CB -0.229 28.377 28.738 -0.220 0.000 0.915 215 Q HN 0.418 nan 8.270 nan 0.000 0.455 216 V N 0.431 120.099 119.914 -0.410 0.000 3.305 216 V HA -0.115 4.004 4.120 -0.001 0.000 0.269 216 V C 1.239 177.224 176.094 -0.182 0.000 1.157 216 V CA 0.994 63.062 62.300 -0.386 0.000 1.157 216 V CB -0.321 31.256 31.823 -0.410 0.000 0.772 216 V HN 0.321 nan 8.190 nan 0.000 0.498 217 F N 0.938 120.749 119.950 -0.232 0.000 2.437 217 F HA 0.178 4.705 4.527 -0.001 0.000 0.288 217 F C 2.036 177.735 175.800 -0.168 0.000 1.085 217 F CA 1.381 59.287 58.000 -0.157 0.000 1.430 217 F CB -0.014 38.919 39.000 -0.113 0.000 1.120 217 F HN 0.267 nan 8.300 nan 0.000 0.556 218 E N 0.682 120.838 120.200 -0.073 0.000 2.171 218 E HA -0.192 4.158 4.350 -0.001 0.000 0.197 218 E C 1.757 178.199 176.600 -0.262 0.000 0.997 218 E CA 1.643 57.969 56.400 -0.123 0.000 0.810 218 E CB -0.396 29.283 29.700 -0.035 0.000 0.738 218 E HN 0.406 nan 8.360 nan 0.000 0.467 219 L N -0.958 120.008 121.223 -0.428 0.000 2.062 219 L HA 0.099 4.439 4.340 -0.001 0.000 0.202 219 L C 0.508 177.067 176.870 -0.520 0.000 1.079 219 L CA 1.149 55.611 54.840 -0.630 0.000 0.755 219 L CB -0.286 41.061 42.059 -1.187 0.000 0.913 219 L HN 0.065 nan 8.230 nan 0.000 0.445 220 F N -0.708 119.179 119.950 -0.104 0.000 2.366 220 F HA 0.312 4.839 4.527 -0.000 0.000 0.328 220 F C 1.388 177.048 175.800 -0.234 0.000 1.180 220 F CA -0.508 57.458 58.000 -0.057 0.000 1.232 220 F CB -0.504 38.566 39.000 0.117 0.000 1.513 220 F HN -0.013 nan 8.300 nan 0.000 0.540 221 S N 0.515 115.988 115.700 -0.379 0.000 2.387 221 S HA 0.035 4.505 4.470 -0.001 0.000 0.221 221 S C 2.275 176.681 174.600 -0.322 0.000 1.041 221 S CA 0.814 58.466 58.200 -0.912 0.000 0.959 221 S CB -0.896 61.464 63.200 -1.401 0.000 0.843 221 S HN 0.548 nan 8.310 nan 0.000 0.488 222 G N 0.610 109.341 108.800 -0.114 0.000 2.532 222 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.222 222 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.222 222 G C 1.194 176.275 174.900 0.301 0.000 1.102 222 G CA 1.023 46.163 45.100 0.067 0.000 0.742 222 G HN 0.633 nan 8.290 nan 0.000 0.577 223 F N -0.094 119.941 119.950 0.141 0.000 2.315 223 F HA 0.314 4.841 4.527 -0.001 0.000 0.284 223 F C 1.926 177.964 175.800 0.396 0.000 1.049 223 F CA -0.029 58.134 58.000 0.272 0.000 1.323 223 F CB 0.252 39.361 39.000 0.181 0.000 1.113 223 F HN -0.053 nan 8.300 nan 0.000 0.544 224 L N 2.076 123.296 121.223 -0.005 0.000 2.675 224 L HA -0.017 4.322 4.340 -0.001 0.000 0.239 224 L C 1.781 178.766 176.870 0.193 0.000 1.151 224 L CA 0.350 55.185 54.840 -0.007 0.000 0.905 224 L CB -0.552 41.529 42.059 0.036 0.000 1.057 224 L HN 0.323 nan 8.230 nan 0.000 0.435 225 K N -1.324 119.137 120.400 0.102 0.000 2.244 225 K HA -0.055 4.265 4.320 -0.001 0.000 0.200 225 K C 1.282 177.842 176.600 -0.066 0.000 1.052 225 K CA 0.445 56.700 56.287 -0.054 0.000 0.980 225 K CB -0.271 32.111 32.500 -0.198 0.000 0.838 225 K HN 0.109 nan 8.250 nan 0.000 0.481 226 Y N 0.873 121.154 120.300 -0.032 0.000 2.619 226 Y HA 0.131 4.680 4.550 -0.001 0.000 0.308 226 Y C -0.200 175.335 175.900 -0.608 0.000 1.192 226 Y CA 0.031 57.951 58.100 -0.300 0.000 1.319 226 Y CB -0.197 38.020 38.460 -0.406 0.000 1.030 226 Y HN -0.090 nan 8.280 nan 0.000 0.517 227 F N 0.355 120.422 119.950 0.196 0.000 2.565 227 F HA 0.401 4.927 4.527 -0.000 0.000 0.313 227 F C -2.380 173.513 175.800 0.154 0.000 1.091 227 F CA -3.607 54.476 58.000 0.138 0.000 0.915 227 F CB 1.409 40.444 39.000 0.059 0.000 1.208 227 F HN -0.283 nan 8.300 nan 0.000 0.453 228 P HA 0.252 nan 4.420 nan 0.000 0.262 228 P C -0.367 176.974 177.300 0.068 0.000 1.199 228 P CA 0.366 63.520 63.100 0.089 0.000 0.763 228 P CB 0.760 32.501 31.700 0.069 0.000 0.790 229 G N 1.415 110.154 108.800 -0.102 0.000 2.682 229 G HA2 0.378 4.337 3.960 -0.001 0.000 0.290 229 G HA3 0.378 4.337 3.960 -0.001 0.000 0.290 229 G C 0.418 175.166 174.900 -0.253 0.000 1.425 229 G CA -0.300 44.770 45.100 -0.049 0.000 0.807 229 G HN 0.389 nan 8.290 nan 0.000 0.482 230 T N -2.064 112.412 114.554 -0.129 0.000 3.320 230 T HA -0.052 4.297 4.350 -0.001 0.000 0.258 230 T C 1.469 176.043 174.700 -0.210 0.000 1.176 230 T CA 1.803 63.815 62.100 -0.148 0.000 1.037 230 T CB -0.663 68.165 68.868 -0.067 0.000 0.958 230 T HN 0.780 nan 8.240 nan 0.000 0.545 231 H N -0.738 118.153 119.070 -0.300 0.000 2.595 231 H HA 0.401 4.956 4.556 -0.001 0.000 0.265 231 H C 2.206 177.386 175.328 -0.247 0.000 0.953 231 H CA -0.112 55.676 56.048 -0.434 0.000 1.197 231 H CB -0.021 29.123 29.762 -1.030 0.000 1.438 231 H HN 0.304 nan 8.280 nan 0.000 0.531 232 R N -0.020 120.060 120.500 -0.700 0.000 2.173 232 R HA -0.002 4.337 4.340 -0.001 0.000 0.208 232 R C 1.706 177.922 176.300 -0.140 0.000 1.035 232 R CA 0.888 56.766 56.100 -0.370 0.000 1.004 232 R CB 0.104 30.145 30.300 -0.431 0.000 0.917 232 R HN 0.318 nan 8.270 nan 0.000 0.462 233 Q N 1.460 121.156 119.800 -0.172 0.000 2.230 233 Q HA 0.010 4.350 4.340 -0.001 0.000 0.202 233 Q C 1.714 177.662 176.000 -0.088 0.000 0.963 233 Q CA 1.301 57.039 55.803 -0.108 0.000 0.866 233 Q CB 0.019 28.691 28.738 -0.111 0.000 0.931 233 Q HN 0.319 nan 8.270 nan 0.000 0.452 234 I N -0.533 119.987 120.570 -0.084 0.000 2.286 234 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 234 I C 1.875 177.962 176.117 -0.051 0.000 1.104 234 I CA 0.992 62.249 61.300 -0.071 0.000 1.397 234 I CB -0.327 37.640 38.000 -0.054 0.000 1.072 234 I HN 0.256 nan 8.210 nan 0.000 0.417 235 Y N 1.919 122.145 120.300 -0.122 0.000 2.128 235 Y HA -0.304 4.245 4.550 -0.001 0.000 0.284 235 Y C 2.788 178.618 175.900 -0.116 0.000 1.154 235 Y CA 1.809 59.846 58.100 -0.105 0.000 1.149 235 Y CB -0.310 38.102 38.460 -0.079 0.000 0.976 235 Y HN -0.048 nan 8.280 nan 0.000 0.505 236 R N 0.192 120.688 120.500 -0.006 0.000 2.080 236 R HA -0.217 4.122 4.340 -0.001 0.000 0.236 236 R C 1.957 178.145 176.300 -0.186 0.000 1.137 236 R CA 2.141 58.188 56.100 -0.088 0.000 0.943 236 R CB -0.407 29.879 30.300 -0.023 0.000 0.846 236 R HN 0.371 nan 8.270 nan 0.000 0.431 237 N N 0.556 119.153 118.700 -0.172 0.000 2.036 237 N HA -0.184 4.556 4.740 -0.001 0.000 0.195 237 N C 1.769 177.113 175.510 -0.277 0.000 1.037 237 N CA 1.465 54.389 53.050 -0.211 0.000 0.855 237 N CB -0.338 38.030 38.487 -0.199 0.000 1.033 237 N HN 0.202 nan 8.380 nan 0.000 0.423 238 L N 0.573 121.615 121.223 -0.303 0.000 2.127 238 L HA -0.213 4.126 4.340 -0.001 0.000 0.211 238 L C 2.413 179.077 176.870 -0.343 0.000 1.089 238 L CA 1.054 55.690 54.840 -0.341 0.000 0.757 238 L CB -0.296 41.555 42.059 -0.346 0.000 0.899 238 L HN 0.268 nan 8.230 nan 0.000 0.434 239 Q N -0.127 119.432 119.800 -0.401 0.000 1.967 239 Q HA -0.289 4.051 4.340 -0.001 0.000 0.202 239 Q C 2.036 177.915 176.000 -0.201 0.000 0.985 239 Q CA 1.934 57.523 55.803 -0.356 0.000 0.839 239 Q CB -0.379 28.127 28.738 -0.387 0.000 0.906 239 Q HN 0.532 nan 8.270 nan 0.000 0.423 240 E N 0.324 120.418 120.200 -0.177 0.000 2.147 240 E HA -0.212 4.138 4.350 -0.001 0.000 0.199 240 E C 1.945 178.492 176.600 -0.089 0.000 1.005 240 E CA 1.168 57.498 56.400 -0.116 0.000 0.810 240 E CB -0.176 29.443 29.700 -0.135 0.000 0.736 240 E HN 0.359 nan 8.360 nan 0.000 0.460 241 I N 0.997 121.470 120.570 -0.161 0.000 2.546 241 I HA -0.204 3.966 4.170 -0.001 0.000 0.255 241 I C 1.899 178.068 176.117 0.087 0.000 1.163 241 I CA 0.517 61.745 61.300 -0.120 0.000 1.457 241 I CB -0.284 37.551 38.000 -0.276 0.000 1.092 241 I HN 0.160 nan 8.210 nan 0.000 0.434 242 N N 0.223 118.930 118.700 0.011 0.000 2.333 242 N HA -0.072 4.668 4.740 -0.001 0.000 0.178 242 N C 1.791 177.355 175.510 0.091 0.000 1.018 242 N CA 1.242 54.322 53.050 0.051 0.000 0.882 242 N CB -0.311 38.135 38.487 -0.068 0.000 0.984 242 N HN 0.252 nan 8.380 nan 0.000 0.434 243 T N 1.005 115.595 114.554 0.059 0.000 2.803 243 T HA -0.122 4.227 4.350 -0.001 0.000 0.269 243 T C 1.540 176.316 174.700 0.127 0.000 1.052 243 T CA 0.800 62.940 62.100 0.067 0.000 1.136 243 T CB -0.271 68.619 68.868 0.037 0.000 0.864 243 T HN 0.228 nan 8.240 nan 0.000 0.467 244 F N 1.194 121.158 119.950 0.023 0.000 2.270 244 F HA 0.210 4.736 4.527 -0.001 0.000 0.295 244 F C 1.831 177.684 175.800 0.088 0.000 1.087 244 F CA 0.444 58.469 58.000 0.042 0.000 1.365 244 F CB -0.323 38.697 39.000 0.035 0.000 1.056 244 F HN 0.064 nan 8.300 nan 0.000 0.506 245 I N 0.271 121.129 120.570 0.480 0.000 2.315 245 I HA -0.155 4.015 4.170 -0.001 0.000 0.248 245 I C 2.682 178.924 176.117 0.207 0.000 1.117 245 I CA 1.165 62.727 61.300 0.436 0.000 1.404 245 I CB -1.334 36.906 38.000 0.400 0.000 1.071 245 I HN 0.300 nan 8.210 nan 0.000 0.419 246 G N 1.359 110.243 108.800 0.141 0.000 2.552 246 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.216 246 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.216 246 G C 1.499 176.452 174.900 0.088 0.000 1.240 246 G CA 0.982 46.154 45.100 0.119 0.000 0.796 246 G HN 0.551 nan 8.290 nan 0.000 0.568 247 Q N -0.084 119.734 119.800 0.030 0.000 2.112 247 Q HA -0.129 4.210 4.340 -0.001 0.000 0.206 247 Q C 2.412 178.397 176.000 -0.026 0.000 0.987 247 Q CA 2.040 57.838 55.803 -0.007 0.000 0.858 247 Q CB -0.719 27.990 28.738 -0.048 0.000 0.905 247 Q HN 0.384 nan 8.270 nan 0.000 0.420 248 S N -0.150 115.476 115.700 -0.123 0.000 2.465 248 S HA -0.084 4.386 4.470 -0.001 0.000 0.241 248 S C 1.685 176.375 174.600 0.150 0.000 1.000 248 S CA 1.049 59.187 58.200 -0.102 0.000 0.964 248 S CB -0.111 62.874 63.200 -0.357 0.000 0.763 248 S HN 0.386 nan 8.310 nan 0.000 0.512 249 V N 0.796 120.784 119.914 0.124 0.000 2.878 249 V HA 0.071 4.191 4.120 -0.001 0.000 0.250 249 V C 2.591 178.795 176.094 0.184 0.000 1.075 249 V CA 0.814 63.204 62.300 0.151 0.000 1.096 249 V CB -0.402 31.506 31.823 0.141 0.000 0.724 249 V HN 0.345 nan 8.190 nan 0.000 0.467 250 E N 1.261 121.538 120.200 0.128 0.000 2.023 250 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 250 E C 2.235 178.895 176.600 0.099 0.000 1.003 250 E CA 1.439 57.894 56.400 0.093 0.000 0.809 250 E CB -0.175 29.556 29.700 0.050 0.000 0.755 250 E HN 0.568 nan 8.360 nan 0.000 0.449 251 K N -0.394 120.065 120.400 0.099 0.000 2.152 251 K HA -0.177 4.143 4.320 -0.001 0.000 0.206 251 K C 2.116 178.745 176.600 0.047 0.000 1.048 251 K CA 1.353 57.672 56.287 0.052 0.000 0.933 251 K CB -0.285 32.226 32.500 0.018 0.000 0.721 251 K HN 0.221 nan 8.250 nan 0.000 0.447 252 H N -0.103 119.003 119.070 0.060 0.000 2.428 252 H HA 0.016 4.572 4.556 -0.001 0.000 0.296 252 H C 2.127 177.500 175.328 0.074 0.000 1.062 252 H CA 1.208 57.306 56.048 0.083 0.000 1.350 252 H CB 0.158 29.998 29.762 0.130 0.000 1.403 252 H HN 0.102 nan 8.280 nan 0.000 0.533 253 R N 0.516 121.128 120.500 0.186 0.000 2.052 253 R HA 0.045 4.384 4.340 -0.001 0.000 0.226 253 R C 2.092 178.435 176.300 0.072 0.000 1.145 253 R CA 0.989 57.162 56.100 0.122 0.000 0.952 253 R CB -0.281 30.082 30.300 0.107 0.000 0.847 253 R HN 0.276 nan 8.270 nan 0.000 0.431 254 A N 0.270 123.124 122.820 0.056 0.000 2.272 254 A HA -0.106 4.214 4.320 -0.001 0.000 0.213 254 A C 1.350 178.942 177.584 0.013 0.000 1.183 254 A CA 1.788 53.842 52.037 0.028 0.000 0.719 254 A CB -0.459 18.553 19.000 0.020 0.000 0.771 254 A HN 0.662 nan 8.150 nan 0.000 0.484 255 T N -4.323 110.238 114.554 0.012 0.000 3.328 255 T HA 0.343 4.692 4.350 -0.001 0.000 0.305 255 T C -0.009 174.691 174.700 -0.000 0.000 0.939 255 T CA -0.308 61.786 62.100 -0.010 0.000 0.950 255 T CB -0.620 68.221 68.868 -0.045 0.000 1.182 255 T HN 0.184 nan 8.240 nan 0.000 0.545 256 L N 2.861 124.102 121.223 0.030 0.000 2.499 256 L HA 0.547 4.887 4.340 -0.001 0.000 0.273 256 L C -0.406 176.481 176.870 0.028 0.000 1.195 256 L CA 0.569 55.438 54.840 0.047 0.000 0.882 256 L CB 0.514 42.617 42.059 0.075 0.000 1.133 256 L HN 0.332 nan 8.230 nan 0.000 0.483 257 D N 5.812 126.227 120.400 0.025 0.000 2.412 257 D HA 0.420 5.060 4.640 -0.001 0.000 0.276 257 D C -1.868 174.442 176.300 0.018 0.000 1.196 257 D CA -1.629 52.379 54.000 0.014 0.000 0.905 257 D CB 1.210 42.011 40.800 0.001 0.000 1.081 257 D HN 0.358 nan 8.370 nan 0.000 0.502 258 P HA -0.235 nan 4.420 nan 0.000 0.219 258 P C 1.237 178.544 177.300 0.012 0.000 1.151 258 P CA 0.987 64.100 63.100 0.021 0.000 0.850 258 P CB 0.313 32.023 31.700 0.017 0.000 0.784 259 S N -1.483 114.220 115.700 0.005 0.000 2.369 259 S HA -0.167 4.302 4.470 -0.001 0.000 0.225 259 S C 1.118 175.714 174.600 -0.006 0.000 1.043 259 S CA 1.281 59.479 58.200 -0.002 0.000 1.074 259 S CB -0.649 62.547 63.200 -0.006 0.000 0.962 259 S HN 0.219 nan 8.310 nan 0.000 0.433 260 N N 1.141 119.835 118.700 -0.009 0.000 2.609 260 N HA 0.286 5.026 4.740 -0.001 0.000 0.268 260 N C -3.106 172.394 175.510 -0.017 0.000 1.106 260 N CA -1.515 51.522 53.050 -0.021 0.000 0.823 260 N CB 1.436 39.902 38.487 -0.034 0.000 1.263 260 N HN 0.107 nan 8.380 nan 0.000 0.533 261 P HA 0.164 nan 4.420 nan 0.000 0.269 261 P C 0.170 177.461 177.300 -0.015 0.000 1.215 261 P CA -0.074 63.044 63.100 0.030 0.000 0.780 261 P CB 1.824 33.568 31.700 0.074 0.000 0.898 262 R N 0.653 121.180 120.500 0.045 0.000 2.121 262 R HA 0.112 4.452 4.340 -0.001 0.000 0.206 262 R C 0.433 176.791 176.300 0.096 0.000 1.094 262 R CA 0.909 57.020 56.100 0.018 0.000 1.055 262 R CB -0.023 30.314 30.300 0.063 0.000 0.964 262 R HN 0.648 nan 8.270 nan 0.000 0.473 263 D N -2.204 118.382 120.400 0.310 0.000 2.867 263 D HA 0.027 4.666 4.640 -0.001 0.000 0.308 263 D C 0.234 176.845 176.300 0.517 0.000 1.202 263 D CA -0.793 53.533 54.000 0.543 0.000 1.035 263 D CB -0.170 40.881 40.800 0.418 0.000 1.427 263 D HN -0.157 nan 8.370 nan 0.000 0.570 264 F N 0.129 120.208 119.950 0.215 0.000 2.134 264 F HA 0.086 4.613 4.527 -0.001 0.000 0.299 264 F C 1.788 177.696 175.800 0.181 0.000 1.097 264 F CA 1.398 59.458 58.000 0.099 0.000 1.264 264 F CB -0.099 38.862 39.000 -0.066 0.000 1.001 264 F HN 0.282 nan 8.300 nan 0.000 0.479 265 I N -0.156 120.574 120.570 0.267 0.000 2.394 265 I HA -0.251 3.919 4.170 -0.001 0.000 0.251 265 I C 1.847 178.088 176.117 0.206 0.000 1.136 265 I CA 1.054 62.442 61.300 0.147 0.000 1.425 265 I CB -0.576 37.379 38.000 -0.076 0.000 1.079 265 I HN 0.114 nan 8.210 nan 0.000 0.425 266 D N 0.833 121.384 120.400 0.252 0.000 2.077 266 D HA -0.133 4.507 4.640 -0.001 0.000 0.197 266 D C 2.360 178.781 176.300 0.202 0.000 0.983 266 D CA 1.260 55.402 54.000 0.237 0.000 0.841 266 D CB -0.548 40.393 40.800 0.235 0.000 0.992 266 D HN 0.011 nan 8.370 nan 0.000 0.450 267 V N 0.640 120.681 119.914 0.212 0.000 2.313 267 V HA -0.323 3.797 4.120 -0.001 0.000 0.253 267 V C 2.258 178.466 176.094 0.190 0.000 1.070 267 V CA 1.842 64.260 62.300 0.197 0.000 1.057 267 V CB -0.726 31.222 31.823 0.208 0.000 0.653 267 V HN 0.242 nan 8.190 nan 0.000 0.450 268 Y N -0.112 120.221 120.300 0.054 0.000 2.145 268 Y HA -0.204 4.345 4.550 -0.001 0.000 0.286 268 Y C 2.296 178.187 175.900 -0.014 0.000 1.145 268 Y CA 1.714 59.770 58.100 -0.075 0.000 1.148 268 Y CB -0.196 38.176 38.460 -0.148 0.000 0.981 268 Y HN 0.123 nan 8.280 nan 0.000 0.507 269 L N -0.766 120.625 121.223 0.279 0.000 2.046 269 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 269 L C 2.374 179.302 176.870 0.096 0.000 1.077 269 L CA 1.176 56.141 54.840 0.209 0.000 0.747 269 L CB -0.530 41.648 42.059 0.199 0.000 0.896 269 L HN 0.309 nan 8.230 nan 0.000 0.432 270 L N -0.679 120.587 121.223 0.072 0.000 2.046 270 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 270 L C 2.506 179.353 176.870 -0.039 0.000 1.077 270 L CA 1.201 56.058 54.840 0.028 0.000 0.747 270 L CB -0.386 41.697 42.059 0.039 0.000 0.896 270 L HN 0.221 nan 8.230 nan 0.000 0.432 271 R N -0.321 120.112 120.500 -0.111 0.000 2.320 271 R HA -0.003 4.336 4.340 -0.001 0.000 0.211 271 R C 1.870 177.976 176.300 -0.323 0.000 0.931 271 R CA 0.110 56.051 56.100 -0.264 0.000 1.071 271 R CB 0.177 30.228 30.300 -0.414 0.000 1.025 271 R HN 0.341 nan 8.270 nan 0.000 0.495 272 M N -0.508 119.000 119.600 -0.154 0.000 2.552 272 M HA -0.007 4.473 4.480 -0.001 0.000 0.264 272 M C 1.625 177.985 176.300 0.100 0.000 1.159 272 M CA 1.187 56.480 55.300 -0.011 0.000 1.176 272 M CB 0.393 33.071 32.600 0.130 0.000 1.327 272 M HN -0.013 nan 8.290 nan 0.000 0.481 273 E N 0.797 121.026 120.200 0.047 0.000 2.208 273 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 273 E C 1.786 178.401 176.600 0.024 0.000 0.988 273 E CA 1.295 57.722 56.400 0.045 0.000 0.828 273 E CB -0.165 29.553 29.700 0.029 0.000 0.763 273 E HN 0.418 nan 8.360 nan 0.000 0.478 274 K N -0.176 120.209 120.400 -0.024 0.000 2.366 274 K HA -0.059 4.261 4.320 -0.001 0.000 0.198 274 K C 0.015 176.583 176.600 -0.053 0.000 1.044 274 K CA 1.129 57.385 56.287 -0.052 0.000 0.973 274 K CB 0.225 32.664 32.500 -0.102 0.000 0.767 274 K HN 0.089 nan 8.250 nan 0.000 0.475 275 D N 0.859 121.237 120.400 -0.036 0.000 2.643 275 D HA 0.007 4.647 4.640 -0.001 0.000 0.244 275 D C 0.450 176.828 176.300 0.129 0.000 1.257 275 D CA 0.093 54.063 54.000 -0.049 0.000 0.831 275 D CB 1.051 41.720 40.800 -0.218 0.000 1.043 275 D HN 0.204 nan 8.370 nan 0.000 0.488 276 K N -0.553 119.957 120.400 0.184 0.000 2.186 276 K HA 0.070 4.390 4.320 -0.001 0.000 0.202 276 K C 1.224 177.903 176.600 0.132 0.000 1.052 276 K CA 0.547 56.961 56.287 0.211 0.000 0.965 276 K CB -0.373 32.180 32.500 0.088 0.000 0.746 276 K HN -0.231 nan 8.250 nan 0.000 0.457 277 S N 1.439 117.182 115.700 0.071 0.000 2.930 277 S HA 0.094 4.563 4.470 -0.001 0.000 0.257 277 S C -0.811 173.812 174.600 0.039 0.000 1.208 277 S CA -0.150 58.076 58.200 0.044 0.000 1.233 277 S CB -0.811 62.401 63.200 0.020 0.000 0.900 277 S HN 0.427 nan 8.310 nan 0.000 0.472 278 D N 0.949 121.388 120.400 0.066 0.000 2.266 278 D HA 0.129 4.768 4.640 -0.001 0.000 0.218 278 D C -2.632 173.710 176.300 0.070 0.000 1.311 278 D CA -0.880 53.144 54.000 0.040 0.000 0.918 278 D CB 1.125 41.921 40.800 -0.006 0.000 1.530 278 D HN -0.072 nan 8.370 nan 0.000 0.514 279 P HA 0.104 nan 4.420 nan 0.000 0.259 279 P C 0.114 177.458 177.300 0.072 0.000 1.480 279 P CA 0.089 63.253 63.100 0.108 0.000 0.842 279 P CB -0.165 31.587 31.700 0.086 0.000 1.513 280 S N -3.140 112.581 115.700 0.034 0.000 3.009 280 S HA 0.169 4.639 4.470 -0.001 0.000 0.254 280 S C 0.345 174.937 174.600 -0.013 0.000 1.004 280 S CA -0.373 57.837 58.200 0.017 0.000 1.119 280 S CB -0.333 62.875 63.200 0.014 0.000 1.075 280 S HN 0.034 nan 8.310 nan 0.000 0.618 281 S N 1.635 117.296 115.700 -0.065 0.000 2.452 281 S HA 0.315 4.785 4.470 -0.001 0.000 0.284 281 S C 1.112 175.635 174.600 -0.129 0.000 1.171 281 S CA -0.474 57.653 58.200 -0.122 0.000 1.064 281 S CB 0.645 63.667 63.200 -0.297 0.000 0.967 281 S HN 0.342 nan 8.310 nan 0.000 0.484 282 E N 3.964 124.135 120.200 -0.049 0.000 2.110 282 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 282 E C 0.126 176.612 176.600 -0.191 0.000 0.988 282 E CA 1.053 57.370 56.400 -0.138 0.000 0.804 282 E CB -0.275 29.257 29.700 -0.281 0.000 0.745 282 E HN 0.808 nan 8.360 nan 0.000 0.458 283 F N 1.654 121.432 119.950 -0.286 0.000 2.591 283 F HA 0.042 4.568 4.527 -0.001 0.000 0.378 283 F C 0.361 176.072 175.800 -0.148 0.000 1.181 283 F CA 0.706 58.463 58.000 -0.405 0.000 1.340 283 F CB -0.874 37.661 39.000 -0.775 0.000 1.749 283 F HN -0.066 nan 8.300 nan 0.000 0.662 284 H N -0.833 118.348 119.070 0.185 0.000 3.172 284 H HA 0.135 4.691 4.556 -0.001 0.000 0.322 284 H C 0.660 176.166 175.328 0.297 0.000 1.003 284 H CA -0.742 55.442 56.048 