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 2r46_1_B DATA FIRST_RESID 1 DATA SEQUENCE METKDLIVIG GGINGAGIAA DAAGRGLSVL MLEAQDLACA TSSASSKLIH DATA SEQUENCE GGLRYLEHYE FRLVSEALAE REVLLKMAPH IAFPMRFRLP HRPHLRPAWM DATA SEQUENCE IRIGLFMYDH LGKRTSLPGS TGLRFGANSV LKPEIKRGFE YSDCWVDDAR DATA SEQUENCE LVLANAQMVV RKGGEVLTRT RATSARRENG LWIVEAEDID TGKKYSWQAR DATA SEQUENCE GLVNATGPWV KQFFDDGMHL PSPYGIRLIK GSHIVVPRVH TQKQAYILQN DATA SEQUENCE EDKRIVFVIP WMDEFSIIGT TDVEYKGDPK AVKIEESEIN YLLNVYNTHF DATA SEQUENCE KKQLSRDDIV WTYSGVRPLC DDESDSPQAI TRDYTLDIHD ENGKAPLLSV DATA SEQUENCE FGGKLTTYRK LAEHALEKLT PYYQGIGPAW TKESVLPGGA IEGDRDDYAA DATA SEQUENCE RLRRRYPFLT ESLARHYART YGSNSELLLG NAGTVSDLGE DFGHEFYEAE DATA SEQUENCE LKYLVDHEWV RRADDALWRR TKQGMWLNAD QQSRVSQWLV EYTQQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.359 176.300 0.099 0.000 1.140 1 M CA 0.000 55.344 55.300 0.073 0.000 0.988 1 M CB 0.000 32.638 32.600 0.064 0.000 1.302 2 E N 0.270 120.542 120.200 0.121 0.000 2.245 2 E HA -0.209 4.150 4.350 0.014 0.000 0.217 2 E C -0.183 176.528 176.600 0.185 0.000 1.069 2 E CA 2.118 58.627 56.400 0.181 0.000 0.877 2 E CB -0.957 28.847 29.700 0.173 0.000 0.757 2 E HN 0.737 nan 8.360 nan 0.000 0.464 3 T N 2.284 116.923 114.554 0.142 0.000 2.642 3 T HA 0.023 4.382 4.350 0.014 0.000 0.258 3 T C -0.063 174.712 174.700 0.124 0.000 1.022 3 T CA 0.521 62.703 62.100 0.138 0.000 1.266 3 T CB 0.168 69.103 68.868 0.112 0.000 0.987 3 T HN 0.165 nan 8.240 nan 0.000 0.518 4 K N 2.206 122.683 120.400 0.127 0.000 2.098 4 K HA 0.221 4.550 4.320 0.014 0.000 0.258 4 K C 0.900 177.564 176.600 0.107 0.000 0.973 4 K CA -0.745 55.589 56.287 0.078 0.000 0.898 4 K CB 0.895 33.402 32.500 0.010 0.000 1.057 4 K HN 0.247 nan 8.250 nan 0.000 0.447 5 D N 0.902 121.350 120.400 0.080 0.000 2.085 5 D HA -0.063 4.585 4.640 0.014 0.000 0.199 5 D C -0.074 176.323 176.300 0.163 0.000 0.981 5 D CA 1.246 55.336 54.000 0.150 0.000 0.834 5 D CB 0.112 40.903 40.800 -0.016 0.000 0.992 5 D HN 0.168 nan 8.370 nan 0.000 0.457 6 L N 0.303 121.526 121.223 -0.000 0.000 2.436 6 L HA 0.429 4.778 4.340 0.014 0.000 0.268 6 L C -1.430 175.380 176.870 -0.101 0.000 0.974 6 L CA -0.435 54.394 54.840 -0.019 0.000 0.826 6 L CB 2.204 44.205 42.059 -0.097 0.000 1.291 6 L HN -0.182 nan 8.230 nan 0.000 0.406 7 I N 5.173 125.665 120.570 -0.130 0.000 2.404 7 I HA 0.499 4.678 4.170 0.014 0.000 0.293 7 I C -0.885 175.085 176.117 -0.244 0.000 0.992 7 I CA -0.934 60.234 61.300 -0.220 0.000 1.149 7 I CB 2.026 39.892 38.000 -0.224 0.000 1.315 7 I HN 0.277 nan 8.210 nan 0.000 0.446 8 V N 7.470 127.227 119.914 -0.262 0.000 2.384 8 V HA 0.421 4.549 4.120 0.014 0.000 0.287 8 V C 0.051 175.961 176.094 -0.306 0.000 1.020 8 V CA -0.487 61.658 62.300 -0.257 0.000 0.850 8 V CB 1.720 33.415 31.823 -0.212 0.000 0.987 8 V HN 0.462 nan 8.190 nan 0.000 0.436 9 I N 4.607 124.970 120.570 -0.345 0.000 2.307 9 I HA 0.738 4.916 4.170 0.014 0.000 0.289 9 I C 0.645 176.538 176.117 -0.374 0.000 1.021 9 I CA -0.041 61.012 61.300 -0.413 0.000 1.224 9 I CB 1.281 38.918 38.000 -0.605 0.000 1.376 9 I HN 0.862 nan 8.210 nan 0.000 0.470 10 G N 3.477 112.083 108.800 -0.323 0.000 2.944 10 G HA2 0.123 4.091 3.960 0.014 0.000 0.471 10 G HA3 0.123 4.091 3.960 0.014 0.000 0.471 10 G C -0.162 174.596 174.900 -0.236 0.000 1.388 10 G CA -0.562 44.378 45.100 -0.266 0.000 1.087 10 G HN 0.860 nan 8.290 nan 0.000 0.596 11 G N 0.422 109.086 108.800 -0.227 0.000 3.959 11 G HA2 0.651 4.620 3.960 0.014 0.000 0.298 11 G HA3 0.651 4.620 3.960 0.014 0.000 0.298 11 G C 0.785 175.574 174.900 -0.186 0.000 1.211 11 G CA 0.854 45.817 45.100 -0.228 0.000 1.001 11 G HN 1.152 nan 8.290 nan 0.000 0.561 12 G N -0.076 108.630 108.800 -0.155 0.000 2.606 12 G HA2 0.385 4.354 3.960 0.014 0.000 0.262 12 G HA3 0.385 4.354 3.960 0.014 0.000 0.262 12 G C 0.900 175.704 174.900 -0.161 0.000 1.394 12 G CA -0.513 44.509 45.100 -0.130 0.000 1.044 12 G HN 0.066 nan 8.290 nan 0.000 0.553 13 I N 0.034 120.502 120.570 -0.171 0.000 2.226 13 I HA -0.137 4.041 4.170 0.014 0.000 0.245 13 I C 2.145 178.153 176.117 -0.182 0.000 1.100 13 I CA 1.281 62.431 61.300 -0.249 0.000 1.374 13 I CB -0.250 37.579 38.000 -0.285 0.000 1.057 13 I HN 0.358 nan 8.210 nan 0.000 0.413 14 N N 0.648 119.283 118.700 -0.109 0.000 2.171 14 N HA -0.063 4.686 4.740 0.014 0.000 0.184 14 N C 1.887 177.350 175.510 -0.078 0.000 1.021 14 N CA 1.450 54.460 53.050 -0.066 0.000 0.854 14 N CB -0.718 37.722 38.487 -0.077 0.000 0.994 14 N HN 0.533 nan 8.380 nan 0.000 0.426 15 G N 0.605 109.336 108.800 -0.116 0.000 2.403 15 G HA2 -0.083 3.886 3.960 0.014 0.000 0.216 15 G HA3 -0.083 3.886 3.960 0.014 0.000 0.216 15 G C 1.657 176.477 174.900 -0.133 0.000 1.154 15 G CA 0.942 45.961 45.100 -0.137 0.000 0.784 15 G HN 0.412 nan 8.290 nan 0.000 0.538 16 A N 0.888 123.621 122.820 -0.145 0.000 1.898 16 A HA 0.200 4.529 4.320 0.014 0.000 0.216 16 A C 2.673 180.215 177.584 -0.070 0.000 1.181 16 A CA 1.988 53.939 52.037 -0.143 0.000 0.620 16 A CB -0.952 17.938 19.000 -0.183 0.000 0.819 16 A HN 0.471 nan 8.150 nan 0.000 0.442 17 G N -0.154 108.634 108.800 -0.020 0.000 2.408 17 G HA2 -0.133 3.836 3.960 0.014 0.000 0.217 17 G HA3 -0.133 3.836 3.960 0.014 0.000 0.217 17 G C 1.518 176.441 174.900 0.039 0.000 1.150 17 G CA 1.043 46.223 45.100 0.134 0.000 0.776 17 G HN 0.464 nan 8.290 nan 0.000 0.542 18 I N 1.207 121.772 120.570 -0.009 0.000 2.202 18 I HA -0.128 4.051 4.170 0.014 0.000 0.242 18 I C 3.275 179.375 176.117 -0.028 0.000 1.091 18 I CA 0.934 62.215 61.300 -0.031 0.000 1.368 18 I CB -0.173 37.798 38.000 -0.049 0.000 1.058 18 I HN 0.238 nan 8.210 nan 0.000 0.410 19 A N 0.706 123.495 122.820 -0.051 0.000 1.933 19 A HA -0.158 4.171 4.320 0.014 0.000 0.218 19 A C 2.512 180.099 177.584 0.004 0.000 1.175 19 A CA 1.858 53.861 52.037 -0.056 0.000 0.628 19 A CB -0.765 18.171 19.000 -0.106 0.000 0.814 19 A HN 0.438 nan 8.150 nan 0.000 0.444 20 A N -0.276 122.566 122.820 0.036 0.000 1.898 20 A HA -0.173 4.156 4.320 0.014 0.000 0.216 20 A C 1.956 179.692 177.584 0.253 0.000 1.181 20 A CA 1.929 54.042 52.037 0.127 0.000 0.620 20 A CB -0.559 18.507 19.000 0.111 0.000 0.819 20 A HN 0.495 nan 8.150 nan 0.000 0.442 21 D N 0.158 120.639 120.400 0.135 0.000 2.117 21 D HA -0.076 4.573 4.640 0.014 0.000 0.197 21 D C 2.122 178.617 176.300 0.325 0.000 0.987 21 D CA 1.570 55.672 54.000 0.170 0.000 0.829 21 D CB -0.262 40.502 40.800 -0.060 0.000 0.961 21 D HN 0.305 nan 8.370 nan 0.000 0.460 22 A N 1.033 123.934 122.820 0.136 0.000 1.865 22 A HA -0.051 4.278 4.320 0.014 0.000 0.217 22 A C 2.488 180.100 177.584 0.047 0.000 1.191 22 A CA 2.785 54.855 52.037 0.055 0.000 0.623 22 A CB -1.161 17.815 19.000 -0.041 0.000 0.826 22 A HN 0.318 nan 8.150 nan 0.000 0.444 23 A N -0.590 122.263 122.820 0.054 0.000 1.917 23 A HA 0.026 4.354 4.320 0.014 0.000 0.219 23 A C 2.338 179.900 177.584 -0.036 0.000 1.182 23 A CA 2.045 54.087 52.037 0.009 0.000 0.633 23 A CB -1.434 17.584 19.000 0.030 0.000 0.819 23 A HN 0.937 nan 8.150 nan 0.000 0.448 24 G N -1.519 107.305 108.800 0.040 0.000 2.776 24 G HA2 -0.042 3.926 3.960 0.014 0.000 0.209 24 G HA3 -0.042 3.926 3.960 0.014 0.000 0.209 24 G C 1.393 175.983 174.900 -0.515 0.000 1.145 24 G CA 0.364 45.170 45.100 -0.489 0.000 0.791 24 G HN 0.556 nan 8.290 nan 0.000 0.530 25 R N -0.636 119.807 120.500 -0.095 0.000 2.362 25 R HA 0.254 4.602 4.340 0.014 0.000 0.227 25 R C 1.595 177.845 176.300 -0.083 0.000 0.905 25 R CA 0.456 56.524 56.100 -0.054 0.000 1.067 25 R CB 0.582 30.934 30.300 0.086 0.000 1.078 25 R HN 0.309 nan 8.270 nan 0.000 0.516 26 G N 1.132 109.864 108.800 -0.113 0.000 2.176 26 G HA2 -0.230 3.739 3.960 0.014 0.000 0.232 26 G HA3 -0.230 3.739 3.960 0.014 0.000 0.232 26 G C 0.135 174.985 174.900 -0.083 0.000 0.986 26 G CA -0.421 44.624 45.100 -0.091 0.000 0.643 26 G HN 0.116 nan 8.290 nan 0.000 0.522 27 L N 2.095 123.250 121.223 -0.114 0.000 2.417 27 L HA 0.487 4.836 4.340 0.014 0.000 0.268 27 L C 1.130 177.936 176.870 -0.108 0.000 1.158 27 L CA 0.026 54.771 54.840 -0.159 0.000 0.819 27 L CB 1.252 43.127 42.059 -0.306 0.000 1.112 27 L HN 0.371 nan 8.230 nan 0.000 0.458 28 S N 1.898 117.549 115.700 -0.082 0.000 2.422 28 S HA 0.475 4.954 4.470 0.014 0.000 0.283 28 S C -0.306 174.245 174.600 -0.082 0.000 1.163 28 S CA -0.860 57.306 58.200 -0.056 0.000 1.054 28 S CB 0.617 63.806 63.200 -0.019 0.000 0.967 28 S HN 0.305 nan 8.310 nan 0.000 0.499 29 V N 4.062 123.921 119.914 -0.092 0.000 2.715 29 V HA 0.654 4.783 4.120 0.014 0.000 0.310 29 V C -0.446 175.555 176.094 -0.155 0.000 1.054 29 V CA -0.944 61.283 62.300 -0.121 0.000 0.928 29 V CB 1.587 33.345 31.823 -0.108 0.000 1.007 29 V HN 0.855 nan 8.190 nan 0.000 0.437 30 L N 4.658 125.748 121.223 -0.222 0.000 2.406 30 L HA 0.694 5.043 4.340 0.014 0.000 0.272 30 L C -0.745 175.923 176.870 -0.336 0.000 0.980 30 L CA -0.299 54.348 54.840 -0.322 0.000 0.831 30 L CB 1.571 43.326 42.059 -0.507 0.000 1.253 30 L HN 0.808 nan 8.230 nan 0.000 0.406 31 M N 5.898 125.308 119.600 -0.316 0.000 2.294 31 M HA 0.572 5.060 4.480 0.014 0.000 0.335 31 M C -1.871 174.217 176.300 -0.353 0.000 1.079 31 M CA -0.530 54.582 55.300 -0.313 0.000 0.982 31 M CB 1.200 33.636 32.600 -0.275 0.000 1.651 31 M HN 0.613 nan 8.290 nan 0.000 0.437 32 L N 3.562 124.575 121.223 -0.349 0.000 2.346 32 L HA 0.590 4.939 4.340 0.014 0.000 0.276 32 L C -0.847 175.848 176.870 -0.292 0.000 1.006 32 L CA -0.749 53.895 54.840 -0.326 0.000 0.817 32 L CB 1.904 43.773 42.059 -0.318 0.000 1.272 32 L HN 0.617 nan 8.230 nan 0.000 0.421 33 E N 1.602 121.646 120.200 -0.260 0.000 2.241 33 E HA 0.485 4.844 4.350 0.014 0.000 0.263 33 E C 0.125 176.605 176.600 -0.200 0.000 0.882 33 E CA -0.368 55.886 56.400 -0.244 0.000 0.769 33 E CB 2.038 31.590 29.700 -0.247 0.000 1.185 33 E HN 0.591 nan 8.360 nan 0.000 0.415 34 A N 4.235 126.919 122.820 -0.227 0.000 1.940 34 A HA -0.178 4.151 4.320 0.014 0.000 0.219 34 A C 1.536 179.035 177.584 -0.140 0.000 1.176 34 A CA 2.037 53.958 52.037 -0.194 0.000 0.631 34 A CB -0.144 18.684 19.000 -0.285 0.000 0.814 34 A HN 0.698 nan 8.150 nan 0.000 0.446 35 Q N -1.772 117.941 119.800 -0.144 0.000 2.784 35 Q HA 0.245 4.594 4.340 0.014 0.000 0.207 35 Q C -0.937 175.028 176.000 -0.060 0.000 1.021 35 Q CA -0.192 55.561 55.803 -0.082 0.000 0.417 35 Q CB 0.519 29.211 28.738 -0.077 0.000 4.567 35 Q HN 0.390 nan 8.270 nan 0.000 0.306 36 D N -0.140 120.233 120.400 -0.045 0.000 2.299 36 D HA 0.362 5.011 4.640 0.014 0.000 0.243 36 D C -0.898 175.365 176.300 -0.062 0.000 0.982 36 D CA -0.541 53.445 54.000 -0.023 0.000 0.924 36 D CB 1.190 42.010 40.800 0.033 0.000 1.238 36 D HN 0.334 nan 8.370 nan 0.000 0.484 37 L N 1.974 123.152 121.223 -0.074 0.000 2.499 37 L HA 0.276 4.624 4.340 0.014 0.000 0.273 37 L C 1.285 178.118 176.870 -0.063 0.000 1.195 37 L CA 0.340 55.111 54.840 -0.115 0.000 0.882 37 L CB 0.377 42.351 42.059 -0.141 0.000 1.133 37 L HN 0.782 nan 8.230 nan 0.000 0.483 38 A N 1.734 124.505 122.820 -0.081 0.000 2.861 38 A HA -0.271 4.058 4.320 0.014 0.000 0.261 38 A C 1.626 179.199 177.584 -0.019 0.000 1.351 38 A CA 1.041 53.045 52.037 -0.056 0.000 0.904 38 A CB -2.384 16.584 19.000 -0.053 0.000 1.076 38 A HN 1.127 nan 8.150 nan 0.000 0.729 39 C N -2.265 117.027 119.300 -0.014 0.000 2.430 39 C HA 0.439 4.908 4.460 0.014 0.000 0.288 39 C C 1.939 176.952 174.990 0.039 0.000 1.448 39 C CA 0.958 59.985 59.018 0.015 0.000 1.784 39 C CB -1.725 26.016 27.740 0.001 0.000 1.776 39 C HN 1.837 nan 8.230 nan 0.000 0.547 40 A N 1.205 124.055 122.820 0.051 0.000 3.411 40 A HA 0.452 4.781 4.320 0.014 0.000 0.197 40 A C 1.871 179.480 177.584 0.041 0.000 1.630 40 A CA 0.779 52.878 52.037 0.104 0.000 1.807 40 A CB -1.038 18.127 19.000 0.275 0.000 1.519 40 A HN 0.287 nan 8.150 nan 0.000 0.502 41 T N 0.996 115.574 114.554 0.039 0.000 2.759 41 T HA -0.106 4.253 4.350 0.014 0.000 0.269 41 T C 1.815 176.500 174.700 -0.025 0.000 1.042 41 T CA 2.008 64.103 62.100 -0.007 0.000 1.140 41 T CB -0.384 68.474 68.868 -0.017 0.000 0.864 41 T HN 0.355 nan 8.240 nan 0.000 0.455 42 S N 1.292 116.970 115.700 -0.037 0.000 2.547 42 S HA -0.005 4.474 4.470 0.014 0.000 0.235 42 S C 1.971 176.520 174.600 -0.084 0.000 0.980 42 S CA 0.825 58.982 58.200 -0.072 0.000 0.941 42 S CB -0.230 62.912 63.200 -0.096 0.000 0.763 42 S HN 0.735 nan 8.310 nan 0.000 0.532 43 S N -0.403 115.257 115.700 -0.066 0.000 2.629 43 S HA 0.528 5.007 4.470 0.014 0.000 0.236 43 S C 0.744 175.256 174.600 -0.148 0.000 1.010 43 S CA -0.011 58.137 58.200 -0.086 0.000 0.981 43 S CB 0.624 63.805 63.200 -0.032 0.000 0.919 43 S HN 0.312 nan 8.310 nan 0.000 0.514 44 A N 1.690 124.459 122.820 -0.084 0.000 2.637 44 A HA 0.661 4.990 4.320 0.014 0.000 0.293 44 A C 0.789 178.431 177.584 0.096 0.000 1.216 44 A CA -0.084 51.959 52.037 0.009 0.000 0.956 44 A CB -0.184 18.857 19.000 0.068 0.000 1.174 44 A HN 0.584 nan 8.150 nan 0.000 0.525 45 S N -1.149 114.533 115.700 -0.029 0.000 2.694 45 S HA 0.382 4.861 4.470 0.014 0.000 0.278 45 S C 0.838 175.363 174.600 -0.125 0.000 1.152 45 S CA 0.303 58.490 58.200 -0.020 0.000 1.010 45 S CB 1.057 64.216 63.200 -0.068 0.000 1.104 45 S HN 0.134 nan 8.310 nan 0.000 0.547 46 S N 0.218 115.882 115.700 -0.060 0.000 2.603 46 S HA 0.173 4.652 4.470 0.014 0.000 0.220 46 S C -0.126 174.347 174.600 -0.213 0.000 0.967 46 S CA -0.091 58.067 58.200 -0.071 0.000 0.920 46 S CB -0.774 62.461 63.200 0.059 0.000 0.773 46 S HN 0.758 nan 8.310 nan 0.000 0.529 47 K N 0.710 120.929 120.400 -0.303 0.000 3.096 47 K HA -0.161 4.168 4.320 0.014 0.000 0.266 47 K C -0.894 175.297 176.600 -0.682 0.000 1.043 47 K CA 0.508 56.455 56.287 -0.567 0.000 0.758 47 K CB -1.848 30.188 32.500 -0.775 0.000 1.260 47 K HN 0.367 nan 8.250 nan 0.000 0.481 48 L N 0.469 121.463 121.223 -0.381 0.000 2.362 48 L HA 0.541 4.889 4.340 0.014 0.000 0.271 48 L C 0.264 177.100 176.870 -0.056 0.000 1.002 48 L CA -1.065 53.617 54.840 -0.262 0.000 0.818 48 L CB 1.648 43.476 42.059 -0.384 0.000 1.298 48 L HN 0.047 nan 8.230 nan 0.000 0.420 49 I N 3.740 124.304 120.570 -0.012 0.000 2.313 49 I HA 0.231 4.410 4.170 0.014 0.000 0.286 49 I C -0.371 175.831 176.117 0.142 0.000 1.091 49 I CA -0.402 60.935 61.300 0.061 0.000 1.216 49 I CB -0.117 37.882 38.000 -0.001 0.000 1.434 49 I HN 0.580 nan 8.210 nan 0.000 0.487 50 H N 3.169 122.222 119.070 -0.028 0.000 2.834 50 H HA 0.500 5.064 4.556 0.014 0.000 0.369 50 H C 0.582 175.941 175.328 0.052 0.000 1.174 50 H CA -1.423 54.627 56.048 0.005 0.000 1.165 50 H CB 1.363 31.109 29.762 -0.027 0.000 1.820 50 H HN 0.378 nan 8.280 nan 0.000 0.558 51 G N -0.829 107.962 108.800 -0.015 0.000 2.623 51 G HA2 0.279 4.248 3.960 0.014 0.000 0.214 51 G HA3 0.279 4.248 3.960 0.014 0.000 0.214 51 G C 0.771 175.687 174.900 0.027 0.000 1.138 51 G CA 0.092 45.127 45.100 -0.110 0.000 0.794 51 G HN 1.345 