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 2fpt_1_A DATA FIRST_RESID 30 DATA SEQUENCE MATGDERFYA EHLMPTLQGL LDPESAHRLA VRFTSLGLLP XXXFQDSDML DATA SEQUENCE EVRVLGHKFR NPVGIAAGFD KHGEAVDGLY KMGFGFVEIG SVTPKPQEGN DATA SEQUENCE PRPRVFRLPE DQAVINRYGF NSHGLSVVEH RLRARQQKQA KLTEDGLPLG DATA SEQUENCE VNLGKNKTSV DAAEDYAEGV RVLGPLADYL VVNVSSPNTA GLRSLQGKAE DATA SEQUENCE LRRLLTKVLQ ERDGLRRVHR PAVLVKIAPD LTSQDKEDIA SVVKELGIDG DATA SEQUENCE LIVTNTTVSR PAGLQGALRS ETGGLSGKPL RDLSTQTIRE MYALTQGRVP DATA SEQUENCE IIGVGGVSSG QDALEKIRAG ASLVQLYTAL TFWGPPVVGK VKRELEALLK DATA SEQUENCE EQGFGGVTDA IGADHRR 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 30 M HA 0.000 nan 4.480 nan 0.000 0.227 30 M C 0.000 176.465 176.300 0.275 0.000 1.140 30 M CA 0.000 55.397 55.300 0.162 0.000 0.988 30 M CB 0.000 32.642 32.600 0.070 0.000 1.302 31 A N 0.198 123.108 122.820 0.152 0.000 2.119 31 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 31 A C 1.784 179.432 177.584 0.107 0.000 1.153 31 A CA 2.217 54.334 52.037 0.134 0.000 0.692 31 A CB -0.858 18.192 19.000 0.084 0.000 0.799 31 A HN 0.681 nan 8.150 nan 0.000 0.458 32 T N -0.276 114.331 114.554 0.089 0.000 2.833 32 T HA 0.191 4.541 4.350 -0.000 0.000 0.269 32 T C 1.316 176.069 174.700 0.087 0.000 1.054 32 T CA 1.397 63.535 62.100 0.063 0.000 1.135 32 T CB -0.493 68.390 68.868 0.025 0.000 0.869 32 T HN 1.538 nan 8.240 nan 0.000 0.466 33 G N 2.565 111.459 108.800 0.157 0.000 2.470 33 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.286 33 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.286 33 G C -0.525 174.437 174.900 0.103 0.000 1.115 33 G CA 0.042 45.194 45.100 0.087 0.000 1.122 33 G HN 0.613 nan 8.290 nan 0.000 0.522 34 D N -0.617 119.935 120.400 0.253 0.000 2.233 34 D HA 0.538 5.178 4.640 -0.000 0.000 0.240 34 D C 1.385 177.862 176.300 0.295 0.000 1.074 34 D CA -0.549 53.587 54.000 0.228 0.000 0.838 34 D CB 0.760 41.690 40.800 0.217 0.000 1.124 34 D HN 0.317 nan 8.370 nan 0.000 0.475 35 E N 2.187 122.478 120.200 0.152 0.000 2.070 35 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 35 E C 1.719 178.429 176.600 0.183 0.000 1.004 35 E CA 1.092 57.566 56.400 0.122 0.000 0.805 35 E CB 0.195 29.905 29.700 0.018 0.000 0.744 35 E HN 0.469 nan 8.360 nan 0.000 0.451 36 R N -0.290 120.317 120.500 0.178 0.000 2.075 36 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 36 R C 2.301 178.790 176.300 0.314 0.000 1.126 36 R CA 1.114 57.329 56.100 0.191 0.000 0.963 36 R CB -0.395 30.005 30.300 0.167 0.000 0.858 36 R HN 0.176 nan 8.270 nan 0.000 0.435 37 F N 0.613 120.700 119.950 0.229 0.000 2.095 37 F HA -0.255 4.272 4.527 0.000 0.000 0.298 37 F C 1.775 177.713 175.800 0.231 0.000 1.104 37 F CA 1.448 59.584 58.000 0.227 0.000 1.232 37 F CB -0.438 38.626 39.000 0.106 0.000 0.987 37 F HN -0.060 nan 8.300 nan 0.000 0.475 38 Y N -0.040 120.325 120.300 0.109 0.000 2.200 38 Y HA -0.077 4.473 4.550 -0.000 0.000 0.290 38 Y C 2.608 178.551 175.900 0.071 0.000 1.137 38 Y CA 1.478 59.593 58.100 0.025 0.000 1.163 38 Y CB -1.241 37.301 38.460 0.137 0.000 0.988 38 Y HN 0.132 nan 8.280 nan 0.000 0.518 39 A N 0.026 123.045 122.820 0.332 0.000 1.873 39 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 39 A C 1.994 179.712 177.584 0.223 0.000 1.186 39 A CA 1.952 54.225 52.037 0.393 0.000 0.616 39 A CB -0.504 18.657 19.000 0.268 0.000 0.823 39 A HN 0.520 nan 8.150 nan 0.000 0.442 40 E N -2.052 118.197 120.200 0.082 0.000 2.190 40 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 40 E C 1.559 177.911 176.600 -0.414 0.000 0.978 40 E CA 1.068 57.388 56.400 -0.133 0.000 0.839 40 E CB 0.006 29.607 29.700 -0.166 0.000 0.787 40 E HN 0.842 nan 8.360 nan 0.000 0.473 41 H N -0.503 118.436 119.070 -0.219 0.000 2.247 41 H HA 0.170 4.726 4.556 0.000 0.000 0.267 41 H C 1.794 176.862 175.328 -0.434 0.000 0.952 41 H CA -0.030 55.810 56.048 -0.348 0.000 1.250 41 H CB -0.120 29.349 29.762 -0.488 0.000 1.441 41 H HN -0.090 nan 8.280 nan 0.000 0.553 42 L N 0.194 121.054 121.223 -0.605 0.000 1.955 42 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 42 L C 1.868 178.602 176.870 -0.226 0.000 1.072 42 L CA 1.326 55.872 54.840 -0.491 0.000 0.755 42 L CB -0.124 41.474 42.059 -0.769 0.000 0.888 42 L HN 0.238 nan 8.230 nan 0.000 0.432 43 M N -0.451 119.072 119.600 -0.129 0.000 2.082 43 M HA -0.160 4.320 4.480 -0.000 0.000 0.258 43 M C -0.003 176.265 176.300 -0.053 0.000 1.069 43 M CA 2.088 57.365 55.300 -0.038 0.000 1.102 43 M CB -2.549 30.083 32.600 0.054 0.000 1.336 43 M HN 0.158 nan 8.290 nan 0.000 0.404 44 P HA -0.084 nan 4.420 nan 0.000 0.215 44 P C 1.558 178.828 177.300 -0.050 0.000 1.153 44 P CA 1.498 64.576 63.100 -0.037 0.000 0.853 44 P CB -0.231 31.445 31.700 -0.042 0.000 0.788 45 T N -0.217 114.296 114.554 -0.069 0.000 2.777 45 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 45 T C 1.671 176.338 174.700 -0.055 0.000 1.040 45 T CA 0.867 62.934 62.100 -0.055 0.000 1.141 45 T CB -0.906 67.927 68.868 -0.058 0.000 0.868 45 T HN -0.023 nan 8.240 nan 0.000 0.444 46 L N 1.337 122.516 121.223 -0.073 0.000 2.046 46 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 46 L C 2.320 179.152 176.870 -0.064 0.000 1.077 46 L CA 1.780 56.574 54.840 -0.076 0.000 0.747 46 L CB -0.653 41.349 42.059 -0.096 0.000 0.896 46 L HN 0.259 nan 8.230 nan 0.000 0.432 47 Q N -1.309 118.453 119.800 -0.063 0.000 2.378 47 Q HA 0.001 4.341 4.340 -0.000 0.000 0.205 47 Q C 1.851 177.826 176.000 -0.041 0.000 0.954 47 Q CA 0.808 56.575 55.803 -0.061 0.000 0.901 47 Q CB -0.231 28.462 28.738 -0.075 0.000 0.981 47 Q HN 0.651 nan 8.270 nan 0.000 0.483 48 G N -0.100 108.680 108.800 -0.034 0.000 2.777 48 G HA2 0.012 3.972 3.960 -0.000 0.000 0.211 48 G HA3 0.012 3.972 3.960 -0.000 0.000 0.211 48 G C 1.165 176.053 174.900 -0.020 0.000 1.149 48 G CA 0.090 45.177 45.100 -0.022 0.000 0.785 48 G HN 0.158 nan 8.290 nan 0.000 0.536 49 L N -0.902 120.305 121.223 -0.025 0.000 2.642 49 L HA 0.457 4.797 4.340 -0.000 0.000 0.233 49 L C 0.282 177.139 176.870 -0.022 0.000 1.077 49 L CA 0.162 54.990 54.840 -0.020 0.000 0.879 49 L CB 0.325 42.372 42.059 -0.019 0.000 1.151 49 L HN 0.001 nan 8.230 nan 0.000 0.495 50 L N 0.605 121.810 121.223 -0.031 0.000 2.362 50 L HA 0.332 4.672 4.340 -0.000 0.000 0.271 50 L C -0.706 176.142 176.870 -0.037 0.000 1.002 50 L CA -0.991 53.830 54.840 -0.031 0.000 0.818 50 L CB 1.968 44.005 42.059 -0.036 0.000 1.298 50 L HN 0.065 nan 8.230 nan 0.000 0.420 51 D N 1.674 122.052 120.400 -0.036 0.000 2.360 51 D HA 0.111 4.751 4.640 -0.000 0.000 0.242 51 D C -2.167 174.096 176.300 -0.061 0.000 1.184 51 D CA -1.420 52.549 54.000 -0.052 0.000 0.930 51 D CB 1.060 41.826 40.800 -0.056 0.000 1.161 51 D HN 0.165 nan 8.370 nan 0.000 0.447 52 P HA -0.244 nan 4.420 nan 0.000 0.216 52 P C 1.355 178.636 177.300 -0.031 0.000 1.167 52 P CA 1.993 65.031 63.100 -0.103 0.000 0.914 52 P CB 0.104 31.687 31.700 -0.194 0.000 0.793 53 E N -0.937 119.236 120.200 -0.045 0.000 2.077 53 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 53 E C 1.968 178.624 176.600 0.093 0.000 0.989 53 E CA 1.505 57.946 56.400 0.069 0.000 0.800 53 E CB -0.383 29.330 29.700 0.022 0.000 0.746 53 E HN 0.070 nan 8.360 nan 0.000 0.452 54 S N 0.180 115.898 115.700 0.030 0.000 2.382 54 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 54 S C 1.979 176.587 174.600 0.013 0.000 1.027 54 S CA 0.890 59.102 58.200 0.020 0.000 0.991 54 S CB -0.232 62.968 63.200 -0.000 0.000 0.823 54 S HN 0.484 nan 8.310 nan 0.000 0.469 55 A N 1.248 124.075 122.820 0.012 0.000 1.902 55 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 55 A C 1.891 179.505 177.584 0.049 0.000 1.181 55 A CA 2.132 54.170 52.037 0.001 0.000 0.623 55 A CB -1.011 17.979 19.000 -0.016 0.000 0.818 55 A HN 0.628 nan 8.150 nan 0.000 0.443 56 H N 0.037 119.115 119.070 0.013 0.000 2.321 56 H HA -0.060 4.496 4.556 0.000 0.000 0.300 56 H C 2.176 177.485 175.328 -0.031 0.000 1.087 56 H CA 2.108 58.178 56.048 0.036 0.000 1.319 56 H CB -0.165 29.633 29.762 0.060 0.000 1.379 56 H HN 0.454 nan 8.280 nan 0.000 0.501 57 R N -0.544 119.845 120.500 -0.186 0.000 2.096 57 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 57 R C 2.312 178.527 176.300 -0.141 0.000 1.127 57 R CA 1.349 57.315 56.100 -0.223 0.000 0.968 57 R CB -0.462 29.808 30.300 -0.051 0.000 0.861 57 R HN 0.297 nan 8.270 nan 0.000 0.440 58 L N 0.874 122.058 121.223 -0.065 0.000 2.093 58 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 58 L C 2.303 179.177 176.870 0.006 0.000 1.085 58 L CA 1.656 56.493 54.840 -0.005 0.000 0.755 58 L CB -0.533 41.478 42.059 -0.079 0.000 0.904 58 L HN 0.128 nan 8.230 nan 0.000 0.435 59 A N -1.116 121.681 122.820 -0.039 0.000 1.883 59 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 59 A C 2.255 179.921 177.584 0.137 0.000 1.186 59 A CA 2.129 54.226 52.037 0.100 0.000 0.624 59 A CB -1.112 18.052 19.000 0.274 0.000 0.822 59 A HN 0.283 nan 8.150 nan 0.000 0.444 60 V N 0.091 119.891 119.914 -0.189 0.000 2.343 60 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 60 V C 2.648 178.727 176.094 -0.025 0.000 1.051 60 V CA 2.182 64.320 62.300 -0.271 0.000 1.036 60 V CB -0.856 30.641 31.823 -0.544 0.000 0.654 60 V HN 0.519 nan 8.190 nan 0.000 0.451 61 R N -0.849 119.675 120.500 0.040 0.000 2.080 61 R HA -0.161 4.179 4.340 -0.000 0.000 0.236 61 R C 2.284 178.696 176.300 0.187 0.000 1.137 61 R CA 1.927 58.095 56.100 0.115 0.000 0.943 61 R CB -0.625 29.775 30.300 0.168 0.000 0.846 61 R HN 0.395 nan 8.270 nan 0.000 0.431 62 F N 1.028 120.997 119.950 0.032 0.000 2.126 62 F HA -0.194 4.333 4.527 0.000 0.000 0.299 62 F C 2.660 178.505 175.800 0.075 0.000 1.096 62 F CA 1.509 59.545 58.000 0.061 0.000 1.255 62 F CB -0.869 38.181 39.000 0.084 0.000 0.997 62 F HN 0.021 nan 8.300 nan 0.000 0.479 63 T N -0.696 114.030 114.554 0.286 0.000 2.708 63 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 63 T C 2.296 177.074 174.700 0.130 0.000 1.037 63 T CA 1.730 63.958 62.100 0.213 0.000 1.146 63 T CB -0.653 68.382 68.868 0.278 0.000 0.865 63 T HN 0.401 nan 8.240 nan 0.000 0.435 64 S N 1.737 117.493 115.700 0.093 0.000 2.399 64 S HA 0.010 4.480 4.470 -0.000 0.000 0.231 64 S C 1.868 176.489 174.600 0.034 0.000 1.022 64 S CA 0.854 59.085 58.200 0.050 0.000 0.983 64 S CB -0.698 62.517 63.200 0.025 0.000 0.803 64 S HN 0.473 nan 8.310 nan 0.000 0.480 65 L N 0.860 122.094 121.223 0.018 0.000 2.592 65 L HA 0.324 4.664 4.340 -0.000 0.000 0.227 65 L C 1.834 178.701 176.870 -0.006 0.000 1.127 65 L CA 0.317 55.143 54.840 -0.022 0.000 0.884 65 L CB -0.652 41.346 42.059 -0.101 0.000 1.065 65 L HN 0.601 nan 8.230 nan 0.000 0.457 66 G N 0.834 109.657 108.800 0.039 0.000 2.143 66 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 66 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 66 G C 0.334 175.271 174.900 0.061 0.000 0.991 66 G CA -0.187 44.946 45.100 0.055 0.000 0.689 66 G HN 0.290 nan 8.290 nan 0.000 0.522 67 L N 0.764 122.022 121.223 0.058 0.000 2.376 67 L HA 0.442 4.782 4.340 -0.000 0.000 0.250 67 L C 0.627 177.630 176.870 0.222 0.000 1.335 67 L CA 0.105 55.001 54.840 0.093 0.000 1.214 67 L CB -0.316 41.714 42.059 -0.048 0.000 1.395 67 L HN 0.154 nan 8.230 nan 0.000 0.424 68 L N 2.160 123.480 121.223 0.162 0.000 2.354 68 L HA 0.647 4.987 4.340 -0.000 0.000 0.264 68 L C -1.833 175.118 176.870 0.134 0.000 1.008 68 L CA -1.920 53.014 54.840 0.157 0.000 0.819 68 L CB 1.862 43.983 42.059 0.103 0.000 1.339 68 L HN 0.192 nan 8.230 nan 0.000 0.420 74 Q N 4.669 124.035 119.800 -0.724 0.000 2.257 74 Q HA 0.301 4.641 4.340 -0.000 0.000 0.255 74 Q C -1.054 174.447 176.000 -0.832 0.000 0.920 74 Q CA -1.017 54.459 55.803 -0.544 0.000 0.927 74 Q CB 1.550 30.104 28.738 -0.307 0.000 1.229 74 Q HN 0.449 nan 8.270 nan 0.000 0.433 75 D N 1.833 121.997 120.400 -0.392 0.000 2.424 75 D HA 0.042 4.682 4.640 -0.000 0.000 0.244 75 D C 0.076 176.292 176.300 -0.140 0.000 1.134 75 D CA 0.284 54.180 54.000 -0.174 0.000 0.881 75 D CB 0.916 41.740 40.800 0.041 0.000 1.191 75 D HN 0.464 nan 8.370 nan 0.000 0.445 76 S N 0.909 116.568 115.700 -0.067 0.000 2.690 76 S HA 0.218 4.688 4.470 -0.000 0.000 0.291 76 S C 0.680 175.293 174.600 0.022 0.000 1.138 76 S CA -0.797 57.385 58.200 -0.031 0.000 1.013 76 S CB 1.640 64.835 63.200 -0.009 0.000 1.053 76 S HN 0.168 nan 8.310 nan 0.000 0.539 77 D N 1.044 121.456 120.400 0.020 0.000 2.190 77 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 77 D C 1.742 178.073 176.300 0.052 0.000 0.992 77 D CA 1.542 55.563 54.000 0.035 0.000 0.854 77 D CB -0.408 40.408 40.800 0.027 0.000 0.936 77 D HN 0.582 nan 8.370 nan 0.000 0.462 78 M N -0.259 119.375 119.600 0.057 0.000 2.149 78 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 78 M C 1.942 178.288 176.300 0.078 0.000 1.064 78 M CA 1.090 56.432 55.300 0.069 0.000 1.102 78 M CB -0.173 32.474 32.600 0.079 0.000 1.369 78 M HN 0.036 nan 8.290 nan 0.000 0.408 79 L N -0.486 120.795 121.223 0.095 0.000 2.554 79 L