0.226 0.000 1.466 284 H CB 0.705 30.561 29.762 0.156 0.000 1.673 284 H HN 0.390 nan 8.280 nan 0.000 0.512 285 H N 1.142 120.415 119.070 0.338 0.000 1.457 285 H HA -0.407 4.149 4.556 -0.001 0.000 0.090 285 H C 1.985 177.397 175.328 0.141 0.000 0.979 285 H CA 2.737 58.902 56.048 0.194 0.000 1.900 285 H CB -0.104 29.720 29.762 0.104 0.000 2.256 285 H HN 0.636 nan 8.280 nan 0.000 0.961 286 Q N -0.214 119.665 119.800 0.131 0.000 2.146 286 Q HA -0.250 4.089 4.340 -0.001 0.000 0.217 286 Q C 2.041 178.037 176.000 -0.007 0.000 1.023 286 Q CA 2.307 58.108 55.803 -0.002 0.000 0.903 286 Q CB -0.606 28.186 28.738 0.090 0.000 0.990 286 Q HN 0.699 nan 8.270 nan 0.000 0.413 287 N N 0.176 118.963 118.700 0.144 0.000 2.148 287 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 287 N C 1.945 177.449 175.510 -0.009 0.000 1.031 287 N CA 0.614 53.754 53.050 0.149 0.000 0.848 287 N CB -0.561 38.042 38.487 0.193 0.000 1.005 287 N HN 0.124 nan 8.380 nan 0.000 0.427 288 L N 2.070 123.211 121.223 -0.136 0.000 2.064 288 L HA -0.260 4.080 4.340 -0.001 0.000 0.234 288 L C 1.930 178.635 176.870 -0.275 0.000 1.103 288 L CA 1.789 56.296 54.840 -0.555 0.000 0.824 288 L CB -0.887 40.920 42.059 -0.419 0.000 0.919 288 L HN 0.103 nan 8.230 nan 0.000 0.447 289 I N -0.914 119.512 120.570 -0.240 0.000 2.179 289 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 289 I C 2.629 178.720 176.117 -0.044 0.000 1.088 289 I CA 1.541 62.760 61.300 -0.135 0.000 1.357 289 I CB -1.254 36.624 38.000 -0.204 0.000 1.051 289 I HN 0.361 nan 8.210 nan 0.000 0.409 290 L N -0.097 121.103 121.223 -0.039 0.000 2.141 290 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 290 L C 2.503 179.509 176.870 0.227 0.000 1.094 290 L CA 1.252 56.132 54.840 0.067 0.000 0.763 290 L CB -0.942 41.201 42.059 0.139 0.000 0.908 290 L HN 0.235 nan 8.230 nan 0.000 0.437 291 T N -0.595 114.046 114.554 0.144 0.000 2.770 291 T HA -0.108 4.241 4.350 -0.001 0.000 0.263 291 T C 2.030 176.766 174.700 0.059 0.000 1.039 291 T CA 1.070 63.254 62.100 0.141 0.000 1.142 291 T CB -0.075 68.887 68.868 0.156 0.000 0.868 291 T HN 0.037 nan 8.240 nan 0.000 0.435 292 V N 1.820 121.738 119.914 0.006 0.000 2.407 292 V HA -0.110 4.010 4.120 -0.001 0.000 0.248 292 V C 2.375 178.556 176.094 0.144 0.000 1.055 292 V CA 1.228 63.490 62.300 -0.064 0.000 1.049 292 V CB -0.633 31.145 31.823 -0.074 0.000 0.662 292 V HN 0.345 nan 8.190 nan 0.000 0.455 293 L N -0.302 121.058 121.223 0.229 0.000 2.141 293 L HA -0.081 4.258 4.340 -0.001 0.000 0.209 293 L C 2.401 179.526 176.870 0.425 0.000 1.094 293 L CA 1.964 57.011 54.840 0.344 0.000 0.763 293 L CB -0.545 41.615 42.059 0.168 0.000 0.908 293 L HN 0.238 nan 8.230 nan 0.000 0.437 294 S N -0.404 115.531 115.700 0.392 0.000 2.335 294 S HA -0.083 4.386 4.470 -0.001 0.000 0.217 294 S C 1.853 176.553 174.600 0.167 0.000 1.032 294 S CA 1.606 60.007 58.200 0.334 0.000 0.985 294 S CB -0.448 62.870 63.200 0.197 0.000 0.896 294 S HN 0.462 nan 8.310 nan 0.000 0.445 295 L N 0.291 121.544 121.223 0.050 0.000 2.079 295 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 295 L C 2.260 179.159 176.870 0.050 0.000 1.081 295 L CA 1.103 55.913 54.840 -0.050 0.000 0.752 295 L CB -0.503 41.414 42.059 -0.237 0.000 0.896 295 L HN 0.255 nan 8.230 nan 0.000 0.433 296 F N -0.324 119.597 119.950 -0.050 0.000 2.259 296 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 296 F C 2.114 177.746 175.800 -0.281 0.000 1.088 296 F CA 0.785 58.766 58.000 -0.032 0.000 1.358 296 F CB -0.327 38.799 39.000 0.210 0.000 1.040 296 F HN 0.026 nan 8.300 nan 0.000 0.505 297 F N 0.043 119.826 119.950 -0.277 0.000 2.569 297 F HA 0.306 4.833 4.527 -0.001 0.000 0.295 297 F C 1.946 177.553 175.800 -0.323 0.000 1.115 297 F CA 0.922 58.610 58.000 -0.520 0.000 1.450 297 F CB -0.544 38.484 39.000 0.047 0.000 1.107 297 F HN -0.066 nan 8.300 nan 0.000 0.563 298 A N -0.249 122.386 122.820 -0.308 0.000 1.956 298 A HA 0.259 4.579 4.320 -0.001 0.000 0.212 298 A C 2.371 179.782 177.584 -0.288 0.000 1.188 298 A CA 0.804 52.621 52.037 -0.366 0.000 0.675 298 A CB -1.444 17.437 19.000 -0.197 0.000 0.845 298 A HN 0.372 nan 8.150 nan 0.000 0.455 299 G N -0.846 107.844 108.800 -0.184 0.000 2.422 299 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.218 299 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.218 299 G C 1.480 176.315 174.900 -0.109 0.000 1.140 299 G CA 1.721 46.755 45.100 -0.110 0.000 0.775 299 G HN 0.407 nan 8.290 nan 0.000 0.545 300 T N 0.062 114.498 114.554 -0.196 0.000 2.739 300 T HA 0.023 4.372 4.350 -0.001 0.000 0.249 300 T C 2.177 176.771 174.700 -0.177 0.000 1.050 300 T CA 0.937 62.936 62.100 -0.170 0.000 1.165 300 T CB -0.117 68.523 68.868 -0.379 0.000 0.872 300 T HN 0.084 nan 8.240 nan 0.000 0.411 301 E N 0.981 120.991 120.200 -0.317 0.000 2.021 301 E HA -0.137 4.213 4.350 -0.001 0.000 0.200 301 E C 2.457 178.804 176.600 -0.423 0.000 1.015 301 E CA 1.763 57.993 56.400 -0.282 0.000 0.824 301 E CB -0.660 28.642 29.700 -0.664 0.000 0.762 301 E HN 0.428 nan 8.360 nan 0.000 0.454 302 T N 0.514 114.760 114.554 -0.513 0.000 2.643 302 T HA -0.131 4.218 4.350 -0.001 0.000 0.264 302 T C 1.989 176.560 174.700 -0.216 0.000 1.045 302 T CA 2.260 64.127 62.100 -0.387 0.000 1.155 302 T CB -0.845 67.828 68.868 -0.325 0.000 0.863 302 T HN 0.211 nan 8.240 nan 0.000 0.420 303 T N 1.807 116.270 114.554 -0.152 0.000 2.778 303 T HA -0.155 4.194 4.350 -0.001 0.000 0.269 303 T C 2.272 176.914 174.700 -0.097 0.000 1.050 303 T CA 1.477 63.536 62.100 -0.067 0.000 1.137 303 T CB -0.458 68.405 68.868 -0.008 0.000 0.860 303 T HN 0.443 nan 8.240 nan 0.000 0.468 304 S N 1.547 117.139 115.700 -0.181 0.000 2.329 304 S HA -0.128 4.341 4.470 -0.001 0.000 0.215 304 S C 2.308 176.813 174.600 -0.159 0.000 1.031 304 S CA 1.803 59.865 58.200 -0.229 0.000 0.985 304 S CB -0.889 62.008 63.200 -0.505 0.000 0.917 304 S HN 0.683 nan 8.310 nan 0.000 0.441 305 T N -0.934 113.511 114.554 -0.180 0.000 3.118 305 T HA -0.021 4.329 4.350 -0.001 0.000 0.269 305 T C 1.511 176.241 174.700 0.049 0.000 1.166 305 T CA 1.571 63.668 62.100 -0.005 0.000 1.073 305 T CB -0.844 68.044 68.868 0.033 0.000 0.884 305 T HN 0.404 nan 8.240 nan 0.000 0.550 306 T N 1.465 116.008 114.554 -0.019 0.000 2.939 306 T HA 0.295 4.645 4.350 -0.001 0.000 0.254 306 T C 1.831 176.539 174.700 0.014 0.000 1.041 306 T CA 0.282 62.380 62.100 -0.005 0.000 1.142 306 T CB -0.228 68.606 68.868 -0.056 0.000 0.874 306 T HN 0.281 nan 8.240 nan 0.000 0.452 307 L N 0.596 121.783 121.223 -0.060 0.000 2.046 307 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 307 L C 2.859 179.767 176.870 0.062 0.000 1.077 307 L CA 1.396 56.144 54.840 -0.154 0.000 0.747 307 L CB -0.417 41.347 42.059 -0.493 0.000 0.896 307 L HN 0.181 nan 8.230 nan 0.000 0.432 308 R N -0.857 119.785 120.500 0.238 0.000 2.113 308 R HA -0.272 4.067 4.340 -0.001 0.000 0.231 308 R C 2.322 178.908 176.300 0.478 0.000 1.129 308 R CA 2.327 58.751 56.100 0.540 0.000 0.915 308 R CB -0.879 29.698 30.300 0.463 0.000 0.837 308 R HN 0.201 nan 8.270 nan 0.000 0.430 309 Y N 1.146 121.567 120.300 0.202 0.000 2.241 309 Y HA -0.237 4.312 4.550 -0.001 0.000 0.286 309 Y C 2.157 178.073 175.900 0.027 0.000 1.166 309 Y CA 1.654 59.807 58.100 0.088 0.000 1.203 309 Y CB -0.683 37.803 38.460 0.043 0.000 0.977 309 Y HN 0.183 nan 8.280 nan 0.000 0.529 310 G N -0.469 108.397 108.800 0.109 0.000 2.480 310 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.216 310 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.216 310 G C 1.350 176.216 174.900 -0.057 0.000 1.200 310 G CA 1.037 46.098 45.100 -0.064 0.000 0.782 310 G HN 0.410 nan 8.290 nan 0.000 0.554 311 F N -0.017 120.053 119.950 0.199 0.000 2.583 311 F HA 0.123 4.649 4.527 -0.001 0.000 0.297 311 F C 2.134 177.930 175.800 -0.007 0.000 1.131 311 F CA 0.155 58.266 58.000 0.185 0.000 1.467 311 F CB -0.087 39.122 39.000 0.349 0.000 1.097 311 F HN 0.098 nan 8.300 nan 0.000 0.586 312 L N -0.942 120.231 121.223 -0.085 0.000 2.509 312 L HA 0.084 4.424 4.340 -0.001 0.000 0.222 312 L C 1.498 178.138 176.870 -0.382 0.000 1.123 312 L CA 1.288 55.841 54.840 -0.479 0.000 0.856 312 L CB -0.276 41.325 42.059 -0.763 0.000 0.985 312 L HN 0.108 nan 8.230 nan 0.000 0.456 313 L N -2.111 118.905 121.223 -0.343 0.000 2.316 313 L HA 0.040 4.380 4.340 -0.001 0.000 0.207 313 L C 2.017 178.743 176.870 -0.242 0.000 1.070 313 L CA 0.083 54.705 54.840 -0.362 0.000 0.820 313 L CB -0.341 41.366 42.059 -0.586 0.000 0.992 313 L HN 0.133 nan 8.230 nan 0.000 0.466 314 M N -0.051 119.459 119.600 -0.151 0.000 2.539 314 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 314 M C 1.996 178.302 176.300 0.009 0.000 1.069 314 M CA 1.532 56.816 55.300 -0.027 0.000 1.081 314 M CB -0.771 31.918 32.600 0.148 0.000 1.412 314 M HN 0.284 nan 8.290 nan 0.000 0.482 315 L N -0.622 120.588 121.223 -0.022 0.000 2.187 315 L HA -0.085 4.254 4.340 -0.001 0.000 0.197 315 L C 2.483 179.315 176.870 -0.064 0.000 1.090 315 L CA 0.663 55.483 54.840 -0.034 0.000 0.781 315 L CB -0.555 41.468 42.059 -0.060 0.000 0.956 315 L HN 0.158 nan 8.230 nan 0.000 0.463 316 K N -0.120 120.233 120.400 -0.078 0.000 2.160 316 K HA -0.197 4.123 4.320 -0.001 0.000 0.206 316 K C -0.326 176.130 176.600 -0.240 0.000 1.047 316 K CA 1.470 57.691 56.287 -0.111 0.000 0.930 316 K CB 0.077 32.571 32.500 -0.011 0.000 0.720 316 K HN 0.149 nan 8.250 nan 0.000 0.450 317 Y N 0.209 120.373 120.300 -0.227 0.000 2.863 317 Y HA 0.237 4.787 4.550 -0.001 0.000 0.348 317 Y C -1.945 173.802 175.900 -0.255 0.000 1.028 317 Y CA -2.536 55.400 58.100 -0.274 0.000 1.213 317 Y CB 1.660 39.822 38.460 -0.497 0.000 1.120 317 Y HN 0.080 nan 8.280 nan 0.000 0.598 318 P HA -0.143 nan 