nan 8.290 nan 0.000 0.535 52 G N -0.096 108.737 108.800 0.054 0.000 2.756 52 G HA2 -0.197 3.772 3.960 0.014 0.000 0.272 52 G HA3 -0.197 3.772 3.960 0.014 0.000 0.272 52 G C 0.740 175.544 174.900 -0.161 0.000 1.128 52 G CA 0.143 45.111 45.100 -0.220 0.000 1.145 52 G HN 0.312 nan 8.290 nan 0.000 0.545 53 L N 0.283 121.404 121.223 -0.170 0.000 2.021 53 L HA -0.200 4.149 4.340 0.014 0.000 0.215 53 L C 3.216 179.906 176.870 -0.300 0.000 1.074 53 L CA 2.741 57.303 54.840 -0.463 0.000 0.760 53 L CB -0.154 41.431 42.059 -0.789 0.000 0.889 53 L HN 0.786 nan 8.230 nan 0.000 0.433 54 R N -1.401 118.907 120.500 -0.321 0.000 2.193 54 R HA -0.208 4.140 4.340 0.014 0.000 0.229 54 R C 1.827 178.115 176.300 -0.020 0.000 1.110 54 R CA 1.402 57.384 56.100 -0.197 0.000 0.988 54 R CB -0.625 29.574 30.300 -0.168 0.000 0.871 54 R HN 0.328 nan 8.270 nan 0.000 0.458 55 Y N 0.511 120.832 120.300 0.035 0.000 2.509 55 Y HA 0.009 4.568 4.550 0.015 0.000 0.293 55 Y C 1.858 177.735 175.900 -0.038 0.000 1.133 55 Y CA -0.284 57.828 58.100 0.020 0.000 1.283 55 Y CB -0.380 38.066 38.460 -0.022 0.000 1.001 55 Y HN 0.010 nan 8.280 nan 0.000 0.555 56 L N 0.410 121.667 121.223 0.056 0.000 2.131 56 L HA -0.183 4.166 4.340 0.014 0.000 0.210 56 L C 2.228 178.996 176.870 -0.169 0.000 1.092 56 L CA 1.580 56.401 54.840 -0.033 0.000 0.759 56 L CB -0.781 41.303 42.059 0.042 0.000 0.903 56 L HN 0.222 nan 8.230 nan 0.000 0.435 57 E N -1.650 118.435 120.200 -0.192 0.000 2.268 57 E HA -0.193 4.165 4.350 0.014 0.000 0.195 57 E C 1.014 177.144 176.600 -0.784 0.000 0.995 57 E CA 0.708 56.854 56.400 -0.424 0.000 0.836 57 E CB 0.105 29.587 29.700 -0.363 0.000 0.763 57 E HN 0.629 nan 8.360 nan 0.000 0.491 58 H N -1.915 116.886 119.070 -0.448 0.000 2.549 58 H HA 0.160 4.725 4.556 0.015 0.000 0.279 58 H C -0.700 174.374 175.328 -0.423 0.000 1.018 58 H CA 0.087 55.872 56.048 -0.437 0.000 1.175 58 H CB 0.135 29.783 29.762 -0.190 0.000 1.485 58 H HN 0.160 nan 8.280 nan 0.000 0.543 59 Y N -0.028 120.105 120.300 -0.279 0.000 4.032 59 Y HA -0.229 4.330 4.550 0.014 0.000 0.230 59 Y C -0.075 175.402 175.900 -0.705 0.000 1.202 59 Y CA -0.194 57.480 58.100 -0.711 0.000 1.878 59 Y CB -1.607 36.660 38.460 -0.321 0.000 1.586 59 Y HN 0.365 nan 8.280 nan 0.000 0.673 60 E N 0.680 120.676 120.200 -0.340 0.000 2.392 60 E HA 0.088 4.447 4.350 0.014 0.000 0.307 60 E C 0.686 177.220 176.600 -0.109 0.000 1.505 60 E CA -0.047 56.252 56.400 -0.168 0.000 1.716 60 E CB -0.403 29.242 29.700 -0.093 0.000 1.450 60 E HN 0.442 nan 8.360 nan 0.000 0.484 61 F N 0.528 120.547 119.950 0.115 0.000 2.171 61 F HA -0.162 4.373 4.527 0.014 0.000 0.300 61 F C 2.513 178.341 175.800 0.047 0.000 1.090 61 F CA 0.966 59.019 58.000 0.089 0.000 1.293 61 F CB -0.411 38.637 39.000 0.080 0.000 1.013 61 F HN 0.233 nan 8.300 nan 0.000 0.486 62 R N 0.774 121.384 120.500 0.184 0.000 2.080 62 R HA -0.169 4.180 4.340 0.014 0.000 0.236 62 R C 2.366 178.699 176.300 0.054 0.000 1.137 62 R CA 1.442 57.592 56.100 0.084 0.000 0.943 62 R CB -0.838 29.469 30.300 0.011 0.000 0.846 62 R HN 0.346 nan 8.270 nan 0.000 0.431 63 L N 0.830 122.065 121.223 0.021 0.000 1.976 63 L HA -0.175 4.173 4.340 0.014 0.000 0.209 63 L C 2.381 179.293 176.870 0.070 0.000 1.071 63 L CA 1.635 56.486 54.840 0.018 0.000 0.746 63 L CB -0.433 41.598 42.059 -0.046 0.000 0.890 63 L HN 0.115 nan 8.230 nan 0.000 0.432 64 V N -0.703 119.279 119.914 0.113 0.000 2.287 64 V HA -0.314 3.814 4.120 0.014 0.000 0.248 64 V C 2.788 178.921 176.094 0.064 0.000 1.053 64 V CA 1.963 64.341 62.300 0.129 0.000 1.027 64 V CB -0.700 31.242 31.823 0.198 0.000 0.646 64 V HN 0.535 nan 8.190 nan 0.000 0.447 65 S N -0.550 115.206 115.700 0.094 0.000 2.353 65 S HA -0.315 4.164 4.470 0.014 0.000 0.222 65 S C 2.138 176.749 174.600 0.018 0.000 1.035 65 S CA 2.294 60.526 58.200 0.054 0.000 1.025 65 S CB -0.322 62.926 63.200 0.080 0.000 0.902 65 S HN 0.758 nan 8.310 nan 0.000 0.440 66 E N 0.265 120.488 120.200 0.038 0.000 2.077 66 E HA -0.108 4.251 4.350 0.014 0.000 0.193 66 E C 2.109 178.713 176.600 0.006 0.000 0.989 66 E CA 1.085 57.506 56.400 0.035 0.000 0.800 66 E CB -0.472 29.277 29.700 0.082 0.000 0.746 66 E HN 0.591 nan 8.360 nan 0.000 0.452 67 A N 1.084 123.907 122.820 0.004 0.000 1.902 67 A HA -0.152 4.177 4.320 0.014 0.000 0.217 67 A C 2.223 179.761 177.584 -0.076 0.000 1.181 67 A CA 1.264 53.282 52.037 -0.031 0.000 0.623 67 A CB -0.699 18.277 19.000 -0.040 0.000 0.818 67 A HN 0.328 nan 8.150 nan 0.000 0.443 68 L N -0.790 120.364 121.223 -0.115 0.000 2.012 68 L HA -0.223 4.125 4.340 0.014 0.000 0.210 68 L C 3.111 179.913 176.870 -0.114 0.000 1.073 68 L CA 1.225 55.957 54.840 -0.181 0.000 0.748 68 L CB -0.589 41.316 42.059 -0.257 0.000 0.891 68 L HN 0.440 nan 8.230 nan 0.000 0.431 69 A N -0.679 122.094 122.820 -0.078 0.000 1.933 69 A HA -0.178 4.150 4.320 0.014 0.000 0.218 69 A C 2.180 179.732 177.584 -0.053 0.000 1.175 69 A CA 1.354 53.357 52.037 -0.056 0.000 0.628 69 A CB -0.325 18.652 19.000 -0.038 0.000 0.814 69 A HN 0.336 nan 8.150 nan 0.000 0.444 70 E N 0.054 120.220 120.200 -0.056 0.000 2.268 70 E HA -0.128 4.230 4.350 0.014 0.000 0.195 70 E C 2.120 178.692 176.600 -0.046 0.000 0.995 70 E CA 0.525 56.887 56.400 -0.064 0.000 0.836 70 E CB -0.296 29.358 29.700 -0.077 0.000 0.763 70 E HN 0.633 nan 8.360 nan 0.000 0.491 71 R N 0.706 121.183 120.500 -0.039 0.000 2.115 71 R HA -0.184 4.164 4.340 0.014 0.000 0.239 71 R C 2.292 178.589 176.300 -0.004 0.000 1.133 71 R CA 1.701 57.791 56.100 -0.018 0.000 0.935 71 R CB -0.316 29.972 30.300 -0.021 0.000 0.853 71 R HN 0.207 nan 8.270 nan 0.000 0.433 72 E N 0.055 120.249 120.200 -0.009 0.000 2.153 72 E HA -0.140 4.218 4.350 0.014 0.000 0.194 72 E C 2.018 178.619 176.600 0.001 0.000 0.988 72 E CA 1.077 57.480 56.400 0.004 0.000 0.811 72 E CB 0.123 29.823 29.700 -0.000 0.000 0.746 72 E HN 0.108 nan 8.360 nan 0.000 0.466 73 V N 1.137 121.040 119.914 -0.019 0.000 2.358 73 V HA -0.253 3.875 4.120 0.014 0.000 0.246 73 V C 2.208 178.292 176.094 -0.016 0.000 1.047 73 V CA 1.405 63.687 62.300 -0.030 0.000 1.035 73 V CB -0.365 31.418 31.823 -0.067 0.000 0.658 73 V HN 0.321 nan 8.190 nan 0.000 0.452 74 L N -1.049 120.169 121.223 -0.009 0.000 2.093 74 L HA -0.157 4.192 4.340 0.014 0.000 0.208 74 L C 2.459 179.354 176.870 0.041 0.000 1.085 74 L CA 0.933 55.787 54.840 0.024 0.000 0.755 74 L CB -0.589 41.493 42.059 0.037 0.000 0.904 74 L HN 0.313 nan 8.230 nan 0.000 0.435 75 L N 0.100 121.347 121.223 0.040 0.000 2.042 75 L HA -0.199 4.150 4.340 0.014 0.000 0.210 75 L C 2.614 179.526 176.870 0.070 0.000 1.076 75 L CA 1.752 56.630 54.840 0.063 0.000 0.749 75 L CB -0.634 41.464 42.059 0.066 0.000 0.893 75 L HN 0.153 nan 8.230 nan 0.000 0.432 76 K N -1.245 119.186 120.400 0.052 0.000 2.103 76 K HA -0.033 4.295 4.320 0.014 0.000 0.204 76 K C 2.036 178.672 176.600 0.060 0.000 1.052 76 K CA 1.178 57.496 56.287 0.052 0.000 0.945 76 K CB -0.282 32.239 32.500 0.035 0.000 0.722 76 K HN 0.370 nan 8.250 nan 0.000 0.443 77 M N 0.132 119.766 119.600 0.056 0.000 2.175 77 M HA -0.063 4.425 4.480 0.014 0.000 0.264 77 M C 0.818 177.190 176.300 0.119 0.000 1.063 77 M CA 1.131 56.473 55.300 0.070 0.000 1.119 77 M CB 0.136 32.767 32.600 0.052 0.000 1.377 77 M HN -0.024 nan 8.290 nan 0.000 0.415 78 A N 0.169 123.065 122.820 0.126 0.000 3.370 78 A HA 0.366 4.694 4.320 0.014 0.000 0.295 78 A C -2.055 175.612 177.584 0.138 0.000 1.030 78 A CA -0.943 51.204 52.037 0.182 0.000 0.883 78 A CB -0.075 18.968 19.000 0.073 0.000 1.191 78 A HN 0.081 nan 8.150 nan 0.000 0.507 79 P HA -0.178 nan 4.420 nan 0.000 0.230 79 P C 0.902 178.306 177.300 0.173 0.000 1.158 79 P CA 1.187 64.382 63.100 0.159 0.000 0.769 79 P CB -0.170 31.602 31.700 0.120 0.000 0.807 80 H N 0.406 119.501 119.070 0.042 0.000 2.502 80 H HA 0.074 4.638 4.556 0.014 0.000 0.283 80 H C 1.636 177.033 175.328 0.114 0.000 1.015 80 H CA 0.816 56.883 56.048 0.030 0.000 1.298 80 H CB -0.752 28.986 29.762 -0.039 0.000 1.411 80 H HN 0.278 nan 8.280 nan 0.000 0.556 81 I N -2.554 117.807 120.570 -0.348 0.000 4.240 81 I HA 0.648 4.827 4.170 0.014 0.000 0.331 81 I C 0.521 176.741 176.117 0.173 0.000 1.381 81 I CA -0.563 60.677 61.300 -0.100 0.000 1.136 81 I CB 0.782 38.591 38.000 -0.318 0.000 1.137 81 I HN 0.187 nan 8.210 nan 0.000 0.411 82 A N 1.885 124.809 122.820 0.174 0.000 2.401 82 A HA 0.893 5.221 4.320 0.014 0.000 0.310 82 A C -0.965 176.828 177.584 0.350 0.000 1.075 82 A CA -0.432 51.711 52.037 0.177 0.000 0.746 82 A CB 1.386 20.409 19.000 0.038 0.000 1.277 82 A HN 0.427 nan 8.150 nan 0.000 0.425 83 F N -1.269 118.793 119.950 0.186 0.000 2.719 83 F HA 0.730 5.266 4.527 0.014 0.000 0.309 83 F C -3.438 172.467 175.800 0.174 0.000 1.138 83 F CA -2.552 55.541 58.000 0.154 0.000 0.943 83 F CB 0.528 39.609 39.000 0.135 0.000 1.304 83 F HN 0.287 nan 8.300 nan 0.000 0.445 84 P HA 0.382 nan 4.420 nan 0.000 0.271 84 P C -0.939 176.508 177.300 0.245 0.000 1.218 84 P CA -0.151 63.072 63.100 0.206 0.000 0.780 84 P CB 0.808 32.623 31.700 0.190 0.000 0.901 85 M N 1.836 121.554 119.600 0.196 0.000 2.531 85 M HA 0.442 4.931 4.480 0.014 0.000 0.286 85 M C -1.327 175.050 176.300 0.128 0.000 1.232 85 M CA -0.748 54.632 55.300 0.134 0.000 0.877 85 M CB 1.993 34.622 32.600 0.049 0.000 1.726 85 M HN 0.077 nan 8.290 nan 0.000 0.463 86 R N 2.401 122.878 120.500 -0.037 0.000 2.460 86 R HA 0.580 4.929 4.340 0.014 0.000 0.303 86 R C -1.840 174.311 176.300 -0.247 0.000 0.968 86 R CA -0.285 55.803 56.100 -0.020 0.000 0.889 86 R CB 1.111 31.403 30.300 -0.013 0.000 1.123 86 R HN 0.541 nan 8.270 nan 0.000 0.455 87 F N 1.716 121.460 119.950 -0.344 0.000 2.482 87 F HA 0.488 5.024 4.527 0.014 0.000 0.331 87 F C 0.787 176.407 175.800 -0.300 0.000 1.115 87 F CA -0.747 57.023 58.000 -0.382 0.000 0.955 87 F CB 1.490 40.098 39.000 -0.653 0.000 1.136 87 F HN 0.080 nan 8.300 nan 0.000 0.452 88 R N 3.018 123.444 120.500 -0.123 0.000 2.295 88 R HA 0.534 4.882 4.340 0.014 0.000 0.324 88 R C -1.351 175.031 176.300 0.136 0.000 0.968 88 R CA -1.012 55.035 56.100 -0.088 0.000 0.837 88 R CB 1.669 31.667 30.300 -0.504 0.000 1.133 88 R HN 0.463 nan 8.270 nan 0.000 0.450 89 L N 5.948 127.363 121.223 0.320 0.000 2.283 89 L HA 0.434 4.782 4.340 0.014 0.000 0.281 89 L C -2.530 174.570 176.870 0.384 0.000 1.033 89 L CA -2.326 52.731 54.840 0.361 0.000 0.848 89 L CB 1.063 43.375 42.059 0.421 0.000 1.226 89 L HN 0.389 nan 8.230 nan 0.000 0.429 90 P HA 0.017 nan 4.420 nan 0.000 0.268 90 P C -0.994 176.512 177.300 0.343 0.000 1.204 90 P CA 0.189 63.460 63.100 0.284 0.000 0.768 90 P CB 0.229 32.004 31.700 0.125 0.000 0.842 91 H N 4.246 123.439 119.070 0.206 0.000 2.646 91 H HA 0.276 4.841 4.556 0.014 0.000 0.325 91 H C -0.077 175.343 175.328 0.154 0.000 1.075 91 H CA -0.446 55.722 56.048 0.200 0.000 1.421 91 H CB 0.539 30.375 29.762 0.124 0.000 1.461 91 H HN 0.300 nan 8.280 nan 0.000 0.525 92 R N 6.455 126.916 120.500 -0.064 0.000 2.629 92 R HA 0.140 4.489 4.340 0.014 0.000 0.275 92 R C -2.111 174.079 176.300 -0.184 0.000 1.719 92 R CA -1.617 54.433 56.100 -0.083 0.000 1.472 92 R CB 1.464 31.818 30.300 0.090 0.000 1.237 92 R HN 0.611 nan 8.270 nan 0.000 0.589 93 P HA -0.251 nan 4.420 nan 0.000 0.218 93 P C 0.858 178.148 177.300 -0.016 0.000 1.146 93 P CA 1.483 64.451 63.100 -0.221 0.000 0.813 93 P CB 0.048 31.631 31.700 -0.194 0.000 0.778 94 H N -0.978 118.029 119.070 -0.105 0.000 2.556 94 H HA 0.147 4.712 4.556 0.014 0.000 0.268 94 H C 1.547 176.847 175.328 -0.047 0.000 0.996 94 H CA 0.388 56.402 56.048 -0.057 0.000 1.157 94 H CB -0.744 28.984 29.762 -0.056 0.000 1.355 94 H HN 0.196 nan 8.280 nan 0.000 0.597 95 L N -0.368 120.597 121.223 -0.431 0.000 2.515 95 L HA 0.326 4.675 4.340 0.014 0.000 0.202 95 L C 0.521 177.271 176.870 -0.201 0.000 1.056 95 L CA 0.142 54.744 54.840 -0.397 0.000 0.847 95 L CB 0.399 42.233 42.059 -0.375 0.000 1.131 95 L HN -0.039 nan 8.230 nan 0.000 0.484 96 R N 0.665 121.081 120.500 -0.140 0.000 2.533 96 R HA 0.330 4.678 4.340 0.014 0.000 0.288 96 R C -2.660 173.591 176.300 -0.082 0.000 1.039 96 R CA -1.669 54.345 56.100 -0.142 0.000 0.909 96 R CB 2.174 32.386 30.300 -0.146 0.000 1.195 96 R HN -0.139 nan 8.270 nan 0.000 0.438 97 P HA 0.020 nan 4.420 nan 0.000 0.272 97 P C 0.190 177.379 177.300 -0.184 0.000 1.223 97 P CA 0.037 63.056 63.100 -0.136 0.000 0.784 97 P CB 1.173 32.703 31.700 -0.284 0.000 0.923 98 A N 4.310 127.199 122.820 0.115 0.000 1.908 98 A HA -0.173 4.156 4.320 0.014 0.000 0.218 98 A C 2.037 179.574 177.584 -0.078 0.000 1.181 98 A CA 1.693 53.736 52.037 0.009 0.000 0.627 98 A CB -1.801 17.249 19.000 0.083 0.000 0.818 98 A HN 0.840 nan 8.150 nan 0.000 0.445 99 W N -0.825 120.489 121.300 0.024 0.000 2.374 99 W HA -0.160 4.509 4.660 0.014 0.000 0.288 99 W C 1.901 178.399 176.519 -0.035 0.000 1.218 99 W CA 1.296 58.636 57.345 -0.008 0.000 1.245 99 W CB -0.964 28.501 29.460 0.008 0.000 1.126 99 W HN 0.402 nan 8.180 nan 0.000 0.545 100 M N 0.837 119.873 119.600 -0.939 0.000 2.156 100 M HA -0.161 4.328 4.480 0.014 0.000 0.264 100 M C 2.031 178.080 176.300 -0.419 0.000 1.067 100 M CA 1.654 56.441 55.300 -0.855 0.000 1.131 100 M CB -0.341 31.583 32.600 -1.127 0.000 1.368 100 M HN -0.218 nan 8.290 nan 0.000 0.416 101 I N 0.672 120.979 120.570 -0.438 0.000 2.163 101 I HA -0.282 3.897 4.170 0.014 0.000 0.243 101 I C 2.393 178.235 176.117 -0.458 0.000 1.085 101 I CA 1.611 62.614 61.300 -0.495 0.000 1.347 101 I CB -1.476 36.061 38.000 -0.772 0.000 1.044 101 I HN 0.412 nan 8.210 nan 0.000 0.408 102 R N 0.476 120.763 120.500 -0.356 0.000 2.081 102 R HA -0.106 4.243 4.340 0.014 0.000 0.235 102 R C 2.354 178.646 176.300 -0.014 0.000 1.131 102 R CA 1.211 57.209 56.100 -0.171 0.000 0.960 102 R CB -0.311 29.964 30.300 -0.043 0.000 0.856 102 R HN 0.345 nan 8.270 nan 0.000 0.436 103 I N 0.131 120.709 120.570 0.014 0.000 2.179 103 I HA -0.194 3.984 4.170 0.014 0.000 0.242 103 I C 2.586 178.783 176.117 0.134 0.000 1.088 103 I CA 1.521 62.884 61.300 0.104 0.000 1.357 103 I CB -0.770 37.307 38.000 0.128 0.000 1.051 103 I HN 0.311 nan 8.210 nan 0.000 0.409 104 G N 1.091 109.896 108.800 0.010 0.000 2.446 104 G HA2 -0.223 3.745 3.960 0.014 0.000 0.217 104 G HA3 -0.223 3.745 3.960 0.014 0.000 0.217 104 G C 1.537 176.431 174.900 -0.010 0.000 1.168 104 G CA 0.513 45.605 45.100 -0.012 0.000 0.771 104 G HN 0.153 nan 8.290 nan 0.000 0.551 105 L N -0.381 120.789 121.223 -0.087 0.000 2.131 105 L HA 0.107 4.456 4.340 0.014 0.000 0.210 105 L C 2.382 179.306 176.870 0.090 0.000 1.092 105 L CA 0.926 55.727 54.840 -0.065 0.000 0.759 105 L CB -0.963 41.027 42.059 -0.115 0.000 0.903 105 L HN 0.287 nan 8.230 nan 0.000 0.435 106 F N -0.164 119.808 119.950 0.037 0.000 2.102 106 F HA -0.255 4.280 4.527 0.015 0.000 0.298 106 F C 2.461 178.364 175.800 0.171 0.000 1.105 106 F CA 1.618 59.697 58.000 0.132 0.000 