HA 0.007 4.347 4.340 -0.000 0.000 0.226 79 L C 1.115 178.053 176.870 0.114 0.000 1.137 79 L CA -0.057 54.850 54.840 0.113 0.000 0.863 79 L CB -0.566 41.589 42.059 0.160 0.000 0.985 79 L HN 0.310 nan 8.230 nan 0.000 0.451 80 E N 1.158 121.419 120.200 0.102 0.000 2.384 80 E HA 0.266 4.616 4.350 -0.000 0.000 0.266 80 E C -1.114 175.546 176.600 0.101 0.000 1.012 80 E CA -0.147 56.322 56.400 0.114 0.000 0.901 80 E CB 1.004 30.758 29.700 0.091 0.000 0.967 80 E HN -0.119 nan 8.360 nan 0.000 0.435 81 V N 4.813 124.808 119.914 0.135 0.000 2.925 81 V HA 0.469 4.589 4.120 -0.000 0.000 0.311 81 V C -0.358 175.833 176.094 0.161 0.000 1.104 81 V CA -0.917 61.434 62.300 0.085 0.000 0.954 81 V CB 2.070 33.882 31.823 -0.017 0.000 1.022 81 V HN 0.689 nan 8.190 nan 0.000 0.427 82 R N 2.343 122.905 120.500 0.103 0.000 2.435 82 R HA 0.803 5.143 4.340 -0.000 0.000 0.308 82 R C -1.505 174.847 176.300 0.087 0.000 0.975 82 R CA -0.162 56.025 56.100 0.145 0.000 0.867 82 R CB 1.750 32.104 30.300 0.090 0.000 1.171 82 R HN 0.757 nan 8.270 nan 0.000 0.470 83 V N 0.530 120.534 119.914 0.149 0.000 3.258 83 V HA 0.427 4.547 4.120 -0.000 0.000 0.299 83 V C 0.487 176.677 176.094 0.161 0.000 1.376 83 V CA -1.210 61.122 62.300 0.053 0.000 1.063 83 V CB 1.861 33.613 31.823 -0.118 0.000 1.103 83 V HN 0.830 nan 8.190 nan 0.000 0.451 84 L N 0.839 122.101 121.223 0.065 0.000 3.839 84 L HA -0.174 4.166 4.340 -0.000 0.000 0.416 84 L C 1.413 178.317 176.870 0.056 0.000 1.195 84 L CA 0.858 55.759 54.840 0.101 0.000 0.946 84 L CB -1.739 40.429 42.059 0.181 0.000 1.891 84 L HN 2.045 nan 8.230 nan 0.000 0.963 85 G N -1.151 107.613 108.800 -0.059 0.000 2.198 85 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 85 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 85 G C 0.132 174.691 174.900 -0.569 0.000 1.025 85 G CA 0.621 45.557 45.100 -0.273 0.000 0.769 85 G HN 0.673 nan 8.290 nan 0.000 0.507 86 H N -1.292 117.830 119.070 0.088 0.000 3.008 86 H HA 0.518 5.074 4.556 -0.000 0.000 0.354 86 H C -0.386 174.979 175.328 0.061 0.000 1.252 86 H CA -0.646 55.403 56.048 0.003 0.000 1.117 86 H CB 1.775 31.446 29.762 -0.152 0.000 1.857 86 H HN 0.243 nan 8.280 nan 0.000 0.547 87 K N 1.457 121.902 120.400 0.076 0.000 2.182 87 K HA 0.430 4.750 4.320 -0.000 0.000 0.262 87 K C -1.482 175.101 176.600 -0.029 0.000 0.957 87 K CA -0.448 55.904 56.287 0.108 0.000 0.842 87 K CB 0.710 33.243 32.500 0.054 0.000 1.099 87 K HN 0.209 nan 8.250 nan 0.000 0.438 88 F N 3.987 123.971 119.950 0.057 0.000 2.460 88 F HA 0.330 4.857 4.527 0.000 0.000 0.341 88 F C 1.251 177.109 175.800 0.096 0.000 1.130 88 F CA -0.984 57.065 58.000 0.081 0.000 0.962 88 F CB 1.737 40.761 39.000 0.039 0.000 1.171 88 F HN 0.624 nan 8.300 nan 0.000 0.436 89 R N 1.230 121.868 120.500 0.230 0.000 2.152 89 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 89 R C -0.399 176.026 176.300 0.209 0.000 1.117 89 R CA 1.439 57.644 56.100 0.175 0.000 0.981 89 R CB -0.437 29.935 30.300 0.120 0.000 0.870 89 R HN 0.689 nan 8.270 nan 0.000 0.451 90 N N -1.233 117.640 118.700 0.288 0.000 2.396 90 N HA 0.226 4.966 4.740 -0.000 0.000 0.275 90 N C -2.727 172.992 175.510 0.349 0.000 1.218 90 N CA -2.072 51.141 53.050 0.272 0.000 0.812 90 N CB 2.255 40.896 38.487 0.256 0.000 1.592 90 N HN -0.278 nan 8.380 nan 0.000 0.480 91 P HA 0.086 nan 4.420 nan 0.000 0.253 91 P C -0.684 176.847 177.300 0.384 0.000 1.260 91 P CA 0.133 63.386 63.100 0.256 0.000 0.800 91 P CB 0.236 31.994 31.700 0.096 0.000 1.162 92 V N 0.601 120.724 119.914 0.348 0.000 2.333 92 V HA 0.603 4.723 4.120 -0.000 0.000 0.274 92 V C 0.941 177.159 176.094 0.205 0.000 1.028 92 V CA -0.385 62.069 62.300 0.255 0.000 0.851 92 V CB 0.994 32.910 31.823 0.154 0.000 1.000 92 V HN 0.101 nan 8.190 nan 0.000 0.456 93 G N 3.401 112.071 108.800 -0.216 0.000 2.568 93 G HA2 0.686 4.646 3.960 -0.000 0.000 0.313 93 G HA3 0.686 4.646 3.960 -0.000 0.000 0.313 93 G C -1.177 173.311 174.900 -0.687 0.000 1.227 93 G CA -0.818 43.740 45.100 -0.903 0.000 0.979 93 G HN 0.589 nan 8.290 nan 0.000 0.486 94 I N 1.336 121.192 120.570 -1.190 0.000 2.325 94 I HA 0.617 4.787 4.170 -0.000 0.000 0.291 94 I C 0.858 176.638 176.117 -0.563 0.000 1.019 94 I CA -0.532 60.075 61.300 -1.155 0.000 1.302 94 I CB 0.635 37.688 38.000 -1.579 0.000 1.401 94 I HN 0.685 nan 8.210 nan 0.000 0.485 95 A N 6.142 128.778 122.820 -0.307 0.000 2.429 95 A HA 0.630 4.950 4.320 -0.000 0.000 0.242 95 A C 0.551 178.062 177.584 -0.121 0.000 1.088 95 A CA 0.084 52.058 52.037 -0.105 0.000 0.784 95 A CB -0.262 18.773 19.000 0.058 0.000 1.038 95 A HN 1.115 nan 8.150 nan 0.000 0.501 96 A N -0.739 122.075 122.820 -0.011 0.000 2.425 96 A HA 0.522 4.842 4.320 -0.000 0.000 0.242 96 A C 1.537 179.129 177.584 0.013 0.000 1.077 96 A CA 0.832 52.858 52.037 -0.019 0.000 0.781 96 A CB -0.381 18.645 19.000 0.044 0.000 1.020 96 A HN 2.707 nan 8.150 nan 0.000 0.494 97 G N -0.208 108.556 108.800 -0.060 0.000 2.376 97 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.208 97 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.208 97 G C 0.961 175.764 174.900 -0.161 0.000 1.032 97 G CA 0.891 45.987 45.100 -0.007 0.000 0.641 97 G HN 1.265 nan 8.290 nan 0.000 0.503 98 F N 2.335 121.903 119.950 -0.637 0.000 2.084 98 F HA 0.299 4.826 4.527 -0.000 0.000 0.296 98 F C 0.992 176.676 175.800 -0.194 0.000 1.111 98 F CA 1.808 59.457 58.000 -0.585 0.000 1.224 98 F CB 0.240 38.710 39.000 -0.884 0.000 0.991 98 F HN 0.105 nan 8.300 nan 0.000 0.471 99 D N 0.327 120.533 120.400 -0.323 0.000 2.514 99 D HA 0.151 4.791 4.640 -0.000 0.000 0.267 99 D C 0.805 176.879 176.300 -0.377 0.000 1.165 99 D CA -0.025 53.749 54.000 -0.377 0.000 0.958 99 D CB 0.340 41.012 40.800 -0.214 0.000 0.992 99 D HN 0.189 nan 8.370 nan 0.000 0.506 100 K N 0.193 120.264 120.400 -0.548 0.000 2.148 100 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 100 K C 0.725 176.962 176.600 -0.606 0.000 1.050 100 K CA 0.898 56.813 56.287 -0.620 0.000 0.942 100 K CB 0.208 32.217 32.500 -0.819 0.000 0.724 100 K HN 0.474 nan 8.250 nan 0.000 0.446 101 H N -1.077 117.811 119.070 -0.303 0.000 2.542 101 H HA 0.208 4.764 4.556 -0.000 0.000 0.283 101 H C 0.690 175.914 175.328 -0.173 0.000 1.059 101 H CA 0.367 56.229 56.048 -0.310 0.000 1.162 101 H CB 0.577 29.941 29.762 -0.663 0.000 1.539 101 H HN 0.307 nan 8.280 nan 0.000 0.543 102 G N 2.051 110.782 108.800 -0.114 0.000 2.295 102 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.287 102 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.287 102 G C 0.608 175.486 174.900 -0.036 0.000 1.055 102 G CA 0.540 45.596 45.100 -0.074 0.000 0.922 102 G HN 0.529 nan 8.290 nan 0.000 0.503 103 E N -0.751 119.416 120.200 -0.056 0.000 2.415 103 E HA 0.393 4.743 4.350 -0.000 0.000 0.197 103 E C 1.933 178.518 176.600 -0.024 0.000 1.007 103 E CA 0.606 56.993 56.400 -0.022 0.000 0.890 103 E CB 0.431 30.121 29.700 -0.017 0.000 0.891 103 E HN 0.771 nan 8.360 nan 0.000 0.496 104 A N 0.547 123.340 122.820 -0.044 0.000 2.594 104 A HA 0.237 4.557 4.320 -0.000 0.000 0.292 104 A C 1.519 179.095 177.584 -0.013 0.000 1.026 104 A CA -0.252 51.783 52.037 -0.004 0.000 0.983 104 A CB 0.066 19.083 19.000 0.028 0.000 1.233 104 A HN 0.024 nan 8.150 nan 0.000 0.519 105 V N 0.526 120.414 119.914 -0.043 0.000 2.278 105 V HA -0.314 3.806 4.120 -0.000 0.000 0.251 105 V C 2.182 178.235 176.094 -0.068 0.000 1.062 105 V CA 2.651 64.889 62.300 -0.103 0.000 1.038 105 V CB -0.473 31.330 31.823 -0.033 0.000 0.646 105 V HN 0.594 nan 8.190 nan 0.000 0.447 106 D N 0.296 120.747 120.400 0.086 0.000 2.144 106 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 106 D C 2.173 178.563 176.300 0.149 0.000 0.978 106 D CA 1.627 55.743 54.000 0.192 0.000 0.833 106 D CB -0.334 40.553 40.800 0.146 0.000 0.961 106 D HN 0.537 nan 8.370 nan 0.000 0.470 107 G N 0.752 109.609 108.800 0.095 0.000 2.471 107 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 107 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 107 G C 1.793 176.760 174.900 0.112 0.000 1.125 107 G CA 0.091 45.254 45.100 0.104 0.000 0.775 107 G HN 0.212 nan 8.290 nan 0.000 0.548 108 L N -1.290 119.969 121.223 0.059 0.000 2.131 108 L HA 0.075 4.415 4.340 -0.000 0.000 0.206 108 L C 2.532 179.487 176.870 0.142 0.000 1.087 108 L CA 0.598 55.483 54.840 0.075 0.000 0.767 108 L CB -0.330 41.651 42.059 -0.129 0.000 0.917 108 L HN 0.204 nan 8.230 nan 0.000 0.441 109 Y N 0.136 120.529 120.300 0.156 0.000 2.224 109 Y HA -0.267 4.283 4.550 0.000 0.000 0.289 109 Y C 2.688 178.651 175.900 0.104 0.000 1.146 109 Y CA 1.201 59.385 58.100 0.140 0.000 1.182 109 Y CB -0.072 38.442 38.460 0.091 0.000 0.983 109 Y HN 0.086 nan 8.280 nan 0.000 0.524 110 K N 0.521 121.060 120.400 0.232 0.000 2.283 110 K HA -0.190 4.130 4.320 -0.000 0.000 0.202 110 K C 1.981 178.634 176.600 0.087 0.000 1.048 110 K CA 0.999 57.370 56.287 0.141 0.000 0.948 110 K CB -0.169 32.401 32.500 0.116 0.000 0.742 110 K HN 0.325 nan 8.250 nan 0.000 0.458 111 M N -0.843 118.804 119.600 0.078 0.000 2.562 111 M HA -0.008 4.472 4.480 -0.000 0.000 0.257 111 M C 0.664 176.866 176.300 -0.163 0.000 1.099 111 M CA 1.403 56.684 55.300 -0.033 0.000 1.099 111 M CB 0.445 33.040 32.600 -0.009 0.000 1.427 111 M HN 0.454 nan 8.290 nan 0.000 0.489 112 G N -0.395 108.364 108.800 -0.068 0.000 2.192 112 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.193 112 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.193 112 G C -0.077 174.777 174.900 -0.078 0.000 0.999 112 G CA -0.635 44.419 45.100 -0.078 0.000 0.659 112 G HN 0.382 nan 8.290 nan 0.000 0.503 113 F N 1.352 121.337 119.950 0.059 0.000 2.529 113 F HA 0.435 4.962 4.527 0.000 0.000 0.365 113 F C 1.882 177.795 175.800 0.189 0.000 1.102 113 F CA 0.865 58.887 58.000 0.036 0.000 1.271 113 F CB 1.333 40.264 39.000 -0.115 0.000 1.120 113 F HN 0.021 nan 8.300 nan 0.000 0.579 114 G N 3.370 112.436 108.800 0.443 0.000 2.534 114 G HA2 0.040 4.000 3.960 -0.000 0.000 0.217 114 G HA3 0.040 4.000 3.960 -0.000 0.000 0.217 114 G C -0.245 175.100 174.900 0.742 0.000 1.128 114 G CA 0.320 45.744 45.100 0.540 0.000 0.784 114 G HN 0.613 nan 8.290 nan 0.000 0.542 115 F N -2.736 117.479 119.950 0.441 0.000 2.703 115 F HA 0.669 5.196 4.527 -0.000 0.000 0.308 115 F C -1.433 174.460 175.800 0.154 0.000 1.126 115 F CA -1.633 56.612 58.000 0.408 0.000 0.959 115 F CB 1.232 40.551 39.000 0.532 0.000 1.297 115 F HN -0.141 nan 8.300 nan 0.000 0.441 116 V N 1.384 121.333 119.914 0.060 0.000 2.628 116 V HA 0.592 4.712 4.120 -0.000 0.000 0.306 116 V C -0.982 175.049 176.094 -0.105 0.000 1.045 116 V CA -0.629 61.505 62.300 -0.276 0.000 0.905 116 V CB 1.798 33.292 31.823 -0.548 0.000 0.997 116 V HN 0.892 nan 8.190 nan 0.000 0.436 117 E N 3.852 123.948 120.200 -0.173 0.000 2.241 117 E HA 0.613 4.963 4.350 -0.000 0.000 0.263 117 E C -1.092 175.419 176.600 -0.148 0.000 0.882 117 E CA -0.623 55.714 56.400 -0.104 0.000 0.769 117 E CB 1.854 31.585 29.700 0.053 0.000 1.185 117 E HN 0.759 nan 8.360 nan 0.000 0.415 118 I N 1.033 121.516 120.570 -0.145 0.000 2.947 118 I HA 0.956 5.126 4.170 -0.000 0.000 0.314 118 I C 0.451 176.491 176.117 -0.128 0.000 1.028 118 I CA -0.197 61.012 61.300 -0.152 0.000 1.077 118 I CB 1.752 39.665 38.000 -0.145 0.000 1.274 118 I HN 0.746 nan 8.210 nan 0.000 0.485 119 G N 2.154 110.860 108.800 -0.157 0.000 2.422 119 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.607 119 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.607 119 G C -0.770 174.058 174.900 -0.119 0.000 1.270 119 G CA -0.444 44.573 45.100 -0.138 0.000 0.992 119 G HN 0.861 nan 8.290 nan 0.000 0.499 120 S N -1.123 114.531 115.700 -0.076 0.000 2.572 120 S HA 0.501 4.971 4.470 -0.000 0.000 0.279 120 S C 0.489 174.951 174.600 -0.230 0.000 1.341 120 S CA -0.087 58.008 58.200 -0.174 0.000 1.043 120 S CB 1.357 64.358 63.200 -0.332 0.000 0.887 120 S HN 1.213 nan 8.310 nan 0.000 0.516 121 V N 2.929 122.704 119.914 -0.231 0.000 2.495 121 V HA 0.527 4.647 4.120 -0.000 0.000 0.298 121 V C 0.474 176.420 176.094 -0.246 0.000 1.031 121 V CA -0.914 61.280 62.300 -0.176 0.000 0.871 121 V CB 1.577 33.336 31.823 -0.108 0.000 0.988 121 V HN 1.018 nan 8.190 nan 0.000 0.432 122 T N 2.160 116.593 114.554 -0.202 0.000 2.943 122 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 122 T C -2.056 172.566 174.700 -0.130 0.000 1.015 122 T CA -2.085 59.890 62.100 -0.209 0.000 1.042 122 T CB 2.143 70.922 68.868 -0.148 0.000 1.055 122 T HN 0.342 nan 8.240 nan 0.000 0.500 123 P HA -0.050 nan 4.420 nan 0.000 0.214 123 P C 0.252 177.519 177.300 -0.055 0.000 1.163 123 P CA 1.321 64.367 63.100 -0.089 0.000 0.889 123 P CB 0.175 31.820 31.700 -0.091 0.000 0.790 124 K N -1.279 119.096 120.400 -0.043 0.000 2.123 124 K HA 0.437 4.757 4.320 -0.000 0.000 0.248 124 K C -2.507 174.087 176.600 -0.010 0.000 0.969 124 K CA -2.846 53.428 56.287 -0.022 0.000 0.882 124 K CB -0.478 32.013 32.500 -0.014 0.000 1.080 124 K HN -0.146 nan 8.250 nan 0.000 0.441 125 P