4.420 nan 0.000 0.224 318 P C 1.043 178.367 177.300 0.039 0.000 1.157 318 P CA 1.403 64.504 63.100 0.003 0.000 0.799 318 P CB 0.203 31.913 31.700 0.016 0.000 0.809 319 H N -0.932 118.189 119.070 0.085 0.000 2.545 319 H HA 0.030 4.586 4.556 -0.001 0.000 0.282 319 H C 1.217 176.645 175.328 0.166 0.000 1.020 319 H CA 0.696 56.806 56.048 0.104 0.000 1.243 319 H CB -1.344 28.476 29.762 0.097 0.000 1.377 319 H HN -0.097 nan 8.280 nan 0.000 0.581 320 V N 0.118 119.893 119.914 -0.232 0.000 3.174 320 V HA -0.083 4.037 4.120 -0.001 0.000 0.254 320 V C 2.009 178.195 176.094 0.153 0.000 1.120 320 V CA 1.479 63.798 62.300 0.033 0.000 1.114 320 V CB 0.034 31.822 31.823 -0.058 0.000 0.756 320 V HN 0.568 nan 8.190 nan 0.000 0.467 321 T N -0.226 114.374 114.554 0.077 0.000 2.851 321 T HA -0.116 4.234 4.350 -0.001 0.000 0.262 321 T C 1.771 176.537 174.700 0.110 0.000 1.043 321 T CA 1.262 63.425 62.100 0.104 0.000 1.140 321 T CB -0.076 68.840 68.868 0.080 0.000 0.872 321 T HN 0.511 nan 8.240 nan 0.000 0.446 322 E N 0.991 121.249 120.200 0.097 0.000 2.072 322 E HA -0.068 4.282 4.350 -0.001 0.000 0.191 322 E C 2.631 179.279 176.600 0.079 0.000 0.985 322 E CA 0.573 57.022 56.400 0.081 0.000 0.801 322 E CB -0.063 29.682 29.700 0.074 0.000 0.750 322 E HN 0.279 nan 8.360 nan 0.000 0.452 323 R N 0.516 121.074 120.500 0.096 0.000 2.096 323 R HA -0.161 4.178 4.340 -0.001 0.000 0.240 323 R C 2.424 178.779 176.300 0.092 0.000 1.139 323 R CA 1.380 57.495 56.100 0.026 0.000 0.952 323 R CB -0.631 29.646 30.300 -0.037 0.000 0.854 323 R HN 0.122 nan 8.270 nan 0.000 0.436 324 V N 1.221 121.266 119.914 0.218 0.000 2.358 324 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 324 V C 2.469 178.639 176.094 0.127 0.000 1.047 324 V CA 1.487 63.928 62.300 0.235 0.000 1.035 324 V CB -0.512 31.470 31.823 0.265 0.000 0.658 324 V HN 0.284 nan 8.190 nan 0.000 0.452 325 Q N 0.275 120.132 119.800 0.095 0.000 2.217 325 Q HA -0.249 4.090 4.340 -0.001 0.000 0.209 325 Q C 2.222 178.249 176.000 0.044 0.000 0.988 325 Q CA 1.746 57.584 55.803 0.058 0.000 0.878 325 Q CB -0.260 28.510 28.738 0.053 0.000 0.909 325 Q HN 0.656 nan 8.270 nan 0.000 0.424 326 K N 0.134 120.561 120.400 0.045 0.000 2.078 326 K HA -0.078 4.241 4.320 -0.001 0.000 0.203 326 K C 2.002 178.624 176.600 0.036 0.000 1.043 326 K CA 0.634 56.937 56.287 0.027 0.000 0.960 326 K CB -0.082 32.425 32.500 0.011 0.000 0.761 326 K HN 0.143 nan 8.250 nan 0.000 0.448 327 E N 1.456 121.689 120.200 0.056 0.000 2.219 327 E HA -0.206 4.144 4.350 -0.001 0.000 0.198 327 E C 1.705 178.355 176.600 0.083 0.000 0.998 327 E CA 1.089 57.536 56.400 0.078 0.000 0.818 327 E CB -0.060 29.721 29.700 0.134 0.000 0.741 327 E HN 0.266 nan 8.360 nan 0.000 0.477 328 I N 0.174 120.789 120.570 0.074 0.000 2.406 328 I HA -0.143 4.026 4.170 -0.001 0.000 0.249 328 I C 2.338 178.478 176.117 0.038 0.000 1.122 328 I CA 1.053 62.388 61.300 0.059 0.000 1.431 328 I CB -0.112 37.909 38.000 0.036 0.000 1.087 328 I HN 0.106 nan 8.210 nan 0.000 0.424 329 E N 0.937 121.151 120.200 0.024 0.000 2.318 329 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 329 E C 2.027 178.629 176.600 0.004 0.000 0.998 329 E CA 0.703 57.105 56.400 0.003 0.000 0.859 329 E CB -0.033 29.661 29.700 -0.009 0.000 0.812 329 E HN 0.387 nan 8.360 nan 0.000 0.492 330 Q N -0.428 119.383 119.800 0.018 0.000 2.389 330 Q HA 0.029 4.369 4.340 -0.001 0.000 0.204 330 Q C 0.763 176.780 176.000 0.027 0.000 0.944 330 Q CA 1.034 56.848 55.803 0.018 0.000 0.908 330 Q CB 0.532 29.283 28.738 0.021 0.000 1.002 330 Q HN 0.284 nan 8.270 nan 0.000 0.493 331 V N -1.008 118.930 119.914 0.040 0.000 3.251 331 V HA 0.052 4.171 4.120 -0.001 0.000 0.239 331 V C 1.502 177.627 176.094 0.052 0.000 1.332 331 V CA 0.219 62.549 62.300 0.051 0.000 1.224 331 V CB 0.419 32.287 31.823 0.074 0.000 1.004 331 V HN 0.196 nan 8.190 nan 0.000 0.464 332 I N 0.021 120.623 120.570 0.054 0.000 3.939 332 I HA 0.516 4.686 4.170 -0.001 0.000 0.313 332 I C 1.523 177.657 176.117 0.029 0.000 1.274 332 I CA 0.944 62.276 61.300 0.054 0.000 1.301 332 I CB 0.235 38.277 38.000 0.069 0.000 1.105 332 I HN 0.444 nan 8.210 nan 0.000 0.427 333 G N 2.119 110.924 108.800 0.008 0.000 2.512 333 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.254 333 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.254 333 G C 0.448 175.331 174.900 -0.029 0.000 1.199 333 G CA 0.274 45.356 45.100 -0.031 0.000 0.941 333 G HN 0.485 nan 8.290 nan 0.000 0.569 334 S N -1.985 113.679 115.700 -0.060 0.000 2.911 334 S HA 0.347 4.817 4.470 -0.001 0.000 0.261 334 S C 0.165 174.869 174.600 0.174 0.000 1.021 334 S CA 0.550 58.755 58.200 0.008 0.000 1.222 334 S CB 0.118 63.304 63.200 -0.023 0.000 1.171 334 S HN 0.905 nan 8.310 nan 0.000 0.669 335 H N 2.971 122.043 119.070 0.002 0.000 2.328 335 H HA 0.545 5.101 4.556 -0.001 0.000 0.230 335 H C -0.095 175.238 175.328 0.009 0.000 1.481 335 H CA -0.697 55.353 56.048 0.003 0.000 1.306 335 H CB 0.198 29.963 29.762 0.006 0.000 1.531 335 H HN 0.517 nan 8.280 nan 0.000 0.533 336 R N -0.082 120.488 120.500 0.116 0.000 4.787 336 R HA 0.016 4.356 4.340 -0.001 0.000 0.249 336 R C -3.815 172.520 176.300 0.058 0.000 0.937 336 R CA -1.202 54.941 56.100 0.071 0.000 1.104 336 R CB -0.312 30.031 30.300 0.071 0.000 1.316 336 R HN 0.103 nan 8.270 nan 0.000 0.620 337 P HA 0.339 nan 4.420 nan 0.000 0.281 337 P C -2.517 174.815 177.300 0.054 0.000 1.249 337 P CA -1.659 61.468 63.100 0.045 0.000 0.810 337 P CB 0.504 32.229 31.700 0.043 0.000 1.008 338 P HA 0.142 nan 4.420 nan 0.000 0.264 338 P C -0.365 177.016 177.300 0.134 0.000 1.193 338 P CA 0.533 63.682 63.100 0.082 0.000 0.763 338 P CB 0.199 31.894 31.700 -0.008 0.000 0.810 339 A N 2.674 125.605 122.820 0.184 0.000 2.261 339 A HA 0.401 4.720 4.320 -0.001 0.000 0.323 339 A C 0.831 178.546 177.584 0.219 0.000 1.107 339 A CA -0.443 51.686 52.037 0.154 0.000 0.883 339 A CB 0.266 19.323 19.000 0.095 0.000 1.251 339 A HN 0.543 nan 8.150 nan 0.000 0.502 340 L N -0.258 121.024 121.223 0.098 0.000 2.209 340 L HA 0.048 4.388 4.340 -0.001 0.000 0.207 340 L C 1.535 178.331 176.870 -0.123 0.000 1.094 340 L CA 2.485 57.316 54.840 -0.015 0.000 0.790 340 L CB -0.549 41.497 42.059 -0.021 0.000 0.932 340 L HN 0.854 nan 8.230 nan 0.000 0.447 341 D N -2.536 117.836 120.400 -0.046 0.000 2.363 341 D HA -0.127 4.512 4.640 -0.001 0.000 0.226 341 D C 1.013 177.286 176.300 -0.044 0.000 1.020 341 D CA 0.519 54.486 54.000 -0.054 0.000 0.892 341 D CB -0.243 40.545 40.800 -0.019 0.000 0.900 341 D HN 0.293 nan 8.370 nan 0.000 0.531 342 D N 0.540 120.929 120.400 -0.019 0.000 2.213 342 D HA -0.068 4.572 4.640 -0.001 0.000 0.205 342 D C 1.856 178.144 176.300 -0.021 0.000 0.961 342 D CA 0.360 54.390 54.000 0.051 0.000 0.853 342 D CB -0.316 40.602 40.800 0.197 0.000 0.967 342 D HN 0.244 nan 8.370 nan 0.000 0.496 343 R N 1.018 121.324 120.500 -0.324 0.000 2.204 343 R HA -0.214 4.126 4.340 -0.001 0.000 0.253 343 R C 1.788 177.969 176.300 -0.198 0.000 1.172 343 R CA 1.657 57.429 56.100 -0.547 0.000 0.994 343 R CB -0.073 29.635 30.300 -0.986 0.000 0.874 343 R HN 0.145 nan 8.270 nan 0.000 0.462 344 A N 0.878 123.620 122.820 -0.129 0.000 1.874 344 A HA -0.060 4.260 4.320 -0.001 0.000 0.214 344 A C 1.656 179.232 177.584 -0.015 0.000 1.189 344 A CA 1.215 53.213 52.037 -0.064 0.000 0.615 344 A CB -0.145 18.826 19.000 -0.049 0.000 0.830 344 A HN 0.325 nan 8.150 nan 0.000 0.443 345 K N -0.672 119.732 120.400 0.006 0.000 2.632 345 K HA 0.156 4.475 4.320 -0.001 0.000 0.196 345 K C -0.527 176.115 176.600 0.070 0.000 1.023 345 K CA 0.406 56.716 56.287 0.037 0.000 1.098 345 K CB -0.245 32.281 32.500 0.044 0.000 0.862 345 K HN 0.475 nan 8.250 nan 0.000 0.504 346 M N 0.715 120.361 119.600 0.077 0.000 1.962 346 M HA 0.130 4.610 4.480 -0.001 0.000 0.227 346 M C -2.142 174.222 176.300 0.107 0.000 0.890 346 M CA -1.357 54.023 55.300 0.133 0.000 0.843 346 M CB 1.832 34.573 32.600 0.234 0.000 1.894 346 M HN -0.173 nan 8.290 nan 0.000 0.359 347 P HA -0.176 nan 4.420 nan 0.000 0.216 347 P C 1.207 178.555 177.300 0.080 0.000 1.153 347 P CA 1.482 64.617 63.100 0.058 0.000 0.844 347 P CB 0.212 31.952 31.700 0.067 0.000 0.787 348 Y N 1.598 121.919 120.300 0.036 0.000 2.114 348 Y HA -0.190 4.359 4.550 -0.001 0.000 0.284 348 Y C 2.522 178.455 175.900 0.055 0.000 1.143 348 Y CA 2.500 60.629 58.100 0.047 0.000 1.135 348 Y CB -1.254 37.249 38.460 0.073 0.000 0.980 348 Y HN -0.082 nan 8.280 nan 0.000 0.499 349 T N 0.016 114.692 114.554 0.204 0.000 2.635 349 T HA -0.263 4.086 4.350 -0.001 0.000 0.267 349 T C 1.725 176.450 174.700 0.042 0.000 1.040 349 T CA 1.679 63.882 62.100 0.172 0.000 1.156 349 T CB -0.573 68.471 68.868 0.294 0.000 0.863 349 T HN 0.474 nan 8.240 nan 0.000 0.430 350 D N 1.024 121.442 120.400 0.030 0.000 2.104 350 D HA -0.102 4.537 4.640 -0.001 0.000 0.194 350 D C 2.333 178.417 176.300 -0.359 0.000 0.994 350 D CA 1.409 55.338 54.000 -0.118 0.000 0.830 350 D CB -0.167 40.516 40.800 -0.195 0.000 0.959 350 D HN 0.389 nan 8.370 nan 0.000 0.452 351 A N 0.324 122.933 122.820 -0.352 0.000 1.969 351 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 351 A C 2.612 179.929 177.584 -0.445 0.000 1.169 351 A CA 1.227 53.025 52.037 -0.398 0.000 0.635 351 A CB -0.598 18.265 19.000 -0.228 0.000 0.810 351 A HN 0.223 nan 8.150 nan 0.000 0.445 352 V N 0.268 119.931 119.914 -0.419 0.000 2.307 352 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 352 V C 2.413 178.344 176.094 -0.271 0.000 1.045 352 V CA 1.950 64.056 62.300 -0.323 0.000 1.024 352 V CB -0.674 31.060 31.823 -0.148 0.000 0.651 352 V HN 0.570 nan 8.190 nan 0.000 0.449 353 I N -0.587 119.802 120.570 -0.303 0.000 2.113 353 I HA -0.275 3.894 4.170 -0.001 