1.239 106 F CB -0.149 38.945 39.000 0.157 0.000 0.991 106 F HN 0.012 nan 8.300 nan 0.000 0.474 107 M N -1.422 118.341 119.600 0.272 0.000 2.117 107 M HA -0.248 4.240 4.480 0.014 0.000 0.262 107 M C 2.111 178.464 176.300 0.089 0.000 1.065 107 M CA 1.724 57.136 55.300 0.187 0.000 1.114 107 M CB -0.954 31.813 32.600 0.279 0.000 1.361 107 M HN 0.195 nan 8.290 nan 0.000 0.408 108 Y N 1.536 121.801 120.300 -0.058 0.000 2.207 108 Y HA -0.269 4.290 4.550 0.015 0.000 0.287 108 Y C 2.050 177.858 175.900 -0.154 0.000 1.156 108 Y CA 1.682 59.724 58.100 -0.098 0.000 1.182 108 Y CB -0.281 38.086 38.460 -0.156 0.000 0.979 108 Y HN 0.264 nan 8.280 nan 0.000 0.521 109 D N -2.212 118.074 120.400 -0.189 0.000 2.289 109 D HA -0.085 4.563 4.640 0.014 0.000 0.207 109 D C 1.502 177.397 176.300 -0.674 0.000 0.966 109 D CA 1.138 54.867 54.000 -0.452 0.000 0.868 109 D CB -0.005 40.434 40.800 -0.602 0.000 0.943 109 D HN 0.530 nan 8.370 nan 0.000 0.514 110 H N -0.868 118.040 119.070 -0.270 0.000 3.058 110 H HA 0.132 4.697 4.556 0.014 0.000 0.258 110 H C 1.741 176.979 175.328 -0.150 0.000 1.015 110 H CA -0.252 55.641 56.048 -0.260 0.000 1.210 110 H CB 0.497 29.986 29.762 -0.455 0.000 1.481 110 H HN -0.005 nan 8.280 nan 0.000 0.492 111 L N 1.263 122.471 121.223 -0.025 0.000 2.261 111 L HA 0.000 4.349 4.340 0.014 0.000 0.216 111 L C 1.235 178.090 176.870 -0.025 0.000 1.114 111 L CA 1.117 55.958 54.840 0.000 0.000 0.777 111 L CB -0.515 41.566 42.059 0.036 0.000 0.910 111 L HN 0.181 nan 8.230 nan 0.000 0.440 112 G N -2.977 105.783 108.800 -0.066 0.000 2.569 112 G HA2 0.381 4.349 3.960 0.014 0.000 0.300 112 G HA3 0.381 4.349 3.960 0.014 0.000 0.300 112 G C 0.480 175.349 174.900 -0.051 0.000 1.269 112 G CA -0.505 44.557 45.100 -0.064 0.000 0.959 112 G HN -0.055 nan 8.290 nan 0.000 0.478 113 K N -0.258 120.121 120.400 -0.036 0.000 1.980 113 K HA -0.122 4.207 4.320 0.014 0.000 0.223 113 K C 0.889 177.473 176.600 -0.027 0.000 1.052 113 K CA 1.506 57.780 56.287 -0.021 0.000 0.974 113 K CB -0.155 32.335 32.500 -0.016 0.000 0.734 113 K HN 0.516 nan 8.250 nan 0.000 0.447 114 R N 0.348 120.827 120.500 -0.035 0.000 2.496 114 R HA -0.168 4.180 4.340 0.014 0.000 0.326 114 R C -0.165 176.130 176.300 -0.009 0.000 1.032 114 R CA 0.674 56.755 56.100 -0.032 0.000 0.827 114 R CB -1.288 28.974 30.300 -0.064 0.000 2.368 114 R HN 0.406 nan 8.270 nan 0.000 0.490 115 T N -0.467 114.088 114.554 0.002 0.000 3.044 115 T HA 0.182 4.540 4.350 0.014 0.000 0.260 115 T C 1.097 175.809 174.700 0.021 0.000 1.019 115 T CA 0.786 62.894 62.100 0.013 0.000 0.921 115 T CB 0.186 69.062 68.868 0.013 0.000 1.053 115 T HN 0.695 nan 8.240 nan 0.000 0.533 116 S N -0.317 115.397 115.700 0.024 0.000 3.265 116 S HA 0.384 4.862 4.470 0.014 0.000 0.259 116 S C 0.202 174.828 174.600 0.043 0.000 1.089 116 S CA -0.432 57.789 58.200 0.036 0.000 0.811 116 S CB 0.021 63.246 63.200 0.041 0.000 0.858 116 S HN 0.180 nan 8.310 nan 0.000 0.452 117 L N 4.156 125.403 121.223 0.041 0.000 2.499 117 L HA 0.414 4.762 4.340 0.014 0.000 0.273 117 L C -2.338 174.562 176.870 0.050 0.000 1.195 117 L CA -0.901 53.972 54.840 0.055 0.000 0.882 117 L CB -0.641 41.448 42.059 0.051 0.000 1.133 117 L HN 0.208 nan 8.230 nan 0.000 0.483 118 P HA 0.135 nan 4.420 nan 0.000 0.271 118 P C 0.178 177.519 177.300 0.069 0.000 1.233 118 P CA -0.257 62.882 63.100 0.065 0.000 0.789 118 P CB 0.612 32.357 31.700 0.075 0.000 0.951 119 G N -0.012 108.824 108.800 0.060 0.000 2.547 119 G HA2 0.436 4.405 3.960 0.014 0.000 0.291 119 G HA3 0.436 4.405 3.960 0.014 0.000 0.291 119 G C -0.255 174.710 174.900 0.110 0.000 1.211 119 G CA -0.384 44.749 45.100 0.054 0.000 0.950 119 G HN 0.575 nan 8.290 nan 0.000 0.504 120 S N -1.186 114.591 115.700 0.129 0.000 2.593 120 S HA 0.629 5.107 4.470 0.014 0.000 0.269 120 S C 0.312 175.010 174.600 0.164 0.000 1.334 120 S CA 0.333 58.646 58.200 0.189 0.000 1.015 120 S CB 1.266 64.580 63.200 0.190 0.000 0.912 120 S HN 1.336 nan 8.310 nan 0.000 0.541 121 T N -1.978 112.688 114.554 0.187 0.000 2.816 121 T HA 0.743 5.101 4.350 0.014 0.000 0.299 121 T C 0.049 174.855 174.700 0.177 0.000 1.230 121 T CA -0.560 61.630 62.100 0.149 0.000 1.007 121 T CB 1.046 69.969 68.868 0.092 0.000 1.289 121 T HN 1.031 nan 8.240 nan 0.000 0.508 122 G N -0.013 108.850 108.800 0.104 0.000 2.477 122 G HA2 0.711 4.680 3.960 0.014 0.000 0.304 122 G HA3 0.711 4.680 3.960 0.014 0.000 0.304 122 G C -1.165 173.652 174.900 -0.138 0.000 1.175 122 G CA -1.025 44.079 45.100 0.007 0.000 0.907 122 G HN 0.855 nan 8.290 nan 0.000 0.509 123 L N -0.274 120.755 121.223 -0.325 0.000 2.415 123 L HA 0.629 4.977 4.340 0.014 0.000 0.256 123 L C -0.304 176.221 176.870 -0.576 0.000 1.010 123 L CA -0.969 53.606 54.840 -0.441 0.000 0.826 123 L CB 2.754 44.478 42.059 -0.559 0.000 1.405 123 L HN 0.425 nan 8.230 nan 0.000 0.410 124 R N 1.124 121.272 120.500 -0.586 0.000 2.575 124 R HA 0.588 4.936 4.340 0.014 0.000 0.293 124 R C -1.765 174.213 176.300 -0.538 0.000 0.983 124 R CA -0.652 55.172 56.100 -0.460 0.000 0.887 124 R CB 2.310 32.480 30.300 -0.217 0.000 1.184 124 R HN 0.256 nan 8.270 nan 0.000 0.445 125 F N 0.607 120.535 119.950 -0.036 0.000 2.427 125 F HA 0.503 5.039 4.527 0.014 0.000 0.346 125 F C 1.093 176.878 175.800 -0.024 0.000 1.120 125 F CA -0.476 57.510 58.000 -0.025 0.000 1.033 125 F CB 1.838 40.821 39.000 -0.028 0.000 1.126 125 F HN 0.561 nan 8.300 nan 0.000 0.462 126 G N 0.665 109.555 108.800 0.150 0.000 2.642 126 G HA2 0.502 4.471 3.960 0.014 0.000 0.291 126 G HA3 0.502 4.471 3.960 0.014 0.000 0.291 126 G C 0.605 175.545 174.900 0.068 0.000 1.345 126 G CA -0.374 44.774 45.100 0.079 0.000 1.043 126 G HN 0.783 nan 8.290 nan 0.000 0.528 127 A N -0.606 122.237 122.820 0.038 0.000 2.178 127 A HA 0.009 4.338 4.320 0.014 0.000 0.218 127 A C 1.585 179.184 177.584 0.025 0.000 1.157 127 A CA 1.038 53.090 52.037 0.024 0.000 0.689 127 A CB -0.196 18.813 19.000 0.015 0.000 0.787 127 A HN 0.423 nan 8.150 nan 0.000 0.465 128 N N 0.007 118.729 118.700 0.037 0.000 2.238 128 N HA 0.055 4.803 4.740 0.014 0.000 0.222 128 N C 0.486 176.026 175.510 0.051 0.000 1.133 128 N CA 0.663 53.736 53.050 0.038 0.000 0.854 128 N CB 0.382 38.890 38.487 0.036 0.000 1.041 128 N HN 0.581 nan 8.380 nan 0.000 0.510 129 S N -0.452 115.285 115.700 0.062 0.000 2.640 129 S HA 0.183 4.662 4.470 0.014 0.000 0.262 129 S C 1.593 176.200 174.600 0.012 0.000 1.232 129 S CA -0.373 57.873 58.200 0.076 0.000 0.988 129 S CB 0.854 64.141 63.200 0.145 0.000 1.034 129 S HN -0.035 nan 8.310 nan 0.000 0.569 130 V N -1.672 118.224 119.914 -0.029 0.000 3.506 130 V HA 0.387 4.516 4.120 0.014 0.000 0.263 130 V C 0.540 176.535 176.094 -0.166 0.000 1.203 130 V CA 0.081 62.371 62.300 -0.017 0.000 1.133 130 V CB -1.201 30.659 31.823 0.062 0.000 0.802 130 V HN 0.624 nan 8.190 nan 0.000 0.459 131 L N 0.897 121.896 121.223 -0.373 0.000 2.421 131 L HA 0.420 4.769 4.340 0.014 0.000 0.263 131 L C 0.596 177.286 176.870 -0.299 0.000 1.122 131 L CA -0.591 53.920 54.840 -0.549 0.000 0.804 131 L CB 0.687 42.290 42.059 -0.759 0.000 1.150 131 L HN 0.051 nan 8.230 nan 0.000 0.457 132 K N 1.693 121.923 120.400 -0.283 0.000 2.380 132 K HA 0.035 4.364 4.320 0.014 0.000 0.267 132 K C -1.596 174.921 176.600 -0.139 0.000 0.990 132 K CA -1.131 55.051 56.287 -0.176 0.000 0.946 132 K CB 0.378 32.773 32.500 -0.176 0.000 0.937 132 K HN 0.275 nan 8.250 nan 0.000 0.491 133 P HA -0.288 nan 4.420 nan 0.000 0.216 133 P C 0.922 178.192 177.300 -0.051 0.000 1.157 133 P CA 1.487 64.556 63.100 -0.052 0.000 0.880 133 P CB 0.082 31.757 31.700 -0.041 0.000 0.791 134 E N 0.018 120.173 120.200 -0.075 0.000 2.209 134 E HA -0.162 4.196 4.350 0.014 0.000 0.196 134 E C 0.650 177.212 176.600 -0.064 0.000 0.993 134 E CA 0.882 57.238 56.400 -0.073 0.000 0.819 134 E CB -0.958 28.681 29.700 -0.102 0.000 0.745 134 E HN 0.310 nan 8.360 nan 0.000 0.477 135 I N 2.449 122.969 120.570 -0.084 0.000 2.322 135 I HA 0.042 4.220 4.170 0.014 0.000 0.292 135 I C 1.181 177.341 176.117 0.072 0.000 1.060 135 I CA -0.242 61.029 61.300 -0.048 0.000 1.309 135 I CB 0.857 38.760 38.000 -0.162 0.000 1.415 135 I HN -0.122 nan 8.210 nan 0.000 0.492 136 K N 5.422 125.903 120.400 0.134 0.000 2.365 136 K HA 0.248 4.576 4.320 0.014 0.000 0.195 136 K C 0.742 177.464 176.600 0.203 0.000 1.079 136 K CA 0.244 56.632 56.287 0.168 0.000 0.979 136 K CB 0.483 33.030 32.500 0.079 0.000 0.929 136 K HN 0.455 nan 8.250 nan 0.000 0.523 137 R N -0.315 120.315 120.500 0.217 0.000 2.892 137 R HA 0.560 4.908 4.340 0.014 0.000 0.265 137 R C -0.572 175.793 176.300 0.107 0.000 1.025 137 R CA -0.396 55.723 56.100 0.032 0.000 0.982 137 R CB 2.005 32.288 30.300 -0.028 0.000 1.185 137 R HN 0.178 nan 8.270 nan 0.000 0.484 138 G N 0.549 109.151 108.800 -0.331 0.000 2.554 138 G HA2 0.549 4.517 3.960 0.014 0.000 0.306 138 G HA3 0.549 4.517 3.960 0.014 0.000 0.306 138 G C -1.893 172.512 174.900 -0.824 0.000 1.320 138 G CA -0.577 44.373 45.100 -0.250 0.000 0.800 138 G HN 0.332 nan 8.290 nan 0.000 0.481 139 F N -0.681 119.346 119.950 0.127 0.000 2.626 139 F HA 0.749 5.284 4.527 0.014 0.000 0.311 139 F C -0.130 175.765 175.800 0.158 0.000 1.088 139 F CA -0.768 57.291 58.000 0.098 0.000 0.949 139 F CB 2.842 41.898 39.000 0.092 0.000 1.322 139 F HN 0.531 nan 8.300 nan 0.000 0.461 140 E N 0.931 121.340 120.200 0.349 0.000 2.314 140 E HA 0.554 4.913 4.350 0.014 0.000 0.272 140 E C -1.913 174.895 176.600 0.347 0.000 0.884 140 E CA -0.672 55.884 56.400 0.259 0.000 0.753 140 E CB 2.664 32.428 29.700 0.106 0.000 1.213 140 E HN 0.560 nan 8.360 nan 0.000 0.432 141 Y N -0.708 119.709 120.300 0.195 0.000 2.689 141 Y HA 0.676 5.234 4.550 0.014 0.000 0.333 141 Y C -1.051 175.008 175.900 0.265 0.000 1.190 141 Y CA -1.126 57.090 58.100 0.193 0.000 1.063 141 Y CB 0.926 39.481 38.460 0.159 0.000 1.294 141 Y HN 0.209 nan 8.280 nan 0.000 0.466 142 S N 1.184 117.078 115.700 0.324 0.000 2.608 142 S HA 0.700 5.178 4.470 0.014 0.000 0.291 142 S C -1.353 173.421 174.600 0.291 0.000 1.146 142 S CA -0.430 57.920 58.200 0.251 0.000 1.043 142 S CB 1.311 64.624 63.200 0.189 0.000 1.037 142 S HN 0.683 nan 8.310 nan 0.000 0.520 143 D N -0.855 119.700 120.400 0.258 0.000 2.865 143 D HA 0.467 5.116 4.640 0.014 0.000 0.343 143 D C -1.358 175.087 176.300 0.242 0.000 1.372 143 D CA -0.200 53.908 54.000 0.180 0.000 0.862 143 D CB 1.489 42.221 40.800 -0.115 0.000 1.425 143 D HN 0.579 nan 8.370 nan 0.000 0.501 144 C N 0.140 119.540 119.300 0.167 0.000 2.889 144 C HA 0.670 5.138 4.460 0.014 0.000 0.307 144 C C -1.022 173.993 174.990 0.041 0.000 1.251 144 C CA -0.783 58.288 59.018 0.088 0.000 1.593 144 C CB 1.361 29.113 27.740 0.020 0.000 2.104 144 C HN 0.648 nan 8.230 nan 0.000 0.476 145 W N 0.844 121.927 121.300 -0.362 0.000 2.606 145 W HA 0.743 5.412 4.660 0.015 0.000 0.332 145 W C -1.002 175.280 176.519 -0.394 0.000 1.052 145 W CA -0.421 56.680 57.345 -0.406 0.000 1.223 145 W CB 1.197 30.280 29.460 -0.628 0.000 1.383 145 W HN 0.554 nan 8.180 nan 0.000 0.524 146 V N 6.091 125.458 119.914 -0.912 0.000 2.932 146 V HA 0.219 4.347 4.120 0.014 0.000 0.307 146 V C -1.097 174.403 176.094 -0.990 0.000 1.147 146 V CA -0.753 61.173 62.300 -0.624 0.000 0.951 146 V CB 2.081 33.700 31.823 -0.339 0.000 1.031 146 V HN 0.485 nan 8.190 nan 0.000 0.426 147 D N 4.345 124.486 120.400 -0.431 0.000 2.498 147 D HA 0.048 4.697 4.640 0.014 0.000 0.229 147 D C 1.053 177.223 176.300 -0.217 0.000 1.188 147 D CA 0.378 54.249 54.000 -0.215 0.000 1.028 147 D CB 0.852 41.717 40.800 0.108 0.000 1.087 147 D HN 0.793 nan 8.370 nan 0.000 0.510 148 D N 2.735 122.952 120.400 -0.306 0.000 2.154 148 D HA -0.293 4.355 4.640 0.014 0.000 0.190 148 D C 1.663 177.873 176.300 -0.150 0.000 1.003 148 D CA 1.788 55.650 54.000 -0.231 0.000 0.849 148 D CB -0.558 40.103 40.800 -0.232 0.000 0.942 148 D HN 0.305 nan 8.370 nan 0.000 0.446 149 A N 0.151 122.918 122.820 -0.088 0.000 1.972 149 A HA -0.133 4.196 4.320 0.014 0.000 0.219 149 A C 2.347 179.917 177.584 -0.022 0.000 1.169 149 A CA 1.522 53.535 52.037 -0.040 0.000 0.635 149 A CB -0.501 18.511 19.000 0.019 0.000 0.810 149 A HN 0.235 nan 8.150 nan 0.000 0.446 150 R N -1.370 119.121 120.500 -0.014 0.000 2.200 150 R HA 0.058 4.407 4.340 0.014 0.000 0.208 150 R C 1.884 178.173 176.300 -0.018 0.000 1.033 150 R CA 0.779 56.887 56.100 0.014 0.000 1.000 150 R CB -0.326 29.986 30.300 0.020 0.000 0.906 150 R HN 0.487 nan 8.270 nan 0.000 0.462 151 L N 0.678 121.845 121.223 -0.094 0.000 2.109 151 L HA -0.098 4.251 4.340 0.014 0.000 0.207 151 L C 1.964 178.729 176.870 -0.174 0.000 1.086 151 L CA 1.446 56.200 54.840 -0.143 0.000 0.760 151 L CB -0.161 41.765 42.059 -0.222 0.000 0.910 151 L HN -0.155 nan 8.230 nan 0.000 0.437 152 V N -0.301 119.508 119.914 -0.174 0.000 2.295 152 V HA -0.261 3.867 4.120 0.014 0.000 0.246 152 V C 2.480 178.514 176.094 -0.100 0.000 1.049 152 V CA 1.684 63.876 62.300 -0.180 0.000 1.024 152 V CB -0.851 30.879 31.823 -0.156 0.000 0.648 152 V HN 0.495 nan 8.190 nan 0.000 0.447 153 L N 0.990 122.202 121.223 -0.019 0.000 2.043 153 L HA -0.203 4.146 4.340 0.014 0.000 0.212 153 L C 2.518 179.465 176.870 0.128 0.000 1.075 153 L CA 2.845 57.734 54.840 0.081 0.000 0.752 153 L CB -1.277 40.879 42.059 0.162 0.000 0.891 153 L HN 0.350 nan 8.230 nan 0.000 0.432 154 A N 0.108 122.994 122.820 0.109 0.000 1.940 154 A HA -0.246 4.083 4.320 0.014 0.000 0.219 154 A C 2.020 179.666 177.584 0.104 0.000 1.176 154 A CA 1.820 53.942 52.037 0.141 0.000 0.631 154 A CB -0.675 18.417 19.000 0.154 0.000 0.814 154 A HN 0.636 nan 8.150 nan 0.000 0.446 155 N N 0.050 118.765 118.700 0.025 0.000 2.188 155 N HA -0.079 4.670 4.740 0.014 0.000 0.184 155 N C 1.961 177.478 175.510 0.010 0.000 1.018 155 N CA 1.255 54.313 53.050 0.013 0.000 0.858 155 N CB -0.305 38.142 38.487 -0.067 0.000 0.989 155 N HN 0.476 nan 8.380 nan 0.000 0.426 156 A N 1.458 124.252 122.820 -0.043 0.000 1.902 156 A HA -0.162 4.166 4.320 0.014 0.000 0.217 156 A C 2.145 179.798 177.584 0.114 0.000 1.181 156 A CA 1.162 53.114 52.037 -0.142 0.000 0.623 156 A CB -0.471 18.250 19.000 -0.464 0.000 0.818 156 A HN 0.333 nan 8.150 nan 0.000 0.443 157 Q N -1.744 118.228 119.800 0.286 0.000 2.079 157 Q HA -0.191 4.158 4.340 0.014 0.000 0.200 157 Q C 2.115 178.250 176.000 0.225 0.000 0.974 157 Q CA 1.602 57.623 55.803 0.363 0.000 0.840 157 Q CB -0.306 28.606 28.738 0.290 0.000 0.898 157 Q HN 0.655 nan 8.270 nan 0.000 0.430 158 M N 0.509 120.214 119.600 0.175 0.000 2.080 158 M HA -0.163 4.326 4.480 0.014 0.000 0.260 158 M C 2.004 178.394 176.300 0.151 0.000 1.068 158 M CA 1.413 56.815 55.300 0.170 0.000 1.109 158 M CB -0.443 32.271 32.600 0.191 0.000 1.342 158 M HN 0.001 nan 8.290 nan 0.000 0.405 159 V N -0.721 119.264 119.914 0.119 0.000 2.231 159 V HA -0.343 3.786 4.120 0.014 0.000 0.250 159 V C 2.370 178.514 176.094 0.085 