HA 0.112 nan 4.420 nan 0.000 0.272 125 P C -1.036 176.278 177.300 0.023 0.000 1.223 125 P CA -0.145 62.962 63.100 0.012 0.000 0.784 125 P CB 0.488 32.184 31.700 -0.006 0.000 0.923 126 Q N -0.648 119.180 119.800 0.047 0.000 2.479 126 Q HA 0.315 4.655 4.340 -0.000 0.000 0.276 126 Q C -0.307 175.743 176.000 0.084 0.000 0.989 126 Q CA -0.715 55.123 55.803 0.060 0.000 0.864 126 Q CB 1.266 30.048 28.738 0.072 0.000 1.444 126 Q HN 0.265 nan 8.270 nan 0.000 0.388 127 E N 1.254 121.499 120.200 0.076 0.000 2.285 127 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 127 E C 0.717 177.391 176.600 0.123 0.000 0.997 127 E CA 0.868 57.322 56.400 0.090 0.000 0.845 127 E CB 0.086 29.824 29.700 0.063 0.000 0.782 127 E HN 0.870 nan 8.360 nan 0.000 0.491 128 G N 1.583 110.456 108.800 0.122 0.000 2.725 128 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 128 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 128 G C -0.456 174.502 174.900 0.095 0.000 1.357 128 G CA -0.510 44.673 45.100 0.140 0.000 0.866 128 G HN 0.115 nan 8.290 nan 0.000 0.548 129 N N 1.944 120.691 118.700 0.078 0.000 2.444 129 N HA 0.439 5.179 4.740 -0.000 0.000 0.255 129 N C -1.837 173.688 175.510 0.024 0.000 1.255 129 N CA -0.363 52.708 53.050 0.036 0.000 0.933 129 N CB 0.315 38.809 38.487 0.011 0.000 1.143 129 N HN 0.559 nan 8.380 nan 0.000 0.453 130 P HA 0.151 nan 4.420 nan 0.000 0.274 130 P C -0.290 176.998 177.300 -0.020 0.000 1.231 130 P CA -0.085 63.019 63.100 0.006 0.000 0.790 130 P CB 1.059 32.765 31.700 0.010 0.000 0.951 131 R N 2.179 122.662 120.500 -0.029 0.000 2.539 131 R HA 0.342 4.682 4.340 -0.000 0.000 0.275 131 R C -1.443 174.836 176.300 -0.035 0.000 1.077 131 R CA -1.249 54.810 56.100 -0.067 0.000 1.097 131 R CB -0.337 29.927 30.300 -0.060 0.000 1.018 131 R HN 0.519 nan 8.270 nan 0.000 0.483 132 P HA 0.174 nan 4.420 nan 0.000 0.278 132 P C -0.627 176.528 177.300 -0.242 0.000 1.238 132 P CA -0.374 62.612 63.100 -0.189 0.000 0.794 132 P CB 0.900 32.498 31.700 -0.171 0.000 0.955 133 R N 0.063 120.251 120.500 -0.521 0.000 2.538 133 R HA 0.408 4.748 4.340 -0.000 0.000 0.372 133 R C -0.646 175.211 176.300 -0.738 0.000 0.950 133 R CA -0.356 55.460 56.100 -0.474 0.000 1.168 133 R CB 0.219 30.266 30.300 -0.421 0.000 1.542 133 R HN 0.188 nan 8.270 nan 0.000 0.536 134 V N 1.259 120.502 119.914 -1.117 0.000 2.760 134 V HA 0.606 4.726 4.120 -0.000 0.000 0.309 134 V C -1.306 174.106 176.094 -1.136 0.000 1.077 134 V CA -0.779 61.025 62.300 -0.826 0.000 0.910 134 V CB 1.762 33.266 31.823 -0.532 0.000 1.008 134 V HN 0.075 nan 8.190 nan 0.000 0.424 135 F N 1.538 121.410 119.950 -0.129 0.000 2.591 135 F HA 0.679 5.206 4.527 0.000 0.000 0.309 135 F C 0.214 175.966 175.800 -0.080 0.000 1.098 135 F CA -0.846 57.098 58.000 -0.093 0.000 0.937 135 F CB 2.027 40.982 39.000 -0.075 0.000 1.250 135 F HN 0.259 nan 8.300 nan 0.000 0.447 136 R N 2.010 122.563 120.500 0.089 0.000 2.404 136 R HA 0.689 5.029 4.340 -0.000 0.000 0.291 136 R C -1.328 175.041 176.300 0.115 0.000 1.025 136 R CA -0.914 55.218 56.100 0.053 0.000 0.991 136 R CB 1.196 31.491 30.300 -0.009 0.000 1.053 136 R HN 0.447 nan 8.270 nan 0.000 0.479 137 L N 4.725 126.043 121.223 0.157 0.000 2.529 137 L HA 0.257 4.597 4.340 -0.000 0.000 0.246 137 L C -1.665 175.286 176.870 0.135 0.000 1.394 137 L CA -1.424 53.484 54.840 0.113 0.000 0.906 137 L CB 1.505 43.609 42.059 0.075 0.000 1.170 137 L HN 0.465 nan 8.230 nan 0.000 0.501 138 P HA -0.190 nan 4.420 nan 0.000 0.218 138 P C 0.766 178.044 177.300 -0.037 0.000 1.148 138 P CA 1.323 64.491 63.100 0.113 0.000 0.822 138 P CB 0.576 32.358 31.700 0.137 0.000 0.784 139 E N -0.237 119.957 120.200 -0.009 0.000 2.338 139 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 139 E C 1.247 177.817 176.600 -0.050 0.000 1.007 139 E CA 0.920 57.304 56.400 -0.026 0.000 0.849 139 E CB -0.482 29.213 29.700 -0.009 0.000 0.774 139 E HN 0.401 nan 8.360 nan 0.000 0.506 140 D N -0.420 119.943 120.400 -0.062 0.000 2.433 140 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 140 D C -0.196 176.018 176.300 -0.142 0.000 1.114 140 D CA 0.014 53.973 54.000 -0.068 0.000 0.837 140 D CB 0.433 41.216 40.800 -0.027 0.000 0.984 140 D HN 0.046 nan 8.370 nan 0.000 0.505 141 Q N -0.060 119.547 119.800 -0.321 0.000 2.453 141 Q HA -0.187 4.153 4.340 -0.000 0.000 0.294 141 Q C -0.384 175.426 176.000 -0.316 0.000 1.295 141 Q CA 0.545 55.882 55.803 -0.777 0.000 0.853 141 Q CB -1.223 27.220 28.738 -0.492 0.000 1.193 141 Q HN 0.378 nan 8.270 nan 0.000 0.461 142 A N -0.736 122.099 122.820 0.026 0.000 2.486 142 A HA 0.935 5.255 4.320 -0.000 0.000 0.289 142 A C -0.747 176.980 177.584 0.238 0.000 1.176 142 A CA -0.462 51.671 52.037 0.159 0.000 0.757 142 A CB 2.141 21.174 19.000 0.056 0.000 1.337 142 A HN 0.114 nan 8.150 nan 0.000 0.423 143 V N 0.311 120.287 119.914 0.103 0.000 3.049 143 V HA 0.537 4.657 4.120 -0.000 0.000 0.309 143 V C -1.046 175.061 176.094 0.022 0.000 1.148 143 V CA -0.274 62.042 62.300 0.027 0.000 0.990 143 V CB 2.023 33.783 31.823 -0.105 0.000 1.039 143 V HN 0.748 nan 8.190 nan 0.000 0.430 144 I N 3.509 124.116 120.570 0.062 0.000 2.498 144 I HA 0.520 4.690 4.170 -0.000 0.000 0.290 144 I C -0.909 175.281 176.117 0.122 0.000 1.032 144 I CA -0.440 60.911 61.300 0.085 0.000 1.073 144 I CB 2.214 40.270 38.000 0.094 0.000 1.251 144 I HN 0.936 nan 8.210 nan 0.000 0.426 145 N N 4.645 123.379 118.700 0.057 0.000 2.277 145 N HA 0.620 5.360 4.740 -0.000 0.000 0.286 145 N C -0.907 174.609 175.510 0.012 0.000 1.140 145 N CA -1.060 51.990 53.050 -0.000 0.000 0.799 145 N CB 1.628 40.109 38.487 -0.009 0.000 1.596 145 N HN 0.578 nan 8.380 nan 0.000 0.473 146 R N 0.705 121.176 120.500 -0.049 0.000 2.647 146 R HA 0.258 4.598 4.340 -0.000 0.000 0.295 146 R C -0.577 175.692 176.300 -0.051 0.000 1.267 146 R CA -0.654 55.432 56.100 -0.024 0.000 1.386 146 R CB -0.933 29.375 30.300 0.012 0.000 1.309 146 R HN 0.513 nan 8.270 nan 0.000 0.692 147 Y N 1.620 121.900 120.300 -0.033 0.000 2.151 147 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 147 Y C 1.984 177.880 175.900 -0.007 0.000 1.166 147 Y CA 2.263 60.353 58.100 -0.017 0.000 1.163 147 Y CB 0.112 38.572 38.460 -0.001 0.000 0.974 147 Y HN 0.710 nan 8.280 nan 0.000 0.511 148 G N -1.064 107.795 108.800 0.099 0.000 2.171 148 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.238 148 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.238 148 G C 0.194 175.166 174.900 0.121 0.000 1.039 148 G CA -0.138 44.960 45.100 -0.003 0.000 0.759 148 G HN 0.516 nan 8.290 nan 0.000 0.501 149 F N -1.027 118.985 119.950 0.102 0.000 2.985 149 F HA -0.244 4.284 4.527 0.000 0.000 0.303 149 F C 1.040 176.881 175.800 0.068 0.000 0.976 149 F CA 0.229 58.265 58.000 0.059 0.000 1.013 149 F CB -1.513 37.512 39.000 0.041 0.000 1.060 149 F HN 0.678 nan 8.300 nan 0.000 0.780 150 N N 1.480 120.340 118.700 0.266 0.000 2.468 150 N HA 0.304 5.044 4.740 -0.000 0.000 0.265 150 N C -0.330 175.312 175.510 0.220 0.000 1.199 150 N CA 0.368 53.548 53.050 0.216 0.000 0.928 150 N CB 2.022 40.644 38.487 0.225 0.000 1.059 150 N HN 0.275 nan 8.380 nan 0.000 0.467 151 S N 0.959 116.770 115.700 0.186 0.000 2.533 151 S HA 0.231 4.701 4.470 -0.000 0.000 0.271 151 S C 0.101 174.763 174.600 0.104 0.000 1.143 151 S CA -0.752 57.552 58.200 0.173 0.000 0.891 151 S CB 0.761 64.006 63.200 0.076 0.000 1.105 151 S HN 0.640 nan 8.310 nan 0.000 0.468 152 H N 2.299 121.279 119.070 -0.150 0.000 2.524 152 H HA 0.274 4.830 4.556 -0.000 0.000 0.282 152 H C 1.320 176.599 175.328 -0.082 0.000 1.016 152 H CA 0.307 56.235 56.048 -0.200 0.000 1.270 152 H CB 0.206 29.803 29.762 -0.275 0.000 1.394 152 H HN 1.030 nan 8.280 nan 0.000 0.568 153 G N -0.208 108.635 108.800 0.072 0.000 2.662 153 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 153 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 153 G C 0.387 175.287 174.900 -0.000 0.000 1.271 153 G CA -0.327 44.782 45.100 0.015 0.000 0.816 153 G HN 0.158 nan 8.290 nan 0.000 0.608 154 L N 0.571 121.774 121.223 -0.034 0.000 1.989 154 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 154 L C 3.212 180.040 176.870 -0.070 0.000 1.071 154 L CA 2.345 57.152 54.840 -0.055 0.000 0.749 154 L CB -0.835 41.185 42.059 -0.066 0.000 0.890 154 L HN 0.684 nan 8.230 nan 0.000 0.431 155 S N -0.378 115.286 115.700 -0.061 0.000 2.359 155 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 155 S C 2.019 176.593 174.600 -0.044 0.000 1.038 155 S CA 1.610 59.758 58.200 -0.087 0.000 1.051 155 S CB -0.448 62.763 63.200 0.018 0.000 0.944 155 S HN 0.170 nan 8.310 nan 0.000 0.433 156 V N 1.511 121.456 119.914 0.051 0.000 2.287 156 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 156 V C 2.303 178.444 176.094 0.079 0.000 1.053 156 V CA 1.663 64.023 62.300 0.100 0.000 1.027 156 V CB -0.745 31.120 31.823 0.070 0.000 0.646 156 V HN 0.352 nan 8.190 nan 0.000 0.447 157 V N -0.198 119.741 119.914 0.041 0.000 2.427 157 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 157 V C 2.430 178.508 176.094 -0.027 0.000 1.051 157 V CA 2.102 64.415 62.300 0.022 0.000 1.048 157 V CB -0.601 31.223 31.823 0.003 0.000 0.666 157 V HN 0.688 nan 8.190 nan 0.000 0.456 158 E N 0.259 120.397 120.200 -0.103 0.000 2.038 158 E HA -0.289 4.061 4.350 -0.000 0.000 0.195 158 E C 2.120 178.620 176.600 -0.166 0.000 1.000 158 E CA 2.150 58.441 56.400 -0.182 0.000 0.803 158 E CB -0.207 29.300 29.700 -0.322 0.000 0.750 158 E HN 0.803 nan 8.360 nan 0.000 0.448 159 H N -0.618 118.452 119.070 -0.000 0.000 2.423 159 H HA -0.009 4.547 4.556 0.000 0.000 0.297 159 H C 2.299 177.630 175.328 0.005 0.000 1.075 159 H CA 1.363 57.410 56.048 -0.001 0.000 1.342 159 H CB 0.013 29.772 29.762 -0.005 0.000 1.395 159 H HN 0.068 nan 8.280 nan 0.000 0.530 160 R N 0.735 121.302 120.500 0.111 0.000 2.092 160 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 160 R C 1.659 177.987 176.300 0.047 0.000 1.119 160 R CA 0.911 57.056 56.100 0.075 0.000 0.970 160 R CB -0.003 30.339 30.300 0.070 0.000 0.864 160 R HN 0.316 nan 8.270 nan 0.000 0.440 161 L N -0.367 120.872 121.223 0.027 0.000 2.209 161 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 161 L C 2.493 179.378 176.870 0.026 0.000 1.094 161 L CA 0.752 55.602 54.840 0.018 0.000 0.790 161 L CB -0.272 41.785 42.059 -0.003 0.000 0.932 161 L HN 0.155 nan 8.230 nan 0.000 0.447 162 R N 0.304 120.821 120.500 0.030 0.000 2.120 162 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 162 R C 2.301 178.629 176.300 0.047 0.000 1.123 162 R CA 1.184 57.308 56.100 0.039 0.000 0.975 162 R CB -0.336 29.995 30.300 0.053 0.000 0.866 162 R HN 0.297 nan 8.270 nan 0.000 0.446 163 A N 1.668 124.520 122.820 0.052 0.000 2.178 163 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 163 A C 1.590 179.195 177.584 0.035 0.000 1.157 163 A CA 1.205 53.268 52.037 0.043 0.000 0.689 163 A CB -0.230 18.796 19.000 0.043 0.000 0.787 163 A HN 0.425 nan 8.150 nan 0.000 0.465 164 R N -1.344 119.178 120.500 0.036 0.000 2.569 164 R HA 0.278 4.618 4.340 -0.000 0.000 0.422 164 R C 1.196 177.515 176.300 0.032 0.000 0.980 164 R CA 0.360 56.480 56.100 0.034 0.000 1.164 164 R CB -0.650 29.675 30.300 0.041 0.000 1.520 164 R HN 0.406 nan 8.270 nan 0.000 0.567 165 Q N 1.194 121.014 119.800 0.034 0.000 2.112 165 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 165 Q C 1.272 177.289 176.000 0.028 0.000 0.987 165 Q CA 1.934 57.758 55.803 0.036 0.000 0.858 165 Q CB 0.181 28.948 28.738 0.048 0.000 0.905 165 Q HN 0.346 nan 8.270 nan 0.000 0.420 166 Q N 0.351 120.165 119.800 0.024 0.000 2.123 166 Q HA -0.122 4.218 4.340 -0.000 0.000 0.199 166 Q C 1.784 177.785 176.000 0.001 0.000 0.966 166 Q CA 1.374 57.185 55.803 0.014 0.000 0.845 166 Q CB -0.238 28.509 28.738 0.015 0.000 0.907 166 Q HN 0.406 nan 8.270 nan 0.000 0.439 167 K N 0.696 121.099 120.400 0.005 0.000 2.057 167 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 167 K C 2.058 178.645 176.600 -0.021 0.000 1.049 167 K CA 1.499 57.784 56.287 -0.004 0.000 0.931 167 K CB 0.115 32.621 32.500 0.011 0.000 0.714 167 K HN -0.044 nan 8.250 nan 0.000 0.440 168 Q N 0.694 120.491 119.800 -0.006 0.000 2.124 168 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 168 Q C 1.745 177.714 176.000 -0.052 0.000 0.977 168 Q CA 1.949 57.740 55.803 -0.020 0.000 0.850 168 Q CB -0.416 28.332 28.738 0.016 0.000 0.901 168 Q HN 0.424 nan 8.270 nan 0.000 0.429 169 A N 0.551 123.351 122.820 -0.033 0.000 1.908 169 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 169 A C 1.993 179.545 177.584 -0.054 0.000 1.181 169 A CA 1.874 53.887 52.037 -0.040 0.000 0.627 169 A CB -0.467 18.518 19.000 -0.024 0.000 0.818 169 A HN 0.411 nan 8.150 nan 0.000 0.445 170 K N -0.627 119.740 120.400 -0.054 0.000 2.103 170 K HA 0.059 4.379 4.320 -0.000 0.000 0.204 170 K C 1.883 178.425 176.600 -0.096 0.000 1.052 170 K CA 1.054 57.304 56.287 -0.061 0.000 0.945 170 K CB -0.319 32.152 32.500 -0.048 0.000 0.722 170 K HN 0.459 nan 8.250 