0.000 0.238 353 I C 2.571 178.524 176.117 -0.273 0.000 1.070 353 I CA 1.829 62.925 61.300 -0.340 0.000 1.332 353 I CB -0.663 37.215 38.000 -0.204 0.000 1.044 353 I HN 0.332 nan 8.210 nan 0.000 0.402 354 H N 0.252 118.977 119.070 -0.574 0.000 2.394 354 H HA -0.244 4.312 4.556 -0.001 0.000 0.297 354 H C 2.069 176.866 175.328 -0.886 0.000 1.113 354 H CA 1.808 57.279 56.048 -0.962 0.000 1.277 354 H CB -0.273 28.406 29.762 -1.805 0.000 1.370 354 H HN 0.301 nan 8.280 nan 0.000 0.506 355 E N 0.231 120.077 120.200 -0.590 0.000 2.107 355 E HA -0.052 4.297 4.350 -0.001 0.000 0.191 355 E C 2.169 178.678 176.600 -0.152 0.000 0.982 355 E CA 0.654 56.817 56.400 -0.395 0.000 0.809 355 E CB -0.247 29.056 29.700 -0.660 0.000 0.756 355 E HN 0.466 nan 8.360 nan 0.000 0.459 356 I N 0.360 120.885 120.570 -0.074 0.000 2.142 356 I HA -0.295 3.874 4.170 -0.001 0.000 0.240 356 I C 2.604 178.738 176.117 0.030 0.000 1.078 356 I CA 1.522 62.858 61.300 0.059 0.000 1.343 356 I CB -0.291 37.661 38.000 -0.081 0.000 1.046 356 I HN 0.241 nan 8.210 nan 0.000 0.405 357 Q N 0.652 120.406 119.800 -0.077 0.000 2.291 357 Q HA -0.239 4.101 4.340 -0.001 0.000 0.206 357 Q C 2.261 178.223 176.000 -0.064 0.000 0.976 357 Q CA 1.348 57.090 55.803 -0.101 0.000 0.875 357 Q CB 0.053 28.710 28.738 -0.135 0.000 0.927 357 Q HN 0.335 nan 8.270 nan 0.000 0.450 358 R N -0.720 119.793 120.500 0.022 0.000 2.057 358 R HA -0.052 4.287 4.340 -0.001 0.000 0.224 358 R C 1.901 178.224 176.300 0.039 0.000 1.136 358 R CA 0.641 56.782 56.100 0.067 0.000 0.968 358 R CB -0.026 30.330 30.300 0.094 0.000 0.863 358 R HN 0.251 nan 8.270 nan 0.000 0.433 359 L N 0.757 122.002 121.223 0.037 0.000 2.141 359 L HA -0.007 4.332 4.340 -0.001 0.000 0.209 359 L C 2.367 179.183 176.870 -0.090 0.000 1.094 359 L CA 1.922 56.819 54.840 0.095 0.000 0.763 359 L CB -1.638 40.544 42.059 0.205 0.000 0.908 359 L HN 0.453 nan 8.230 nan 0.000 0.437 360 G N -0.227 108.394 108.800 -0.297 0.000 2.587 360 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.217 360 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.217 360 G C 0.536 175.147 174.900 -0.482 0.000 1.240 360 G CA 1.021 45.593 45.100 -0.880 0.000 0.794 360 G HN 0.490 nan 8.290 nan 0.000 0.580 361 D N -1.414 118.827 120.400 -0.265 0.000 2.716 361 D HA -0.125 4.514 4.640 -0.001 0.000 0.239 361 D C 1.453 177.640 176.300 -0.189 0.000 1.125 361 D CA 0.262 54.141 54.000 -0.201 0.000 0.681 361 D CB -1.180 39.521 40.800 -0.165 0.000 1.070 361 D HN 0.105 nan 8.370 nan 0.000 0.432 362 L N -0.297 120.819 121.223 -0.179 0.000 2.137 362 L HA -0.109 4.231 4.340 -0.001 0.000 0.213 362 L C 1.354 178.218 176.870 -0.011 0.000 1.085 362 L CA 1.572 56.361 54.840 -0.085 0.000 0.760 362 L CB -0.506 41.504 42.059 -0.082 0.000 0.893 362 L HN 0.470 nan 8.230 nan 0.000 0.434 363 I N -0.583 119.948 120.570 -0.065 0.000 2.502 363 I HA 0.118 4.287 4.170 -0.001 0.000 0.276 363 I C -1.442 174.587 176.117 -0.148 0.000 1.057 363 I CA -1.497 59.763 61.300 -0.066 0.000 1.163 363 I CB 1.484 39.482 38.000 -0.003 0.000 1.288 363 I HN -0.136 nan 8.210 nan 0.000 0.479 364 P HA -0.222 nan 4.420 nan 0.000 0.214 364 P C 0.689 177.934 177.300 -0.091 0.000 1.164 364 P CA 2.015 64.967 63.100 -0.246 0.000 0.942 364 P CB 0.036 31.490 31.700 -0.410 0.000 0.791 365 F N -2.954 117.063 119.950 0.112 0.000 2.923 365 F HA 0.689 5.216 4.527 -0.001 0.000 0.314 365 F C 0.972 176.849 175.800 0.128 0.000 1.196 365 F CA -1.118 56.974 58.000 0.153 0.000 1.320 365 F CB -0.941 38.252 39.000 0.322 0.000 0.953 365 F HN 0.073 nan 8.300 nan 0.000 0.505 366 G N 0.599 109.527 108.800 0.214 0.000 2.707 366 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.279 366 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.279 366 G C -0.683 174.373 174.900 0.259 0.000 1.345 366 G CA -0.334 44.867 45.100 0.168 0.000 0.912 366 G HN 0.480 nan 8.290 nan 0.000 0.563 367 V N 2.347 122.365 119.914 0.173 0.000 2.407 367 V HA 0.418 4.537 4.120 -0.001 0.000 0.278 367 V C -1.486 174.664 176.094 0.093 0.000 1.037 367 V CA -0.992 61.395 62.300 0.144 0.000 0.900 367 V CB 1.498 33.348 31.823 0.044 0.000 0.983 367 V HN 0.681 nan 8.190 nan 0.000 0.459 368 P HA -0.004 nan 4.420 nan 0.000 0.265 368 P C -0.745 176.467 177.300 -0.147 0.000 1.167 368 P CA 0.795 63.702 63.100 -0.322 0.000 0.760 368 P CB 0.236 31.670 31.700 -0.444 0.000 0.783 369 H N -0.664 118.207 119.070 -0.332 0.000 2.824 369 H HA 0.809 5.364 4.556 -0.001 0.000 0.345 369 H C 0.015 175.238 175.328 -0.175 0.000 1.252 369 H CA -0.284 55.638 56.048 -0.210 0.000 1.246 369 H CB 1.601 31.266 29.762 -0.162 0.000 1.908 369 H HN 0.375 nan 8.280 nan 0.000 0.601 370 T N -1.916 112.646 114.554 0.014 0.000 2.889 370 T HA 0.464 4.814 4.350 -0.001 0.000 0.315 370 T C -1.231 173.448 174.700 -0.036 0.000 1.291 370 T CA -1.040 61.040 62.100 -0.034 0.000 1.028 370 T CB 0.395 69.207 68.868 -0.093 0.000 1.235 370 T HN 0.407 nan 8.240 nan 0.000 0.491 371 V N 2.020 121.880 119.914 -0.091 0.000 2.432 371 V HA 0.359 4.479 4.120 -0.001 0.000 0.271 371 V C 1.924 177.896 176.094 -0.202 0.000 1.046 371 V CA -0.054 62.098 62.300 -0.246 0.000 0.945 371 V CB -0.080 31.555 31.823 -0.314 0.000 0.992 371 V HN 1.189 nan 8.190 nan 0.000 0.471 372 T N 1.022 115.446 114.554 -0.216 0.000 3.118 372 T HA -0.044 4.305 4.350 -0.001 0.000 0.269 372 T C 0.436 175.052 174.700 -0.140 0.000 1.166 372 T CA 1.182 63.185 62.100 -0.163 0.000 1.073 372 T CB -0.558 68.217 68.868 -0.155 0.000 0.884 372 T HN 0.963 nan 8.240 nan 0.000 0.550 373 K N -1.233 119.069 120.400 -0.164 0.000 2.644 373 K HA 0.344 4.663 4.320 -0.001 0.000 0.284 373 K C -2.124 174.399 176.600 -0.129 0.000 1.023 373 K CA -1.120 55.091 56.287 -0.127 0.000 0.809 373 K CB 0.295 32.725 32.500 -0.117 0.000 1.504 373 K HN -0.217 nan 8.250 nan 0.000 0.365 374 D N 2.033 122.379 120.400 -0.090 0.000 2.344 374 D HA 0.188 4.828 4.640 -0.001 0.000 0.253 374 D C -0.693 175.558 176.300 -0.083 0.000 1.255 374 D CA 0.347 54.306 54.000 -0.069 0.000 0.894 374 D CB 1.123 41.900 40.800 -0.038 0.000 1.067 374 D HN 0.386 nan 8.370 nan 0.000 0.492 375 T N 2.147 116.637 114.554 -0.106 0.000 2.918 375 T HA 0.324 4.674 4.350 -0.001 0.000 0.286 375 T C 0.189 174.890 174.700 0.002 0.000 1.026 375 T CA -0.822 61.209 62.100 -0.114 0.000 1.031 375 T CB 2.185 70.864 68.868 -0.314 0.000 1.046 375 T HN 0.150 nan 8.240 nan 0.000 0.479 376 Q N 1.281 121.109 119.800 0.046 0.000 2.307 376 Q HA 0.569 4.908 4.340 -0.001 0.000 0.262 376 Q C -1.640 174.519 176.000 0.266 0.000 0.961 376 Q CA -0.597 55.282 55.803 0.127 0.000 0.882 376 Q CB 1.731 30.512 28.738 0.072 0.000 1.264 376 Q HN 0.539 nan 8.270 nan 0.000 0.446 377 F N 2.355 122.372 119.950 0.112 0.000 2.585 377 F HA 0.327 4.853 4.527 -0.001 0.000 0.319 377 F C -0.515 175.359 175.800 0.124 0.000 1.165 377 F CA -0.802 57.290 58.000 0.153 0.000 0.949 377 F CB 1.092 40.255 39.000 0.271 0.000 1.218 377 F HN 0.570 nan 8.300 nan 0.000 0.453 378 R N 4.271 124.539 120.500 -0.387 0.000 2.884 378 R HA -0.177 4.162 4.340 -0.001 0.000 0.251 378 R C 1.035 177.073 176.300 -0.436 0.000 0.870 378 R CA 0.938 56.782 56.100 -0.426 0.000 0.647 378 R CB -1.518 28.435 30.300 -0.577 0.000 1.415 378 R HN 1.444 nan 8.270 nan 0.000 0.513 379 G N -0.546 108.051 108.800 -0.338 0.000 2.244 379 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.274 379 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.274 379 G C -0.372 174.198 174.900 -0.549 0.000 1.002 379 G CA 1.109 45.948 45.100 -0.436 0.000 0.740 379 G HN 0.543 nan 8.290 nan 0.000 0.516 380 Y N -2.233 118.082 120.300 0.025 0.000 2.602 380 Y HA 0.667 5.217 4.550 -0.001 0.000 0.342 380 Y C 0.120 176.065 175.900 0.075 0.000 1.029 380 Y CA -1.515 56.617 58.100 0.053 0.000 1.080 380 Y CB 2.049 40.550 38.460 0.068 0.000 1.284 380 Y HN 0.047 nan 8.280 nan 0.000 0.485 381 V N 3.651 123.720 119.914 0.258 0.000 2.376 381 V HA 0.379 4.499 4.120 -0.001 0.000 0.287 381 V C -0.585 175.577 176.094 0.114 0.000 1.015 381 V CA -0.668 61.719 62.300 0.145 0.000 0.834 381 V CB 0.841 32.720 31.823 0.095 0.000 1.001 381 V HN 0.509 nan 8.190 nan 0.000 0.428 382 I N 8.656 129.284 120.570 0.096 0.000 2.307 382 I HA 0.321 4.491 4.170 -0.001 0.000 0.287 382 I C -1.880 174.233 176.117 -0.008 0.000 1.054 382 I CA -1.910 59.420 61.300 0.050 0.000 1.218 382 I CB 1.505 39.554 38.000 0.081 0.000 1.398 382 I HN 0.385 nan 8.210 nan 0.000 0.475 383 P HA -0.101 nan 4.420 nan 0.000 0.271 383 P C -0.414 176.854 177.300 -0.053 0.000 1.228 383 P CA -0.212 62.873 63.100 -0.026 0.000 0.797 383 P CB 0.807 32.498 31.700 -0.015 0.000 0.914 384 K N 1.818 122.185 120.400 -0.055 0.000 2.401 384 K HA -0.028 4.292 4.320 -0.001 0.000 0.278 384 K C 0.328 176.889 176.600 -0.066 0.000 1.018 384 K CA 0.021 56.265 56.287 -0.071 0.000 0.981 384 K CB -0.424 32.039 32.500 -0.061 0.000 0.933 384 K HN 0.405 nan 8.250 nan 0.000 0.477 385 N N 2.088 120.739 118.700 -0.081 0.000 2.758 385 N HA -0.137 4.602 4.740 -0.001 0.000 0.248 385 N C -1.305 174.166 175.510 -0.065 0.000 1.076 385 N CA 1.171 54.177 53.050 -0.074 0.000 0.696 385 N CB -1.261 37.190 38.487 -0.061 0.000 0.979 385 N HN 0.591 nan 8.380 nan 0.000 0.550 386 T N 0.461 114.977 114.554 -0.064 0.000 2.837 386 T HA 0.242 4.592 4.350 -0.001 0.000 0.285 386 T C 0.594 175.259 174.700 -0.059 0.000 0.984 386 T CA -0.528 61.536 62.100 -0.060 0.000 1.049 386 T CB 2.186 71.022 68.868 -0.054 0.000 0.947 386 T HN 0.056 nan 8.240 nan 0.000 0.472 387 E N 1.523 121.679 120.200 -0.074 0.000 2.384 387 E HA 0.347 4.697 4.350 -0.001 0.000 0.266 387 E C -1.042 175.506 176.600 -0.086 0.000 1.012 387 E CA -0.140 56.200 56.400 -0.098 0.000 0.901 387 E CB 0.535 30.182 29.700 -0.090 0.000 0.967 387 E HN 