0.000 1.058 159 V CA 2.173 64.519 62.300 0.076 0.000 1.022 159 V CB -1.079 30.749 31.823 0.007 0.000 0.640 159 V HN 0.443 nan 8.190 nan 0.000 0.445 160 V N -0.159 119.839 119.914 0.140 0.000 2.343 160 V HA -0.293 3.835 4.120 0.014 0.000 0.247 160 V C 2.543 178.696 176.094 0.099 0.000 1.051 160 V CA 2.451 64.840 62.300 0.149 0.000 1.036 160 V CB -0.842 31.133 31.823 0.253 0.000 0.654 160 V HN 0.543 nan 8.190 nan 0.000 0.451 161 R N 0.419 120.982 120.500 0.105 0.000 2.127 161 R HA -0.140 4.209 4.340 0.014 0.000 0.238 161 R C 1.551 177.871 176.300 0.033 0.000 1.134 161 R CA 1.205 57.347 56.100 0.071 0.000 0.975 161 R CB 0.001 30.352 30.300 0.084 0.000 0.865 161 R HN 0.253 nan 8.270 nan 0.000 0.447 162 K N -0.435 119.983 120.400 0.030 0.000 2.500 162 K HA 0.180 4.508 4.320 0.014 0.000 0.206 162 K C 0.534 177.121 176.600 -0.022 0.000 1.034 162 K CA 0.611 56.884 56.287 -0.023 0.000 1.179 162 K CB 0.732 33.209 32.500 -0.038 0.000 0.884 162 K HN 0.454 nan 8.250 nan 0.000 0.493 163 G N 0.479 109.280 108.800 0.002 0.000 2.159 163 G HA2 -0.251 3.718 3.960 0.014 0.000 0.256 163 G HA3 -0.251 3.718 3.960 0.014 0.000 0.256 163 G C 0.564 175.464 174.900 -0.000 0.000 0.977 163 G CA 0.123 45.223 45.100 -0.000 0.000 0.652 163 G HN 0.550 nan 8.290 nan 0.000 0.531 164 G N -0.770 108.033 108.800 0.005 0.000 2.580 164 G HA2 0.548 4.516 3.960 0.014 0.000 0.278 164 G HA3 0.548 4.516 3.960 0.014 0.000 0.278 164 G C -0.304 174.597 174.900 0.000 0.000 1.212 164 G CA 0.296 45.388 45.100 -0.013 0.000 0.939 164 G HN 0.502 nan 8.290 nan 0.000 0.513 165 E N -1.352 118.822 120.200 -0.044 0.000 2.222 165 E HA 0.528 4.886 4.350 0.014 0.000 0.267 165 E C -1.429 175.116 176.600 -0.092 0.000 0.884 165 E CA -0.627 55.751 56.400 -0.037 0.000 0.764 165 E CB 2.260 31.914 29.700 -0.076 0.000 1.169 165 E HN 0.177 nan 8.360 nan 0.000 0.413 166 V N 5.574 125.470 119.914 -0.030 0.000 2.483 166 V HA 0.412 4.540 4.120 0.014 0.000 0.297 166 V C -0.607 175.414 176.094 -0.122 0.000 1.027 166 V CA -0.658 61.536 62.300 -0.177 0.000 0.855 166 V CB 1.475 33.060 31.823 -0.395 0.000 0.995 166 V HN 0.621 nan 8.190 nan 0.000 0.424 167 L N 4.840 125.930 121.223 -0.221 0.000 2.362 167 L HA 0.759 5.107 4.340 0.014 0.000 0.275 167 L C 0.299 177.058 176.870 -0.186 0.000 0.998 167 L CA -0.340 54.413 54.840 -0.146 0.000 0.820 167 L CB 2.463 44.407 42.059 -0.192 0.000 1.270 167 L HN 0.795 nan 8.230 nan 0.000 0.415 168 T N -1.595 112.901 114.554 -0.096 0.000 2.938 168 T HA 0.515 4.874 4.350 0.014 0.000 0.285 168 T C 0.462 175.145 174.700 -0.027 0.000 1.028 168 T CA -0.806 61.235 62.100 -0.097 0.000 1.005 168 T CB 1.576 70.403 68.868 -0.069 0.000 1.157 168 T HN 0.650 nan 8.240 nan 0.000 0.550 169 R N -0.689 119.792 120.500 -0.032 0.000 3.741 169 R HA -0.124 4.224 4.340 0.014 0.000 0.292 169 R C -0.717 175.593 176.300 0.015 0.000 1.176 169 R CA 0.910 57.010 56.100 -0.001 0.000 0.794 169 R CB -2.753 27.570 30.300 0.038 0.000 1.213 169 R HN 0.802 nan 8.270 nan 0.000 0.494 170 T N 0.418 114.959 114.554 -0.022 0.000 2.892 170 T HA 0.293 4.652 4.350 0.014 0.000 0.311 170 T C -0.227 174.456 174.700 -0.029 0.000 1.033 170 T CA -0.680 61.424 62.100 0.007 0.000 0.991 170 T CB 1.558 70.395 68.868 -0.052 0.000 0.981 170 T HN 0.192 nan 8.240 nan 0.000 0.457 171 R N 2.514 123.016 120.500 0.004 0.000 2.265 171 R HA 0.670 5.019 4.340 0.014 0.000 0.319 171 R C -0.033 176.289 176.300 0.037 0.000 1.006 171 R CA -0.541 55.541 56.100 -0.031 0.000 0.880 171 R CB 0.575 30.851 30.300 -0.040 0.000 1.077 171 R HN 0.695 nan 8.270 nan 0.000 0.454 172 A N 3.067 125.891 122.820 0.006 0.000 2.454 172 A HA 0.153 4.482 4.320 0.014 0.000 0.260 172 A C 0.982 178.700 177.584 0.222 0.000 1.106 172 A CA -0.095 52.010 52.037 0.114 0.000 0.780 172 A CB 0.506 19.508 19.000 0.004 0.000 1.044 172 A HN 0.953 nan 8.150 nan 0.000 0.498 173 T N -1.052 113.625 114.554 0.205 0.000 3.015 173 T HA 0.363 4.722 4.350 0.014 0.000 0.250 173 T C 0.543 175.303 174.700 0.099 0.000 1.057 173 T CA 0.626 62.816 62.100 0.151 0.000 1.066 173 T CB -0.356 68.570 68.868 0.096 0.000 0.959 173 T HN 1.665 nan 8.240 nan 0.000 0.488 174 S N -0.223 115.559 115.700 0.137 0.000 2.565 174 S HA 0.727 5.206 4.470 0.014 0.000 0.274 174 S C -1.745 172.939 174.600 0.139 0.000 1.144 174 S CA -0.647 57.575 58.200 0.037 0.000 0.849 174 S CB 1.335 64.560 63.200 0.041 0.000 1.103 174 S HN 1.021 nan 8.310 nan 0.000 0.455 175 A N 1.833 124.710 122.820 0.095 0.000 2.437 175 A HA 0.931 5.259 4.320 0.014 0.000 0.293 175 A C -0.509 177.271 177.584 0.325 0.000 1.038 175 A CA -0.952 51.223 52.037 0.230 0.000 0.708 175 A CB 1.280 20.378 19.000 0.163 0.000 1.251 175 A HN 1.306 nan 8.150 nan 0.000 0.409 176 R N 1.539 122.289 120.500 0.415 0.000 2.707 176 R HA 0.707 5.056 4.340 0.014 0.000 0.272 176 R C -1.108 175.281 176.300 0.147 0.000 1.011 176 R CA -0.974 55.302 56.100 0.293 0.000 0.893 176 R CB 1.578 31.972 30.300 0.158 0.000 1.233 176 R HN 0.604 nan 8.270 nan 0.000 0.464 177 R N 1.234 121.637 120.500 -0.161 0.000 2.357 177 R HA 0.257 4.605 4.340 0.014 0.000 0.296 177 R C -0.697 175.495 176.300 -0.180 0.000 1.052 177 R CA -0.311 55.541 56.100 -0.413 0.000 0.988 177 R CB 1.148 31.092 30.300 -0.594 0.000 1.025 177 R HN 0.625 nan 8.270 nan 0.000 0.469 178 E N 2.094 122.202 120.200 -0.153 0.000 2.307 178 E HA 0.099 4.457 4.350 0.014 0.000 0.280 178 E C -1.012 175.547 176.600 -0.068 0.000 0.900 178 E CA -0.673 55.683 56.400 -0.074 0.000 0.790 178 E CB 1.418 31.108 29.700 -0.017 0.000 1.261 178 E HN 0.543 nan 8.360 nan 0.000 0.405 179 N N 1.871 120.534 118.700 -0.062 0.000 2.727 179 N HA -0.244 4.504 4.740 0.014 0.000 0.249 179 N C 0.638 176.114 175.510 -0.057 0.000 1.048 179 N CA 1.513 54.535 53.050 -0.046 0.000 0.714 179 N CB -1.125 37.349 38.487 -0.021 0.000 0.959 179 N HN 1.050 nan 8.380 nan 0.000 0.544 180 G N -1.720 107.021 108.800 -0.098 0.000 2.159 180 G HA2 -0.298 3.671 3.960 0.014 0.000 0.256 180 G HA3 -0.298 3.671 3.960 0.014 0.000 0.256 180 G C -0.091 174.738 174.900 -0.119 0.000 0.977 180 G CA 0.646 45.682 45.100 -0.107 0.000 0.652 180 G HN 0.450 nan 8.290 nan 0.000 0.531 181 L N -1.807 119.341 121.223 -0.126 0.000 2.350 181 L HA 0.703 5.051 4.340 0.014 0.000 0.260 181 L C -0.187 176.624 176.870 -0.098 0.000 1.015 181 L CA -1.419 53.383 54.840 -0.065 0.000 0.821 181 L CB 1.471 43.554 42.059 0.040 0.000 1.370 181 L HN 0.125 nan 8.230 nan 0.000 0.416 182 W N 1.962 123.297 121.300 0.058 0.000 2.316 182 W HA 0.538 5.206 4.660 0.013 0.000 0.321 182 W C -0.270 176.303 176.519 0.090 0.000 1.203 182 W CA -0.128 57.258 57.345 0.067 0.000 1.214 182 W CB 1.001 30.502 29.460 0.067 0.000 1.169 182 W HN 0.120 nan 8.180 nan 0.000 0.561 183 I N 4.216 125.006 120.570 0.367 0.000 2.390 183 I HA 0.202 4.380 4.170 0.014 0.000 0.283 183 I C -0.716 175.576 176.117 0.292 0.000 1.016 183 I CA -0.866 60.594 61.300 0.265 0.000 1.151 183 I CB 0.752 38.852 38.000 0.168 0.000 1.293 183 I HN -0.051 nan 8.210 nan 0.000 0.458 184 V N 6.466 126.569 119.914 0.315 0.000 2.370 184 V HA 0.319 4.448 4.120 0.014 0.000 0.279 184 V C 0.049 176.335 176.094 0.321 0.000 1.029 184 V CA -0.574 61.918 62.300 0.319 0.000 0.870 184 V CB 1.501 33.518 31.823 0.323 0.000 0.984 184 V HN 0.661 nan 8.190 nan 0.000 0.451 185 E N 2.951 123.292 120.200 0.235 0.000 2.191 185 E HA 0.820 5.178 4.350 0.014 0.000 0.274 185 E C -0.398 176.330 176.600 0.213 0.000 0.948 185 E CA -0.498 55.996 56.400 0.158 0.000 0.802 185 E CB 2.280 32.038 29.700 0.096 0.000 1.137 185 E HN 0.845 nan 8.360 nan 0.000 0.397 186 A N 2.655 125.598 122.820 0.206 0.000 2.594 186 A HA 0.611 4.940 4.320 0.014 0.000 0.291 186 A C -1.478 176.263 177.584 0.261 0.000 1.105 186 A CA -0.846 51.345 52.037 0.257 0.000 0.694 186 A CB 1.648 20.888 19.000 0.401 0.000 1.291 186 A HN 0.705 nan 8.150 nan 0.000 0.410 187 E N 0.661 121.001 120.200 0.232 0.000 2.356 187 E HA 0.394 4.752 4.350 0.014 0.000 0.275 187 E C -1.548 175.180 176.600 0.213 0.000 0.904 187 E CA -0.798 55.729 56.400 0.212 0.000 0.757 187 E CB 1.906 31.660 29.700 0.090 0.000 1.232 187 E HN 0.506 nan 8.360 nan 0.000 0.442 188 D N 3.439 123.979 120.400 0.234 0.000 2.358 188 D HA 0.036 4.685 4.640 0.014 0.000 0.258 188 D C 1.363 177.719 176.300 0.093 0.000 1.223 188 D CA -0.166 53.947 54.000 0.189 0.000 0.886 188 D CB 0.778 41.693 40.800 0.192 0.000 1.120 188 D HN 0.666 nan 8.370 nan 0.000 0.482 189 I N 1.079 121.689 120.570 0.067 0.000 2.850 189 I HA -0.165 4.014 4.170 0.014 0.000 0.266 189 I C 0.613 176.751 176.117 0.036 0.000 1.257 189 I CA 0.860 62.183 61.300 0.039 0.000 1.465 189 I CB 0.049 38.059 38.000 0.017 0.000 1.091 189 I HN 0.146 nan 8.210 nan 0.000 0.467 190 D N 1.405 121.831 120.400 0.044 0.000 2.468 190 D HA -0.056 4.593 4.640 0.014 0.000 0.243 190 D C 2.315 178.632 176.300 0.028 0.000 0.994 190 D CA 2.036 56.057 54.000 0.036 0.000 0.932 190 D CB -0.157 40.667 40.800 0.040 0.000 1.078 190 D HN 0.487 nan 8.370 nan 0.000 0.473 191 T N -2.388 112.185 114.554 0.031 0.000 3.081 191 T HA 0.307 4.665 4.350 0.014 0.000 0.250 191 T C 1.668 176.367 174.700 -0.001 0.000 1.100 191 T CA 0.884 62.991 62.100 0.012 0.000 1.038 191 T CB 0.444 69.317 68.868 0.008 0.000 0.962 191 T HN 0.237 nan 8.240 nan 0.000 0.516 192 G N 1.828 110.634 108.800 0.010 0.000 2.168 192 G HA2 -0.337 3.631 3.960 0.014 0.000 0.263 192 G HA3 -0.337 3.631 3.960 0.014 0.000 0.263 192 G C 0.036 174.912 174.900 -0.039 0.000 0.977 192 G CA 0.429 45.527 45.100 -0.003 0.000 0.659 192 G HN 0.876 nan 8.290 nan 0.000 0.533 193 K N 0.855 121.216 120.400 -0.064 0.000 2.472 193 K HA 0.201 4.529 4.320 0.014 0.000 0.280 193 K C 0.381 176.812 176.600 -0.282 0.000 1.028 193 K CA 0.022 56.193 56.287 -0.194 0.000 1.045 193 K CB 0.263 32.618 32.500 -0.242 0.000 0.902 193 K HN 0.021 nan 8.250 nan 0.000 0.478 194 K N 3.498 123.710 120.400 -0.313 0.000 2.144 194 K HA 0.230 4.559 4.320 0.014 0.000 0.270 194 K C -0.738 175.555 176.600 -0.512 0.000 1.005 194 K CA -0.246 55.882 56.287 -0.265 0.000 0.932 194 K CB 0.733 33.136 32.500 -0.162 0.000 1.021 194 K HN 0.437 nan 8.250 nan 0.000 0.462 195 Y N -1.005 119.132 120.300 -0.271 0.000 2.576 195 Y HA 0.343 4.901 4.550 0.013 0.000 0.346 195 Y C 0.045 175.541 175.900 -0.673 0.000 1.018 195 Y CA -0.714 57.021 58.100 -0.608 0.000 1.050 195 Y CB 2.584 40.492 38.460 -0.919 0.000 1.280 195 Y HN 0.499 nan 8.280 nan 0.000 0.474 196 S N 2.390 117.657 115.700 -0.721 0.000 2.689 196 S HA 0.541 5.020 4.470 0.014 0.000 0.274 196 S C -1.914 172.419 174.600 -0.445 0.000 1.176 196 S CA -0.573 57.377 58.200 -0.417 0.000 1.014 196 S CB 0.436 63.524 63.200 -0.187 0.000 1.071 196 S HN 0.605 nan 8.310 nan 0.000 0.478 197 W N 2.371 123.731 121.300 0.099 0.000 2.820 197 W HA 0.526 5.192 4.660 0.011 0.000 0.350 197 W C -0.264 176.313 176.519 0.098 0.000 1.116 197 W CA -0.744 56.652 57.345 0.085 0.000 1.146 197 W CB 1.621 31.117 29.460 0.061 0.000 1.433 197 W HN 0.524 nan 8.180 nan 0.000 0.561 198 Q N 0.799 120.807 119.800 0.347 0.000 2.337 198 Q HA 0.699 5.047 4.340 0.014 0.000 0.266 198 Q C -0.734 175.416 176.000 0.251 0.000 1.023 198 Q CA -0.473 55.483 55.803 0.255 0.000 0.829 198 Q CB 2.520 31.365 28.738 0.179 0.000 1.306 198 Q HN 0.443 nan 8.270 nan 0.000 0.449 199 A N 1.735 124.718 122.820 0.272 0.000 2.498 199 A HA 0.505 4.834 4.320 0.014 0.000 0.298 199 A C -0.217 177.557 177.584 0.317 0.000 1.075 199 A CA -0.643 51.547 52.037 0.254 0.000 0.714 199 A CB 1.450 20.570 19.000 0.201 0.000 1.299 199 A HN 0.848 nan 8.150 nan 0.000 0.407 200 R N 0.228 120.904 120.500 0.293 0.000 2.254 200 R HA 0.238 4.587 4.340 0.014 0.000 0.195 200 R C 0.709 177.222 176.300 0.354 0.000 0.957 200 R CA 0.840 57.106 56.100 0.278 0.000 1.024 200 R CB 0.631 31.082 30.300 0.252 0.000 0.952 200 R HN 0.799 nan 8.270 nan 0.000 0.484 201 G N 0.115 109.161 108.800 0.410 0.000 2.718 201 G HA2 0.459 4.427 3.960 0.014 0.000 0.295 201 G HA3 0.459 4.427 3.960 0.014 0.000 0.295 201 G C -2.115 172.785 174.900 -0.000 0.000 1.421 201 G CA -0.424 44.867 45.100 0.319 0.000 0.902 201 G HN -0.076 nan 8.290 nan 0.000 0.501 202 L N 1.611 122.650 121.223 -0.306 0.000 2.408 202 L HA 0.799 5.147 4.340 0.014 0.000 0.268 202 L C -1.218 175.435 176.870 -0.361 0.000 0.986 202 L CA -0.828 53.663 54.840 -0.581 0.000 0.820 202 L CB 1.828 43.031 42.059 -1.425 0.000 1.303 202 L HN 0.334 nan 8.230 nan 0.000 0.411 203 V N 4.586 124.323 119.914 -0.294 0.000 2.409 203 V HA 0.391 4.520 4.120 0.014 0.000 0.291 203 V C -0.155 175.781 176.094 -0.264 0.000 1.020 203 V CA -0.769 61.406 62.300 -0.208 0.000 0.848 203 V CB 1.783 33.518 31.823 -0.146 0.000 0.990 203 V HN 0.766 nan 8.190 nan 0.000 0.430 204 N N 4.207 122.770 118.700 -0.229 0.000 2.589 204 N HA 0.478 5.227 4.740 0.014 0.000 0.232 204 N C -0.099 175.283 175.510 -0.213 0.000 1.015 204 N CA -0.222 52.661 53.050 -0.278 0.000 0.931 204 N CB 1.462 39.789 38.487 -0.267 0.000 1.150 204 N HN 0.772 nan 8.380 nan 0.000 0.512 205 A N 2.681 125.363 122.820 -0.231 0.000 3.113 205 A HA 0.191 4.520 4.320 0.014 0.000 0.307 205 A C 0.873 178.358 177.584 -0.166 0.000 1.025 205 A CA -0.490 51.441 52.037 -0.176 0.000 1.012 205 A CB -0.679 18.231 19.000 -0.151 0.000 1.085 205 A HN 0.554 nan 8.150 nan 0.000 0.519 206 T N -3.150 111.310 114.554 -0.157 0.000 3.235 206 T HA 0.430 4.789 4.350 0.014 0.000 0.251 206 T C 1.444 176.217 174.700 0.122 0.000 1.060 206 T CA 0.913 62.976 62.100 -0.061 0.000 0.949 206 T CB -0.313 68.496 68.868 -0.098 0.000 1.020 206 T HN 1.672 nan 8.240 nan 0.000 0.564 207 G N 2.743 111.555 108.800 0.020 0.000 2.690 207 G HA2 -0.317 3.651 3.960 0.014 0.000 0.334 207 G HA3 -0.317 3.651 3.960 0.014 0.000 0.334 207 G C -1.195 173.714 174.900 0.015 0.000 1.250 207 G CA 0.447 45.561 45.100 0.024 0.000 0.994 207 G HN 0.472 nan 8.290 nan 0.000 0.549 208 P HA -0.037 nan 4.420 nan 0.000 0.219 208 P C 1.289 178.418 177.300 -0.284 0.000 1.146 208 P CA 1.961 64.889 63.100 -0.287 0.000 0.808 208 P CB -0.068 31.229 31.700 -0.670 0.000 0.779 209 W N -1.422 119.877 121.300 -0.000 0.000 3.290 209 W HA 0.160 4.829 4.660 0.015 0.000 0.287 209 W C 1.837 178.396 176.519 0.065 0.000 1.288 209 W CA -0.107 57.260 57.345 0.036 0.000 1.725 209 W CB -0.565 28.905 29.460 0.016 0.000 1.103 209 W HN -0.171 nan 8.180 nan 0.000 0.670 210 V N 1.842 121.862 119.914 0.178 0.000 2.250 210 V HA -0.375 3.753 4.120 0.014 0.000 0.250 210 V C 2.425 178.724 176.094 0.342 0.000 1.060 210 V CA 2.696 65.065 62.300 0.116 0.000 1.030 210 V CB -0.266 31.439 31.823 -0.195 0.000 0.643 210 V HN 0.098 nan 8.190 nan 0.000 0.445 211 K N -0.461 120.131 120.400 0.320 0.000 2.062 211 K HA -0.231 4.098 4.320 0.014 0.000 0.205 211 K C 2.236 179.040 176.600 0.340 0.000 1.051 211 K CA 1.660 58.176 56.287 0.382 0.000 0.941 211 K CB -0.207 32.447 32.500 0.256 0.000 0.719 211 K HN 0.772 nan 8.250 nan 0.000 