nan 0.000 0.443 171 L N 0.647 121.788 121.223 -0.137 0.000 2.017 171 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 171 L C 2.429 179.162 176.870 -0.228 0.000 1.073 171 L CA 1.372 56.070 54.840 -0.237 0.000 0.745 171 L CB -0.741 41.088 42.059 -0.384 0.000 0.894 171 L HN 0.199 nan 8.230 nan 0.000 0.432 172 T N -1.111 113.332 114.554 -0.185 0.000 2.708 172 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 172 T C 1.777 176.405 174.700 -0.120 0.000 1.037 172 T CA 1.637 63.628 62.100 -0.181 0.000 1.146 172 T CB -0.174 68.594 68.868 -0.166 0.000 0.865 172 T HN 0.226 nan 8.240 nan 0.000 0.435 173 E N 1.338 121.491 120.200 -0.078 0.000 2.204 173 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 173 E C 1.632 178.200 176.600 -0.054 0.000 0.990 173 E CA 0.945 57.317 56.400 -0.046 0.000 0.821 173 E CB -0.294 29.384 29.700 -0.037 0.000 0.750 173 E HN 0.310 nan 8.360 nan 0.000 0.477 174 D N -1.225 119.127 120.400 -0.081 0.000 2.328 174 D HA 0.073 4.713 4.640 -0.000 0.000 0.226 174 D C 0.514 176.771 176.300 -0.072 0.000 1.066 174 D CA 0.819 54.775 54.000 -0.073 0.000 0.861 174 D CB 0.265 41.012 40.800 -0.089 0.000 0.912 174 D HN 0.363 nan 8.370 nan 0.000 0.521 175 G N 0.931 109.675 108.800 -0.093 0.000 2.132 175 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.228 175 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.228 175 G C 0.305 175.137 174.900 -0.114 0.000 1.000 175 G CA -0.226 44.820 45.100 -0.089 0.000 0.693 175 G HN 0.344 nan 8.290 nan 0.000 0.515 176 L N 0.788 121.902 121.223 -0.182 0.000 2.556 176 L HA 0.322 4.662 4.340 -0.000 0.000 0.243 176 L C -2.281 174.498 176.870 -0.152 0.000 1.331 176 L CA -1.999 52.745 54.840 -0.160 0.000 0.927 176 L CB 1.572 43.354 42.059 -0.462 0.000 1.219 176 L HN -0.101 nan 8.230 nan 0.000 0.490 177 P HA 0.086 nan 4.420 nan 0.000 0.270 177 P C -0.870 176.506 177.300 0.126 0.000 1.223 177 P CA -0.246 62.730 63.100 -0.207 0.000 0.785 177 P CB 0.828 32.180 31.700 -0.581 0.000 0.923 178 L N 1.420 122.639 121.223 -0.006 0.000 2.362 178 L HA 0.779 5.119 4.340 -0.000 0.000 0.275 178 L C -0.245 176.446 176.870 -0.298 0.000 0.998 178 L CA -0.150 54.680 54.840 -0.017 0.000 0.820 178 L CB 1.342 43.402 42.059 0.002 0.000 1.270 178 L HN 0.466 nan 8.230 nan 0.000 0.415 179 G N 3.697 112.190 108.800 -0.510 0.000 2.453 179 G HA2 0.651 4.611 3.960 -0.000 0.000 0.323 179 G HA3 0.651 4.611 3.960 -0.000 0.000 0.323 179 G C -1.740 172.853 174.900 -0.512 0.000 1.198 179 G CA -0.573 43.798 45.100 -1.215 0.000 0.959 179 G HN 0.500 nan 8.290 nan 0.000 0.482 180 V N 2.210 121.905 119.914 -0.365 0.000 2.483 180 V HA 0.356 4.476 4.120 -0.000 0.000 0.297 180 V C -0.506 175.552 176.094 -0.060 0.000 1.027 180 V CA -1.250 60.956 62.300 -0.157 0.000 0.855 180 V CB 1.662 33.421 31.823 -0.107 0.000 0.995 180 V HN 0.739 nan 8.190 nan 0.000 0.424 181 N N 5.042 123.721 118.700 -0.036 0.000 2.426 181 N HA 0.469 5.209 4.740 -0.000 0.000 0.275 181 N C -1.075 174.423 175.510 -0.020 0.000 1.019 181 N CA -0.288 52.773 53.050 0.019 0.000 0.941 181 N CB 1.292 39.797 38.487 0.030 0.000 1.123 181 N HN 0.606 nan 8.380 nan 0.000 0.486 182 L N 2.219 123.462 121.223 0.033 0.000 2.295 182 L HA 0.617 4.957 4.340 -0.000 0.000 0.285 182 L C 1.138 177.988 176.870 -0.033 0.000 1.035 182 L CA -0.784 54.055 54.840 -0.001 0.000 0.806 182 L CB 1.738 43.869 42.059 0.121 0.000 1.214 182 L HN 0.495 nan 8.230 nan 0.000 0.426 183 G N 2.079 110.662 108.800 -0.363 0.000 3.108 183 G HA2 0.714 4.674 3.960 -0.000 0.000 0.268 183 G HA3 0.714 4.674 3.960 -0.000 0.000 0.268 183 G C -1.494 173.002 174.900 -0.673 0.000 1.361 183 G CA -0.555 44.153 45.100 -0.654 0.000 1.047 183 G HN 0.619 nan 8.290 nan 0.000 0.540 184 K N -0.919 119.198 120.400 -0.471 0.000 2.477 184 K HA 0.456 4.776 4.320 -0.000 0.000 0.255 184 K C -0.895 175.671 176.600 -0.055 0.000 0.952 184 K CA -0.862 55.231 56.287 -0.323 0.000 0.826 184 K CB 1.914 34.228 32.500 -0.310 0.000 1.331 184 K HN 0.393 nan 8.250 nan 0.000 0.437 185 N N 1.462 120.129 118.700 -0.056 0.000 2.479 185 N HA -0.024 4.716 4.740 -0.000 0.000 0.257 185 N C 0.566 176.118 175.510 0.070 0.000 1.232 185 N CA -0.172 52.892 53.050 0.022 0.000 0.920 185 N CB 1.048 39.532 38.487 -0.005 0.000 1.105 185 N HN 0.677 nan 8.380 nan 0.000 0.444 186 K N 0.448 120.903 120.400 0.092 0.000 2.063 186 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 186 K C 1.214 177.845 176.600 0.052 0.000 1.048 186 K CA 1.597 57.932 56.287 0.080 0.000 0.928 186 K CB -0.095 32.449 32.500 0.073 0.000 0.713 186 K HN 0.767 nan 8.250 nan 0.000 0.442 187 T N -1.524 113.054 114.554 0.039 0.000 3.188 187 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 187 T C 0.610 175.323 174.700 0.022 0.000 1.077 187 T CA -0.300 61.817 62.100 0.028 0.000 0.967 187 T CB 0.216 69.097 68.868 0.022 0.000 1.006 187 T HN 0.082 nan 8.240 nan 0.000 0.552 188 S N -0.012 115.701 115.700 0.022 0.000 2.568 188 S HA 0.234 4.704 4.470 -0.000 0.000 0.282 188 S C 1.150 175.763 174.600 0.022 0.000 1.338 188 S CA -0.588 57.620 58.200 0.013 0.000 1.045 188 S CB 0.792 63.992 63.200 -0.000 0.000 0.873 188 S HN 0.221 nan 8.310 nan 0.000 0.516 189 V N 2.496 122.421 119.914 0.019 0.000 3.085 189 V HA 0.203 4.323 4.120 -0.000 0.000 0.245 189 V C 0.630 176.743 176.094 0.031 0.000 1.114 189 V CA 0.670 62.985 62.300 0.024 0.000 1.108 189 V CB 0.039 31.873 31.823 0.019 0.000 0.798 189 V HN 0.837 nan 8.190 nan 0.000 0.471 190 D N 0.271 120.689 120.400 0.029 0.000 2.477 190 D HA 0.456 5.096 4.640 -0.000 0.000 0.239 190 D C 1.049 177.382 176.300 0.055 0.000 1.102 190 D CA 0.437 54.461 54.000 0.040 0.000 0.901 190 D CB 1.611 42.430 40.800 0.032 0.000 1.026 190 D HN 0.133 nan 8.370 nan 0.000 0.515 191 A N 3.426 126.297 122.820 0.085 0.000 1.917 191 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 191 A C 2.135 179.857 177.584 0.229 0.000 1.182 191 A CA 2.113 54.236 52.037 0.143 0.000 0.633 191 A CB -0.451 18.670 19.000 0.202 0.000 0.819 191 A HN 0.585 nan 8.150 nan 0.000 0.448 192 A N -0.505 122.429 122.820 0.189 0.000 1.902 192 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 192 A C 1.982 179.660 177.584 0.156 0.000 1.181 192 A CA 2.225 54.379 52.037 0.194 0.000 0.623 192 A CB -0.499 18.564 19.000 0.105 0.000 0.818 192 A HN 0.560 nan 8.150 nan 0.000 0.443 193 E N 0.487 120.738 120.200 0.086 0.000 2.110 193 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 193 E C 1.370 177.981 176.600 0.017 0.000 0.988 193 E CA 1.640 58.068 56.400 0.047 0.000 0.804 193 E CB -0.365 29.350 29.700 0.026 0.000 0.745 193 E HN 0.537 nan 8.360 nan 0.000 0.458 194 D N -0.917 119.467 120.400 -0.026 0.000 2.104 194 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 194 D C 1.626 177.814 176.300 -0.188 0.000 0.994 194 D CA 1.313 55.224 54.000 -0.149 0.000 0.830 194 D CB -0.348 40.289 40.800 -0.272 0.000 0.959 194 D HN 0.353 nan 8.370 nan 0.000 0.452 195 Y N 0.653 120.951 120.300 -0.003 0.000 2.242 195 Y HA -0.029 4.521 4.550 -0.000 0.000 0.291 195 Y C 2.408 178.306 175.900 -0.003 0.000 1.137 195 Y CA 0.888 58.984 58.100 -0.006 0.000 1.181 195 Y CB -0.399 38.065 38.460 0.007 0.000 0.989 195 Y HN -0.074 nan 8.280 nan 0.000 0.527 196 A N 0.465 123.371 122.820 0.143 0.000 1.908 196 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 196 A C 2.030 179.638 177.584 0.040 0.000 1.181 196 A CA 1.988 54.074 52.037 0.082 0.000 0.627 196 A CB -0.588 18.450 19.000 0.063 0.000 0.818 196 A HN 0.531 nan 8.150 nan 0.000 0.445 197 E N -0.778 119.430 120.200 0.013 0.000 2.077 197 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 197 E C 2.170 178.758 176.600 -0.019 0.000 0.989 197 E CA 0.760 57.153 56.400 -0.012 0.000 0.800 197 E CB -0.396 29.284 29.700 -0.033 0.000 0.746 197 E HN 0.614 nan 8.360 nan 0.000 0.452 198 G N 1.166 109.953 108.800 -0.023 0.000 2.418 198 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 198 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 198 G C 1.766 176.669 174.900 0.005 0.000 1.158 198 G CA 0.678 45.764 45.100 -0.024 0.000 0.771 198 G HN 0.115 nan 8.290 nan 0.000 0.545 199 V N 0.567 120.502 119.914 0.035 0.000 2.343 199 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 199 V C 2.940 179.046 176.094 0.021 0.000 1.051 199 V CA 1.984 64.309 62.300 0.041 0.000 1.036 199 V CB -0.423 31.435 31.823 0.057 0.000 0.654 199 V HN 0.325 nan 8.190 nan 0.000 0.451 200 R N -0.674 119.832 120.500 0.010 0.000 2.090 200 R HA -0.066 4.274 4.340 -0.000 0.000 0.228 200 R C 2.160 178.447 176.300 -0.022 0.000 1.110 200 R CA 1.288 57.386 56.100 -0.003 0.000 0.973 200 R CB -0.306 29.990 30.300 -0.006 0.000 0.869 200 R HN 0.424 nan 8.270 nan 0.000 0.440 201 V N 0.706 120.602 119.914 -0.031 0.000 2.446 201 V HA -0.078 4.042 4.120 -0.000 0.000 0.244 201 V C 1.987 178.048 176.094 -0.055 0.000 1.039 201 V CA 1.309 63.577 62.300 -0.054 0.000 1.045 201 V CB -0.096 31.687 31.823 -0.066 0.000 0.681 201 V HN 0.252 nan 8.190 nan 0.000 0.459 202 L N -0.165 121.035 121.223 -0.038 0.000 2.609 202 L HA 0.274 4.614 4.340 -0.000 0.000 0.230 202 L C 2.480 179.345 176.870 -0.009 0.000 1.087 202 L CA 0.848 55.667 54.840 -0.033 0.000 0.874 202 L CB -0.661 41.373 42.059 -0.041 0.000 1.114 202 L HN 0.424 nan 8.230 nan 0.000 0.488 203 G N 1.896 110.700 108.800 0.008 0.000 2.469 203 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 203 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 203 G C -0.910 174.025 174.900 0.058 0.000 1.136 203 G CA 0.690 45.811 45.100 0.035 0.000 0.759 203 G HN 0.309 nan 8.290 nan 0.000 0.562 204 P HA 0.097 nan 4.420 nan 0.000 0.233 204 P C 1.253 178.659 177.300 0.177 0.000 1.167 204 P CA 0.630 63.800 63.100 0.117 0.000 0.770 204 P CB 0.071 31.747 31.700 -0.041 0.000 0.837 205 L N -2.701 118.567 121.223 0.074 0.000 2.728 205 L HA 0.374 4.714 4.340 -0.000 0.000 0.238 205 L C 0.806 177.685 176.870 0.015 0.000 1.143 205 L CA -0.385 54.488 54.840 0.054 0.000 0.937 205 L CB 0.165 42.232 42.059 0.012 0.000 1.225 205 L HN -0.160 nan 8.230 nan 0.000 0.507 206 A N -1.008 121.817 122.820 0.009 0.000 2.380 206 A HA 0.433 4.753 4.320 -0.000 0.000 0.315 206 A C 0.016 177.587 177.584 -0.022 0.000 1.101 206 A CA -0.523 51.488 52.037 -0.044 0.000 0.771 206 A CB 1.082 20.033 19.000 -0.082 0.000 1.287 206 A HN 0.015 nan 8.150 nan 0.000 0.436 207 D N -0.589 119.757 120.400 -0.090 0.000 2.213 207 D HA 0.083 4.723 4.640 -0.000 0.000 0.205 207 D C -0.242 176.169 176.300 0.184 0.000 0.961 207 D CA 2.039 56.004 54.000 -0.058 0.000 0.853 207 D CB 0.094 40.634 40.800 -0.433 0.000 0.967 207 D HN 0.631 nan 8.370 nan 0.000 0.496 208 Y N -1.335 119.003 120.300 0.064 0.000 2.544 208 Y HA 0.562 5.111 4.550 -0.000 0.000 0.342 208 Y C -1.579 174.368 175.900 0.078 0.000 1.062 208 Y CA -1.258 56.899 58.100 0.095 0.000 1.023 208 Y CB 0.848 39.381 38.460 0.121 0.000 1.308 208 Y HN -0.349 nan 8.280 nan 0.000 0.457 209 L N 3.876 125.260 121.223 0.267 0.000 2.331 209 L HA 0.782 5.122 4.340 -0.000 0.000 0.275 209 L C -0.956 176.068 176.870 0.257 0.000 1.022 209 L CA -1.516 53.425 54.840 0.168 0.000 0.812 209 L CB 2.094 44.221 42.059 0.113 0.000 1.257 209 L HN 0.622 nan 8.230 nan 0.000 0.435 210 V N 3.012 123.046 119.914 0.200 0.000 2.407 210 V HA 0.249 4.369 4.120 -0.000 0.000 0.291 210 V C -0.044 176.132 176.094 0.136 0.000 1.018 210 V CA -0.689 61.726 62.300 0.193 0.000 0.842 210 V CB 1.896 33.854 31.823 0.226 0.000 0.996 210 V HN 0.393 nan 8.190 nan 0.000 0.426 211 V N 4.690 124.653 119.914 0.081 0.000 2.338 211 V HA 0.184 4.304 4.120 -0.000 0.000 0.255 211 V C 0.561 176.673 176.094 0.030 0.000 1.082 211 V CA -0.285 62.015 62.300 0.000 0.000 0.951 211 V CB 0.615 32.336 31.823 -0.170 0.000 1.102 211 V HN 0.866 nan 8.190 nan 0.000 0.489 212 N N 4.630 123.432 118.700 0.170 0.000 2.402 212 N HA 0.111 4.851 4.740 -0.000 0.000 0.252 212 N C -0.077 175.579 175.510 0.242 0.000 1.118 212 N CA 0.164 53.338 53.050 0.207 0.000 0.945 212 N CB 1.590 40.234 38.487 0.261 0.000 1.147 212 N HN 0.361 nan 8.380 nan 0.000 0.495 213 V N 2.754 122.746 119.914 0.131 0.000 3.166 213 V HA 0.168 4.288 4.120 -0.000 0.000 0.332 213 V C 0.686 176.845 176.094 0.107 0.000 1.434 213 V CA 0.438 62.807 62.300 0.115 0.000 1.121 213 V CB -0.477 31.340 31.823 -0.009 0.000 1.062 213 V HN 0.756 nan 8.190 nan 0.000 0.489 214 S N -1.463 114.310 115.700 0.123 0.000 2.650 214 S HA 0.248 4.718 4.470 -0.000 0.000 0.240 214 S C 0.718 175.364 174.600 0.076 0.000 1.007 214 S CA 0.184 58.435 58.200 0.085 0.000 0.984 214 S CB 0.431 63.674 63.200 0.072 0.000 0.910 214 S HN 0.411 nan 8.310 nan 0.000 0.509 215 S N 3.895 119.651 115.700 0.093 0.000 2.510 215 S HA 0.288 4.758 4.470 -0.000 0.000 0.279 215 S C -1.360 173.204 174.600 -0.061 0.000 1.284 215 S CA -1.082 57.110 58.200 -0.012 0.000 1.059 215 S CB 0.870 63.954 63.200 -0.193 0.000 0.901 215 S HN 0.310 nan 8.310 nan 0.000 0.491 216 P HA 0.126 nan 4.420 nan 0.000 0.255 216 P C -0.069 177.183 177.300 -0.080 0.000 1.248 216 