0.262 nan 8.360 nan 0.000 0.435 388 V N 5.051 124.883 119.914 -0.137 0.000 2.668 388 V HA 0.260 4.380 4.120 -0.001 0.000 0.304 388 V C -1.190 174.754 176.094 -0.249 0.000 1.071 388 V CA -0.720 61.499 62.300 -0.135 0.000 0.894 388 V CB 1.185 32.945 31.823 -0.105 0.000 1.008 388 V HN 0.526 nan 8.190 nan 0.000 0.425 389 F N 5.771 125.509 119.950 -0.354 0.000 2.361 389 F HA 0.499 5.026 4.527 -0.001 0.000 0.364 389 F C -2.223 173.365 175.800 -0.354 0.000 1.120 389 F CA -2.617 55.171 58.000 -0.354 0.000 1.102 389 F CB 1.640 40.287 39.000 -0.588 0.000 1.183 389 F HN 0.265 nan 8.300 nan 0.000 0.476 390 P HA 0.117 nan 4.420 nan 0.000 0.266 390 P C -0.306 176.974 177.300 -0.034 0.000 1.586 390 P CA -0.137 62.843 63.100 -0.200 0.000 1.088 390 P CB 0.532 32.029 31.700 -0.339 0.000 1.584 391 V N 5.268 125.176 119.914 -0.010 0.000 2.220 391 V HA -0.070 4.049 4.120 -0.001 0.000 0.236 391 V C 1.981 178.098 176.094 0.038 0.000 1.314 391 V CA 0.661 63.022 62.300 0.101 0.000 1.349 391 V CB -1.186 30.706 31.823 0.114 0.000 1.428 391 V HN 0.567 nan 8.190 nan 0.000 0.495 392 L N 2.227 123.458 121.223 0.013 0.000 2.129 392 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 392 L C 2.621 179.450 176.870 -0.068 0.000 1.087 392 L CA 1.805 56.618 54.840 -0.046 0.000 0.757 392 L CB -0.509 41.505 42.059 -0.075 0.000 0.896 392 L HN 0.730 nan 8.230 nan 0.000 0.434 393 S N 0.294 115.941 115.700 -0.088 0.000 2.359 393 S HA -0.249 4.220 4.470 -0.001 0.000 0.223 393 S C 2.180 176.661 174.600 -0.198 0.000 1.039 393 S CA 1.990 60.047 58.200 -0.239 0.000 1.042 393 S CB -0.354 62.716 63.200 -0.217 0.000 0.915 393 S HN 0.626 nan 8.310 nan 0.000 0.439 394 S N 0.763 116.446 115.700 -0.028 0.000 2.528 394 S HA 0.137 4.606 4.470 -0.001 0.000 0.244 394 S C 1.580 176.242 174.600 0.103 0.000 0.982 394 S CA 0.936 59.177 58.200 0.068 0.000 0.953 394 S CB -0.507 62.758 63.200 0.107 0.000 0.754 394 S HN 0.722 nan 8.310 nan 0.000 0.529 395 A N 1.288 124.149 122.820 0.068 0.000 1.963 395 A HA 0.495 4.815 4.320 -0.001 0.000 0.207 395 A C 1.979 179.725 177.584 0.270 0.000 1.243 395 A CA 0.113 52.211 52.037 0.101 0.000 0.728 395 A CB -0.382 18.623 19.000 0.009 0.000 0.895 395 A HN 0.469 nan 8.150 nan 0.000 0.467 396 L N -0.778 120.572 121.223 0.212 0.000 2.465 396 L HA -0.041 4.299 4.340 -0.001 0.000 0.224 396 L C 1.586 178.726 176.870 0.450 0.000 1.145 396 L CA 0.914 55.959 54.840 0.341 0.000 0.834 396 L CB -0.358 41.756 42.059 0.091 0.000 0.944 396 L HN 0.552 nan 8.230 nan 0.000 0.451 397 H N -2.703 116.507 119.070 0.232 0.000 3.058 397 H HA 0.086 4.641 4.556 -0.001 0.000 0.266 397 H C -0.045 175.466 175.328 0.305 0.000 1.135 397 H CA -0.677 55.491 56.048 0.201 0.000 1.174 397 H CB 0.786 30.618 29.762 0.117 0.000 1.581 397 H HN 0.093 nan 8.280 nan 0.000 0.553 398 D N 3.710 124.394 120.400 0.474 0.000 2.426 398 D HA -0.040 4.600 4.640 -0.001 0.000 0.261 398 D C -1.145 175.380 176.300 0.375 0.000 1.245 398 D CA -1.652 52.558 54.000 0.351 0.000 0.917 398 D CB 1.152 42.117 40.800 0.275 0.000 1.123 398 D HN 0.180 nan 8.370 nan 0.000 0.508 399 P HA -0.210 nan 4.420 nan 0.000 0.215 399 P C 1.016 178.370 177.300 0.091 0.000 1.153 399 P CA 0.988 64.199 63.100 0.185 0.000 0.853 399 P CB 0.147 31.918 31.700 0.118 0.000 0.788 400 R N -1.292 119.248 120.500 0.067 0.000 2.267 400 R HA -0.179 4.161 4.340 -0.001 0.000 0.259 400 R C 1.483 177.531 176.300 -0.420 0.000 1.192 400 R CA 1.623 57.646 56.100 -0.128 0.000 1.013 400 R CB -0.772 29.496 30.300 -0.054 0.000 0.877 400 R HN 0.393 nan 8.270 nan 0.000 0.474 401 Y N -2.764 117.428 120.300 -0.180 0.000 2.448 401 Y HA 0.273 4.822 4.550 -0.001 0.000 0.257 401 Y C -0.143 175.439 175.900 -0.531 0.000 1.089 401 Y CA -0.566 57.299 58.100 -0.392 0.000 1.245 401 Y CB 0.850 38.976 38.460 -0.557 0.000 1.282 401 Y HN -0.187 nan 8.280 nan 0.000 0.529 402 F N 1.917 121.891 119.950 0.040 0.000 2.493 402 F HA 0.354 4.880 4.527 -0.001 0.000 0.329 402 F C 0.153 175.859 175.800 -0.155 0.000 1.126 402 F CA -2.051 55.892 58.000 -0.094 0.000 0.937 402 F CB 1.137 40.193 39.000 0.094 0.000 1.146 402 F HN -0.034 nan 8.300 nan 0.000 0.442 403 E N -0.364 119.742 120.200 -0.158 0.000 2.313 403 E HA 0.397 4.746 4.350 -0.001 0.000 0.272 403 E C -0.021 176.590 176.600 0.018 0.000 1.038 403 E CA -0.373 55.963 56.400 -0.106 0.000 0.863 403 E CB 1.045 30.636 29.700 -0.181 0.000 1.060 403 E HN 0.733 nan 8.360 nan 0.000 0.402 404 T N -0.377 114.222 114.554 0.074 0.000 3.433 404 T HA -0.133 4.216 4.350 -0.001 0.000 0.412 404 T C -1.204 173.582 174.700 0.143 0.000 0.768 404 T CA 0.405 62.572 62.100 0.113 0.000 2.077 404 T CB -1.486 67.466 68.868 0.140 0.000 1.700 404 T HN 0.632 nan 8.240 nan 0.000 0.666 405 P HA -0.094 nan 4.420 nan 0.000 0.219 405 P C 0.438 177.640 177.300 -0.165 0.000 1.146 405 P CA 1.379 64.503 63.100 0.040 0.000 0.808 405 P CB -0.155 31.615 31.700 0.117 0.000 0.779 406 N N -0.690 117.943 118.700 -0.112 0.000 2.458 406 N HA 0.162 4.902 4.740 -0.001 0.000 0.274 406 N C -0.749 174.730 175.510 -0.051 0.000 1.242 406 N CA -0.006 52.953 53.050 -0.153 0.000 0.904 406 N CB 0.424 38.854 38.487 -0.094 0.000 1.206 406 N HN -0.078 nan 8.380 nan 0.000 0.510 407 T N 0.087 114.614 114.554 -0.045 0.000 3.032 407 T HA 0.201 4.551 4.350 -0.001 0.000 0.312 407 T C -1.066 173.593 174.700 -0.068 0.000 1.078 407 T CA -0.691 61.416 62.100 0.011 0.000 1.028 407 T CB 1.081 69.991 68.868 0.070 0.000 1.091 407 T HN 0.131 nan 8.240 nan 0.000 0.457 408 F N 4.611 124.411 119.950 -0.251 0.000 2.519 408 F HA 0.255 4.782 4.527 -0.001 0.000 0.381 408 F C 0.588 176.227 175.800 -0.268 0.000 1.076 408 F CA 0.132 57.897 58.000 -0.391 0.000 1.095 408 F CB 0.117 38.643 39.000 -0.790 0.000 1.046 408 F HN 0.428 nan 8.300 nan 0.000 0.559 409 N N 8.365 126.645 118.700 -0.701 0.000 2.648 409 N HA 0.271 5.010 4.740 -0.001 0.000 0.261 409 N C -2.385 172.776 175.510 -0.581 0.000 1.138 409 N CA -1.766 51.020 53.050 -0.441 0.000 0.804 409 N CB 1.701 40.125 38.487 -0.105 0.000 1.237 409 N HN 0.200 nan 8.380 nan 0.000 0.532 410 P HA -0.072 nan 4.420 nan 0.000 0.225 410 P C 0.884 178.102 177.300 -0.137 0.000 1.141 410 P CA 0.810 63.636 63.100 -0.457 0.000 0.774 410 P CB 0.148 31.566 31.700 -0.469 0.000 0.760 411 G N -1.277 107.518 108.800 -0.008 0.000 2.608 411 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.212 411 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.212 411 G C 0.216 175.209 174.900 0.155 0.000 1.572 411 G CA 0.621 45.794 45.100 0.121 0.000 1.064 411 G HN 0.171 nan 8.290 nan 0.000 0.556 412 H N -1.758 117.182 119.070 -0.217 0.000 5.111 412 H HA -0.198 4.358 4.556 -0.001 0.000 0.064 412 H C 1.358 176.302 175.328 -0.641 0.000 0.552 412 H CA 2.577 58.348 56.048 -0.462 0.000 1.021 412 H CB -1.362 27.932 29.762 -0.780 0.000 0.485 412 H HN 0.360 nan 8.280 nan 0.000 0.760 413 F N 0.626 120.617 119.950 0.069 0.000 2.647 413 F HA 0.470 4.996 4.527 -0.001 0.000 0.300 413 F C 0.221 175.975 175.800 -0.077 0.000 1.106 413 F CA 0.121 58.084 58.000 -0.062 0.000 1.313 413 F CB 0.715 39.585 39.000 -0.217 0.000 1.007 413 F HN -0.047 nan 8.300 nan 0.000 0.536 414 L N 0.750 122.004 121.223 0.051 0.000 2.436 414 L HA 0.338 4.677 4.340 -0.001 0.000 0.268 414 L C -0.505 176.380 176.870 0.025 0.000 0.974 414 L CA -1.084 53.784 54.840 0.047 0.000 0.826 414 L CB 2.048 44.150 42.059 0.072 0.000 1.291 414 L HN 0.026 nan 8.230 nan 0.000 0.406 415 D N 2.108 122.523 120.400 0.024 0.000 2.315 415 D HA 0.194 4.833 4.640 -0.001 0.000 0.275 415 D C 0.729 177.040 176.300 0.019 0.000 1.218 415 D CA -0.124 53.883 54.000 0.012 0.000 1.040 415 D CB 0.624 41.431 40.800 0.012 0.000 1.123 415 D HN 0.459 nan 8.370 nan 0.000 0.541 416 A N -1.396 121.432 122.820 0.013 0.000 2.387 416 A HA 0.080 4.400 4.320 -0.001 0.000 0.234 416 A C 1.390 178.986 177.584 0.020 0.000 1.253 416 A CA -0.174 51.873 52.037 0.016 0.000 0.894 416 A CB -0.797 18.207 19.000 0.007 0.000 0.963 416 A HN 0.510 nan 8.150 nan 0.000 0.508 417 N N -0.539 118.174 118.700 0.023 0.000 2.332 417 N HA 0.102 4.841 4.740 -0.001 0.000 0.190 417 N C 1.034 176.563 175.510 0.032 0.000 1.117 417 N CA 1.295 54.359 53.050 0.023 0.000 0.883 417 N CB 0.828 39.326 38.487 0.018 0.000 1.089 417 N HN 0.541 nan 8.380 nan 0.000 0.480 418 G N 0.098 108.924 108.800 0.043 0.000 2.159 418 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.170 418 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.170 418 G C -0.103 174.833 174.900 0.060 0.000 1.007 418 G CA 0.111 45.247 45.100 0.060 0.000 0.672 418 G HN 0.589 nan 8.290 nan 0.000 0.507 419 A N -0.094 122.752 122.820 0.044 0.000 2.320 419 A HA 0.858 5.177 4.320 -0.001 0.000 0.334 419 A C 0.253 177.854 177.584 0.028 0.000 1.147 419 A CA -0.628 51.429 52.037 0.034 0.000 0.820 419 A CB 1.253 20.268 19.000 0.024 0.000 1.218 419 A HN 1.439 nan 8.150 nan 0.000 0.482 420 L N 1.213 122.443 121.223 0.011 0.000 2.540 420 L HA 0.137 4.476 4.340 -0.001 0.000 0.276 420 L C 0.788 177.665 176.870 0.012 0.000 1.212 420 L CA 1.004 55.839 54.840 -0.009 0.000 0.893 420 L CB -0.277 41.747 42.059 -0.058 0.000 1.138 420 L HN 0.903 nan 8.230 nan 0.000 0.491 421 K N 3.918 124.339 120.400 0.035 0.000 3.861 421 K HA 0.546 4.866 4.320 -0.001 0.000 0.225 421 K C -0.475 176.174 176.600 0.082 0.000 1.097 421 K CA -0.631 55.682 56.287 0.044 0.000 1.792 421 K CB 0.503 33.017 32.500 0.023 0.000 2.642 421 K HN 0.700 nan 8.250 nan 0.000 0.702 422 R N 0.414 120.975 120.500 0.101 0.000 3.964 422 R HA 0.071 4.411 4.340 -0.001 0.000 0.244 422 R C -2.344 174.022 176.300 0.110 0.000 1.004 422 R CA -0.445 55.753 56.100 0.164 0.000 1.148 422 R CB 0.450 30.827 30.300 0.128 0.000 1.234 422 R HN 0.595 nan 8.270 nan 0.000 0.567 423 N N 