0.440 212 Q N -0.274 119.689 119.800 0.271 0.000 2.226 212 Q HA -0.166 4.182 4.340 0.014 0.000 0.204 212 Q C 1.683 177.823 176.000 0.233 0.000 0.975 212 Q CA 1.499 57.443 55.803 0.235 0.000 0.866 212 Q CB -0.578 28.308 28.738 0.245 0.000 0.915 212 Q HN 0.333 nan 8.270 nan 0.000 0.440 213 F N -0.150 119.885 119.950 0.141 0.000 2.259 213 F HA 0.084 4.619 4.527 0.013 0.000 0.298 213 F C 1.237 177.022 175.800 -0.024 0.000 1.088 213 F CA 0.483 58.493 58.000 0.016 0.000 1.358 213 F CB -0.077 38.885 39.000 -0.064 0.000 1.040 213 F HN 0.073 nan 8.300 nan 0.000 0.505 214 F N 0.971 120.954 119.950 0.055 0.000 2.102 214 F HA -0.217 4.319 4.527 0.015 0.000 0.298 214 F C 2.367 178.110 175.800 -0.096 0.000 1.105 214 F CA 1.926 59.927 58.000 0.003 0.000 1.239 214 F CB -0.608 38.461 39.000 0.115 0.000 0.991 214 F HN -0.057 nan 8.300 nan 0.000 0.474 215 D N -0.239 120.248 120.400 0.145 0.000 2.103 215 D HA -0.133 4.516 4.640 0.014 0.000 0.199 215 D C 1.628 177.822 176.300 -0.177 0.000 0.978 215 D CA 1.545 55.568 54.000 0.038 0.000 0.829 215 D CB -0.397 40.454 40.800 0.085 0.000 0.981 215 D HN 0.303 nan 8.370 nan 0.000 0.464 216 D N -0.485 119.781 120.400 -0.222 0.000 2.338 216 D HA 0.048 4.697 4.640 0.014 0.000 0.208 216 D C 2.033 177.997 176.300 -0.561 0.000 0.997 216 D CA 0.581 54.380 54.000 -0.335 0.000 0.880 216 D CB -0.026 40.713 40.800 -0.102 0.000 0.980 216 D HN 0.220 nan 8.370 nan 0.000 0.509 217 G N 0.335 108.707 108.800 -0.714 0.000 2.441 217 G HA2 -0.028 3.941 3.960 0.014 0.000 0.212 217 G HA3 -0.028 3.941 3.960 0.014 0.000 0.212 217 G C 1.474 175.924 174.900 -0.750 0.000 1.164 217 G CA 0.089 44.597 45.100 -0.986 0.000 0.811 217 G HN 0.112 nan 8.290 nan 0.000 0.535 218 M N -0.786 118.426 119.600 -0.648 0.000 2.379 218 M HA 0.268 4.757 4.480 0.014 0.000 0.265 218 M C 0.216 176.509 176.300 -0.011 0.000 1.095 218 M CA -0.123 55.037 55.300 -0.233 0.000 1.075 218 M CB 0.440 32.949 32.600 -0.152 0.000 1.443 218 M HN 0.163 nan 8.290 nan 0.000 0.519 219 H N 1.029 120.093 119.070 -0.010 0.000 2.770 219 H HA -0.091 4.474 4.556 0.014 0.000 0.309 219 H C -0.804 174.588 175.328 0.107 0.000 1.206 219 H CA 0.688 56.764 56.048 0.047 0.000 1.147 219 H CB -2.028 27.751 29.762 0.028 0.000 1.422 219 H HN 0.354 nan 8.280 nan 0.000 0.420 220 L N 1.033 122.405 121.223 0.249 0.000 2.341 220 L HA 0.464 4.813 4.340 0.014 0.000 0.267 220 L C -1.823 175.226 176.870 0.298 0.000 1.009 220 L CA -1.850 53.172 54.840 0.303 0.000 0.819 220 L CB 2.299 44.607 42.059 0.414 0.000 1.323 220 L HN -0.112 nan 8.230 nan 0.000 0.425 221 P HA 0.047 nan 4.420 nan 0.000 0.276 221 P C -0.623 176.531 177.300 -0.243 0.000 1.235 221 P CA -0.172 62.926 63.100 -0.003 0.000 0.772 221 P CB 1.523 33.205 31.700 -0.030 0.000 0.871 222 S N 4.239 119.678 115.700 -0.435 0.000 2.548 222 S HA 0.199 4.678 4.470 0.014 0.000 0.277 222 S C -0.816 173.431 174.600 -0.589 0.000 1.315 222 S CA -1.346 56.286 58.200 -0.947 0.000 1.050 222 S CB -0.023 62.877 63.200 -0.500 0.000 0.918 222 S HN 0.368 nan 8.310 nan 0.000 0.497 223 P HA 0.047 nan 4.420 nan 0.000 0.226 223 P C -0.712 175.909 177.300 -1.131 0.000 1.153 223 P CA 0.902 63.554 63.100 -0.747 0.000 0.777 223 P CB 0.034 31.359 31.700 -0.625 0.000 0.794 224 Y N -1.368 118.573 120.300 -0.598 0.000 2.588 224 Y HA 0.581 5.140 4.550 0.014 0.000 0.343 224 Y C 0.964 176.711 175.900 -0.255 0.000 1.065 224 Y CA -0.983 56.768 58.100 -0.582 0.000 1.038 224 Y CB 1.004 38.807 38.460 -1.096 0.000 1.297 224 Y HN -0.210 nan 8.280 nan 0.000 0.467 225 G N 0.478 109.303 108.800 0.042 0.000 2.522 225 G HA2 0.564 4.533 3.960 0.014 0.000 0.304 225 G HA3 0.564 4.533 3.960 0.014 0.000 0.304 225 G C -1.722 173.278 174.900 0.168 0.000 1.210 225 G CA -0.418 44.735 45.100 0.088 0.000 0.960 225 G HN 0.457 nan 8.290 nan 0.000 0.497 226 I N -0.537 120.121 120.570 0.147 0.000 2.534 226 I HA 0.449 4.628 4.170 0.014 0.000 0.288 226 I C -0.763 175.395 176.117 0.067 0.000 1.077 226 I CA -1.003 60.384 61.300 0.146 0.000 1.051 226 I CB 1.898 39.999 38.000 0.169 0.000 1.234 226 I HN 0.241 nan 8.210 nan 0.000 0.425 227 R N 7.814 128.340 120.500 0.044 0.000 2.207 227 R HA 0.487 4.836 4.340 0.014 0.000 0.334 227 R C -1.181 175.125 176.300 0.009 0.000 1.013 227 R CA -0.643 55.468 56.100 0.018 0.000 0.858 227 R CB 0.964 31.265 30.300 0.001 0.000 1.094 227 R HN 0.592 nan 8.270 nan 0.000 0.457 228 L N 5.260 126.493 121.223 0.016 0.000 2.268 228 L HA 0.354 4.702 4.340 0.014 0.000 0.289 228 L C 0.047 176.934 176.870 0.029 0.000 1.064 228 L CA -0.387 54.461 54.840 0.014 0.000 0.824 228 L CB 0.572 42.670 42.059 0.065 0.000 1.202 228 L HN 0.276 nan 8.230 nan 0.000 0.433 229 I N 4.187 124.747 120.570 -0.017 0.000 2.330 229 I HA 0.214 4.393 4.170 0.014 0.000 0.286 229 I C 0.353 176.431 176.117 -0.065 0.000 1.025 229 I CA -0.491 60.795 61.300 -0.023 0.000 1.197 229 I CB 1.342 39.323 38.000 -0.032 0.000 1.358 229 I HN 0.589 nan 8.210 nan 0.000 0.467 230 K N 4.708 125.066 120.400 -0.070 0.000 2.382 230 K HA 0.496 4.825 4.320 0.014 0.000 0.275 230 K C 0.038 176.563 176.600 -0.125 0.000 1.009 230 K CA -0.121 56.078 56.287 -0.148 0.000 0.970 230 K CB 0.935 33.350 32.500 -0.142 0.000 0.934 230 K HN 0.842 nan 8.250 nan 0.000 0.479 231 G N 1.696 110.414 108.800 -0.136 0.000 2.732 231 G HA2 0.421 4.390 3.960 0.014 0.000 0.295 231 G HA3 0.421 4.390 3.960 0.014 0.000 0.295 231 G C -1.413 173.383 174.900 -0.173 0.000 1.456 231 G CA -0.594 44.421 45.100 -0.143 0.000 1.050 231 G HN 0.555 nan 8.290 nan 0.000 0.525 232 S N 0.254 115.791 115.700 -0.272 0.000 2.648 232 S HA 0.810 5.289 4.470 0.014 0.000 0.305 232 S C -1.021 173.243 174.600 -0.560 0.000 1.094 232 S CA -0.630 57.378 58.200 -0.320 0.000 0.983 232 S CB 1.614 64.656 63.200 -0.264 0.000 1.101 232 S HN 0.713 nan 8.310 nan 0.000 0.514 233 H N 0.019 118.695 119.070 -0.657 0.000 2.895 233 H HA 0.659 5.223 4.556 0.014 0.000 0.373 233 H C -0.581 174.391 175.328 -0.593 0.000 1.174 233 H CA -0.737 54.892 56.048 -0.698 0.000 1.144 233 H CB 1.146 30.167 29.762 -1.236 0.000 1.793 233 H HN 0.605 nan 8.280 nan 0.000 0.551 234 I N -0.803 119.617 120.570 -0.250 0.000 2.740 234 I HA 0.787 4.965 4.170 0.014 0.000 0.303 234 I C -1.153 174.905 176.117 -0.098 0.000 1.044 234 I CA -1.237 59.949 61.300 -0.189 0.000 1.064 234 I CB 2.134 40.050 38.000 -0.140 0.000 1.249 234 I HN 0.198 nan 8.210 nan 0.000 0.433 235 V N 5.058 124.961 119.914 -0.018 0.000 2.540 235 V HA 0.702 4.831 4.120 0.014 0.000 0.302 235 V C 0.001 176.149 176.094 0.089 0.000 1.035 235 V CA -0.532 61.821 62.300 0.090 0.000 0.873 235 V CB 1.794 33.756 31.823 0.231 0.000 0.992 235 V HN 0.735 nan 8.190 nan 0.000 0.428 236 V N 2.632 122.615 119.914 0.115 0.000 3.130 236 V HA 0.764 4.893 4.120 0.014 0.000 0.310 236 V C -2.980 173.245 176.094 0.220 0.000 1.158 236 V CA -3.006 59.353 62.300 0.099 0.000 1.029 236 V CB 2.106 33.895 31.823 -0.056 0.000 1.057 236 V HN 0.630 nan 8.190 nan 0.000 0.436 237 P HA 0.201 nan 4.420 nan 0.000 0.267 237 P C -0.302 177.005 177.300 0.012 0.000 1.200 237 P CA -0.084 63.090 63.100 0.123 0.000 0.772 237 P CB 0.245 31.971 31.700 0.043 0.000 0.855 238 R N 1.295 121.764 120.500 -0.052 0.000 2.489 238 R HA -0.082 4.267 4.340 0.014 0.000 0.287 238 R C 1.294 177.515 176.300 -0.132 0.000 0.902 238 R CA 0.204 56.243 56.100 -0.102 0.000 1.136 238 R CB -0.179 30.056 30.300 -0.109 0.000 0.872 238 R HN 0.394 nan 8.270 nan 0.000 0.421 239 V N 0.233 120.004 119.914 -0.239 0.000 3.041 239 V HA -0.016 4.113 4.120 0.014 0.000 0.260 239 V C 0.404 176.461 176.094 -0.062 0.000 1.105 239 V CA 1.080 63.265 62.300 -0.193 0.000 1.125 239 V CB -0.969 30.680 31.823 -0.290 0.000 0.730 239 V HN 0.977 nan 8.190 nan 0.000 0.479 240 H N -2.437 116.646 119.070 0.023 0.000 2.932 240 H HA 0.569 5.133 4.556 0.014 0.000 0.307 240 H C 0.198 175.559 175.328 0.055 0.000 1.391 240 H CA -0.104 55.978 56.048 0.058 0.000 1.130 240 H CB 0.679 30.502 29.762 0.101 0.000 1.836 240 H HN -0.023 nan 8.280 nan 0.000 0.522 241 T N -2.173 112.567 114.554 0.311 0.000 3.186 241 T HA 0.221 4.580 4.350 0.014 0.000 0.257 241 T C 0.009 174.855 174.700 0.244 0.000 1.029 241 T CA -0.462 61.760 62.100 0.202 0.000 0.916 241 T CB -0.374 68.557 68.868 0.105 0.000 1.041 241 T HN 0.567 nan 8.240 nan 0.000 0.562 242 Q N 0.938 120.994 119.800 0.426 0.000 2.354 242 Q HA 0.357 4.705 4.340 0.014 0.000 0.244 242 Q C 0.775 176.925 176.000 0.250 0.000 0.969 242 Q CA -0.395 55.548 55.803 0.235 0.000 0.885 242 Q CB 1.275 30.036 28.738 0.039 0.000 1.241 242 Q HN 0.275 nan 8.270 nan 0.000 0.461 243 K N 0.798 121.279 120.400 0.136 0.000 2.305 243 K HA -0.055 4.273 4.320 0.014 0.000 0.199 243 K C 0.032 176.677 176.600 0.075 0.000 1.047 243 K CA 0.546 56.889 56.287 0.094 0.000 0.976 243 K CB 0.340 32.872 32.500 0.052 0.000 0.765 243 K HN 0.479 nan 8.250 nan 0.000 0.474 244 Q N 0.205 120.046 119.800 0.067 0.000 2.306 244 Q HA 0.336 4.685 4.340 0.014 0.000 0.241 244 Q C -0.532 175.471 176.000 0.005 0.000 0.948 244 Q CA -0.258 55.515 55.803 -0.050 0.000 0.886 244 Q CB 1.202 29.854 28.738 -0.145 0.000 1.227 244 Q HN 0.160 nan 8.270 nan 0.000 0.457 245 A N 1.167 123.844 122.820 -0.239 0.000 2.282 245 A HA 0.684 5.013 4.320 0.014 0.000 0.319 245 A C -1.347 176.224 177.584 -0.022 0.000 1.121 245 A CA -0.376 51.593 52.037 -0.113 0.000 0.836 245 A CB 0.566 19.219 19.000 -0.578 0.000 1.146 245 A HN 0.608 nan 8.150 nan 0.000 0.494 246 Y N -0.436 120.012 120.300 0.246 0.000 2.468 246 Y HA 0.586 5.144 4.550 0.014 0.000 0.342 246 Y C -0.065 176.045 175.900 0.350 0.000 1.021 246 Y CA -0.604 57.678 58.100 0.304 0.000 1.079 246 Y CB 2.037 40.730 38.460 0.388 0.000 1.226 246 Y HN 0.607 nan 8.280 nan 0.000 0.460 247 I N 4.915 125.719 120.570 0.391 0.000 2.411 247 I HA 0.444 4.622 4.170 0.014 0.000 0.284 247 I C -1.749 174.387 176.117 0.031 0.000 1.012 247 I CA -0.550 60.856 61.300 0.177 0.000 1.119 247 I CB 0.387 38.531 38.000 0.240 0.000 1.261 247 I HN 0.485 nan 8.210 nan 0.000 0.448 248 L N 6.998 128.155 121.223 -0.110 0.000 2.307 248 L HA 0.451 4.800 4.340 0.014 0.000 0.282 248 L C -0.126 176.637 176.870 -0.178 0.000 1.051 248 L CA -0.620 54.059 54.840 -0.268 0.000 0.804 248 L CB 1.328 43.092 42.059 -0.491 0.000 1.197 248 L HN 0.550 nan 8.230 nan 0.000 0.431 249 Q N 2.594 122.347 119.800 -0.078 0.000 2.314 249 Q HA 0.204 4.552 4.340 0.014 0.000 0.257 249 Q C -0.591 175.437 176.000 0.047 0.000 0.975 249 Q CA -0.412 55.384 55.803 -0.012 0.000 0.933 249 Q CB 1.268 30.022 28.738 0.026 0.000 1.195 249 Q HN 0.409 nan 8.270 nan 0.000 0.426 250 N N 1.157 119.856 118.700 -0.002 0.000 2.476 250 N HA 0.035 4.784 4.740 0.014 0.000 0.275 250 N C 0.649 176.159 175.510 -0.001 0.000 1.190 250 N CA -0.273 52.778 53.050 0.003 0.000 0.977 250 N CB 1.005 39.462 38.487 -0.051 0.000 1.200 250 N HN 0.391 nan 8.380 nan 0.000 0.515 251 E N -0.113 120.091 120.200 0.007 0.000 2.265 251 E HA -0.161 4.198 4.350 0.014 0.000 0.196 251 E C 0.143 176.746 176.600 0.005 0.000 0.996 251 E CA 0.935 57.339 56.400 0.007 0.000 0.832 251 E CB -0.176 29.546 29.700 0.035 0.000 0.756 251 E HN 0.663 nan 8.360 nan 0.000 0.491 252 D N -0.185 120.238 120.400 0.038 0.000 2.325 252 D HA -0.026 4.622 4.640 0.014 0.000 0.225 252 D C 0.434 176.750 176.300 0.027 0.000 1.096 252 D CA -0.050 53.980 54.000 0.050 0.000 0.844 252 D CB 0.298 41.165 40.800 0.112 0.000 0.925 252 D HN -0.204 nan 8.370 nan 0.000 0.513 253 K N -0.776 119.622 120.400 -0.003 0.000 3.553 253 K HA -0.167 4.162 4.320 0.014 0.000 0.303 253 K C 0.129 176.726 176.600 -0.004 0.000 1.327 253 K CA 0.489 56.762 56.287 -0.023 0.000 0.983 253 K CB -1.604 30.879 32.500 -0.028 0.000 1.275 253 K HN 0.422 nan 8.250 nan 0.000 0.453 254 R N -0.190 120.326 120.500 0.027 0.000 2.546 254 R HA 0.513 4.861 4.340 0.014 0.000 0.266 254 R C 0.273 176.556 176.300 -0.028 0.000 1.086 254 R CA -0.783 55.332 56.100 0.026 0.000 1.160 254 R CB 0.497 30.850 30.300 0.088 0.000 1.138 254 R HN -0.096 nan 8.270 nan 0.000 0.567 255 I N 0.429 120.946 120.570 -0.090 0.000 2.603 255 I HA 0.296 4.475 4.170 0.014 0.000 0.300 255 I C -0.811 175.138 176.117 -0.281 0.000 1.017 255 I CA -0.531 60.638 61.300 -0.218 0.000 1.098 255 I CB 2.237 40.041 38.000 -0.328 0.000 1.279 255 I HN 0.177 nan 8.210 nan 0.000 0.437 256 V N 6.092 125.817 119.914 -0.316 0.000 2.638 256 V HA 0.473 4.601 4.120 0.014 0.000 0.306 256 V C -0.717 175.236 176.094 -0.235 0.000 1.052 256 V CA -0.728 61.441 62.300 -0.220 0.000 0.885 256 V CB 1.703 33.491 31.823 -0.058 0.000 0.999 256 V HN 0.377 nan 8.190 nan 0.000 0.424 257 F N 2.924 122.941 119.950 0.112 0.000 2.399 257 F HA 0.694 5.229 4.527 0.015 0.000 0.328 257 F C 0.194 176.096 175.800 0.171 0.000 1.084 257 F CA -0.881 57.228 58.000 0.182 0.000 1.053 257 F CB 1.700 40.830 39.000 0.217 0.000 1.209 257 F HN 0.136 nan 8.300 nan 0.000 0.502 258 V N 4.230 124.403 119.914 0.432 0.000 2.357 258 V HA 0.392 4.521 4.120 0.014 0.000 0.281 258 V C -0.377 175.890 176.094 0.288 0.000 1.015 258 V CA -0.546 61.923 62.300 0.283 0.000 0.827 258 V CB 0.979 32.958 31.823 0.261 0.000 1.018 258 V HN 0.528 nan 8.190 nan 0.000 0.432 259 I N 6.267 126.964 120.570 0.211 0.000 2.433 259 I HA 0.456 4.635 4.170 0.014 0.000 0.292 259 I C -2.537 173.664 176.117 0.141 0.000 1.001 259 I CA -2.307 59.092 61.300 0.165 0.000 1.119 259 I CB 2.581 40.701 38.000 0.199 0.000 1.289 259 I HN 0.349 nan 8.210 nan 0.000 0.438 260 P HA -0.012 nan 4.420 nan 0.000 0.268 260 P C -1.390 176.008 177.300 0.163 0.000 1.204 260 P CA 0.087 63.245 63.100 0.096 0.000 0.768 260 P CB 0.324 32.061 31.700 0.062 0.000 0.842 261 W N 5.892 127.190 121.300 -0.002 0.000 2.830 261 W HA 0.382 5.050 4.660 0.014 0.000 0.335 261 W C -0.325 176.256 176.519 0.103 0.000 1.043 261 W CA -0.815 56.542 57.345 0.021 0.000 1.239 261 W CB 0.639 30.209 29.460 0.182 0.000 1.378 261 W HN 0.348 nan 8.180 nan 0.000 0.456 262 M N 6.444 125.926 119.600 -0.196 0.000 2.393 262 M HA -0.373 4.116 4.480 0.014 0.000 0.201 262 M C 0.441 176.691 176.300 -0.084 0.000 0.403 262 M CA 1.714 56.898 55.300 -0.193 0.000 0.471 262 M CB -1.142 31.290 32.600 -0.281 0.000 1.669 262 M HN 0.642 nan 8.290 nan 0.000 0.864 263 D N -1.590 118.759 120.400 -0.085 0.000 2.955 263 D HA -0.228 4.420 4.640 0.014 0.000 0.205 263 D C 0.770 176.986 176.300 -0.140 0.000 1.104 263 D CA 2.262 56.208 54.000 -0.090 0.000 1.005 263 D CB -0.715 40.029 40.800 -0.092 0.000 1.123 263 D HN 0.818 nan 8.370 nan 0.000 0.407 264 E N -1.345 118.702 120.200 -0.256 0.000 2.508 264 E HA 0.186 4.545 4.350 0.014 0.000 0.217 264 E C 0.338 176.500 176.600 -0.730 0.000 0.896 264 E CA 0.057 56.130 56.400 -0.545 0.000 1.118 264 E CB 0.649 29.872 29.700 -0.794 0.000 1.133 264 E HN 0.126 nan 8.360 nan 0.000 0.526 265 F N 0.283 120.260 119.950 0.046 0.000 2.639 265 F HA 0.519 5.054 4.527 0.014 0.000 0.339 265 F C 0.120 176.006 175.800 