P CA 0.214 63.284 63.100 -0.049 0.000 0.807 216 P CB 0.125 31.810 31.700 -0.025 0.000 1.150 217 N N -0.197 118.414 118.700 -0.148 0.000 2.251 217 N HA 0.080 4.820 4.740 -0.000 0.000 0.217 217 N C -0.211 175.179 175.510 -0.199 0.000 1.124 217 N CA 0.380 53.336 53.050 -0.156 0.000 0.843 217 N CB 0.599 38.997 38.487 -0.148 0.000 1.024 217 N HN 0.020 nan 8.380 nan 0.000 0.501 218 T N 0.569 115.005 114.554 -0.197 0.000 2.890 218 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 218 T C -0.162 174.514 174.700 -0.041 0.000 0.993 218 T CA -0.634 61.386 62.100 -0.134 0.000 0.979 218 T CB 1.997 70.759 68.868 -0.177 0.000 0.967 218 T HN 0.152 nan 8.240 nan 0.000 0.441 219 A N 2.042 124.854 122.820 -0.013 0.000 2.573 219 A HA 0.465 4.785 4.320 -0.000 0.000 0.250 219 A C 1.651 179.250 177.584 0.025 0.000 1.049 219 A CA 0.778 52.818 52.037 0.005 0.000 0.767 219 A CB -0.869 18.137 19.000 0.010 0.000 0.965 219 A HN 1.785 nan 8.150 nan 0.000 0.514 220 G N 1.369 110.184 108.800 0.025 0.000 2.189 220 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.267 220 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.267 220 G C 0.794 175.729 174.900 0.058 0.000 0.975 220 G CA 0.820 45.942 45.100 0.038 0.000 0.644 220 G HN 1.364 nan 8.290 nan 0.000 0.537 221 L N 0.247 121.510 121.223 0.067 0.000 2.027 221 L HA 0.208 4.548 4.340 -0.000 0.000 0.206 221 L C 2.796 179.720 176.870 0.090 0.000 1.074 221 L CA 2.619 57.526 54.840 0.111 0.000 0.745 221 L CB -0.386 41.754 42.059 0.135 0.000 0.898 221 L HN 0.346 nan 8.230 nan 0.000 0.433 222 R N -0.744 119.790 120.500 0.058 0.000 2.193 222 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 222 R C 2.313 178.635 176.300 0.036 0.000 1.110 222 R CA 1.147 57.274 56.100 0.045 0.000 0.988 222 R CB -0.474 29.844 30.300 0.029 0.000 0.871 222 R HN 0.626 nan 8.270 nan 0.000 0.458 223 S N 0.681 116.403 115.700 0.037 0.000 2.474 223 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 223 S C 1.802 176.419 174.600 0.030 0.000 0.997 223 S CA 0.698 58.916 58.200 0.030 0.000 0.949 223 S CB -0.235 62.983 63.200 0.030 0.000 0.766 223 S HN 0.270 nan 8.310 nan 0.000 0.517 224 L N 0.662 121.909 121.223 0.039 0.000 2.551 224 L HA 0.037 4.377 4.340 -0.000 0.000 0.228 224 L C 2.455 179.328 176.870 0.005 0.000 1.153 224 L CA 0.646 55.502 54.840 0.027 0.000 0.851 224 L CB -0.542 41.541 42.059 0.041 0.000 0.959 224 L HN 0.432 nan 8.230 nan 0.000 0.451 225 Q N 0.150 119.957 119.800 0.011 0.000 2.451 225 Q HA 0.075 4.415 4.340 -0.000 0.000 0.206 225 Q C 1.249 177.251 176.000 0.003 0.000 0.947 225 Q CA 0.100 55.906 55.803 0.004 0.000 0.937 225 Q CB 0.065 28.811 28.738 0.012 0.000 1.025 225 Q HN 0.480 nan 8.270 nan 0.000 0.511 226 G N 1.094 109.898 108.800 0.007 0.000 2.491 226 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.238 226 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.238 226 G C 0.393 175.294 174.900 0.002 0.000 1.277 226 G CA -0.317 44.787 45.100 0.006 0.000 0.851 226 G HN 0.113 nan 8.290 nan 0.000 0.573 227 K N 1.404 121.805 120.400 0.001 0.000 2.001 227 K HA -0.193 4.127 4.320 -0.000 0.000 0.214 227 K C 2.774 179.373 176.600 -0.001 0.000 1.050 227 K CA 1.945 58.231 56.287 -0.001 0.000 0.934 227 K CB -0.284 32.216 32.500 -0.000 0.000 0.718 227 K HN 0.518 nan 8.250 nan 0.000 0.443 228 A N 0.876 123.697 122.820 0.002 0.000 1.877 228 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 228 A C 2.006 179.593 177.584 0.004 0.000 1.186 228 A CA 1.860 53.899 52.037 0.003 0.000 0.620 228 A CB -0.628 18.376 19.000 0.006 0.000 0.822 228 A HN 0.515 nan 8.150 nan 0.000 0.443 229 E N -0.948 119.256 120.200 0.006 0.000 2.077 229 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 229 E C 1.939 178.538 176.600 -0.002 0.000 0.989 229 E CA 1.246 57.651 56.400 0.008 0.000 0.800 229 E CB -0.193 29.516 29.700 0.014 0.000 0.746 229 E HN 0.470 nan 8.360 nan 0.000 0.452 230 L N 1.190 122.407 121.223 -0.010 0.000 2.046 230 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 230 L C 2.333 179.188 176.870 -0.024 0.000 1.077 230 L CA 1.717 56.542 54.840 -0.025 0.000 0.747 230 L CB -0.324 41.721 42.059 -0.022 0.000 0.896 230 L HN -0.040 nan 8.230 nan 0.000 0.432 231 R N -0.623 119.869 120.500 -0.013 0.000 2.073 231 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 231 R C 2.574 178.870 176.300 -0.007 0.000 1.134 231 R CA 1.707 57.801 56.100 -0.010 0.000 0.952 231 R CB -0.296 30.001 30.300 -0.006 0.000 0.850 231 R HN 0.367 nan 8.270 nan 0.000 0.433 232 R N 0.384 120.882 120.500 -0.002 0.000 2.092 232 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 232 R C 2.330 178.632 176.300 0.004 0.000 1.119 232 R CA 1.410 57.513 56.100 0.005 0.000 0.970 232 R CB -0.326 29.981 30.300 0.011 0.000 0.864 232 R HN 0.266 nan 8.270 nan 0.000 0.440 233 L N 1.068 122.288 121.223 -0.006 0.000 1.994 233 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 233 L C 1.974 178.825 176.870 -0.032 0.000 1.071 233 L CA 1.722 56.551 54.840 -0.019 0.000 0.745 233 L CB -0.429 41.593 42.059 -0.062 0.000 0.892 233 L HN 0.226 nan 8.230 nan 0.000 0.431 234 L N -1.176 120.022 121.223 -0.042 0.000 2.201 234 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 234 L C 2.307 179.170 176.870 -0.012 0.000 1.105 234 L CA 1.301 56.120 54.840 -0.035 0.000 0.775 234 L CB -1.002 41.035 42.059 -0.036 0.000 0.913 234 L HN 0.295 nan 8.230 nan 0.000 0.440 235 T N -0.432 114.119 114.554 -0.005 0.000 2.777 235 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 235 T C 1.966 176.672 174.700 0.010 0.000 1.040 235 T CA 1.435 63.536 62.100 0.002 0.000 1.141 235 T CB -0.019 68.851 68.868 0.004 0.000 0.868 235 T HN 0.244 nan 8.240 nan 0.000 0.444 236 K N 0.623 121.032 120.400 0.014 0.000 2.057 236 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 236 K C 2.211 178.829 176.600 0.030 0.000 1.050 236 K CA 0.831 57.133 56.287 0.024 0.000 0.935 236 K CB -0.248 32.272 32.500 0.034 0.000 0.715 236 K HN 0.096 nan 8.250 nan 0.000 0.439 237 V N 1.806 121.737 119.914 0.028 0.000 2.287 237 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 237 V C 2.300 178.413 176.094 0.032 0.000 1.053 237 V CA 1.716 64.038 62.300 0.037 0.000 1.027 237 V CB -0.355 31.479 31.823 0.018 0.000 0.646 237 V HN 0.341 nan 8.190 nan 0.000 0.447 238 L N -0.471 120.764 121.223 0.021 0.000 2.131 238 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 238 L C 2.614 179.498 176.870 0.023 0.000 1.092 238 L CA 1.794 56.647 54.840 0.022 0.000 0.759 238 L CB -0.538 41.529 42.059 0.013 0.000 0.903 238 L HN 0.439 nan 8.230 nan 0.000 0.435 239 Q N -0.045 119.768 119.800 0.021 0.000 2.046 239 Q HA -0.207 4.133 4.340 -0.000 0.000 0.200 239 Q C 2.084 178.098 176.000 0.024 0.000 0.975 239 Q CA 1.289 57.104 55.803 0.020 0.000 0.836 239 Q CB 0.166 28.914 28.738 0.018 0.000 0.896 239 Q HN 0.404 nan 8.270 nan 0.000 0.428 240 E N 0.410 120.626 120.200 0.028 0.000 2.110 240 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 240 E C 2.007 178.626 176.600 0.032 0.000 0.988 240 E CA 0.692 57.110 56.400 0.029 0.000 0.804 240 E CB -0.258 29.463 29.700 0.035 0.000 0.745 240 E HN 0.255 nan 8.360 nan 0.000 0.458 241 R N 1.428 121.950 120.500 0.037 0.000 2.073 241 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 241 R C 1.267 177.591 176.300 0.040 0.000 1.134 241 R CA 1.373 57.498 56.100 0.043 0.000 0.952 241 R CB -0.333 29.996 30.300 0.047 0.000 0.850 241 R HN 0.076 nan 8.270 nan 0.000 0.433 242 D N -0.676 119.743 120.400 0.032 0.000 2.264 242 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 242 D C 1.472 177.788 176.300 0.027 0.000 0.966 242 D CA 1.267 55.284 54.000 0.028 0.000 0.864 242 D CB -0.330 40.483 40.800 0.021 0.000 0.933 242 D HN 0.477 nan 8.370 nan 0.000 0.499 243 G N -0.035 108.781 108.800 0.027 0.000 2.920 243 G HA2 0.082 4.042 3.960 -0.000 0.000 0.208 243 G HA3 0.082 4.042 3.960 -0.000 0.000 0.208 243 G C 0.724 175.640 174.900 0.028 0.000 1.159 243 G CA -0.129 44.986 45.100 0.024 0.000 0.784 243 G HN 0.175 nan 8.290 nan 0.000 0.535 244 L N 0.298 121.544 121.223 0.038 0.000 2.399 244 L HA 0.407 4.746 4.340 -0.000 0.000 0.266 244 L C 0.657 177.566 176.870 0.066 0.000 1.114 244 L CA -1.013 53.858 54.840 0.051 0.000 0.804 244 L CB 1.021 43.120 42.059 0.067 0.000 1.146 244 L HN 0.010 nan 8.230 nan 0.000 0.451 245 R N 1.308 121.861 120.500 0.088 0.000 2.623 245 R HA 0.040 4.380 4.340 -0.000 0.000 0.271 245 R C 1.120 177.482 176.300 0.102 0.000 1.043 245 R CA -0.511 55.650 56.100 0.101 0.000 1.083 245 R CB 0.468 30.853 30.300 0.142 0.000 0.974 245 R HN 0.494 nan 8.270 nan 0.000 0.436 246 R N 1.312 121.846 120.500 0.057 0.000 2.191 246 R HA -0.226 4.114 4.340 -0.000 0.000 0.248 246 R C 1.948 178.246 176.300 -0.004 0.000 1.127 246 R CA 2.310 58.425 56.100 0.025 0.000 0.943 246 R CB -1.353 28.952 30.300 0.010 0.000 0.891 246 R HN 0.664 nan 8.270 nan 0.000 0.439 247 V N -1.555 118.327 119.914 -0.053 0.000 3.078 247 V HA -0.082 4.038 4.120 -0.000 0.000 0.265 247 V C 1.371 177.273 176.094 -0.319 0.000 1.122 247 V CA 1.553 63.741 62.300 -0.187 0.000 1.141 247 V CB -0.660 31.004 31.823 -0.266 0.000 0.735 247 V HN 0.275 nan 8.190 nan 0.000 0.498 248 H N 0.523 119.609 119.070 0.027 0.000 2.486 248 H HA 0.425 4.981 4.556 -0.000 0.000 0.284 248 H C 0.411 175.759 175.328 0.033 0.000 1.103 248 H CA -0.243 55.821 56.048 0.027 0.000 1.089 248 H CB 0.422 30.194 29.762 0.016 0.000 1.603 248 H HN 0.426 nan 8.280 nan 0.000 0.557 249 R N 3.183 123.742 120.500 0.098 0.000 2.215 249 R HA 0.200 4.540 4.340 -0.000 0.000 0.337 249 R C -2.512 173.844 176.300 0.092 0.000 1.010 249 R CA -1.459 54.693 56.100 0.086 0.000 0.871 249 R CB 0.890 31.226 30.300 0.060 0.000 1.134 249 R HN 0.100 nan 8.270 nan 0.000 0.477 250 P HA 0.204 nan 4.420 nan 0.000 0.278 250 P C -0.990 176.394 177.300 0.140 0.000 1.258 250 P CA -0.486 62.698 63.100 0.140 0.000 0.811 250 P CB 1.345 33.119 31.700 0.123 0.000 1.063 251 A N 1.334 124.269 122.820 0.192 0.000 2.351 251 A HA 0.436 4.756 4.320 -0.000 0.000 0.257 251 A C -0.205 177.475 177.584 0.159 0.000 1.087 251 A CA -0.406 51.723 52.037 0.155 0.000 0.798 251 A CB 0.125 19.229 19.000 0.174 0.000 1.033 251 A HN 0.359 nan 8.150 nan 0.000 0.488 252 V N 3.005 122.980 119.914 0.102 0.000 2.409 252 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 252 V C -0.611 175.520 176.094 0.062 0.000 1.020 252 V CA -0.189 62.166 62.300 0.093 0.000 0.848 252 V CB 0.871 32.730 31.823 0.060 0.000 0.990 252 V HN 0.729 nan 8.190 nan 0.000 0.430 253 L N 5.164 126.434 121.223 0.078 0.000 2.303 253 L HA 0.732 5.072 4.340 -0.000 0.000 0.266 253 L C -0.301 176.591 176.870 0.038 0.000 1.011 253 L CA -0.616 54.243 54.840 0.032 0.000 0.818 253 L CB 2.127 44.182 42.059 -0.007 0.000 1.326 253 L HN 0.335 nan 8.230 nan 0.000 0.435 254 V N 0.969 120.892 119.914 0.015 0.000 2.487 254 V HA 0.427 4.547 4.120 -0.000 0.000 0.298 254 V C -0.311 175.799 176.094 0.026 0.000 1.028 254 V CA -0.908 61.397 62.300 0.008 0.000 0.860 254 V CB 1.713 33.527 31.823 -0.015 0.000 0.991 254 V HN 0.630 nan 8.190 nan 0.000 0.427 255 K N 5.915 126.343 120.400 0.047 0.000 2.234 255 K HA 0.637 4.957 4.320 -0.000 0.000 0.277 255 K C -0.433 176.201 176.600 0.055 0.000 1.038 255 K CA -0.450 55.876 56.287 0.064 0.000 0.888 255 K CB 0.870 33.429 32.500 0.099 0.000 1.091 255 K HN 0.780 nan 8.250 nan 0.000 0.467 256 I N 0.567 121.165 120.570 0.046 0.000 2.822 256 I HA 0.680 4.850 4.170 -0.000 0.000 0.312 256 I C -0.190 175.954 176.117 0.045 0.000 1.011 256 I CA -1.133 60.191 61.300 0.040 0.000 1.105 256 I CB 1.879 39.896 38.000 0.028 0.000 1.291 256 I HN 0.582 nan 8.210 nan 0.000 0.474 257 A N 3.336 126.180 122.820 0.039 0.000 2.272 257 A HA 0.646 4.966 4.320 -0.000 0.000 0.275 257 A C -1.961 175.642 177.584 0.031 0.000 1.096 257 A CA -1.396 50.663 52.037 0.036 0.000 0.822 257 A CB -0.169 18.849 19.000 0.030 0.000 1.088 257 A HN 0.767 nan 8.150 nan 0.000 0.495 258 P HA 0.141 nan 4.420 nan 0.000 0.267 258 P C -0.520 176.792 177.300 0.020 0.000 1.289 258 P CA 0.371 63.486 63.100 0.025 0.000 0.866 258 P CB 0.485 32.200 31.700 0.026 0.000 1.309 259 D N 0.186 120.597 120.400 0.018 0.000 2.463 259 D HA 0.184 4.824 4.640 -0.000 0.000 0.224 259 D C 0.655 176.963 176.300 0.013 0.000 1.174 259 D CA -0.065 53.944 54.000 0.014 0.000 0.829 259 D CB 0.603 41.409 40.800 0.010 0.000 0.993 259 D HN 0.231 nan 8.370 nan 0.000 0.497 260 L N 1.330 122.562 121.223 0.016 0.000 2.417 260 L HA 0.171 4.511 4.340 -0.000 0.000 0.268 260 L C 1.432 178.310 176.870 0.013 0.000 1.158 260 L CA -0.291 54.558 54.840 0.015 0.000 0.819 260 L CB 0.760 42.830 42.059 0.017 0.000 1.112 260 L HN -0.026 nan 8.230 nan 0.000 0.458 261 T N -1.523 113.038 114.554 0.012 0.000 2.788 261 T HA 0.097 4.447 4.350 -0.000 0.000 0.287 261 T C 1.164 175.872 174.700 0.012 0.000 1.007 261 T CA -0.640 61.467 62.100 0.010 0.000 1.005 261 T CB 1.144 70.017 68.868 0.009 0.000 1.012 261 T HN 0.553 nan 8.240 nan 0.000 0.530 262 S N 0.140 