2.840 121.648 118.700 0.181 0.000 2.410 423 N HA 0.115 4.854 4.740 -0.001 0.000 0.287 423 N C -0.222 175.335 175.510 0.079 0.000 1.044 423 N CA -0.381 52.698 53.050 0.049 0.000 0.881 423 N CB 1.843 40.260 38.487 -0.117 0.000 1.405 423 N HN 0.643 nan 8.380 nan 0.000 0.490 424 E N 1.931 122.109 120.200 -0.036 0.000 2.463 424 E HA -0.053 4.296 4.350 -0.001 0.000 0.201 424 E C 1.222 177.637 176.600 -0.310 0.000 1.045 424 E CA 0.482 56.799 56.400 -0.139 0.000 0.872 424 E CB -0.035 29.559 29.700 -0.176 0.000 0.797 424 E HN 0.758 nan 8.360 nan 0.000 0.538 425 G N 0.018 108.606 108.800 -0.354 0.000 2.838 425 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.210 425 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.210 425 G C 0.114 175.164 174.900 0.250 0.000 1.153 425 G CA -0.477 44.451 45.100 -0.286 0.000 0.778 425 G HN 0.136 nan 8.290 nan 0.000 0.539 426 F N 2.808 122.896 119.950 0.230 0.000 2.404 426 F HA 0.557 5.083 4.527 -0.001 0.000 0.359 426 F C 0.473 176.324 175.800 0.085 0.000 1.134 426 F CA -1.495 56.705 58.000 0.334 0.000 1.160 426 F CB 0.605 39.928 39.000 0.539 0.000 1.186 426 F HN 0.063 nan 8.300 nan 0.000 0.526 427 M N 7.443 126.789 119.600 -0.424 0.000 4.012 427 M HA 0.287 4.766 4.480 -0.001 0.000 0.458 427 M C -2.637 173.352 176.300 -0.519 0.000 2.038 427 M CA -1.253 53.781 55.300 -0.444 0.000 0.479 427 M CB 0.893 33.375 32.600 -0.196 0.000 1.517 427 M HN 0.143 nan 8.290 nan 0.000 0.525 428 P HA -0.066 nan 4.420 nan 0.000 0.218 428 P C 0.596 177.562 177.300 -0.556 0.000 1.149 428 P CA 1.455 64.104 63.100 -0.751 0.000 0.817 428 P CB -0.016 31.055 31.700 -1.050 0.000 0.785 429 F N -0.211 119.573 119.950 -0.276 0.000 2.732 429 F HA 0.299 4.825 4.527 -0.001 0.000 0.303 429 F C 1.439 177.159 175.800 -0.134 0.000 1.110 429 F CA -0.198 57.696 58.000 -0.177 0.000 1.355 429 F CB -1.045 37.859 39.000 -0.160 0.000 1.081 429 F HN -0.052 nan 8.300 nan 0.000 0.565 430 S N 0.438 116.113 115.700 -0.041 0.000 3.849 430 S HA -0.093 4.377 4.470 -0.001 0.000 0.654 430 S C -0.969 173.624 174.600 -0.012 0.000 1.808 430 S CA 0.172 58.346 58.200 -0.043 0.000 1.951 430 S CB -0.721 62.476 63.200 -0.005 0.000 0.330 430 S HN 0.338 nan 8.310 nan 0.000 1.627 431 L N 0.287 121.492 121.223 -0.030 0.000 2.393 431 L HA 1.098 5.437 4.340 -0.001 0.000 0.260 431 L C 0.854 177.722 176.870 -0.004 0.000 1.002 431 L CA 0.160 54.993 54.840 -0.011 0.000 0.818 431 L CB 0.981 43.022 42.059 -0.030 0.000 1.369 431 L HN 1.979 nan 8.230 nan 0.000 0.412 432 G N 0.438 109.250 108.800 0.019 0.000 2.298 432 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.309 432 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.309 432 G C -0.213 174.721 174.900 0.056 0.000 1.279 432 G CA -0.324 44.794 45.100 0.031 0.000 1.042 432 G HN 0.641 nan 8.290 nan 0.000 0.480 433 K N -0.183 120.249 120.400 0.053 0.000 2.525 433 K HA 0.107 4.427 4.320 -0.001 0.000 0.192 433 K C 1.674 178.360 176.600 0.144 0.000 1.029 433 K CA 0.334 56.682 56.287 0.102 0.000 1.029 433 K CB 0.040 32.578 32.500 0.063 0.000 0.814 433 K HN 0.157 nan 8.250 nan 0.000 0.503 434 R N 0.560 121.096 120.500 0.060 0.000 2.472 434 R HA 0.218 4.558 4.340 -0.001 0.000 0.279 434 R C 0.423 176.775 176.300 0.087 0.000 0.953 434 R CA -0.327 55.807 56.100 0.057 0.000 1.088 434 R CB -0.245 29.978 30.300 -0.128 0.000 1.197 434 R HN 0.194 nan 8.270 nan 0.000 0.536 435 I N 1.283 121.902 120.570 0.083 0.000 2.880 435 I HA -0.170 4.000 4.170 -0.001 0.000 0.296 435 I C 0.610 176.746 176.117 0.032 0.000 1.220 435 I CA 0.203 61.538 61.300 0.058 0.000 1.435 435 I CB 0.597 38.625 38.000 0.046 0.000 1.339 435 I HN 0.173 nan 8.210 nan 0.000 0.583 436 C N 7.982 127.294 119.300 0.020 0.000 2.067 436 C HA -0.136 4.324 4.460 -0.001 0.000 0.397 436 C C 1.611 176.527 174.990 -0.123 0.000 1.545 436 C CA 0.055 59.041 59.018 -0.052 0.000 1.460 436 C CB -0.735 26.963 27.740 -0.071 0.000 2.591 436 C HN 0.841 nan 8.230 nan 0.000 0.585 437 L N 6.127 127.289 121.223 -0.103 0.000 2.291 437 L HA 0.222 4.561 4.340 -0.001 0.000 0.214 437 L C 2.118 178.886 176.870 -0.171 0.000 1.120 437 L CA 2.316 57.087 54.840 -0.114 0.000 0.799 437 L CB -0.742 41.261 42.059 -0.093 0.000 0.925 437 L HN 0.897 nan 8.230 nan 0.000 0.446 438 G N -1.494 107.179 108.800 -0.211 0.000 2.939 438 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.210 438 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.210 438 G C 1.243 175.911 174.900 -0.387 0.000 1.160 438 G CA 0.404 45.361 45.100 -0.238 0.000 0.770 438 G HN 0.511 nan 8.290 nan 0.000 0.543 439 E N 0.681 120.507 120.200 -0.624 0.000 2.217 439 E HA -0.263 4.087 4.350 -0.001 0.000 0.219 439 E C 2.321 178.509 176.600 -0.687 0.000 1.070 439 E CA 1.881 57.553 56.400 -1.213 0.000 0.889 439 E CB -0.675 28.439 29.700 -0.978 0.000 0.768 439 E HN 0.303 nan 8.360 nan 0.000 0.465 440 G N 0.686 109.266 108.800 -0.366 0.000 2.524 440 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.215 440 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.215 440 G C 1.477 176.290 174.900 -0.145 0.000 1.239 440 G CA 1.181 46.161 45.100 -0.201 0.000 0.798 440 G HN 0.278 nan 8.290 nan 0.000 0.557 441 I N 2.146 122.638 120.570 -0.130 0.000 2.502 441 I HA -0.141 4.028 4.170 -0.001 0.000 0.258 441 I C 2.915 179.005 176.117 -0.045 0.000 1.172 441 I CA 1.207 62.463 61.300 -0.074 0.000 1.430 441 I CB -0.272 37.688 38.000 -0.068 0.000 1.086 441 I HN 0.245 nan 8.210 nan 0.000 0.440 442 A N -0.151 122.616 122.820 -0.087 0.000 1.956 442 A HA 0.019 4.338 4.320 -0.001 0.000 0.212 442 A C 2.368 179.991 177.584 0.065 0.000 1.188 442 A CA 0.351 52.382 52.037 -0.010 0.000 0.675 442 A CB -0.198 18.780 19.000 -0.036 0.000 0.845 442 A HN 0.212 nan 8.150 nan 0.000 0.455 443 R N -0.323 120.200 120.500 0.039 0.000 2.152 443 R HA -0.067 4.273 4.340 -0.001 0.000 0.232 443 R C 1.728 178.098 176.300 0.115 0.000 1.117 443 R CA 1.706 57.880 56.100 0.122 0.000 0.981 443 R CB -0.573 29.789 30.300 0.103 0.000 0.870 443 R HN 0.492 nan 8.270 nan 0.000 0.451 444 T N 0.580 115.174 114.554 0.066 0.000 2.894 444 T HA -0.025 4.325 4.350 -0.001 0.000 0.258 444 T C 1.575 176.324 174.700 0.081 0.000 1.043 444 T CA 0.749 62.893 62.100 0.074 0.000 1.141 444 T CB 0.102 68.979 68.868 0.015 0.000 0.873 444 T HN 0.317 nan 8.240 nan 0.000 0.449 445 E N 0.885 121.124 120.200 0.065 0.000 2.077 445 E HA -0.039 4.310 4.350 -0.001 0.000 0.193 445 E C 2.180 178.932 176.600 0.252 0.000 0.989 445 E CA 0.724 57.179 56.400 0.092 0.000 0.800 445 E CB -0.193 29.651 29.700 0.239 0.000 0.746 445 E HN 0.376 nan 8.360 nan 0.000 0.452 446 L N 0.159 121.512 121.223 0.216 0.000 1.970 446 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 446 L C 2.364 179.374 176.870 0.234 0.000 1.071 446 L CA 1.206 56.163 54.840 0.195 0.000 0.751 446 L CB -0.520 41.605 42.059 0.109 0.000 0.889 446 L HN 0.151 nan 8.230 nan 0.000 0.432 447 F N 0.735 120.737 119.950 0.088 0.000 1.990 447 F HA -0.310 4.216 4.527 -0.001 0.000 0.297 447 F C 2.368 178.248 175.800 0.134 0.000 1.199 447 F CA 1.738 59.801 58.000 0.106 0.000 1.184 447 F CB -0.708 38.329 39.000 0.061 0.000 0.956 447 F HN -0.128 nan 8.300 nan 0.000 0.503 448 L N -0.696 120.616 121.223 0.149 0.000 2.064 448 L HA -0.374 3.965 4.340 -0.001 0.000 0.234 448 L C 2.531 179.360 176.870 -0.069 0.000 1.103 448 L CA 2.125 56.938 54.840 -0.045 0.000 0.824 448 L CB -1.278 40.724 42.059 -0.095 0.000 0.919 448 L HN 0.218 nan 8.230 nan 0.000 0.447 449 F N -0.654 119.328 119.950 0.054 0.000 2.010 449 F HA -0.273 4.254 4.527 -0.001 0.000 0.296 449 F C 2.417 178.236 175.800 0.032 0.000 1.146 449 F CA 1.611 59.641 58.000 0.050 0.000 1.181 449 F CB -1.267 37.767 39.000 0.056 0.000 0.965 449 F HN -0.074 nan 8.300 nan 0.000 0.480 450 F N 0.770 120.777 119.950 0.095 0.000 2.346 450 F HA -0.263 4.264 4.527 -0.001 0.000 0.301 450 F C 2.086 177.835 175.800 -0.086 0.000 1.070 450 F CA 1.893 59.861 58.000 -0.055 0.000 1.407 450 F CB -0.475 38.414 39.000 -0.185 0.000 1.072 450 F HN -0.030 nan 8.300 nan 0.000 0.543 451 T N -2.142 112.341 114.554 -0.117 0.000 2.925 451 T HA -0.069 4.281 4.350 -0.001 0.000 0.245 451 T C 1.839 176.474 174.700 -0.108 0.000 1.025 451 T CA 1.223 63.182 62.100 -0.235 0.000 1.149 451 T CB -0.673 67.864 68.868 -0.551 0.000 0.866 451 T HN 0.132 nan 8.240 nan 0.000 0.437 452 T N 3.017 117.547 114.554 -0.041 0.000 2.699 452 T HA -0.071 4.278 4.350 -0.001 0.000 0.268 452 T C 1.930 176.675 174.700 0.076 0.000 1.036 452 T CA 1.163 63.284 62.100 0.036 0.000 1.147 452 T CB -0.613 68.313 68.868 0.097 0.000 0.862 452 T HN 0.291 nan 8.240 nan 0.000 0.446 453 I N 0.722 121.350 120.570 0.097 0.000 2.036 453 I HA -0.186 3.984 4.170 -0.001 0.000 0.231 453 I C 2.440 178.630 176.117 0.122 0.000 1.044 453 I CA 1.441 62.811 61.300 0.117 0.000 1.315 453 I CB -0.626 37.440 38.000 0.111 0.000 1.051 453 I HN 0.140 nan 8.210 nan 0.000 0.391 454 L N 0.277 121.530 121.223 0.050 0.000 2.103 454 L HA -0.341 3.998 4.340 -0.001 0.000 0.215 454 L C 2.751 179.639 176.870 0.030 0.000 1.080 454 L CA 1.557 56.424 54.840 0.044 0.000 0.764 454 L CB -0.651 41.364 42.059 -0.073 0.000 0.890 454 L HN 0.477 nan 8.230 nan 0.000 0.435 455 Q N 0.236 120.036 119.800 0.000 0.000 1.967 455 Q HA -0.265 4.075 4.340 -0.001 0.000 0.210 455 Q C 1.930 177.898 176.000 -0.053 0.000 1.005 455 Q CA 2.393 58.186 55.803 -0.017 0.000 0.862 455 Q CB -0.043 28.686 28.738 -0.015 0.000 0.939 455 Q HN 0.576 nan 8.270 nan 0.000 0.417 456 N N -0.552 118.083 118.700 -0.107 0.000 2.083 456 N HA -0.038 4.702 4.740 -0.001 0.000 0.190 456 N C 0.302 175.585 175.510 -0.378 0.000 1.047 456 N CA 0.812 53.673 53.050 -0.315 0.000 0.845 456 N CB -0.317 37.846 38.487 -0.541 0.000 1.025 456 N HN 0.084 