0.143 0.000 1.071 265 F CA -1.103 56.967 58.000 0.118 0.000 0.994 265 F CB 1.743 40.908 39.000 0.275 0.000 1.341 265 F HN -0.375 nan 8.300 nan 0.000 0.498 266 S N 0.914 116.818 115.700 0.340 0.000 2.538 266 S HA 0.658 5.137 4.470 0.014 0.000 0.288 266 S C -0.969 173.731 174.600 0.166 0.000 1.108 266 S CA -0.534 57.761 58.200 0.159 0.000 0.971 266 S CB 1.367 64.531 63.200 -0.059 0.000 1.041 266 S HN 0.366 nan 8.310 nan 0.000 0.483 267 I N 3.358 124.008 120.570 0.134 0.000 2.354 267 I HA 0.454 4.633 4.170 0.014 0.000 0.292 267 I C -0.824 175.340 176.117 0.078 0.000 0.989 267 I CA -0.478 60.859 61.300 0.061 0.000 1.188 267 I CB 1.106 39.094 38.000 -0.020 0.000 1.342 267 I HN 0.455 nan 8.210 nan 0.000 0.457 268 I N 5.718 126.304 120.570 0.026 0.000 2.362 268 I HA 0.688 4.866 4.170 0.014 0.000 0.289 268 I C 0.290 176.410 176.117 0.006 0.000 0.994 268 I CA -0.203 61.115 61.300 0.031 0.000 1.158 268 I CB 1.726 39.690 38.000 -0.060 0.000 1.315 268 I HN 0.691 nan 8.210 nan 0.000 0.451 269 G N 3.027 111.858 108.800 0.051 0.000 2.576 269 G HA2 0.531 4.500 3.960 0.014 0.000 0.290 269 G HA3 0.531 4.500 3.960 0.014 0.000 0.290 269 G C -1.356 173.547 174.900 0.006 0.000 1.442 269 G CA -0.230 44.746 45.100 -0.206 0.000 0.792 269 G HN 0.442 nan 8.290 nan 0.000 0.491 270 T N -1.615 112.884 114.554 -0.091 0.000 2.598 270 T HA 0.873 5.232 4.350 0.014 0.000 0.254 270 T C 0.105 174.715 174.700 -0.149 0.000 0.889 270 T CA 0.559 62.444 62.100 -0.359 0.000 1.091 270 T CB 1.425 69.963 68.868 -0.549 0.000 1.437 270 T HN 1.452 nan 8.240 nan 0.000 0.542 271 T N -0.775 113.659 114.554 -0.200 0.000 2.838 271 T HA 0.682 5.041 4.350 0.014 0.000 0.292 271 T C -1.829 172.761 174.700 -0.184 0.000 1.113 271 T CA -0.792 61.170 62.100 -0.230 0.000 1.008 271 T CB 1.769 70.458 68.868 -0.299 0.000 1.259 271 T HN 0.398 nan 8.240 nan 0.000 0.520 272 D N 1.215 121.492 120.400 -0.204 0.000 2.346 272 D HA 0.450 5.099 4.640 0.014 0.000 0.255 272 D C -1.118 175.106 176.300 -0.127 0.000 1.276 272 D CA -0.135 53.789 54.000 -0.127 0.000 0.941 272 D CB 1.744 42.488 40.800 -0.093 0.000 1.199 272 D HN 0.431 nan 8.370 nan 0.000 0.537 273 V N 1.831 121.685 119.914 -0.100 0.000 2.378 273 V HA 0.169 4.298 4.120 0.014 0.000 0.288 273 V C 0.441 176.530 176.094 -0.008 0.000 1.016 273 V CA -0.900 61.360 62.300 -0.067 0.000 0.840 273 V CB 1.912 33.696 31.823 -0.065 0.000 0.994 273 V HN 0.289 nan 8.190 nan 0.000 0.431 274 E N 3.525 123.718 120.200 -0.012 0.000 2.529 274 E HA 0.021 4.380 4.350 0.014 0.000 0.259 274 E C -1.282 175.355 176.600 0.061 0.000 0.966 274 E CA 0.696 57.102 56.400 0.011 0.000 0.937 274 E CB 0.241 29.931 29.700 -0.017 0.000 0.923 274 E HN 0.568 nan 8.360 nan 0.000 0.468 275 Y N 3.375 123.633 120.300 -0.070 0.000 2.462 275 Y HA 0.406 4.965 4.550 0.014 0.000 0.346 275 Y C -1.059 174.799 175.900 -0.071 0.000 0.976 275 Y CA -0.896 57.160 58.100 -0.074 0.000 1.044 275 Y CB 1.226 39.634 38.460 -0.087 0.000 1.230 275 Y HN 0.502 nan 8.280 nan 0.000 0.455 276 K N 4.402 124.419 120.400 -0.638 0.000 2.482 276 K HA 0.883 5.211 4.320 0.014 0.000 0.251 276 K C -0.618 175.624 176.600 -0.597 0.000 0.936 276 K CA -0.504 55.542 56.287 -0.403 0.000 0.791 276 K CB 2.201 34.558 32.500 -0.239 0.000 1.213 276 K HN 1.019 nan 8.250 nan 0.000 0.428 277 G N 1.487 110.129 108.800 -0.263 0.000 2.270 277 G HA2 -0.103 3.866 3.960 0.014 0.000 0.268 277 G HA3 -0.103 3.866 3.960 0.014 0.000 0.268 277 G C -1.819 173.119 174.900 0.065 0.000 1.312 277 G CA -0.681 44.333 45.100 -0.143 0.000 1.050 277 G HN 0.690 nan 8.290 nan 0.000 0.474 278 D N 1.030 121.501 120.400 0.117 0.000 2.339 278 D HA 0.418 5.066 4.640 0.014 0.000 0.256 278 D C -1.051 175.348 176.300 0.165 0.000 1.214 278 D CA -1.506 52.583 54.000 0.148 0.000 0.877 278 D CB 1.571 42.466 40.800 0.159 0.000 1.111 278 D HN -0.017 nan 8.370 nan 0.000 0.478 279 P HA -0.074 nan 4.420 nan 0.000 0.225 279 P C 0.834 178.091 177.300 -0.072 0.000 1.148 279 P CA 0.816 63.749 63.100 -0.278 0.000 0.779 279 P CB 0.404 31.567 31.700 -0.895 0.000 0.780 280 K N -0.758 119.738 120.400 0.160 0.000 2.418 280 K HA 0.191 4.520 4.320 0.014 0.000 0.195 280 K C 1.513 178.171 176.600 0.097 0.000 1.035 280 K CA 0.409 56.808 56.287 0.188 0.000 1.003 280 K CB -0.542 32.121 32.500 0.272 0.000 0.793 280 K HN -0.049 nan 8.250 nan 0.000 0.494 281 A N 0.040 122.918 122.820 0.097 0.000 2.423 281 A HA 0.167 4.496 4.320 0.014 0.000 0.246 281 A C 0.050 177.673 177.584 0.065 0.000 1.278 281 A CA -0.351 51.737 52.037 0.085 0.000 0.903 281 A CB 0.119 19.185 19.000 0.110 0.000 0.997 281 A HN 0.050 nan 8.150 nan 0.000 0.510 282 V N 1.865 121.763 119.914 -0.026 0.000 2.655 282 V HA 0.386 4.515 4.120 0.014 0.000 0.300 282 V C -0.076 175.961 176.094 -0.096 0.000 1.044 282 V CA 0.352 62.571 62.300 -0.135 0.000 1.095 282 V CB 0.535 32.093 31.823 -0.442 0.000 0.952 282 V HN 0.647 nan 8.190 nan 0.000 0.485 283 K N 5.506 125.865 120.400 -0.068 0.000 2.556 283 K HA 0.518 4.846 4.320 0.014 0.000 0.274 283 K C -0.764 175.782 176.600 -0.091 0.000 0.966 283 K CA -0.999 55.235 56.287 -0.089 0.000 0.865 283 K CB 1.852 34.315 32.500 -0.062 0.000 1.444 283 K HN 0.567 nan 8.250 nan 0.000 0.433 284 I N 1.521 122.014 120.570 -0.128 0.000 2.752 284 I HA -0.017 4.162 4.170 0.014 0.000 0.287 284 I C -0.281 175.787 176.117 -0.083 0.000 1.188 284 I CA 0.360 61.584 61.300 -0.127 0.000 1.427 284 I CB 0.628 38.526 38.000 -0.169 0.000 1.365 284 I HN 0.622 nan 8.210 nan 0.000 0.585 285 E N 4.447 124.604 120.200 -0.071 0.000 2.232 285 E HA 0.088 4.447 4.350 0.014 0.000 0.265 285 E C 0.279 176.853 176.600 -0.044 0.000 1.001 285 E CA -0.506 55.865 56.400 -0.047 0.000 0.870 285 E CB 1.456 31.133 29.700 -0.039 0.000 1.175 285 E HN 0.553 nan 8.360 nan 0.000 0.407 286 E N 1.026 121.208 120.200 -0.030 0.000 2.085 286 E HA -0.223 4.136 4.350 0.014 0.000 0.194 286 E C 1.780 178.374 176.600 -0.010 0.000 0.994 286 E CA 2.277 58.664 56.400 -0.020 0.000 0.801 286 E CB -0.193 29.499 29.700 -0.013 0.000 0.743 286 E HN 0.486 nan 8.360 nan 0.000 0.453 287 S N -0.283 115.412 115.700 -0.010 0.000 2.399 287 S HA -0.167 4.311 4.470 0.014 0.000 0.231 287 S C 1.910 176.524 174.600 0.022 0.000 1.022 287 S CA 1.213 59.418 58.200 0.008 0.000 0.983 287 S CB -0.368 62.827 63.200 -0.007 0.000 0.803 287 S HN 0.357 nan 8.310 nan 0.000 0.480 288 E N 1.043 121.230 120.200 -0.021 0.000 2.072 288 E HA -0.008 4.351 4.350 0.014 0.000 0.191 288 E C 2.009 178.625 176.600 0.026 0.000 0.985 288 E CA 1.322 57.704 56.400 -0.030 0.000 0.801 288 E CB -0.331 29.312 29.700 -0.095 0.000 0.750 288 E HN 0.580 nan 8.360 nan 0.000 0.452 289 I N 1.820 122.386 120.570 -0.008 0.000 2.179 289 I HA -0.291 3.887 4.170 0.014 0.000 0.242 289 I C 1.934 178.065 176.117 0.025 0.000 1.088 289 I CA 0.852 62.145 61.300 -0.011 0.000 1.357 289 I CB -0.331 37.651 38.000 -0.030 0.000 1.051 289 I HN 0.103 nan 8.210 nan 0.000 0.409 290 N N 0.279 119.003 118.700 0.040 0.000 2.166 290 N HA -0.252 4.497 4.740 0.014 0.000 0.186 290 N C 1.788 177.345 175.510 0.079 0.000 1.019 290 N CA 1.442 54.521 53.050 0.049 0.000 0.856 290 N CB -0.626 37.888 38.487 0.045 0.000 0.993 290 N HN 0.436 nan 8.380 nan 0.000 0.426 291 Y N 1.730 122.017 120.300 -0.022 0.000 2.133 291 Y HA -0.060 4.498 4.550 0.014 0.000 0.287 291 Y C 2.265 178.161 175.900 -0.007 0.000 1.134 291 Y CA 1.344 59.434 58.100 -0.017 0.000 1.133 291 Y CB -0.396 38.043 38.460 -0.034 0.000 0.987 291 Y HN -0.075 nan 8.280 nan 0.000 0.502 292 L N -0.406 120.894 121.223 0.128 0.000 2.046 292 L HA -0.239 4.110 4.340 0.014 0.000 0.208 292 L C 2.440 179.314 176.870 0.006 0.000 1.077 292 L CA 1.174 56.033 54.840 0.031 0.000 0.747 292 L CB -0.631 41.448 42.059 0.033 0.000 0.896 292 L HN 0.314 nan 8.230 nan 0.000 0.432 293 L N -0.178 121.055 121.223 0.017 0.000 2.093 293 L HA -0.217 4.132 4.340 0.014 0.000 0.208 293 L C 2.531 179.453 176.870 0.086 0.000 1.085 293 L CA 1.196 56.067 54.840 0.052 0.000 0.755 293 L CB -0.695 41.379 42.059 0.026 0.000 0.904 293 L HN 0.477 nan 8.230 nan 0.000 0.435 294 N N 0.282 118.988 118.700 0.010 0.000 2.058 294 N HA -0.200 4.548 4.740 0.014 0.000 0.191 294 N C 1.951 177.458 175.510 -0.005 0.000 1.037 294 N CA 1.690 54.733 53.050 -0.012 0.000 0.848 294 N CB -0.001 38.448 38.487 -0.064 0.000 1.021 294 N HN 0.175 nan 8.380 nan 0.000 0.422 295 V N 0.724 120.598 119.914 -0.067 0.000 2.490 295 V HA -0.210 3.919 4.120 0.014 0.000 0.250 295 V C 2.119 178.322 176.094 0.181 0.000 1.061 295 V CA 1.767 64.072 62.300 0.008 0.000 1.064 295 V CB -0.845 30.897 31.823 -0.135 0.000 0.670 295 V HN 0.457 nan 8.190 nan 0.000 0.461 296 Y N 1.471 121.813 120.300 0.070 0.000 2.133 296 Y HA -0.157 4.402 4.550 0.014 0.000 0.287 296 Y C 2.391 178.432 175.900 0.235 0.000 1.134 296 Y CA 2.277 60.470 58.100 0.155 0.000 1.133 296 Y CB -0.391 38.066 38.460 -0.005 0.000 0.987 296 Y HN 0.330 nan 8.280 nan 0.000 0.502 297 N N -0.504 118.284 118.700 0.147 0.000 2.443 297 N HA -0.123 4.626 4.740 0.014 0.000 0.184 297 N C 1.558 177.045 175.510 -0.039 0.000 1.037 297 N CA 1.552 54.632 53.050 0.050 0.000 0.896 297 N CB -0.356 38.203 38.487 0.120 0.000 0.959 297 N HN 0.414 nan 8.380 nan 0.000 0.442 298 T N -0.428 114.110 114.554 -0.027 0.000 2.985 298 T HA 0.010 4.369 4.350 0.014 0.000 0.266 298 T C 1.339 175.874 174.700 -0.275 0.000 1.076 298 T CA 0.745 62.768 62.100 -0.127 0.000 1.135 298 T CB 0.106 68.902 68.868 -0.120 0.000 0.890 298 T HN 0.413 nan 8.240 nan 0.000 0.480 299 H N -1.214 117.726 119.070 -0.217 0.000 2.476 299 H HA 0.244 4.809 4.556 0.015 0.000 0.292 299 H C 0.017 174.979 175.328 -0.609 0.000 1.019 299 H CA 0.285 56.094 56.048 -0.398 0.000 1.330 299 H CB 0.316 29.805 29.762 -0.456 0.000 1.451 299 H HN 0.297 nan 8.280 nan 0.000 0.535 300 F N 1.268 120.963 119.950 -0.424 0.000 2.397 300 F HA 0.227 4.762 4.527 0.014 0.000 0.331 300 F C 1.576 177.212 175.800 -0.274 0.000 1.090 300 F CA -0.646 57.087 58.000 -0.445 0.000 1.065 300 F CB 1.732 40.276 39.000 -0.760 0.000 1.184 300 F HN -0.251 nan 8.300 nan 0.000 0.499 301 K N 0.824 121.224 120.400 -0.000 0.000 2.001 301 K HA -0.116 4.212 4.320 0.014 0.000 0.208 301 K C 0.715 177.354 176.600 0.064 0.000 1.048 301 K CA 0.963 57.255 56.287 0.009 0.000 0.932 301 K CB -0.056 32.449 32.500 0.009 0.000 0.715 301 K HN 0.390 nan 8.250 nan 0.000 0.437 302 K N 2.763 123.237 120.400 0.124 0.000 2.307 302 K HA -0.054 4.275 4.320 0.014 0.000 0.285 302 K C -0.487 176.243 176.600 0.217 0.000 1.073 302 K CA 0.006 56.382 56.287 0.148 0.000 0.996 302 K CB 0.372 32.972 32.500 0.166 0.000 0.994 302 K HN 0.012 nan 8.250 nan 0.000 0.452 303 Q N 3.457 123.351 119.800 0.155 0.000 2.352 303 Q HA 0.185 4.534 4.340 0.014 0.000 0.260 303 Q C -0.104 175.995 176.000 0.166 0.000 0.976 303 Q CA 0.043 55.953 55.803 0.179 0.000 0.881 303 Q CB 1.120 29.915 28.738 0.095 0.000 1.235 303 Q HN 0.588 nan 8.270 nan 0.000 0.419 304 L N 0.998 122.328 121.223 0.179 0.000 2.342 304 L HA 0.498 4.847 4.340 0.014 0.000 0.271 304 L C 0.241 177.128 176.870 0.028 0.000 1.008 304 L CA -0.573 54.288 54.840 0.035 0.000 0.818 304 L CB 1.968 43.941 42.059 -0.143 0.000 1.296 304 L HN 0.731 nan 8.230 nan 0.000 0.427 305 S N 1.058 116.758 115.700 -0.000 0.000 2.709 305 S HA 0.489 4.968 4.470 0.014 0.000 0.302 305 S C 0.672 175.265 174.600 -0.012 0.000 1.127 305 S CA -0.874 57.328 58.200 0.003 0.000 0.905 305 S CB 2.022 65.228 63.200 0.010 0.000 1.151 305 S HN 0.620 nan 8.310 nan 0.000 0.510 306 R N 0.322 120.817 120.500 -0.007 0.000 2.117 306 R HA -0.100 4.248 4.340 0.014 0.000 0.243 306 R C 0.904 177.199 176.300 -0.009 0.000 1.143 306 R CA 2.019 58.111 56.100 -0.012 0.000 0.968 306 R CB -0.494 29.801 30.300 -0.008 0.000 0.863 306 R HN 0.689 nan 8.270 nan 0.000 0.444 307 D N 0.334 120.733 120.400 -0.002 0.000 2.309 307 D HA -0.125 4.523 4.640 0.014 0.000 0.212 307 D C 0.866 177.170 176.300 0.007 0.000 0.968 307 D CA 0.943 54.946 54.000 0.005 0.000 0.882 307 D CB -0.104 40.701 40.800 0.009 0.000 0.918 307 D HN 0.269 nan 8.370 nan 0.000 0.503 308 D N 0.420 120.818 120.400 -0.003 0.000 2.323 308 D HA 0.029 4.678 4.640 0.014 0.000 0.209 308 D C 1.025 177.328 176.300 0.004 0.000 0.973 308 D CA 0.027 54.026 54.000 -0.003 0.000 0.874 308 D CB 0.744 41.528 40.800 -0.027 0.000 0.930 308 D HN 0.279 nan 8.370 nan 0.000 0.521 309 I N 1.393 121.960 120.570 -0.005 0.000 2.598 309 I HA -0.095 4.083 4.170 0.014 0.000 0.284 309 I C 1.468 177.609 176.117 0.040 0.000 1.140 309 I CA -0.061 61.241 61.300 0.003 0.000 1.420 309 I CB 1.593 39.580 38.000 -0.022 0.000 1.387 309 I HN -0.239 nan 8.210 nan 0.000 0.553 310 V N 7.057 127.016 119.914 0.074 0.000 3.565 310 V HA 0.137 4.266 4.120 0.014 0.000 0.260 310 V C -0.297 175.916 176.094 0.197 0.000 1.231 310 V CA 0.435 62.795 62.300 0.100 0.000 1.100 310 V CB 0.451 32.325 31.823 0.085 0.000 0.807 310 V HN 0.808 nan 8.190 nan 0.000 0.454 311 W N -0.675 120.593 121.300 -0.053 0.000 3.161 311 W HA 0.504 5.173 4.660 0.014 0.000 0.314 311 W C -1.025 175.465 176.519 -0.049 0.000 1.245 311 W CA -0.264 57.051 57.345 -0.051 0.000 1.191 311 W CB 0.948 30.395 29.460 -0.022 0.000 1.392 311 W HN -0.037 nan 8.180 nan 0.000 0.568 312 T N 1.269 115.378 114.554 -0.742 0.000 2.900 312 T HA 0.809 5.167 4.350 0.014 0.000 0.303 312 T C -1.435 172.597 174.700 -1.113 0.000 1.142 312 T CA -0.577 61.088 62.100 -0.725 0.000 1.007 312 T CB 2.069 70.689 68.868 -0.415 0.000 1.156 312 T HN 0.938 nan 8.240 nan 0.000 0.490 313 Y N -1.172 118.593 120.300 -0.892 0.000 2.588 313 Y HA 0.882 5.440 4.550 0.014 0.000 0.343 313 Y C -0.629 175.045 175.900 -0.377 0.000 1.065 313 Y CA -1.120 56.517 58.100 -0.771 0.000 1.038 313 Y CB 1.566 39.477 38.460 -0.916 0.000 1.297 313 Y HN 0.907 nan 8.280 nan 0.000 0.467 314 S N 0.137 115.771 115.700 -0.111 0.000 2.570 314 S HA 0.903 5.382 4.470 0.014 0.000 0.270 314 S C -0.887 173.669 174.600 -0.072 0.000 1.149 314 S CA 0.001 58.130 58.200 -0.119 0.000 0.837 314 S CB 1.687 64.781 63.200 -0.177 0.000 1.124 314 S HN 1.650 nan 8.310 nan 0.000 0.465 315 G N 0.414 109.155 108.800 -0.098 0.000 2.660 315 G HA2 0.624 4.593 3.960 0.014 0.000 0.290 315 G HA3 0.624 4.593 3.960 0.014 0.000 0.290 315 G C -1.316 173.468 174.900 -0.195 0.000 1.432 315 G CA -0.079 44.947 45.100 -0.123 0.000 0.807 315 G HN 1.481 nan 8.290 nan 0.000 0.485 316 V N -1.565 118.209 119.914 -0.234 0.000 2.448 316 V HA 0.717 4.846 4.120 0.014 0.000 0.295 316 V C -0.087 175.919 176.094 -0.148 0.000 1.025 316 V CA -1.344 60.807 62.300 -0.249 0.000 0.859 316 V CB 1.349 32.935 31.823 -0.394 0.000 0.988 316 V HN 0.747 nan 8.190 nan 0.000 0.431 317 R N 5.629 126.073 120.500 -0.094 0.000 2.347 317 R HA 0.358 4.707 4.340 0.014 0.000 0.304 317 R C -2.398 173.870 176.300 -0.052 0.000 1.072 317 R CA -1.350 54.719 56.100 -0.052 0.000 0.980 317 R CB 0.893 31.178 30.300 -0.024 0.000 0.986 