115.847 115.700 0.011 0.000 2.419 262 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 262 S C 2.038 176.645 174.600 0.011 0.000 1.016 262 S CA 1.309 59.516 58.200 0.013 0.000 0.974 262 S CB -0.518 62.690 63.200 0.012 0.000 0.786 262 S HN 0.842 nan 8.310 nan 0.000 0.492 263 Q N 1.742 121.547 119.800 0.009 0.000 2.079 263 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 263 Q C 1.333 177.337 176.000 0.007 0.000 0.974 263 Q CA 1.643 57.451 55.803 0.007 0.000 0.840 263 Q CB -0.303 28.438 28.738 0.006 0.000 0.898 263 Q HN 0.345 nan 8.270 nan 0.000 0.430 264 D N 0.158 120.563 120.400 0.008 0.000 2.117 264 D HA -0.153 4.486 4.640 -0.000 0.000 0.197 264 D C 1.647 177.952 176.300 0.008 0.000 0.987 264 D CA 1.297 55.302 54.000 0.008 0.000 0.829 264 D CB -0.060 40.746 40.800 0.010 0.000 0.961 264 D HN 0.351 nan 8.370 nan 0.000 0.460 265 K N 0.710 121.116 120.400 0.011 0.000 2.057 265 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 265 K C 2.151 178.755 176.600 0.007 0.000 1.049 265 K CA 0.923 57.217 56.287 0.012 0.000 0.931 265 K CB -0.034 32.476 32.500 0.018 0.000 0.714 265 K HN 0.219 nan 8.250 nan 0.000 0.440 266 E N 0.868 121.072 120.200 0.007 0.000 2.051 266 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 266 E C 1.671 178.271 176.600 -0.001 0.000 0.991 266 E CA 1.301 57.703 56.400 0.003 0.000 0.799 266 E CB -0.038 29.664 29.700 0.004 0.000 0.748 266 E HN 0.273 nan 8.360 nan 0.000 0.449 267 D N 0.717 121.117 120.400 0.000 0.000 2.097 267 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 267 D C 2.039 178.336 176.300 -0.005 0.000 0.989 267 D CA 0.845 54.844 54.000 -0.002 0.000 0.827 267 D CB -0.231 40.569 40.800 -0.000 0.000 0.966 267 D HN 0.179 nan 8.370 nan 0.000 0.456 268 I N 1.197 121.766 120.570 -0.003 0.000 2.208 268 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 268 I C 2.452 178.563 176.117 -0.010 0.000 1.097 268 I CA 1.039 62.335 61.300 -0.006 0.000 1.363 268 I CB -0.213 37.786 38.000 -0.002 0.000 1.051 268 I HN -0.072 nan 8.210 nan 0.000 0.413 269 A N -0.299 122.515 122.820 -0.010 0.000 1.933 269 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 269 A C 2.490 180.061 177.584 -0.020 0.000 1.175 269 A CA 2.167 54.194 52.037 -0.017 0.000 0.628 269 A CB -0.711 18.279 19.000 -0.017 0.000 0.814 269 A HN 0.416 nan 8.150 nan 0.000 0.444 270 S N -0.624 115.067 115.700 -0.015 0.000 2.355 270 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 270 S C 1.920 176.511 174.600 -0.015 0.000 1.031 270 S CA 1.638 59.828 58.200 -0.015 0.000 0.993 270 S CB -0.501 62.693 63.200 -0.011 0.000 0.859 270 S HN 0.289 nan 8.310 nan 0.000 0.453 271 V N 1.574 121.480 119.914 -0.014 0.000 2.343 271 V HA -0.109 4.011 4.120 -0.000 0.000 0.247 271 V C 2.525 178.609 176.094 -0.017 0.000 1.051 271 V CA 1.695 63.986 62.300 -0.014 0.000 1.036 271 V CB -0.739 31.076 31.823 -0.013 0.000 0.654 271 V HN 0.418 nan 8.190 nan 0.000 0.451 272 V N -0.150 119.753 119.914 -0.019 0.000 2.332 272 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 272 V C 2.430 178.509 176.094 -0.024 0.000 1.055 272 V CA 2.186 64.473 62.300 -0.022 0.000 1.038 272 V CB -0.621 31.188 31.823 -0.024 0.000 0.651 272 V HN 0.559 nan 8.190 nan 0.000 0.450 273 K N -0.634 119.750 120.400 -0.027 0.000 2.228 273 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 273 K C 2.178 178.765 176.600 -0.022 0.000 1.051 273 K CA 0.984 57.253 56.287 -0.029 0.000 0.960 273 K CB -0.069 32.411 32.500 -0.034 0.000 0.743 273 K HN 0.535 nan 8.250 nan 0.000 0.458 274 E N 1.251 121.440 120.200 -0.018 0.000 2.072 274 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 274 E C 1.668 178.261 176.600 -0.012 0.000 0.985 274 E CA 0.867 57.259 56.400 -0.014 0.000 0.801 274 E CB 0.166 29.859 29.700 -0.012 0.000 0.750 274 E HN 0.228 nan 8.360 nan 0.000 0.452 275 L N -0.788 120.428 121.223 -0.012 0.000 2.529 275 L HA 0.226 4.566 4.340 -0.000 0.000 0.223 275 L C 1.325 178.189 176.870 -0.009 0.000 1.113 275 L CA 0.419 55.253 54.840 -0.009 0.000 0.861 275 L CB 0.318 42.372 42.059 -0.009 0.000 1.012 275 L HN 0.377 nan 8.230 nan 0.000 0.461 276 G N 1.028 109.821 108.800 -0.013 0.000 2.149 276 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.235 276 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.235 276 G C 0.240 175.133 174.900 -0.011 0.000 1.018 276 G CA -0.521 44.571 45.100 -0.013 0.000 0.728 276 G HN 0.112 nan 8.290 nan 0.000 0.508 277 I N 1.153 121.715 120.570 -0.013 0.000 2.845 277 I HA 0.004 4.174 4.170 -0.000 0.000 0.296 277 I C 1.356 177.465 176.117 -0.013 0.000 1.216 277 I CA 0.262 61.556 61.300 -0.010 0.000 1.438 277 I CB 0.397 38.388 38.000 -0.015 0.000 1.342 277 I HN 0.175 nan 8.210 nan 0.000 0.577 278 D N 4.429 124.826 120.400 -0.005 0.000 2.269 278 D HA 0.063 4.703 4.640 -0.000 0.000 0.208 278 D C 0.989 177.271 176.300 -0.030 0.000 0.963 278 D CA 0.802 54.796 54.000 -0.010 0.000 0.864 278 D CB 0.629 41.436 40.800 0.012 0.000 0.936 278 D HN 0.774 nan 8.370 nan 0.000 0.505 279 G N -0.599 108.181 108.800 -0.034 0.000 2.349 279 G HA2 0.484 4.444 3.960 -0.000 0.000 0.294 279 G HA3 0.484 4.444 3.960 -0.000 0.000 0.294 279 G C -1.977 172.897 174.900 -0.042 0.000 1.380 279 G CA -0.823 44.245 45.100 -0.054 0.000 0.811 279 G HN 0.029 nan 8.290 nan 0.000 0.519 280 L N 0.066 121.263 121.223 -0.043 0.000 2.370 280 L HA 0.637 4.977 4.340 -0.000 0.000 0.266 280 L C -0.467 176.391 176.870 -0.019 0.000 1.002 280 L CA -0.935 53.893 54.840 -0.020 0.000 0.818 280 L CB 2.439 44.495 42.059 -0.006 0.000 1.325 280 L HN 0.367 nan 8.230 nan 0.000 0.418 281 I N 3.127 123.702 120.570 0.008 0.000 2.355 281 I HA 0.426 4.596 4.170 -0.000 0.000 0.288 281 I C -0.889 175.252 176.117 0.041 0.000 0.999 281 I CA -0.720 60.598 61.300 0.029 0.000 1.163 281 I CB 1.851 39.889 38.000 0.063 0.000 1.316 281 I HN 0.185 nan 8.210 nan 0.000 0.454 282 V N 5.044 124.982 119.914 0.040 0.000 2.482 282 V HA 0.523 4.643 4.120 -0.000 0.000 0.295 282 V C 0.143 176.266 176.094 0.047 0.000 1.026 282 V CA -0.403 61.923 62.300 0.042 0.000 0.856 282 V CB 1.656 33.501 31.823 0.037 0.000 1.001 282 V HN 0.911 nan 8.190 nan 0.000 0.424 283 T N 0.646 115.231 114.554 0.051 0.000 2.693 283 T HA 0.536 4.886 4.350 -0.000 0.000 0.278 283 T C -0.238 174.499 174.700 0.062 0.000 0.994 283 T CA -0.701 61.431 62.100 0.052 0.000 1.033 283 T CB 2.211 71.105 68.868 0.043 0.000 1.342 283 T HN 0.413 nan 8.240 nan 0.000 0.538 284 N N 0.157 118.894 118.700 0.061 0.000 2.514 284 N HA 0.384 5.124 4.740 -0.000 0.000 0.299 284 N C 0.059 175.599 175.510 0.051 0.000 1.292 284 N CA 0.088 53.178 53.050 0.067 0.000 0.963 284 N CB 1.278 39.808 38.487 0.072 0.000 1.124 284 N HN 0.968 nan 8.380 nan 0.000 0.580 285 T N -2.211 112.370 114.554 0.044 0.000 2.868 285 T HA 0.202 4.552 4.350 -0.000 0.000 0.292 285 T C 0.436 175.149 174.700 0.021 0.000 1.028 285 T CA -0.472 61.645 62.100 0.028 0.000 1.059 285 T CB 0.799 69.678 68.868 0.019 0.000 0.991 285 T HN 0.363 nan 8.240 nan 0.000 0.531 286 T N 0.285 114.848 114.554 0.015 0.000 2.867 286 T HA 0.388 4.738 4.350 -0.000 0.000 0.282 286 T C 1.136 175.837 174.700 0.002 0.000 1.000 286 T CA -0.443 61.663 62.100 0.010 0.000 1.042 286 T CB 0.748 69.622 68.868 0.010 0.000 0.973 286 T HN 0.801 nan 8.240 nan 0.000 0.465 287 V N 2.463 122.376 119.914 -0.000 0.000 3.649 287 V HA 0.290 4.410 4.120 -0.000 0.000 0.275 287 V C 1.039 177.128 176.094 -0.009 0.000 1.281 287 V CA 0.305 62.600 62.300 -0.007 0.000 1.143 287 V CB -1.171 30.646 31.823 -0.009 0.000 0.892 287 V HN 0.809 nan 8.190 nan 0.000 0.441 288 S N 1.243 116.940 115.700 -0.005 0.000 2.632 288 S HA 0.575 5.045 4.470 -0.000 0.000 0.267 288 S C 0.151 174.746 174.600 -0.010 0.000 1.276 288 S CA -0.706 57.490 58.200 -0.007 0.000 0.998 288 S CB 1.212 64.411 63.200 -0.002 0.000 0.953 288 S HN 0.465 nan 8.310 nan 0.000 0.547 289 R N 1.650 122.143 120.500 -0.012 0.000 2.547 289 R HA 0.380 4.720 4.340 -0.000 0.000 0.280 289 R C -2.960 173.333 176.300 -0.012 0.000 1.630 289 R CA -1.661 54.430 56.100 -0.015 0.000 1.470 289 R CB 0.257 30.543 30.300 -0.023 0.000 1.178 289 R HN 0.582 nan 8.270 nan 0.000 0.591 290 P HA -0.055 nan 4.420 nan 0.000 0.263 290 P C -0.209 177.085 177.300 -0.010 0.000 1.175 290 P CA 0.231 63.327 63.100 -0.007 0.000 0.761 290 P CB 0.580 32.277 31.700 -0.005 0.000 0.794 291 A N 2.754 125.569 122.820 -0.009 0.000 2.498 291 A HA 0.442 4.762 4.320 -0.000 0.000 0.239 291 A C 1.517 179.095 177.584 -0.010 0.000 1.068 291 A CA 0.766 52.797 52.037 -0.010 0.000 0.766 291 A CB -0.788 18.206 19.000 -0.009 0.000 1.003 291 A HN 0.903 nan 8.150 nan 0.000 0.497 292 G N 0.848 109.641 108.800 -0.011 0.000 2.278 292 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.210 292 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.210 292 G C 0.221 175.113 174.900 -0.013 0.000 1.000 292 G CA -0.103 44.990 45.100 -0.011 0.000 0.635 292 G HN 0.825 nan 8.290 nan 0.000 0.495 293 L N 1.147 122.362 121.223 -0.014 0.000 2.578 293 L HA 0.127 4.467 4.340 -0.000 0.000 0.279 293 L C 1.664 178.525 176.870 -0.015 0.000 1.227 293 L CA 0.293 55.125 54.840 -0.014 0.000 0.900 293 L CB 0.605 42.655 42.059 -0.016 0.000 1.144 293 L HN 0.186 nan 8.230 nan 0.000 0.496 294 Q N 2.353 122.145 119.800 -0.014 0.000 2.402 294 Q HA 0.136 4.476 4.340 -0.000 0.000 0.231 294 Q C 0.972 176.966 176.000 -0.010 0.000 0.888 294 Q CA 0.317 56.112 55.803 -0.012 0.000 0.938 294 Q CB 0.353 29.084 28.738 -0.011 0.000 1.086 294 Q HN 0.830 nan 8.270 nan 0.000 0.543 295 G N 0.887 109.683 108.800 -0.007 0.000 2.257 295 G HA2 0.118 4.078 3.960 -0.000 0.000 0.235 295 G HA3 0.118 4.078 3.960 -0.000 0.000 0.235 295 G C 0.988 175.881 174.900 -0.013 0.000 1.225 295 G CA 0.549 45.649 45.100 -0.001 0.000 0.878 295 G HN 0.265 nan 8.290 nan 0.000 0.505 296 A N 2.286 125.101 122.820 -0.009 0.000 2.019 296 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 296 A C 2.031 179.588 177.584 -0.045 0.000 1.164 296 A CA 0.895 52.919 52.037 -0.021 0.000 0.644 296 A CB -0.122 18.872 19.000 -0.011 0.000 0.805 296 A HN 0.633 nan 8.150 nan 0.000 0.449 297 L N 0.058 121.252 121.223 -0.049 0.000 2.728 297 L HA 0.094 4.434 4.340 -0.000 0.000 0.235 297 L C 2.122 178.912 176.870 -0.134 0.000 1.197 297 L CA 0.120 54.890 54.840 -0.117 0.000 0.992 297 L CB -0.279 41.721 42.059 -0.099 0.000 1.263 297 L HN 0.518 nan 8.230 nan 0.000 0.484 298 R N -0.966 119.485 120.500 -0.082 0.000 2.200 298 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 298 R C 1.265 177.511 176.300 -0.091 0.000 1.127 298 R CA 1.322 57.380 56.100 -0.069 0.000 0.989 298 R CB -0.425 29.849 30.300 -0.044 0.000 0.869 298 R HN 0.111 nan 8.270 nan 0.000 0.459 299 S N 0.578 116.210 115.700 -0.114 0.000 2.597 299 S HA 0.116 4.586 4.470 -0.000 0.000 0.224 299 S C -0.385 174.117 174.600 -0.163 0.000 0.955 299 S CA -0.329 57.802 58.200 -0.114 0.000 0.933 299 S CB 0.153 63.299 63.200 -0.091 0.000 0.788 299 S HN 0.278 nan 8.310 nan 0.000 0.488 300 E N 2.219 122.269 120.200 -0.250 0.000 2.383 300 E HA 0.124 4.474 4.350 -0.000 0.000 0.264 300 E C 0.076 176.547 176.600 -0.215 0.000 1.050 300 E CA 0.207 56.388 56.400 -0.366 0.000 0.896 300 E CB 0.642 29.865 29.700 -0.794 0.000 0.982 300 E HN 0.047 nan 8.360 nan 0.000 0.424 301 T N 1.228 115.684 114.554 -0.163 0.000 2.919 301 T HA 0.492 4.842 4.350 -0.000 0.000 0.302 301 T C 0.310 174.986 174.700 -0.041 0.000 1.031 301 T CA 0.546 62.597 62.100 -0.081 0.000 1.127 301 T CB 0.739 69.574 68.868 -0.055 0.000 0.952 301 T HN 0.667 nan 8.240 nan 0.000 0.540 302 G N 1.057 109.842 108.800 -0.025 0.000 2.369 302 G HA2 0.405 4.365 3.960 -0.000 0.000 0.295 302 G HA3 0.405 4.365 3.960 -0.000 0.000 0.295 302 G C -0.457 174.440 174.900 -0.005 0.000 1.298 302 G CA -0.536 44.563 45.100 -0.002 0.000 0.940 302 G HN 0.873 nan 8.290 nan 0.000 0.536 303 G N -0.913 107.889 108.800 0.003 0.000 2.338 303 G HA2 0.677 4.637 3.960 -0.000 0.000 0.298 303 G HA3 0.677 4.637 3.960 -0.000 0.000 0.298 303 G C -0.444 174.459 174.900 0.005 0.000 1.140 303 G CA -0.222 44.879 45.100 0.002 0.000 0.860 303 G HN 1.285 nan 8.290 nan 0.000 0.470 304 L N 2.886 124.111 121.223 0.003 0.000 2.312 304 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 304 L C 0.484 177.357 176.870 0.006 0.000 1.070 304 L CA -0.201 54.642 54.840 0.005 0.000 0.805 304 L CB 1.471 43.532 42.059 0.003 0.000 1.174 304 L HN 0.631 nan 8.230 nan 0.000 0.434 305 S N 2.722 118.424 115.700 0.003 0.000 2.704 305 S HA 1.040 5.510 4.470 -0.000 0.000 0.296 305 S C -0.067 174.549 174.600 0.027 0.000 1.138 305 S CA -0.200 58.002 58.200 0.003 0.000 0.875 305 S CB 1.306 64.481 63.200 -0.041 0.000 1.151 305 S HN 1.800 nan 8.310 nan 0.000 0.500 306 G N 1.152 109.976 108.800 0.041 0.000 2.500 306 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.209 306 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.209 306 G C 0.276 175.201 174.900 0.042 0.000 1.283 306 G CA 0.103 45.242 45.100 0.065 0.000 0.960 306 G HN 0.909 