nan 8.380 nan 0.000 0.428 457 F N 0.658 120.594 119.950 -0.023 0.000 2.382 457 F HA 0.303 4.830 4.527 -0.001 0.000 0.331 457 F C 1.082 176.923 175.800 0.069 0.000 1.121 457 F CA -0.428 57.583 58.000 0.019 0.000 1.183 457 F CB 1.003 40.014 39.000 0.018 0.000 1.207 457 F HN -0.209 nan 8.300 nan 0.000 0.555 458 S N 2.104 117.970 115.700 0.277 0.000 2.648 458 S HA 0.831 5.301 4.470 -0.001 0.000 0.305 458 S C -0.731 173.972 174.600 0.171 0.000 1.094 458 S CA -0.736 57.568 58.200 0.174 0.000 0.983 458 S CB 0.905 64.154 63.200 0.082 0.000 1.101 458 S HN 0.530 nan 8.310 nan 0.000 0.514 459 I N 0.215 120.835 120.570 0.083 0.000 2.846 459 I HA 1.011 5.180 4.170 -0.001 0.000 0.307 459 I C -0.620 175.460 176.117 -0.062 0.000 1.053 459 I CA -0.959 60.304 61.300 -0.061 0.000 1.050 459 I CB 1.810 39.761 38.000 -0.082 0.000 1.239 459 I HN 0.769 nan 8.210 nan 0.000 0.439 460 A N 2.923 125.666 122.820 -0.128 0.000 2.567 460 A HA 0.802 5.121 4.320 -0.001 0.000 0.291 460 A C -0.959 176.564 177.584 -0.101 0.000 1.048 460 A CA 0.017 52.006 52.037 -0.080 0.000 0.661 460 A CB 1.085 20.057 19.000 -0.047 0.000 1.288 460 A HN 1.527 nan 8.150 nan 0.000 0.424 461 S N -0.197 115.466 115.700 -0.061 0.000 2.567 461 S HA 0.768 5.237 4.470 -0.001 0.000 0.270 461 S C -2.740 171.841 174.600 -0.032 0.000 1.152 461 S CA -0.327 57.843 58.200 -0.050 0.000 0.835 461 S CB 1.628 64.813 63.200 -0.024 0.000 1.115 461 S HN 0.797 nan 8.310 nan 0.000 0.459 462 P HA 0.155 nan 4.420 nan 0.000 0.251 462 P C -0.405 176.886 177.300 -0.015 0.000 1.251 462 P CA 0.189 63.278 63.100 -0.019 0.000 0.763 462 P CB -0.429 31.261 31.700 -0.018 0.000 1.067 463 V N 1.116 121.021 119.914 -0.015 0.000 2.384 463 V HA 0.332 4.452 4.120 -0.001 0.000 0.287 463 V C -2.434 173.642 176.094 -0.029 0.000 1.020 463 V CA -2.413 59.877 62.300 -0.017 0.000 0.850 463 V CB 1.363 33.179 31.823 -0.012 0.000 0.987 463 V HN -0.101 nan 8.190 nan 0.000 0.436 464 P HA 0.242 nan 4.420 nan 0.000 0.271 464 P C -2.086 175.179 177.300 -0.058 0.000 1.220 464 P CA -1.318 61.758 63.100 -0.040 0.000 0.768 464 P CB 0.498 32.179 31.700 -0.033 0.000 0.848 465 P HA -0.252 nan 4.420 nan 0.000 0.220 465 P C 0.911 178.134 177.300 -0.129 0.000 1.155 465 P CA 1.601 64.630 63.100 -0.119 0.000 0.880 465 P CB -0.183 31.429 31.700 -0.146 0.000 0.790 466 E N -1.376 118.763 120.200 -0.102 0.000 2.320 466 E HA -0.013 4.336 4.350 -0.001 0.000 0.189 466 E C 0.155 176.725 176.600 -0.050 0.000 1.100 466 E CA 0.570 56.921 56.400 -0.083 0.000 1.009 466 E CB -0.401 29.258 29.700 -0.068 0.000 1.145 466 E HN 0.234 nan 8.360 nan 0.000 0.454 467 D N -0.197 120.174 120.400 -0.049 0.000 2.448 467 D HA 0.164 4.804 4.640 -0.001 0.000 0.256 467 D C 0.221 176.502 176.300 -0.031 0.000 1.108 467 D CA -0.295 53.686 54.000 -0.031 0.000 0.848 467 D CB 0.581 41.365 40.800 -0.027 0.000 1.281 467 D HN 0.060 nan 8.370 nan 0.000 0.509 468 I N 1.971 122.512 120.570 -0.049 0.000 2.668 468 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 468 I C 0.312 176.405 176.117 -0.040 0.000 1.168 468 I CA 0.315 61.579 61.300 -0.060 0.000 1.424 468 I CB 0.161 38.101 38.000 -0.100 0.000 1.377 468 I HN -0.011 nan 8.210 nan 0.000 0.560 469 D N 6.755 127.138 120.400 -0.029 0.000 2.303 469 D HA 0.294 4.934 4.640 -0.001 0.000 0.236 469 D C 0.530 176.830 176.300 0.001 0.000 1.068 469 D CA -0.383 53.617 54.000 0.001 0.000 0.830 469 D CB 1.250 42.062 40.800 0.019 0.000 1.109 469 D HN 0.380 nan 8.370 nan 0.000 0.496 470 L N 2.303 123.543 121.223 0.028 0.000 2.592 470 L HA 0.127 4.467 4.340 -0.001 0.000 0.227 470 L C 0.821 177.794 176.870 0.172 0.000 1.127 470 L CA 0.067 54.952 54.840 0.075 0.000 0.884 470 L CB -0.039 42.066 42.059 0.078 0.000 1.065 470 L HN 0.284 nan 8.230 nan 0.000 0.457 471 T N 1.800 116.424 114.554 0.117 0.000 2.934 471 T HA 0.084 4.434 4.350 -0.001 0.000 0.306 471 T C -2.245 172.531 174.700 0.127 0.000 1.042 471 T CA -0.698 61.471 62.100 0.114 0.000 1.145 471 T CB 0.316 69.232 68.868 0.081 0.000 0.982 471 T HN -0.081 nan 8.240 nan 0.000 0.544 472 P HA 0.194 nan 4.420 nan 0.000 0.271 472 P C 0.694 178.051 177.300 0.095 0.000 1.233 472 P CA -0.339 62.827 63.100 0.110 0.000 0.764 472 P CB 0.488 32.228 31.700 0.066 0.000 0.825 473 R N 2.232 122.800 120.500 0.114 0.000 2.170 473 R HA -0.159 4.181 4.340 -0.001 0.000 0.242 473 R C 0.254 176.594 176.300 0.068 0.000 1.145 473 R CA 1.535 57.692 56.100 0.096 0.000 0.984 473 R CB 0.193 30.567 30.300 0.122 0.000 0.869 473 R HN 0.433 nan 8.270 nan 0.000 0.455 474 E N -1.005 119.231 120.200 0.060 0.000 2.321 474 E HA 0.244 4.594 4.350 -0.001 0.000 0.278 474 E C -2.033 174.573 176.600 0.010 0.000 0.902 474 E CA -0.453 55.965 56.400 0.029 0.000 0.758 474 E CB 2.223 31.926 29.700 0.005 0.000 1.213 474 E HN -0.046 nan 8.360 nan 0.000 0.426 475 S N 2.587 118.288 115.700 0.001 0.000 2.746 475 S HA 0.773 5.242 4.470 -0.001 0.000 0.273 475 S C -0.409 174.158 174.600 -0.054 0.000 1.172 475 S CA 0.244 58.424 58.200 -0.033 0.000 1.116 475 S CB 0.246 63.442 63.200 -0.006 0.000 1.057 475 S HN 0.641 nan 8.310 nan 0.000 0.483 476 G N 1.788 110.508 108.800 -0.132 0.000 3.354 476 G HA2 0.343 4.302 3.960 -0.001 0.000 0.174 476 G HA3 0.343 4.302 3.960 -0.001 0.000 0.174 476 G C 0.883 175.568 174.900 -0.358 0.000 1.140 476 G CA 0.275 45.301 45.100 -0.124 0.000 0.897 476 G HN 0.762 nan 8.290 nan 0.000 0.685 477 V N 0.793 120.564 119.914 -0.238 0.000 2.660 477 V HA 0.233 4.353 4.120 -0.001 0.000 0.257 477 V C 1.087 176.935 176.094 -0.410 0.000 1.088 477 V CA 2.423 64.528 62.300 -0.325 0.000 1.106 477 V CB -0.652 31.184 31.823 0.021 0.000 0.686 477 V HN 0.975 nan 8.190 nan 0.000 0.481 478 G N -0.902 107.664 108.800 -0.391 0.000 2.642 478 G HA2 0.454 4.414 3.960 -0.001 0.000 0.293 478 G HA3 0.454 4.414 3.960 -0.001 0.000 0.293 478 G C -1.411 173.397 174.900 -0.153 0.000 1.341 478 G CA -0.773 44.186 45.100 -0.234 0.000 0.916 478 G HN 0.150 nan 8.290 nan 0.000 0.474 479 N N 0.056 118.747 118.700 -0.015 0.000 2.424 479 N HA 0.412 5.151 4.740 -0.001 0.000 0.271 479 N C -0.778 174.787 175.510 0.093 0.000 0.985 479 N CA -0.230 52.813 53.050 -0.012 0.000 0.921 479 N CB 2.176 40.621 38.487 -0.071 0.000 1.149 479 N HN 0.149 nan 8.380 nan 0.000 0.492 480 V N 4.980 124.956 119.914 0.102 0.000 2.328 480 V HA 0.309 4.428 4.120 -0.001 0.000 0.278 480 V C -2.092 174.124 176.094 0.203 0.000 1.021 480 V CA -1.863 60.548 62.300 0.186 0.000 0.838 480 V CB 1.439 33.351 31.823 0.148 0.000 0.999 480 V HN 0.454 nan 8.190 nan 0.000 0.447 481 P HA 0.143 nan 4.420 nan 0.000 0.267 481 P C -2.275 175.211 177.300 0.310 0.000 1.205 481 P CA -0.871 62.425 63.100 0.327 0.000 0.765 481 P CB -0.040 31.917 31.700 0.428 0.000 0.828 482 P HA -0.067 nan 4.420 nan 0.000 0.267 482 P C -0.340 177.153 177.300 0.321 0.000 1.201 482 P CA 0.273 63.514 63.100 0.234 0.000 0.775 482 P CB 0.364 32.163 31.700 0.165 0.000 0.854 483 S N 1.702 117.565 115.700 0.272 0.000 2.565 483 S HA 0.550 5.019 4.470 -0.001 0.000 0.274 483 S C -0.409 174.351 174.600 0.266 0.000 1.309 483 S CA -0.283 58.058 58.200 0.235 0.000 1.043 483 S CB -0.071 63.213 63.200 0.140 0.000 0.939 483 S HN 0.571 nan 8.310 nan 0.000 0.504 484 Y N -0.986 119.328 120.300 0.023 0.000 2.609 484 Y HA 0.606 5.155 4.550 -0.001 0.000 0.336 484 Y C -1.137 174.736 175.900 -0.045 0.000 1.129 484 Y CA -1.360 56.737 58.100 -0.005 0.000 1.040 484 Y CB 0.746 39.208 38.460 0.003 0.000 1.310 484 Y HN 0.646 nan 8.280 nan 0.000 0.460 485 Q N 2.916 122.656 119.800 -0.101 0.000 2.245 485 Q HA 0.716 5.055 4.340 -0.001 0.000 0.256 485 Q C -1.360 174.542 176.000 -0.165 0.000 0.942 485 Q CA -0.948 54.733 55.803 -0.203 0.000 0.896 485 Q CB 3.006 31.674 28.738 -0.117 0.000 1.272 485 Q HN 0.801 nan 8.270 nan 0.000 0.442 486 I N 0.985 121.380 120.570 -0.293 0.000 2.656 486 I HA 0.373 4.543 4.170 -0.001 0.000 0.292 486 I C -1.316 174.527 176.117 -0.457 0.000 1.144 486 I CA -0.792 60.309 61.300 -0.332 0.000 1.038 486 I CB 1.853 39.617 38.000 -0.393 0.000 1.244 486 I HN 0.549 nan 8.210 nan 0.000 0.420 487 R N 6.094 126.358 120.500 -0.392 0.000 2.254 487 R HA 0.399 4.739 4.340 -0.001 0.000 0.318 487 R C -1.583 174.468 176.300 -0.415 0.000 1.031 487 R CA -0.413 55.501 56.100 -0.311 0.000 0.905 487 R CB 0.987 31.195 30.300 -0.153 0.000 1.050 487 R HN 0.349 nan 8.270 nan 0.000 0.456 488 F N 4.416 124.279 119.950 -0.146 0.000 2.303 488 F HA 0.295 4.821 4.527 -0.001 0.000 0.368 488 F C 0.129 175.943 175.800 0.023 0.000 1.105 488 F CA -0.548 57.367 58.000 -0.142 0.000 1.153 488 F CB 0.597 39.352 39.000 -0.408 0.000 1.362 488 F HN 0.191 nan 8.300 nan 0.000 0.511 489 L N 3.331 124.699 121.223 0.242 0.000 2.334 489 L HA 0.645 4.984 4.340 -0.001 0.000 0.277 489 L C 0.646 177.662 176.870 0.244 0.000 1.075 489 L CA -0.983 53.977 54.840 0.201 0.000 0.804 489 L CB 1.000 43.112 42.059 0.089 0.000 1.174 489 L HN 0.568 nan 8.230 nan 0.000 0.438 490 A N 3.719 126.613 122.820 0.124 0.000 2.386 490 A HA 0.497 4.816 4.320 -0.001 0.000 0.248 490 A C -0.061 177.310 177.584 -0.355 0.000 1.082 490 A CA -0.246 51.712 52.037 -0.133 0.000 0.789 490 A CB 0.280 19.194 19.000 -0.143 0.000 1.025 490 A HN 0.792 nan 8.150 nan 0.000 0.490 491 R N 1.082 121.326 120.500 -0.427 0.000 2.439 491 R HA 0.397 4.736 4.340 -0.001 0.000 0.310 491 R C -0.720 175.336 176.300 -0.406 0.000 0.955 491 R CA -0.651 55.220 56.100 -0.381 0.000 0.853 491 R CB 1.244 31.431 30.300 -0.187 0.000 1.171 491 R HN 0.880 nan 8.270 nan 0.000 0.449 492 H N 0.000 119.057 119.070 -0.022 0.000 2.539 492 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 492 H CA 0.000 56.039 56.048 -0.015 0.000 1.023 492 H CB 0.000 29.760 29.762 -0.004 0.000 1.292 492 H HN 0.000 nan 8.280 nan 0.000 0.496