317 R HN 0.611 nan 8.270 nan 0.000 0.448 318 P HA 0.121 nan 4.420 nan 0.000 0.234 318 P C -0.729 176.580 177.300 0.015 0.000 1.799 318 P CA -0.069 63.015 63.100 -0.026 0.000 1.118 318 P CB 0.381 32.057 31.700 -0.039 0.000 1.827 319 L N 2.532 123.763 121.223 0.012 0.000 2.305 319 L HA 0.287 4.636 4.340 0.014 0.000 0.281 319 L C 1.219 178.114 176.870 0.041 0.000 1.085 319 L CA -0.847 54.000 54.840 0.012 0.000 0.813 319 L CB 1.126 43.171 42.059 -0.024 0.000 1.157 319 L HN 0.305 nan 8.230 nan 0.000 0.436 320 C N 3.396 122.720 119.300 0.039 0.000 2.616 320 C HA -0.060 4.408 4.460 0.014 0.000 0.402 320 C C 0.867 175.838 174.990 -0.032 0.000 1.436 320 C CA -0.565 58.462 59.018 0.015 0.000 1.521 320 C CB -1.123 26.551 27.740 -0.110 0.000 2.413 320 C HN 0.756 nan 8.230 nan 0.000 0.617 321 D N 4.284 124.689 120.400 0.007 0.000 2.376 321 D HA 0.010 4.659 4.640 0.014 0.000 0.278 321 D C 0.848 177.133 176.300 -0.025 0.000 1.384 321 D CA 0.335 54.333 54.000 -0.003 0.000 1.033 321 D CB 0.356 41.170 40.800 0.022 0.000 1.102 321 D HN 0.740 nan 8.370 nan 0.000 0.530 322 D N 2.349 122.723 120.400 -0.044 0.000 2.328 322 D HA -0.002 4.647 4.640 0.014 0.000 0.221 322 D C -0.041 176.241 176.300 -0.030 0.000 1.072 322 D CA -0.183 53.789 54.000 -0.046 0.000 0.850 322 D CB -0.404 40.355 40.800 -0.068 0.000 0.922 322 D HN 0.601 nan 8.370 nan 0.000 0.516 323 E N -0.509 119.677 120.200 -0.023 0.000 2.596 323 E HA -0.136 4.223 4.350 0.014 0.000 0.272 323 E C -0.794 175.794 176.600 -0.019 0.000 1.039 323 E CA 0.390 56.779 56.400 -0.018 0.000 0.804 323 E CB -2.054 27.638 29.700 -0.014 0.000 1.373 323 E HN 0.361 nan 8.360 nan 0.000 0.404 324 S N 0.098 115.782 115.700 -0.026 0.000 2.576 324 S HA 0.118 4.596 4.470 0.014 0.000 0.276 324 S C 0.857 175.446 174.600 -0.019 0.000 1.339 324 S CA -0.098 58.087 58.200 -0.025 0.000 1.039 324 S CB 1.650 64.826 63.200 -0.040 0.000 0.902 324 S HN 0.282 nan 8.310 nan 0.000 0.516 325 D N 1.352 121.745 120.400 -0.013 0.000 2.162 325 D HA -0.025 4.624 4.640 0.014 0.000 0.203 325 D C 0.591 176.882 176.300 -0.014 0.000 0.967 325 D CA 0.805 54.799 54.000 -0.011 0.000 0.840 325 D CB 0.254 41.051 40.800 -0.006 0.000 0.972 325 D HN 0.459 nan 8.370 nan 0.000 0.482 326 S N -0.904 114.788 115.700 -0.013 0.000 2.437 326 S HA 0.346 4.825 4.470 0.014 0.000 0.305 326 S C -1.954 172.629 174.600 -0.029 0.000 1.109 326 S CA -1.728 56.463 58.200 -0.015 0.000 1.099 326 S CB 1.464 64.664 63.200 -0.000 0.000 1.004 326 S HN -0.160 nan 8.310 nan 0.000 0.475 327 P HA -0.222 nan 4.420 nan 0.000 0.216 327 P C 1.453 178.722 177.300 -0.051 0.000 1.154 327 P CA 1.293 64.367 63.100 -0.043 0.000 0.865 327 P CB 0.017 31.689 31.700 -0.045 0.000 0.789 328 Q N -0.863 118.911 119.800 -0.042 0.000 2.291 328 Q HA -0.081 4.268 4.340 0.014 0.000 0.206 328 Q C 1.717 177.658 176.000 -0.098 0.000 0.976 328 Q CA 1.669 57.450 55.803 -0.037 0.000 0.875 328 Q CB -0.785 27.951 28.738 -0.003 0.000 0.927 328 Q HN 0.143 nan 8.270 nan 0.000 0.450 329 A N 1.070 123.828 122.820 -0.102 0.000 2.147 329 A HA 0.233 4.561 4.320 0.014 0.000 0.211 329 A C 1.044 178.492 177.584 -0.227 0.000 1.160 329 A CA -0.416 51.500 52.037 -0.201 0.000 0.781 329 A CB -0.083 18.913 19.000 -0.007 0.000 0.842 329 A HN 0.326 nan 8.150 nan 0.000 0.475 330 I N 1.034 121.515 120.570 -0.149 0.000 2.815 330 I HA -0.033 4.146 4.170 0.014 0.000 0.291 330 I C 1.083 177.081 176.117 -0.198 0.000 1.209 330 I CA 0.132 61.351 61.300 -0.135 0.000 1.431 330 I CB 0.474 38.419 38.000 -0.092 0.000 1.351 330 I HN 0.093 nan 8.210 nan 0.000 0.585 331 T N 4.624 119.064 114.554 -0.190 0.000 2.930 331 T HA 0.100 4.459 4.350 0.014 0.000 0.306 331 T C 0.901 175.448 174.700 -0.255 0.000 1.045 331 T CA -0.120 61.831 62.100 -0.248 0.000 1.134 331 T CB 0.439 69.188 68.868 -0.198 0.000 0.961 331 T HN 0.487 nan 8.240 nan 0.000 0.545 332 R N 1.985 122.252 120.500 -0.388 0.000 2.362 332 R HA 0.300 4.649 4.340 0.014 0.000 0.227 332 R C 0.265 176.449 176.300 -0.193 0.000 0.905 332 R CA -0.210 55.697 56.100 -0.321 0.000 1.067 332 R CB -0.031 29.935 30.300 -0.557 0.000 1.078 332 R HN 0.598 nan 8.270 nan 0.000 0.516 333 D N -0.005 120.274 120.400 -0.202 0.000 2.357 333 D HA -0.019 4.630 4.640 0.014 0.000 0.242 333 D C -0.321 175.945 176.300 -0.057 0.000 1.153 333 D CA -0.069 53.848 54.000 -0.139 0.000 0.918 333 D CB 0.590 41.253 40.800 -0.227 0.000 1.181 333 D HN 0.019 nan 8.370 nan 0.000 0.435 334 Y N -1.290 118.971 120.300 -0.065 0.000 2.488 334 Y HA 0.648 5.206 4.550 0.014 0.000 0.325 334 Y C -0.256 175.614 175.900 -0.050 0.000 1.204 334 Y CA -0.895 57.185 58.100 -0.033 0.000 1.229 334 Y CB 0.809 39.274 38.460 0.008 0.000 1.274 334 Y HN 0.003 nan 8.280 nan 0.000 0.493 335 T N 3.439 118.065 114.554 0.120 0.000 2.928 335 T HA 0.525 4.884 4.350 0.014 0.000 0.296 335 T C -0.962 173.873 174.700 0.225 0.000 1.000 335 T CA -0.648 61.446 62.100 -0.010 0.000 0.989 335 T CB 0.767 69.427 68.868 -0.348 0.000 1.005 335 T HN 0.596 nan 8.240 nan 0.000 0.442 336 L N 2.836 124.188 121.223 0.215 0.000 2.322 336 L HA 0.653 5.002 4.340 0.014 0.000 0.281 336 L C -0.507 176.533 176.870 0.284 0.000 1.014 336 L CA -0.854 54.160 54.840 0.290 0.000 0.815 336 L CB 1.811 44.027 42.059 0.261 0.000 1.247 336 L HN 0.614 nan 8.230 nan 0.000 0.421 337 D N 3.060 123.681 120.400 0.370 0.000 2.505 337 D HA 0.597 5.246 4.640 0.014 0.000 0.249 337 D C -1.295 175.188 176.300 0.305 0.000 1.082 337 D CA -0.326 53.879 54.000 0.342 0.000 0.839 337 D CB 2.224 43.272 40.800 0.413 0.000 1.317 337 D HN 0.420 nan 8.370 nan 0.000 0.497 338 I N 3.538 124.263 120.570 0.258 0.000 2.582 338 I HA 0.434 4.613 4.170 0.014 0.000 0.292 338 I C -1.810 174.491 176.117 0.306 0.000 1.066 338 I CA -0.566 60.883 61.300 0.248 0.000 1.053 338 I CB 1.485 39.604 38.000 0.200 0.000 1.241 338 I HN 0.524 nan 8.210 nan 0.000 0.421 339 H N 5.214 124.383 119.070 0.165 0.000 2.954 339 H HA 0.362 4.928 4.556 0.016 0.000 0.361 339 H C -1.874 173.544 175.328 0.149 0.000 1.122 339 H CA -0.719 55.426 56.048 0.162 0.000 1.217 339 H CB 2.095 31.962 29.762 0.175 0.000 1.776 339 H HN 0.788 nan 8.280 nan 0.000 0.533 340 D N 1.880 122.140 120.400 -0.235 0.000 2.525 340 D HA 0.278 4.927 4.640 0.014 0.000 0.249 340 D C -0.711 175.384 176.300 -0.342 0.000 1.072 340 D CA -0.781 53.113 54.000 -0.176 0.000 1.067 340 D CB 1.788 42.642 40.800 0.090 0.000 1.282 340 D HN 0.386 nan 8.370 nan 0.000 0.587 341 E N -0.332 119.754 120.200 -0.190 0.000 2.235 341 E HA 0.311 4.669 4.350 0.014 0.000 0.252 341 E C -0.951 175.590 176.600 -0.100 0.000 0.886 341 E CA -0.641 55.655 56.400 -0.173 0.000 0.767 341 E CB -0.130 29.449 29.700 -0.203 0.000 1.205 341 E HN 0.481 nan 8.360 nan 0.000 0.421 342 N N 3.821 122.482 118.700 -0.066 0.000 2.754 342 N HA -0.214 4.534 4.740 0.014 0.000 0.248 342 N C 0.608 176.109 175.510 -0.016 0.000 1.093 342 N CA 1.290 54.318 53.050 -0.036 0.000 0.699 342 N CB -1.354 37.108 38.487 -0.042 0.000 1.016 342 N HN 0.987 nan 8.380 nan 0.000 0.552 343 G N -1.374 107.433 108.800 0.011 0.000 2.162 343 G HA2 -0.361 3.608 3.960 0.014 0.000 0.260 343 G HA3 -0.361 3.608 3.960 0.014 0.000 0.260 343 G C 0.152 175.128 174.900 0.127 0.000 0.976 343 G CA 1.289 46.419 45.100 0.050 0.000 0.655 343 G HN 0.591 nan 8.290 nan 0.000 0.533 344 K N -1.145 119.307 120.400 0.086 0.000 2.372 344 K HA 0.741 5.070 4.320 0.014 0.000 0.251 344 K C 0.666 177.248 176.600 -0.030 0.000 1.055 344 K CA -0.698 55.635 56.287 0.077 0.000 0.879 344 K CB 1.686 34.181 32.500 -0.008 0.000 1.384 344 K HN 1.462 nan 8.250 nan 0.000 0.465 345 A N 1.246 124.022 122.820 -0.073 0.000 2.362 345 A HA -0.098 4.231 4.320 0.014 0.000 0.290 345 A C -2.284 175.342 177.584 0.070 0.000 1.441 345 A CA 0.026 51.961 52.037 -0.169 0.000 0.743 345 A CB -1.833 16.750 19.000 -0.695 0.000 1.125 345 A HN 0.338 nan 8.150 nan 0.000 0.378 346 P HA 0.456 nan 4.420 nan 0.000 0.272 346 P C -0.460 176.998 177.300 0.263 0.000 1.223 346 P CA -0.188 62.839 63.100 -0.122 0.000 0.784 346 P CB 1.230 32.400 31.700 -0.884 0.000 0.923 347 L N 3.618 124.978 121.223 0.227 0.000 2.372 347 L HA 0.489 4.838 4.340 0.014 0.000 0.273 347 L C -1.311 175.648 176.870 0.150 0.000 0.989 347 L CA -0.691 54.258 54.840 0.183 0.000 0.841 347 L CB 1.024 43.291 42.059 0.346 0.000 1.225 347 L HN 0.249 nan 8.230 nan 0.000 0.414 348 L N 4.986 126.249 121.223 0.067 0.000 2.280 348 L HA 0.688 5.036 4.340 0.014 0.000 0.287 348 L C -0.319 176.620 176.870 0.115 0.000 1.023 348 L CA -0.107 54.806 54.840 0.121 0.000 0.819 348 L CB 1.367 43.479 42.059 0.089 0.000 1.212 348 L HN 0.859 nan 8.230 nan 0.000 0.420 349 S N 3.804 119.655 115.700 0.252 0.000 2.509 349 S HA 0.737 5.216 4.470 0.014 0.000 0.297 349 S C -0.582 174.144 174.600 0.209 0.000 1.118 349 S CA -0.805 57.544 58.200 0.249 0.000 1.074 349 S CB 1.994 65.568 63.200 0.624 0.000 1.038 349 S HN 0.317 nan 8.310 nan 0.000 0.498 350 V N 2.847 122.730 119.914 -0.051 0.000 2.417 350 V HA 0.529 4.657 4.120 0.014 0.000 0.291 350 V C -1.288 174.638 176.094 -0.281 0.000 1.024 350 V CA -0.574 61.709 62.300 -0.029 0.000 0.861 350 V CB 0.453 32.248 31.823 -0.046 0.000 0.985 350 V HN 0.849 nan 8.190 nan 0.000 0.436 351 F N 2.897 122.906 119.950 0.099 0.000 2.477 351 F HA 0.796 5.331 4.527 0.014 0.000 0.335 351 F C 0.880 176.705 175.800 0.042 0.000 1.130 351 F CA 0.215 58.248 58.000 0.055 0.000 0.948 351 F CB 1.657 40.654 39.000 -0.005 0.000 1.154 351 F HN 0.877 nan 8.300 nan 0.000 0.439 352 G N 1.516 110.398 108.800 0.138 0.000 2.698 352 G HA2 0.365 4.334 3.960 0.014 0.000 0.233 352 G HA3 0.365 4.334 3.960 0.014 0.000 0.233 352 G C -0.012 174.947 174.900 0.098 0.000 1.352 352 G CA -0.069 45.091 45.100 0.101 0.000 0.879 352 G HN 2.027 nan 8.290 nan 0.000 0.567 353 G N -1.036 107.830 108.800 0.109 0.000 2.607 353 G HA2 0.346 4.314 3.960 0.014 0.000 0.613 353 G HA3 0.346 4.314 3.960 0.014 0.000 0.613 353 G C -0.164 174.740 174.900 0.006 0.000 1.099 353 G CA 0.608 45.732 45.100 0.040 0.000 1.280 353 G HN 0.897 nan 8.290 nan 0.000 0.573 354 K N 0.802 121.228 120.400 0.042 0.000 2.344 354 K HA 0.304 4.632 4.320 0.014 0.000 0.260 354 K C 1.700 178.319 176.600 0.031 0.000 0.988 354 K CA -0.311 56.005 56.287 0.048 0.000 0.909 354 K CB 0.764 33.312 32.500 0.080 0.000 0.968 354 K HN 0.294 nan 8.250 nan 0.000 0.505 355 L N 1.261 122.503 121.223 0.031 0.000 2.083 355 L HA -0.212 4.137 4.340 0.014 0.000 0.209 355 L C 2.312 179.244 176.870 0.102 0.000 1.083 355 L CA 1.579 56.430 54.840 0.019 0.000 0.752 355 L CB -0.460 41.571 42.059 -0.048 0.000 0.899 355 L HN 0.789 nan 8.230 nan 0.000 0.433 356 T N -1.507 113.090 114.554 0.072 0.000 2.737 356 T HA -0.187 4.172 4.350 0.014 0.000 0.269 356 T C 1.599 176.316 174.700 0.029 0.000 1.040 356 T CA 1.907 64.041 62.100 0.057 0.000 1.142 356 T CB -0.370 68.508 68.868 0.016 0.000 0.861 356 T HN 0.558 nan 8.240 nan 0.000 0.456 357 T N -0.478 114.083 114.554 0.011 0.000 3.145 357 T HA 0.144 4.503 4.350 0.014 0.000 0.255 357 T C 1.570 176.149 174.700 -0.203 0.000 1.039 357 T CA -0.331 61.732 62.100 -0.061 0.000 0.928 357 T CB -0.642 68.258 68.868 0.052 0.000 1.029 357 T HN 0.590 nan 8.240 nan 0.000 0.554 358 Y N 1.953 122.138 120.300 -0.193 0.000 2.207 358 Y HA -0.001 4.557 4.550 0.014 0.000 0.287 358 Y C 2.435 178.201 175.900 -0.224 0.000 1.156 358 Y CA 1.035 58.998 58.100 -0.227 0.000 1.182 358 Y CB -0.361 37.997 38.460 -0.170 0.000 0.979 358 Y HN 0.135 nan 8.280 nan 0.000 0.521 359 R N 0.700 120.355 120.500 -1.409 0.000 2.092 359 R HA -0.115 4.234 4.340 0.014 0.000 0.231 359 R C 2.101 178.052 176.300 -0.581 0.000 1.119 359 R CA 1.306 56.738 56.100 -1.113 0.000 0.970 359 R CB -0.021 29.680 30.300 -0.999 0.000 0.864 359 R HN 0.283 nan 8.270 nan 0.000 0.440 360 K N 0.771 120.900 120.400 -0.452 0.000 2.057 360 K HA -0.124 4.204 4.320 0.014 0.000 0.206 360 K C 2.018 178.384 176.600 -0.390 0.000 1.050 360 K CA 0.549 56.613 56.287 -0.373 0.000 0.935 360 K CB -0.568 31.852 32.500 -0.132 0.000 0.715 360 K HN 0.169 nan 8.250 nan 0.000 0.439 361 L N 1.682 122.689 121.223 -0.359 0.000 1.990 361 L HA -0.148 4.201 4.340 0.014 0.000 0.213 361 L C 2.155 178.920 176.870 -0.175 0.000 1.072 361 L CA 2.291 56.901 54.840 -0.383 0.000 0.755 361 L CB -1.463 40.169 42.059 -0.712 0.000 0.889 361 L HN 0.132 nan 8.230 nan 0.000 0.432 362 A N -0.588 122.098 122.820 -0.224 0.000 1.940 362 A HA -0.209 4.120 4.320 0.014 0.000 0.219 362 A C 2.117 179.617 177.584 -0.139 0.000 1.176 362 A CA 1.681 53.629 52.037 -0.148 0.000 0.631 362 A CB -0.544 18.360 19.000 -0.160 0.000 0.814 362 A HN 0.656 nan 8.150 nan 0.000 0.446 363 E N -0.834 119.218 120.200 -0.245 0.000 2.051 363 E HA -0.197 4.161 4.350 0.014 0.000 0.192 363 E C 1.942 178.482 176.600 -0.099 0.000 0.991 363 E CA 1.327 57.593 56.400 -0.223 0.000 0.799 363 E CB -0.426 29.068 29.700 -0.343 0.000 0.748 363 E HN 0.733 nan 8.360 nan 0.000 0.449 364 H N 0.435 119.522 119.070 0.027 0.000 2.387 364 H HA -0.065 4.500 4.556 0.014 0.000 0.299 364 H C 2.137 177.518 175.328 0.089 0.000 1.099 364 H CA 1.274 57.370 56.048 0.079 0.000 1.315 364 H CB -0.492 29.354 29.762 0.140 0.000 1.380 364 H HN 0.194 nan 8.280 nan 0.000 0.513 365 A N 1.642 124.572 122.820 0.183 0.000 1.883 365 A HA -0.131 4.197 4.320 0.014 0.000 0.217 365 A C 2.512 180.175 177.584 0.132 0.000 1.186 365 A CA 1.233 53.354 52.037 0.140 0.000 0.624 365 A CB -0.638 18.408 19.000 0.077 0.000 0.822 365 A HN 0.215 nan 8.150 nan 0.000 0.444 366 L N -0.222 121.061 121.223 0.099 0.000 2.201 366 L HA -0.130 4.218 4.340 0.014 0.000 0.212 366 L C 2.435 179.397 176.870 0.153 0.000 1.105 366 L CA 2.056 56.965 54.840 0.115 0.000 0.775 366 L CB -1.253 40.853 42.059 0.080 0.000 0.913 366 L HN 0.700 nan 8.230 nan 0.000 0.440 367 E N 0.574 120.863 120.200 0.147 0.000 2.077 367 E HA -0.236 4.123 4.350 0.014 0.000 0.193 367 E C 1.903 178.612 176.600 0.182 0.000 0.989 367 E CA 1.255 57.749 56.400 0.157 0.000 0.800 367 E CB 0.189 29.990 29.700 0.167 0.000 0.746 367 E HN 0.423 nan 8.360 nan 0.000 0.452 368 K N -0.041 120.477 120.400 0.198 0.000 2.228 368 K HA -0.007 4.322 4.320 0.014 0.000 0.202 368 K C 2.026 178.802 176.600 0.295 0.000 1.051 368 K CA 0.608 57.029 56.287 0.222 0.000 0.960 368 K CB 0.135 32.757 32.500 0.204 0.000 0.743 368 K HN 0.201 nan 8.250 nan 0.000 0.458 369 L N 0.381 121.776 121.223 0.286 0.000 2.446 369 L HA -0.017 4.332 4.340 0.014 0.000 0.219 369 L C 1.935 179.105 176.870 0.500 0.000 1.116 369 L CA 0.463 55.534 54.840 0.385 0.000 0.844 369 L CB -0.278 41.982 42.059 0.334 0.000 0.970 369 L HN 0.125 nan 8.230 nan 0.000 0.457 370 T N 0.728 115.492 114.554 0.350 0.000 2.635 370 T HA -0.148 4.210 4.350 0.014 0.000 0.267 370 T C -0.434 174.403 174.700 0.228 0.000 1.040 370 T CA 1.642 63.917 62.100 0.292 0.000 1.156 370 T CB -1.056 67.924 68.868 0.186 0.000 0.863 370 T HN 0.204 nan 8.240 