nan 8.290 nan 0.000 0.528 307 K N 0.735 121.149 120.400 0.024 0.000 2.074 307 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 307 K C -0.158 176.448 176.600 0.010 0.000 1.048 307 K CA 2.298 58.594 56.287 0.016 0.000 0.926 307 K CB -0.823 31.675 32.500 -0.004 0.000 0.713 307 K HN 0.302 nan 8.250 nan 0.000 0.444 308 P HA -0.148 nan 4.420 nan 0.000 0.221 308 P C 0.984 178.289 177.300 0.009 0.000 1.145 308 P CA 0.849 63.951 63.100 0.004 0.000 0.795 308 P CB 0.113 31.814 31.700 0.001 0.000 0.775 309 L N -1.307 119.926 121.223 0.016 0.000 2.416 309 L HA 0.192 4.532 4.340 -0.000 0.000 0.216 309 L C 2.337 179.220 176.870 0.023 0.000 1.098 309 L CA 0.970 55.822 54.840 0.020 0.000 0.840 309 L CB -0.655 41.418 42.059 0.024 0.000 0.981 309 L HN -0.294 nan 8.230 nan 0.000 0.462 310 R N 0.124 120.639 120.500 0.025 0.000 2.179 310 R HA -0.266 4.074 4.340 -0.000 0.000 0.238 310 R C 1.715 178.027 176.300 0.021 0.000 1.119 310 R CA 2.692 58.808 56.100 0.027 0.000 0.915 310 R CB -0.520 29.796 30.300 0.027 0.000 0.870 310 R HN 0.385 nan 8.270 nan 0.000 0.432 311 D N 0.147 120.556 120.400 0.014 0.000 2.144 311 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 311 D C 1.755 178.063 176.300 0.012 0.000 0.984 311 D CA 0.775 54.782 54.000 0.011 0.000 0.834 311 D CB -0.251 40.552 40.800 0.006 0.000 0.955 311 D HN 0.188 nan 8.370 nan 0.000 0.465 312 L N 0.261 121.493 121.223 0.014 0.000 2.083 312 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 312 L C 2.121 179.003 176.870 0.020 0.000 1.083 312 L CA 1.537 56.386 54.840 0.015 0.000 0.752 312 L CB -0.734 41.334 42.059 0.014 0.000 0.899 312 L HN -0.069 nan 8.230 nan 0.000 0.433 313 S N -1.835 113.878 115.700 0.023 0.000 2.371 313 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 313 S C 1.889 176.505 174.600 0.027 0.000 1.029 313 S CA 1.616 59.833 58.200 0.028 0.000 0.978 313 S CB -0.402 62.817 63.200 0.033 0.000 0.833 313 S HN 0.637 nan 8.310 nan 0.000 0.466 314 T N 2.279 116.846 114.554 0.021 0.000 2.746 314 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 314 T C 1.940 176.653 174.700 0.022 0.000 1.039 314 T CA 1.165 63.274 62.100 0.016 0.000 1.142 314 T CB -0.292 68.581 68.868 0.007 0.000 0.866 314 T HN 0.373 nan 8.240 nan 0.000 0.444 315 Q N 0.653 120.465 119.800 0.021 0.000 2.167 315 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 315 Q C 2.533 178.557 176.000 0.041 0.000 0.970 315 Q CA 1.234 57.052 55.803 0.025 0.000 0.855 315 Q CB -0.784 27.965 28.738 0.018 0.000 0.911 315 Q HN 0.499 nan 8.270 nan 0.000 0.438 316 T N 1.370 115.947 114.554 0.038 0.000 2.821 316 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 316 T C 2.014 176.749 174.700 0.059 0.000 1.046 316 T CA 0.635 62.762 62.100 0.044 0.000 1.139 316 T CB -0.073 68.817 68.868 0.037 0.000 0.871 316 T HN 0.185 nan 8.240 nan 0.000 0.454 317 I N 0.620 121.224 120.570 0.057 0.000 2.252 317 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 317 I C 2.831 179.019 176.117 0.119 0.000 1.102 317 I CA 1.132 62.472 61.300 0.068 0.000 1.385 317 I CB -0.318 37.704 38.000 0.037 0.000 1.064 317 I HN 0.102 nan 8.210 nan 0.000 0.414 318 R N 0.937 121.512 120.500 0.124 0.000 2.083 318 R HA -0.254 4.086 4.340 -0.000 0.000 0.237 318 R C 2.265 178.731 176.300 0.277 0.000 1.137 318 R CA 2.105 58.339 56.100 0.223 0.000 0.951 318 R CB -0.165 30.193 30.300 0.096 0.000 0.851 318 R HN 0.368 nan 8.270 nan 0.000 0.434 319 E N -0.359 119.935 120.200 0.158 0.000 2.047 319 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 319 E C 1.914 178.582 176.600 0.113 0.000 0.987 319 E CA 1.311 57.787 56.400 0.127 0.000 0.799 319 E CB 0.085 29.830 29.700 0.075 0.000 0.752 319 E HN 0.209 nan 8.360 nan 0.000 0.449 320 M N -0.163 119.496 119.600 0.097 0.000 2.213 320 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 320 M C 2.124 178.461 176.300 0.061 0.000 1.062 320 M CA 1.276 56.614 55.300 0.064 0.000 1.105 320 M CB -1.140 31.491 32.600 0.053 0.000 1.385 320 M HN 0.263 nan 8.290 nan 0.000 0.417 321 Y N 1.211 121.486 120.300 -0.042 0.000 2.145 321 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 321 Y C 2.422 178.226 175.900 -0.161 0.000 1.145 321 Y CA 2.146 60.163 58.100 -0.138 0.000 1.148 321 Y CB -0.337 37.975 38.460 -0.248 0.000 0.981 321 Y HN 0.201 nan 8.280 nan 0.000 0.507 322 A N -0.027 122.804 122.820 0.017 0.000 1.930 322 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 322 A C 2.240 179.792 177.584 -0.055 0.000 1.175 322 A CA 1.609 53.641 52.037 -0.009 0.000 0.627 322 A CB -1.085 18.021 19.000 0.177 0.000 0.815 322 A HN 0.540 nan 8.150 nan 0.000 0.443 323 L N 0.012 121.221 121.223 -0.024 0.000 2.201 323 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 323 L C 2.248 179.075 176.870 -0.071 0.000 1.105 323 L CA 1.595 56.416 54.840 -0.032 0.000 0.775 323 L CB -0.412 41.642 42.059 -0.008 0.000 0.913 323 L HN 0.628 nan 8.230 nan 0.000 0.440 324 T N -5.188 109.293 114.554 -0.122 0.000 3.145 324 T HA 0.152 4.502 4.350 -0.000 0.000 0.255 324 T C 0.638 175.205 174.700 -0.221 0.000 1.039 324 T CA -0.370 61.642 62.100 -0.147 0.000 0.928 324 T CB 0.410 69.197 68.868 -0.135 0.000 1.029 324 T HN 0.127 nan 8.240 nan 0.000 0.554 325 Q N 0.501 120.151 119.800 -0.250 0.000 2.461 325 Q HA -0.155 4.185 4.340 -0.000 0.000 0.264 325 Q C 1.272 177.008 176.000 -0.440 0.000 1.085 325 Q CA 1.149 56.787 55.803 -0.275 0.000 1.006 325 Q CB -2.355 26.287 28.738 -0.161 0.000 1.437 325 Q HN 1.152 nan 8.270 nan 0.000 0.514 326 G N -0.921 107.396 108.800 -0.806 0.000 2.187 326 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.261 326 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.261 326 G C 0.693 175.341 174.900 -0.420 0.000 1.000 326 G CA 0.768 45.210 45.100 -1.095 0.000 0.718 326 G HN 0.492 nan 8.290 nan 0.000 0.519 327 R N -1.230 119.100 120.500 -0.284 0.000 2.334 327 R HA 0.320 4.660 4.340 -0.000 0.000 0.212 327 R C 0.350 176.583 176.300 -0.111 0.000 0.897 327 R CA 0.292 56.300 56.100 -0.152 0.000 1.056 327 R CB 0.925 31.153 30.300 -0.120 0.000 1.046 327 R HN 0.308 nan 8.270 nan 0.000 0.513 328 V N 3.032 122.872 119.914 -0.123 0.000 2.357 328 V HA 0.270 4.390 4.120 -0.000 0.000 0.284 328 V C -2.306 173.757 176.094 -0.052 0.000 1.018 328 V CA -2.414 59.840 62.300 -0.077 0.000 0.841 328 V CB 1.574 33.355 31.823 -0.070 0.000 0.991 328 V HN -0.057 nan 8.190 nan 0.000 0.437 329 P HA 0.201 nan 4.420 nan 0.000 0.262 329 P C -0.602 176.663 177.300 -0.058 0.000 1.182 329 P CA 0.482 63.547 63.100 -0.058 0.000 0.761 329 P CB 0.412 32.058 31.700 -0.091 0.000 0.795 330 I N 3.844 124.389 120.570 -0.042 0.000 2.509 330 I HA 0.387 4.557 4.170 -0.000 0.000 0.293 330 I C 0.050 176.125 176.117 -0.071 0.000 1.020 330 I CA -0.801 60.478 61.300 -0.035 0.000 1.088 330 I CB 1.818 39.833 38.000 0.026 0.000 1.267 330 I HN 0.111 nan 8.210 nan 0.000 0.430 331 I N 4.785 125.318 120.570 -0.062 0.000 2.328 331 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 331 I C 0.635 176.764 176.117 0.021 0.000 1.012 331 I CA -0.373 60.906 61.300 -0.035 0.000 1.195 331 I CB 1.456 39.442 38.000 -0.024 0.000 1.350 331 I HN 0.622 nan 8.210 nan 0.000 0.464 332 G N 6.133 114.949 108.800 0.027 0.000 2.355 332 G HA2 0.541 4.501 3.960 -0.000 0.000 0.276 332 G HA3 0.541 4.501 3.960 -0.000 0.000 0.276 332 G C -0.562 174.375 174.900 0.061 0.000 1.198 332 G CA -0.144 44.978 45.100 0.036 0.000 0.876 332 G HN 0.383 nan 8.290 nan 0.000 0.478 333 V N 0.799 120.750 119.914 0.061 0.000 2.888 333 V HA 0.945 5.065 4.120 -0.000 0.000 0.309 333 V C 0.294 176.426 176.094 0.063 0.000 1.114 333 V CA -0.139 62.204 62.300 0.072 0.000 0.940 333 V CB 1.592 33.465 31.823 0.084 0.000 1.021 333 V HN 1.676 nan 8.190 nan 0.000 0.426 334 G N 1.639 110.479 108.800 0.067 0.000 2.648 334 G HA2 0.530 4.490 3.960 -0.000 0.000 0.317 334 G HA3 0.530 4.490 3.960 -0.000 0.000 0.317 334 G C 0.476 175.409 174.900 0.055 0.000 1.216 334 G CA -0.086 45.049 45.100 0.057 0.000 1.210 334 G HN 2.169 nan 8.290 nan 0.000 0.583 335 G N -0.656 108.183 108.800 0.064 0.000 2.198 335 G HA2 0.006 3.966 3.960 -0.000 0.000 0.260 335 G HA3 0.006 3.966 3.960 -0.000 0.000 0.260 335 G C 0.526 175.472 174.900 0.077 0.000 1.025 335 G CA 0.514 45.655 45.100 0.068 0.000 0.769 335 G HN 1.756 nan 8.290 nan 0.000 0.507 336 V N 0.622 120.587 119.914 0.086 0.000 2.427 336 V HA 0.580 4.700 4.120 -0.000 0.000 0.268 336 V C 1.141 177.304 176.094 0.115 0.000 1.046 336 V CA 1.154 63.505 62.300 0.084 0.000 0.970 336 V CB 1.476 33.346 31.823 0.078 0.000 1.001 336 V HN 0.498 nan 8.190 nan 0.000 0.476 337 S N 2.869 118.635 115.700 0.111 0.000 2.817 337 S HA 0.282 4.752 4.470 -0.000 0.000 0.262 337 S C 0.293 174.940 174.600 0.077 0.000 1.051 337 S CA 0.336 58.632 58.200 0.160 0.000 1.185 337 S CB 0.184 63.533 63.200 0.250 0.000 1.152 337 S HN 0.970 nan 8.310 nan 0.000 0.653 338 S N -1.495 114.225 115.700 0.032 0.000 2.656 338 S HA 0.649 5.119 4.470 -0.000 0.000 0.273 338 S C 1.137 175.727 174.600 -0.016 0.000 1.168 338 S CA -0.125 58.066 58.200 -0.014 0.000 0.817 338 S CB 0.525 63.707 63.200 -0.030 0.000 1.146 338 S HN 0.142 nan 8.310 nan 0.000 0.475 339 G N 0.274 109.053 108.800 -0.035 0.000 2.418 339 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 339 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 339 G C 1.156 176.048 174.900 -0.012 0.000 1.158 339 G CA 1.189 46.272 45.100 -0.028 0.000 0.771 339 G HN 0.853 nan 8.290 nan 0.000 0.545 340 Q N 0.218 120.011 119.800 -0.011 0.000 2.050 340 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 340 Q C 1.974 177.973 176.000 -0.002 0.000 0.980 340 Q CA 1.766 57.567 55.803 -0.004 0.000 0.840 340 Q CB -0.160 28.575 28.738 -0.005 0.000 0.898 340 Q HN 0.356 nan 8.270 nan 0.000 0.424 341 D N 0.357 120.759 120.400 0.003 0.000 2.123 341 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 341 D C 1.741 178.046 176.300 0.009 0.000 0.992 341 D CA 1.459 55.466 54.000 0.011 0.000 0.833 341 D CB -0.311 40.505 40.800 0.027 0.000 0.954 341 D HN 0.438 nan 8.370 nan 0.000 0.455 342 A N 0.696 123.521 122.820 0.008 0.000 1.873 342 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 342 A C 2.159 179.733 177.584 -0.017 0.000 1.186 342 A CA 0.943 52.984 52.037 0.006 0.000 0.616 342 A CB -0.692 18.314 19.000 0.010 0.000 0.823 342 A HN 0.229 nan 8.150 nan 0.000 0.442 343 L N 0.174 121.383 121.223 -0.024 0.000 2.141 343 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 343 L C 2.128 178.966 176.870 -0.053 0.000 1.094 343 L CA 2.060 56.871 54.840 -0.050 0.000 0.763 343 L CB -0.595 41.447 42.059 -0.028 0.000 0.908 343 L HN 0.504 nan 8.230 nan 0.000 0.437 344 E N -0.549 119.634 120.200 -0.028 0.000 2.110 344 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 344 E C 2.093 178.669 176.600 -0.040 0.000 0.988 344 E CA 1.264 57.647 56.400 -0.027 0.000 0.804 344 E CB -0.074 29.619 29.700 -0.013 0.000 0.745 344 E HN 0.510 nan 8.360 nan 0.000 0.458 345 K N 0.458 120.837 120.400 -0.034 0.000 2.097 345 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 345 K C 2.164 178.719 176.600 -0.075 0.000 1.050 345 K CA 0.796 57.061 56.287 -0.037 0.000 0.938 345 K CB -0.016 32.477 32.500 -0.012 0.000 0.718 345 K HN 0.110 nan 8.250 nan 0.000 0.442 346 I N 0.744 121.259 120.570 -0.092 0.000 2.202 346 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 346 I C 2.289 178.293 176.117 -0.188 0.000 1.091 346 I CA 1.244 62.460 61.300 -0.141 0.000 1.368 346 I CB -0.196 37.713 38.000 -0.152 0.000 1.058 346 I HN 0.115 nan 8.210 nan 0.000 0.410 347 R N 0.746 121.146 120.500 -0.165 0.000 2.120 347 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 347 R C 2.282 178.511 176.300 -0.118 0.000 1.123 347 R CA 1.311 57.324 56.100 -0.146 0.000 0.975 347 R CB -0.367 29.885 30.300 -0.081 0.000 0.866 347 R HN 0.353 nan 8.270 nan 0.000 0.446 348 A N -0.251 122.506 122.820 -0.106 0.000 2.119 348 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 348 A C 1.513 179.007 177.584 -0.151 0.000 1.153 348 A CA 1.351 53.359 52.037 -0.048 0.000 0.692 348 A CB 0.085 19.072 19.000 -0.022 0.000 0.799 348 A HN 0.487 nan 8.150 nan 0.000 0.458 349 G N -2.985 105.574 108.800 -0.402 0.000 2.559 349 G HA2 0.278 4.238 3.960 -0.000 0.000 0.202 349 G HA3 0.278 4.238 3.960 -0.000 0.000 0.202 349 G C 0.271 174.989 174.900 -0.304 0.000 0.992 349 G CA -0.004 44.595 45.100 -0.835 0.000 0.764 349 G HN 1.272 nan 8.290 nan 0.000 0.525 350 A N 0.675 123.394 122.820 -0.169 0.000 2.401 350 A HA 0.749 5.069 4.320 -0.000 0.000 0.259 350 A C 1.343 178.862 177.584 -0.109 0.000 1.103 350 A CA 1.010 52.992 52.037 -0.092 0.000 0.789 350 A CB 0.830 19.796 19.000 -0.057 0.000 1.035 350 A HN 0.651 nan 8.150 nan 0.000 0.491 351 S N 1.058 116.693 115.700 -0.108 0.000 2.458 351 S HA 0.254 4.724 4.470 -0.000 0.000 0.223 351 S C 0.392 174.883 174.600 -0.182 0.000 1.019 351 S CA 0.575 58.688 58.200 -0.144 0.000 0.937 351 S CB -0.337 62.762 63.200 -0.167 0.000 0.788 351 S HN 0.592 nan 8.310 nan 0.000 0.511 352 L N 0.491 121.616 121.223 -0.162 0.000 2.409 352 L HA 0.695 5.035 4.340 -0.000 0.000 0.255 352 L C -0.986 175.912 176.870 0.047 0.000 1.027 352 L CA -1.069 53.712 54.840 -0.099 0.000 0.834 352 L CB 2.155 44.023 42.059 -0.319 0.000 1.426 352 L HN -0.045 nan 8.230 nan 0.000 0.411 353 V N -1.346 118.670 119.914 0.170 0.000 3.102 353 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 353 V C -1.169 175.038 176.094 0.188 0.000 1.135 353 V CA -0.490 61.898 62.300 0.148 0.000 1.022 353 V CB 2.090 33.966 31.823 0.089 0.000 1.056 353 V HN 0.885 nan 8.190 nan 0.000 0.436 354 Q N 1.398 121.267 119.800 0.114 0.000 2.495 354 Q HA 0.856 5.196 4.340 -0.000 0.000 0.287 354 Q C -1.629 174.412 176.000 0.067 0.000 1.078 354 Q CA -0.873 54.952 55.803 0.036 0.000 0.793 354 Q CB 2.861 31.607 28.738 0.013 0.000 1.459 354 Q HN 0.938 nan 8.270 nan 0.000 0.422 355 L N -2.498 118.761 121.223 0.061 0.000 2.469 355 L HA 0.584 4.924 4.340 -0.000 0.000 0.256 355 L C -1.051 175.905 176.870 0.144 0.000 1.006 355 L CA -0.430 54.485 54.840 0.125 0.000 0.832 355 L CB 1.356 43.513 42.059 0.163 0.000 1.421 355 L HN 0.886 nan 8.230 nan 0.000 0.410 356 Y N -0.409 119.896 120.300 0.008 0.000 3.341 356 Y HA -0.011 4.539 4.550 0.000 0.000 0.179 356 Y C 1.570 177.464 175.900 -0.010 0.000 0.929 356 Y CA 0.500 58.585 58.100 -0.026 0.000 1.758 356 Y CB 0.757 39.207 38.460 -0.016 0.000 1.446 356 Y HN 0.660 nan 8.280 nan 0.000 0.337 357 T N 1.945 116.540 114.554 0.068 0.000 2.737 357 T HA -0.244 4.106 4.350 -0.000 0.000 0.269 357 T C 1.745 176.498 174.700 0.088 0.000 1.040 357 T CA 1.601 63.673 62.100 -0.046 0.000 1.142 357 T CB -0.591 68.279 68.868 0.003 0.000 0.861 357 T HN 0.510 nan 8.240 nan 0.000 0.456 358 A N 1.087 124.001 122.820 0.157 0.000 1.933 358 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 358 A C 2.217 179.855 177.584 0.090 0.000 1.175 358 A CA 1.266 53.409 52.037 0.177 0.000 0.628 358 A CB -0.719 18.439 19.000 0.263 0.000 0.814 358 A HN 0.432 nan 8.150 nan 0.000 0.444 359 L N 0.528 121.815 121.223 0.106 0.000 2.093 359 L HA -0.109 4.230 4.340 -0.000 0.000 0.208 359 L C 2.639 179.493 176.870 -0.026 0.000 1.085 359 L CA 2.767 57.641 54.840 0.057 0.000 0.755 359 L CB -0.881 41.191 42.059 0.022 0.000 0.904 359 L HN 0.554 nan 8.230 nan 0.000 0.435 360 T N -4.069 110.427 114.554 -0.098 0.000 3.035 360 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 360 T C 1.531 175.922 174.700 -0.515 0.000 1.109 360 T CA 1.208 63.149 62.100 -0.266 0.000 1.119 360 T CB -0.619 68.018 68.868 -0.384 0.000 0.900 360 T HN 0.334 nan 8.240 nan 0.000 0.503 361 F N -0.892 118.792 119.950 -0.444 0.000 2.453 361 F HA 0.378 4.905 4.527 -0.000 0.000 0.284 361 F C 1.715 177.106 175.800 -0.682 0.000 1.065 361 F CA -0.387 57.116 58.000 -0.829 0.000 1.411 361 F CB 0.149 38.199 39.000 -1.583 0.000 1.131 361 F HN 0.160 nan 8.300 nan 0.000 0.582 362 W N 0.279 121.710 121.300 0.217 0.000 3.013 362 W HA 0.482 5.142 4.660 -0.000 0.000 0.280 362 W C 1.164 177.752 176.519 0.114 0.000 1.249 362 W CA 0.297 57.726 57.345 0.141 0.000 1.577 362 W CB -0.140 29.377 29.460 0.095 0.000 1.057 362 W HN 0.129 nan 8.180 nan 0.000 0.613 363 G N 0.995 109.920 108.800 0.210 0.000 2.760 363 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 363 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 363 G C -1.772 173.131 174.900 0.004 0.000 1.359 363 G CA -0.498 44.683 45.100 0.135 0.000 0.861 363 G HN -0.105 nan 8.290 nan 0.000 0.541 364 P HA -0.067 nan 4.420 nan 0.000 0.216 364 P C -1.147 176.015 177.300 -0.229 0.000 1.154 364 P CA 2.707 65.696 63.100 -0.186 0.000 0.865 364 P CB -0.493 31.087 31.700 -0.200 0.000 0.789 365 P HA -0.119 nan 4.420 nan 0.000 0.221 365 P C 1.634 178.861 177.300 -0.121 0.000 1.145 365 P CA 0.804 63.781 63.100 -0.206 0.000 0.795 365 P CB -0.402 31.178 31.700 -0.199 0.000 0.775 366 V N -0.516 119.367 119.914 -0.051 0.000 2.594 366 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 366 V C 2.054 178.086 176.094 -0.103 0.000 1.069 366 V CA 1.653 63.951 62.300 -0.003 0.000 1.082 366 V CB -0.731 31.191 31.823 0.166 0.000 0.680 366 V HN -0.060 nan 8.190 nan 0.000 0.469 367 V N 0.697 120.488 119.914 -0.206 0.000 2.295 367 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 367 V C 2.706 178.623 176.094 -0.294 0.000 1.049 367 V CA 2.168 64.268 62.300 -0.333 0.000 1.024 367 V CB -1.515 29.941 31.823 -0.613 0.000 0.648 367 V HN 0.608 nan 8.190 nan 0.000 0.447 368 G N -0.759 107.879 108.800 -0.270 0.000 2.408 368 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 368 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 368 G C 1.646 176.288 174.900 -0.431 0.000 1.150 368 G CA 0.868 45.758 45.100 -0.351 0.000 0.776 368 G HN 0.459 nan 8.290 nan 0.000 0.542 369 K N 0.145 120.389 120.400 -0.261 0.000 2.002 369 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 369 K C 2.589 179.057 176.600 -0.219 0.000 1.048 369 K CA 1.426 57.585 56.287 -0.213 0.000 0.930 369 K CB -0.306 32.109 32.500 -0.142 0.000 0.714 369 K HN 0.185 nan 8.250 nan 0.000 0.438 370 V N 1.820 121.625 119.914 -0.182 0.000 2.343 370 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 370 V C 2.225 178.213 176.094 -0.175 0.000 1.051 370 V CA 1.844 64.065 62.300 -0.133 0.000 1.036 370 V CB -0.398 31.381 31.823 -0.072 0.000 0.654 370 V HN 0.356 nan 8.190 nan 0.000 0.451 371 K N -0.267 119.960 120.400 -0.289 0.000 2.057 371 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 371 K C 2.414 178.765 176.600 -0.415 0.000 1.049 371 K CA 1.542 57.632 56.287 -0.329 0.000 0.931 371 K CB -0.256 31.980 32.500 -0.440 0.000 0.714 371 K HN 0.320 nan 8.250 nan 0.000 0.440 372 R N 1.675 121.775 120.500 -0.667 0.000 2.073 372 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 372 R C 1.774 178.002 176.300 -0.121 0.000 1.134 372 R CA 1.722 57.595 56.100 -0.378 0.000 0.952 372 R CB 0.034 30.131 30.300 -0.339 0.000 0.850 372 R HN 0.242 nan 8.270 nan 0.000 0.433 373 E N 0.367 120.491 120.200 -0.127 0.000 2.106 373 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 373 E C 1.958 178.542 176.600 -0.026 0.000 0.984 373 E CA 0.905 57.269 56.400 -0.060 0.000 0.806 373 E CB -0.109 29.551 29.700 -0.067 0.000 0.750 373 E HN 0.205 nan 8.360 nan 0.000 0.458 374 L N 1.735 122.937 121.223 -0.035 0.000 2.017 374 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 374 L C 2.258 179.150 176.870 0.037 0.000 1.073 374 L CA 1.926 56.766 54.840 -0.000 0.000 0.745 374 L CB -0.366 41.692 42.059 -0.002 0.000 0.894 374 L HN 0.060 nan 8.230 nan 0.000 0.432 375 E N -0.619 119.615 120.200 0.058 0.000 2.058 375 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 375 E C 2.081 178.732 176.600 0.086 0.000 0.997 375 E CA 1.296 57.756 56.400 0.101 0.000 0.801 375 E CB -0.212 29.590 29.700 0.170 0.000 0.746 375 E HN 0.621 nan 8.360 nan 0.000 0.450 376 A N 0.982 123.842 122.820 0.066 0.000 1.902 376 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 376 A C 2.220 179.838 177.584 0.057 0.000 1.181 376 A CA 1.180 53.249 52.037 0.055 0.000 0.623 376 A CB -0.659 18.362 19.000 0.035 0.000 0.818 376 A HN 0.312 nan 8.150 nan 0.000 0.443 377 L N -0.747 120.509 121.223 0.056 0.000 2.083 377 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 377 L C 2.572 179.521 176.870 0.132 0.000 1.083 377 L CA 0.949 55.833 54.840 0.073 0.000 0.752 377 L CB -0.517 41.577 42.059 0.057 0.000 0.899 377 L HN 0.386 nan 8.230 nan 0.000 0.433 378 L N -0.355 120.955 121.223 0.145 0.000 2.017 378 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 378 L C 2.676 179.672 176.870 0.211 0.000 1.073 378 L CA 1.523 56.511 54.840 0.245 0.000 0.745 378 L CB -0.476 41.683 42.059 0.166 0.000 0.894 378 L HN 0.210 nan 8.230 nan 0.000 0.432 379 K N -0.063 120.410 120.400 0.122 0.000 2.002 379 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 379 K C 2.033 178.659 176.600 0.043 0.000 1.048 379 K CA 1.674 58.006 56.287 0.075 0.000 0.930 379 K CB -0.255 32.280 32.500 0.059 0.000 0.714 379 K HN 0.274 nan 8.250 nan 0.000 0.438 380 E N 1.230 121.457 120.200 0.046 0.000 2.219 380 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 380 E C 1.321 177.921 176.600 -0.001 0.000 0.998 380 E CA 1.280 57.693 56.400 0.022 0.000 0.818 380 E CB 0.172 29.890 29.700 0.030 0.000 0.741 380 E HN 0.326 nan 8.360 nan 0.000 0.477 381 Q N -1.415 118.392 119.800 0.011 0.000 2.247 381 Q HA 0.164 4.504 4.340 -0.000 0.000 0.204 381 Q C 0.668 176.460 176.000 -0.346 0.000 0.872 381 Q CA 0.313 56.061 55.803 -0.093 0.000 0.951 381 Q CB 1.213 29.987 28.738 0.060 0.000 1.099 381 Q HN 0.447 nan 8.270 nan 0.000 0.501 382 G N 0.750 109.423 108.800 -0.212 0.000 2.159 382 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.256 382 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.256 382 G C -0.162 174.577 174.900 -0.269 0.000 0.977 382 G CA -0.259 44.694 45.100 -0.247 0.000 0.652 382 G HN 0.319 nan 8.290 nan 0.000 0.531 383 F N 0.639 120.596 119.950 0.012 0.000 2.427 383 F HA 0.500 5.027 4.527 -0.000 0.000 0.352 383 F C 1.804 177.614 175.800 0.017 0.000 1.100 383 F CA 0.262 58.270 58.000 0.014 0.000 1.191 383 F CB 1.479 40.487 39.000 0.013 0.000 1.128 383 F HN -0.012 nan 8.300 nan 0.000 0.533 384 G N 1.847 110.766 108.800 0.199 0.000 2.484 384 G HA2 0.355 4.315 3.960 -0.000 0.000 0.218 384 G HA3 0.355 4.315 3.960 -0.000 0.000 0.218 384 G C 0.501 175.471 174.900 0.117 0.000 1.130 384 G CA 0.681 45.853 45.100 0.120 0.000 0.784 384 G HN 0.993 nan 8.290 nan 0.000 0.543 385 G N -2.087 106.796 108.800 0.139 0.000 2.441 385 G HA2 0.327 4.287 3.960 -0.000 0.000 0.294 385 G HA3 0.327 4.287 3.960 -0.000 0.000 0.294 385 G C 0.434 175.357 174.900 0.038 0.000 1.393 385 G CA 0.134 45.287 45.100 0.087 0.000 0.796 385 G HN 0.100 nan 8.290 nan 0.000 0.494 386 V N 0.383 120.300 119.914 0.005 0.000 2.282 386 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 386 V C 3.149 179.191 176.094 -0.087 0.000 1.057 386 V CA 3.011 65.275 62.300 -0.060 0.000 1.032 386 V CB -1.016 30.792 31.823 -0.025 0.000 0.645 386 V HN 0.871 nan 8.190 nan 0.000 0.447 387 T N -0.398 114.137 114.554 -0.032 0.000 2.778 387 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 387 T C 1.555 176.242 174.700 -0.021 0.000 1.050 387 T CA 1.741 63.827 62.100 -0.024 0.000 1.137 387 T CB -0.397 68.476 68.868 0.009 0.000 0.860 387 T HN 0.536 nan 8.240 nan 0.000 0.468 388 D N 1.050 121.453 120.400 0.006 0.000 2.224 388 D HA 0.087 4.727 4.640 -0.000 0.000 0.205 388 D C 2.208 178.497 176.300 -0.019 0.000 0.965 388 D CA 0.888 54.937 54.000 0.080 0.000 0.852 388 D CB -0.183 40.752 40.800 0.225 0.000 0.947 388 D HN 0.467 nan 8.370 nan 0.000 0.494 389 A N 0.650 123.242 122.820 -0.380 0.000 2.072 389 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 389 A C 1.292 178.639 177.584 -0.395 0.000 1.156 389 A CA -0.200 51.322 52.037 -0.859 0.000 0.701 389 A CB -0.288 17.954 19.000 -1.263 0.000 0.816 389 A HN 0.125 nan 8.150 nan 0.000 0.458 390 I N 0.928 121.357 120.570 -0.234 0.000 2.872 390 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 390 I C 1.563 177.577 176.117 -0.171 0.000 1.197 390 I CA 1.286 62.477 61.300 -0.182 0.000 1.390 390 I CB -0.348 37.591 38.000 -0.102 0.000 1.400 390 I HN 0.480 nan 8.210 nan 0.000 0.544 391 G N 4.520 113.131 108.800 -0.315 0.000 2.184 391 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 391 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 391 G C 1.167 176.071 174.900 0.007 0.000 0.975 391 G CA 0.517 45.394 45.100 -0.372 0.000 0.642 391 G HN 0.872 nan 8.290 nan 0.000 0.536 392 A N 0.272 123.091 122.820 -0.000 0.000 1.997 392 A HA -0.090 4.230 4.320 -0.000 0.000 0.221 392 A C 2.017 179.670 177.584 0.114 0.000 1.172 392 A CA 2.437 54.540 52.037 0.111 0.000 0.645 392 A CB -0.389 18.729 19.000 0.196 0.000 0.813 392 A HN 0.452 nan 8.150 nan 0.000 0.454 393 D N -0.943 119.489 120.400 0.054 0.000 2.178 393 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 393 D C 1.581 177.845 176.300 -0.061 0.000 0.980 393 D CA 1.109 55.092 54.000 -0.029 0.000 0.842 393 D CB -0.487 40.231 40.800 -0.136 0.000 0.948 393 D HN 0.684 nan 8.370 nan 0.000 0.472 394 H N -0.087 119.001 119.070 0.030 0.000 2.524 394 H HA 0.139 4.695 4.556 -0.000 0.000 0.282 394 H C 1.523 176.900 175.328 0.083 0.000 1.016 394 H CA 0.536 56.635 56.048 0.085 0.000 1.270 394 H CB 0.511 30.388 29.762 0.192 0.000 1.394 394 H HN 0.132 nan 8.280 nan 0.000 0.568 395 R N 1.132 121.740 120.500 0.181 0.000 2.312 395 R HA 0.076 4.416 4.340 -0.000 0.000 0.205 395 R C 1.056 177.405 176.300 0.082 0.000 0.904 395 R CA -0.144 56.032 56.100 0.127 0.000 1.052 395 R CB 0.595 30.971 30.300 0.127 0.000 1.014 395 R HN 0.308 nan 8.270 nan 0.000 0.503 396 R N 0.000 120.539 120.500 0.066 0.000 2.786 396 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 396 R CA 0.000 56.124 56.100 0.040 0.000 0.921 396 R CB 0.000 30.320 30.300 0.033 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535