nan 0.000 0.430 371 P HA -0.096 nan 4.420 nan 0.000 0.218 371 P C 0.486 177.649 177.300 -0.227 0.000 1.146 371 P CA 1.104 64.150 63.100 -0.091 0.000 0.813 371 P CB -0.215 31.353 31.700 -0.220 0.000 0.778 372 Y N -3.744 116.511 120.300 -0.075 0.000 2.490 372 Y HA 0.098 4.655 4.550 0.012 0.000 0.281 372 Y C 0.273 175.848 175.900 -0.542 0.000 1.174 372 Y CA 0.193 58.105 58.100 -0.314 0.000 1.295 372 Y CB -0.522 37.674 38.460 -0.439 0.000 1.062 372 Y HN -0.034 nan 8.280 nan 0.000 0.522 373 Y N 1.650 122.048 120.300 0.163 0.000 2.488 373 Y HA 0.250 4.806 4.550 0.011 0.000 0.330 373 Y C -0.434 175.508 175.900 0.070 0.000 1.013 373 Y CA -1.986 56.183 58.100 0.114 0.000 1.304 373 Y CB 0.590 39.119 38.460 0.115 0.000 1.098 373 Y HN -0.022 nan 8.280 nan 0.000 0.498 374 Q N 1.250 121.140 119.800 0.150 0.000 2.289 374 Q HA 0.377 4.725 4.340 0.014 0.000 0.273 374 Q C 0.867 176.929 176.000 0.105 0.000 1.029 374 Q CA 0.568 56.429 55.803 0.097 0.000 0.896 374 Q CB 1.105 29.876 28.738 0.056 0.000 1.182 374 Q HN 1.001 nan 8.270 nan 0.000 0.385 375 G N 2.862 111.712 108.800 0.084 0.000 2.141 375 G HA2 -0.279 3.689 3.960 0.014 0.000 0.242 375 G HA3 -0.279 3.689 3.960 0.014 0.000 0.242 375 G C -0.015 174.926 174.900 0.068 0.000 0.982 375 G CA 0.045 45.185 45.100 0.066 0.000 0.662 375 G HN 0.764 nan 8.290 nan 0.000 0.527 376 I N 1.730 122.359 120.570 0.098 0.000 2.634 376 I HA 0.515 4.694 4.170 0.014 0.000 0.284 376 I C 1.261 177.415 176.117 0.062 0.000 1.124 376 I CA 0.259 61.610 61.300 0.084 0.000 1.417 376 I CB 0.554 38.635 38.000 0.135 0.000 1.396 376 I HN 0.201 nan 8.210 nan 0.000 0.571 377 G N 7.326 116.147 108.800 0.035 0.000 2.606 377 G HA2 0.351 4.320 3.960 0.014 0.000 0.252 377 G HA3 0.351 4.320 3.960 0.014 0.000 0.252 377 G C -2.519 172.432 174.900 0.084 0.000 1.206 377 G CA -0.806 44.313 45.100 0.032 0.000 0.861 377 G HN 0.543 nan 8.290 nan 0.000 0.561 378 P HA 0.414 nan 4.420 nan 0.000 0.284 378 P C 0.035 177.465 177.300 0.217 0.000 1.292 378 P CA -0.265 62.911 63.100 0.128 0.000 0.800 378 P CB 0.925 32.682 31.700 0.096 0.000 1.188 379 A N 0.560 123.479 122.820 0.165 0.000 2.536 379 A HA 0.198 4.527 4.320 0.014 0.000 0.234 379 A C 0.711 178.444 177.584 0.249 0.000 1.076 379 A CA 0.362 52.483 52.037 0.139 0.000 0.769 379 A CB -0.756 18.256 19.000 0.020 0.000 1.020 379 A HN 0.943 nan 8.150 nan 0.000 0.508 380 W N -0.683 120.603 121.300 -0.023 0.000 1.387 380 W HA -0.059 4.610 4.660 0.016 0.000 0.154 380 W C 1.023 177.529 176.519 -0.022 0.000 0.714 380 W CA 0.805 58.139 57.345 -0.017 0.000 0.728 380 W CB -1.160 28.294 29.460 -0.010 0.000 0.704 380 W HN 0.842 nan 8.180 nan 0.000 0.528 381 T N 0.217 114.161 114.554 -1.016 0.000 2.849 381 T HA -0.221 4.138 4.350 0.014 0.000 0.270 381 T C 1.656 176.126 174.700 -0.383 0.000 1.066 381 T CA 2.038 63.585 62.100 -0.922 0.000 1.130 381 T CB -0.345 67.956 68.868 -0.945 0.000 0.864 381 T HN 0.232 nan 8.240 nan 0.000 0.481 382 K N 0.879 121.123 120.400 -0.260 0.000 2.152 382 K HA -0.121 4.208 4.320 0.014 0.000 0.206 382 K C 1.618 178.176 176.600 -0.071 0.000 1.048 382 K CA 1.513 57.709 56.287 -0.151 0.000 0.933 382 K CB -0.024 32.408 32.500 -0.114 0.000 0.721 382 K HN 0.333 nan 8.250 nan 0.000 0.447 383 E N 0.216 120.402 120.200 -0.023 0.000 2.474 383 E HA 0.018 4.377 4.350 0.014 0.000 0.195 383 E C -0.047 176.594 176.600 0.067 0.000 1.039 383 E CA -0.137 56.282 56.400 0.032 0.000 0.881 383 E CB 0.890 30.627 29.700 0.061 0.000 0.970 383 E HN 0.291 nan 8.360 nan 0.000 0.486 384 S N -0.361 115.377 115.700 0.063 0.000 2.681 384 S HA 0.527 5.005 4.470 0.014 0.000 0.270 384 S C 0.118 174.765 174.600 0.079 0.000 1.209 384 S CA -0.713 57.563 58.200 0.126 0.000 0.988 384 S CB 1.641 64.971 63.200 0.216 0.000 1.006 384 S HN 0.105 nan 8.310 nan 0.000 0.558 385 V N 0.059 120.035 119.914 0.103 0.000 2.483 385 V HA 0.575 4.704 4.120 0.014 0.000 0.297 385 V C -0.531 175.623 176.094 0.100 0.000 1.027 385 V CA -1.018 61.332 62.300 0.083 0.000 0.855 385 V CB 0.615 32.476 31.823 0.063 0.000 0.995 385 V HN 0.936 nan 8.190 nan 0.000 0.424 386 L N 5.568 126.857 121.223 0.110 0.000 2.483 386 L HA 0.349 4.697 4.340 0.014 0.000 0.275 386 L C -1.949 174.976 176.870 0.091 0.000 1.220 386 L CA -1.282 53.634 54.840 0.126 0.000 0.833 386 L CB 0.301 42.453 42.059 0.155 0.000 1.102 386 L HN 0.440 nan 8.230 nan 0.000 0.490 387 P HA 0.003 nan 4.420 nan 0.000 0.264 387 P C 0.671 177.940 177.300 -0.052 0.000 1.183 387 P CA 1.114 64.241 63.100 0.045 0.000 0.763 387 P CB 0.677 32.437 31.700 0.099 0.000 0.807 388 G N 1.748 110.434 108.800 -0.191 0.000 2.279 388 G HA2 -0.191 3.777 3.960 0.014 0.000 0.223 388 G HA3 -0.191 3.777 3.960 0.014 0.000 0.223 388 G C 0.839 175.256 174.900 -0.805 0.000 1.015 388 G CA 0.038 44.811 45.100 -0.545 0.000 0.621 388 G HN 0.826 nan 8.290 nan 0.000 0.506 389 G N -0.083 108.458 108.800 -0.431 0.000 2.597 389 G HA2 0.483 4.452 3.960 0.014 0.000 0.194 389 G HA3 0.483 4.452 3.960 0.014 0.000 0.194 389 G C 1.372 176.169 174.900 -0.171 0.000 1.625 389 G CA 2.490 47.489 45.100 -0.168 0.000 1.050 389 G HN 2.147 nan 8.290 nan 0.000 0.531 390 A N -1.442 121.334 122.820 -0.073 0.000 2.610 390 A HA -0.145 4.184 4.320 0.014 0.000 0.299 390 A C 0.855 178.374 177.584 -0.108 0.000 1.487 390 A CA 1.563 53.564 52.037 -0.060 0.000 0.743 390 A CB -2.165 16.811 19.000 -0.041 0.000 1.070 390 A HN 1.419 nan 8.150 nan 0.000 0.439 391 I N -4.541 115.948 120.570 -0.135 0.000 5.215 391 I HA 0.703 4.882 4.170 0.014 0.000 0.239 391 I C 0.863 176.983 176.117 0.005 0.000 0.740 391 I CA 0.267 61.454 61.300 -0.189 0.000 2.528 391 I CB 0.253 37.979 38.000 -0.457 0.000 1.449 391 I HN 0.717 nan 8.210 nan 0.000 0.507 392 E N 0.433 120.651 120.200 0.029 0.000 2.480 392 E HA 0.148 4.506 4.350 0.014 0.000 0.256 392 E C -0.062 176.590 176.600 0.087 0.000 1.120 392 E CA 0.229 56.668 56.400 0.064 0.000 0.801 392 E CB -1.295 28.448 29.700 0.072 0.000 0.944 392 E HN 1.017 nan 8.360 nan 0.000 0.437 393 G N 0.525 109.377 108.800 0.086 0.000 3.979 393 G HA2 0.165 4.133 3.960 0.014 0.000 0.113 393 G HA3 0.165 4.133 3.960 0.014 0.000 0.113 393 G C 0.169 175.126 174.900 0.095 0.000 1.904 393 G CA 1.232 46.390 45.100 0.096 0.000 0.982 393 G HN 0.433 nan 8.290 nan 0.000 0.300 394 D N -1.360 119.117 120.400 0.128 0.000 3.894 394 D HA -0.124 4.524 4.640 0.014 0.000 0.214 394 D C 1.671 178.044 176.300 0.121 0.000 0.635 394 D CA 1.526 55.592 54.000 0.111 0.000 1.774 394 D CB -1.173 39.664 40.800 0.062 0.000 1.175 394 D HN 0.295 nan 8.370 nan 0.000 0.602 395 R N 0.240 120.765 120.500 0.042 0.000 2.100 395 R HA 0.152 4.500 4.340 0.014 0.000 0.220 395 R C -0.095 176.228 176.300 0.039 0.000 1.091 395 R CA 0.978 57.087 56.100 0.015 0.000 0.986 395 R CB -0.217 30.058 30.300 -0.042 0.000 0.888 395 R HN 0.307 nan 8.270 nan 0.000 0.444 396 D N 2.441 122.868 120.400 0.044 0.000 2.813 396 D HA -0.098 4.551 4.640 0.014 0.000 0.236 396 D C -0.313 176.029 176.300 0.069 0.000 1.135 396 D CA 1.064 55.094 54.000 0.050 0.000 1.515 396 D CB -0.768 40.067 40.800 0.059 0.000 1.148 396 D HN 0.232 nan 8.370 nan 0.000 0.487 397 D N -1.639 118.785 120.400 0.040 0.000 2.758 397 D HA -0.347 4.302 4.640 0.014 0.000 0.191 397 D C 0.884 177.193 176.300 0.016 0.000 1.036 397 D CA 1.100 55.111 54.000 0.018 0.000 1.030 397 D CB -1.389 39.421 40.800 0.017 0.000 1.109 397 D HN 0.511 nan 8.370 nan 0.000 0.430 398 Y N 0.684 120.989 120.300 0.009 0.000 2.145 398 Y HA -0.009 4.550 4.550 0.015 0.000 0.286 398 Y C 2.345 178.257 175.900 0.020 0.000 1.145 398 Y CA 2.324 60.436 58.100 0.020 0.000 1.148 398 Y CB -0.549 37.932 38.460 0.035 0.000 0.981 398 Y HN 0.123 nan 8.280 nan 0.000 0.507 399 A N 0.100 122.923 122.820 0.005 0.000 1.930 399 A HA -0.060 4.268 4.320 0.014 0.000 0.217 399 A C 2.380 179.894 177.584 -0.118 0.000 1.175 399 A CA 1.703 53.710 52.037 -0.050 0.000 0.627 399 A CB -1.368 17.637 19.000 0.009 0.000 0.815 399 A HN 0.566 nan 8.150 nan 0.000 0.443 400 A N -0.035 122.729 122.820 -0.093 0.000 1.873 400 A HA -0.119 4.210 4.320 0.014 0.000 0.215 400 A C 2.212 179.717 177.584 -0.131 0.000 1.186 400 A CA 1.459 53.440 52.037 -0.094 0.000 0.616 400 A CB -0.444 18.520 19.000 -0.060 0.000 0.823 400 A HN 0.514 nan 8.150 nan 0.000 0.442 401 R N -1.156 119.243 120.500 -0.169 0.000 2.120 401 R HA -0.081 4.268 4.340 0.014 0.000 0.234 401 R C 2.005 178.154 176.300 -0.252 0.000 1.123 401 R CA 1.252 57.235 56.100 -0.196 0.000 0.975 401 R CB -0.442 29.736 30.300 -0.204 0.000 0.866 401 R HN 0.463 nan 8.270 nan 0.000 0.446 402 L N 0.822 121.844 121.223 -0.334 0.000 2.027 402 L HA -0.104 4.245 4.340 0.014 0.000 0.206 402 L C 2.248 179.070 176.870 -0.080 0.000 1.074 402 L CA 1.726 56.434 54.840 -0.220 0.000 0.745 402 L CB -0.292 41.612 42.059 -0.257 0.000 0.898 402 L HN -0.011 nan 8.230 nan 0.000 0.433 403 R N -0.986 119.440 120.500 -0.123 0.000 2.189 403 R HA -0.122 4.226 4.340 0.014 0.000 0.218 403 R C 2.422 178.647 176.300 -0.125 0.000 1.074 403 R CA 0.853 56.879 56.100 -0.123 0.000 0.991 403 R CB -0.065 30.163 30.300 -0.120 0.000 0.883 403 R HN 0.321 nan 8.270 nan 0.000 0.457 404 R N 0.024 120.445 120.500 -0.131 0.000 2.073 404 R HA -0.051 4.298 4.340 0.014 0.000 0.229 404 R C 2.286 178.488 176.300 -0.163 0.000 1.120 404 R CA 1.020 57.044 56.100 -0.126 0.000 0.967 404 R CB -0.039 30.192 30.300 -0.115 0.000 0.862 404 R HN 0.052 nan 8.270 nan 0.000 0.436 405 R N -0.567 119.791 120.500 -0.238 0.000 2.093 405 R HA -0.066 4.282 4.340 0.014 0.000 0.224 405 R C -0.057 175.935 176.300 -0.513 0.000 1.101 405 R CA 1.007 56.863 56.100 -0.407 0.000 0.979 405 R CB 0.227 30.178 30.300 -0.582 0.000 0.877 405 R HN 0.167 nan 8.270 nan 0.000 0.441 406 Y N 1.108 121.297 120.300 -0.185 0.000 2.960 406 Y HA 0.289 4.848 4.550 0.014 0.000 0.343 406 Y C -1.650 173.977 175.900 -0.456 0.000 1.106 406 Y CA -2.642 55.252 58.100 -0.344 0.000 1.221 406 Y CB 1.252 39.367 38.460 -0.575 0.000 1.232 406 Y HN 0.138 nan 8.280 nan 0.000 0.577 407 P HA -0.254 nan 4.420 nan 0.000 0.218 407 P C 1.252 178.527 177.300 -0.042 0.000 1.146 407 P CA 1.550 64.617 63.100 -0.055 0.000 0.813 407 P CB -0.127 31.583 31.700 0.017 0.000 0.778 408 F N -1.135 118.820 119.950 0.008 0.000 2.699 408 F HA 0.135 4.670 4.527 0.014 0.000 0.298 408 F C 0.954 176.731 175.800 -0.040 0.000 1.154 408 F CA -0.404 57.581 58.000 -0.024 0.000 1.457 408 F CB -1.627 37.352 39.000 -0.034 0.000 1.106 408 F HN -0.278 nan 8.300 nan 0.000 0.585 409 L N 2.861 123.785 121.223 -0.498 0.000 2.361 409 L HA 0.212 4.561 4.340 0.014 0.000 0.278 409 L C 1.006 177.760 176.870 -0.194 0.000 1.113 409 L CA -0.594 54.032 54.840 -0.357 0.000 0.849 409 L CB 0.710 42.524 42.059 -0.408 0.000 1.155 409 L HN 0.272 nan 8.230 nan 0.000 0.452 410 T N -1.131 113.333 114.554 -0.150 0.000 2.802 410 T HA 0.032 4.390 4.350 0.014 0.000 0.305 410 T C 0.965 175.576 174.700 -0.148 0.000 1.053 410 T CA -0.484 61.540 62.100 -0.127 0.000 1.058 410 T CB 0.954 69.749 68.868 -0.121 0.000 0.988 410 T HN 0.645 nan 8.240 nan 0.000 0.539 411 E N 0.442 120.566 120.200 -0.127 0.000 2.150 411 E HA -0.123 4.236 4.350 0.014 0.000 0.193 411 E C 2.495 179.009 176.600 -0.142 0.000 0.985 411 E CA 1.305 57.631 56.400 -0.122 0.000 0.814 411 E CB -0.106 29.534 29.700 -0.100 0.000 0.752 411 E HN 0.842 nan 8.360 nan 0.000 0.466 412 S N 1.095 116.694 115.700 -0.170 0.000 2.355 412 S HA -0.111 4.368 4.470 0.014 0.000 0.222 412 S C 2.086 176.544 174.600 -0.237 0.000 1.031 412 S CA 0.460 58.535 58.200 -0.209 0.000 0.993 412 S CB -0.478 62.563 63.200 -0.265 0.000 0.859 412 S HN 0.191 nan 8.310 nan 0.000 0.453 413 L N 1.345 122.402 121.223 -0.277 0.000 2.046 413 L HA -0.085 4.264 4.340 0.014 0.000 0.208 413 L C 3.030 179.648 176.870 -0.421 0.000 1.077 413 L CA 1.531 56.133 54.840 -0.396 0.000 0.747 413 L CB -0.919 40.903 42.059 -0.395 0.000 0.896 413 L HN 0.502 nan 8.230 nan 0.000 0.432 414 A N -0.216 122.448 122.820 -0.261 0.000 1.902 414 A HA -0.279 4.049 4.320 0.014 0.000 0.217 414 A C 2.364 179.914 177.584 -0.057 0.000 1.181 414 A CA 1.829 53.779 52.037 -0.144 0.000 0.623 414 A CB -0.598 18.329 19.000 -0.122 0.000 0.818 414 A HN 0.421 nan 8.150 nan 0.000 0.443 415 R N -1.402 119.053 120.500 -0.075 0.000 2.073 415 R HA -0.226 4.122 4.340 0.014 0.000 0.234 415 R C 2.221 178.530 176.300 0.016 0.000 1.134 415 R CA 2.029 58.110 56.100 -0.032 0.000 0.952 415 R CB -0.484 29.774 30.300 -0.069 0.000 0.850 415 R HN 0.758 nan 8.270 nan 0.000 0.433 416 H N -0.461 118.541 119.070 -0.114 0.000 2.267 416 H HA -0.194 4.371 4.556 0.015 0.000 0.297 416 H C 1.597 177.006 175.328 0.136 0.000 1.080 416 H CA 2.402 58.417 56.048 -0.055 0.000 1.278 416 H CB -0.454 29.216 29.762 -0.154 0.000 1.365 416 H HN 0.221 nan 8.280 nan 0.000 0.489 417 Y N 0.304 120.612 120.300 0.012 0.000 2.128 417 Y HA -0.150 4.409 4.550 0.015 0.000 0.284 417 Y C 2.934 178.885 175.900 0.085 0.000 1.154 417 Y CA 1.072 59.215 58.100 0.072 0.000 1.149 417 Y CB -1.401 37.114 38.460 0.092 0.000 0.976 417 Y HN 0.438 nan 8.280 nan 0.000 0.505 418 A N 0.126 123.117 122.820 0.284 0.000 1.902 418 A HA -0.203 4.126 4.320 0.014 0.000 0.217 418 A C 2.329 180.024 177.584 0.184 0.000 1.181 418 A CA 1.712 53.945 52.037 0.327 0.000 0.623 418 A CB -0.588 18.621 19.000 0.348 0.000 0.818 418 A HN 0.422 nan 8.150 nan 0.000 0.443 419 R N -1.262 119.290 120.500 0.087 0.000 2.236 419 R HA -0.030 4.318 4.340 0.014 0.000 0.208 419 R C 2.180 178.480 176.300 0.000 0.000 1.036 419 R CA 1.534 57.661 56.100 0.044 0.000 1.001 419 R CB -0.141 30.165 30.300 0.009 0.000 0.896 419 R HN 0.737 nan 8.270 nan 0.000 0.464 420 T N -2.826 111.645 114.554 -0.138 0.000 3.098 420 T HA 0.033 4.392 4.350 0.014 0.000 0.246 420 T C 1.359 175.892 174.700 -0.279 0.000 0.983 420 T CA -0.005 61.912 62.100 -0.306 0.000 1.094 420 T CB -0.097 68.368 68.868 -0.672 0.000 1.035 420 T HN 0.087 nan 8.240 nan 0.000 0.456 421 Y N 2.099 122.460 120.300 0.103 0.000 2.503 421 Y HA 0.481 5.039 4.550 0.014 0.000 0.278 421 Y C 2.213 178.094 175.900 -0.031 0.000 1.111 421 Y CA -0.213 57.919 58.100 0.053 0.000 1.270 421 Y CB -0.649 37.751 38.460 -0.101 0.000 1.063 421 Y HN 0.585 nan 8.280 nan 0.000 0.548 422 G N 0.854 109.718 108.800 0.107 0.000 2.596 422 G HA2 -0.423 3.545 3.960 0.014 0.000 0.295 422 G HA3 -0.423 3.545 3.960 0.014 0.000 0.295 422 G C 1.435 176.249 174.900 -0.143 0.000 1.240 422 G CA 1.251 46.270 45.100 -0.135 0.000 0.985 422 G HN 0.617 nan 8.290 nan 0.000 0.555 423 S N 0.102 115.616 115.700 -0.310 0.000 2.528 423 S HA -0.082 4.397 4.470 0.014 0.000 0.244 423 S C 1.551 176.127 174.600 -0.041 0.000 0.982 423 S CA 1.833 59.962 58.200 -0.119 0.000 0.953 423 S CB -0.369 62.742 63.200 -0.149 0.000 0.754 423 S HN 0.689 nan 8.310 nan 0.000 0.529 424 N N 0.778 119.439 118.700 -0.065 0.000 2.461 424 N HA 0.145 4.894 4.740 0.014 0.000 0.188 424 N C 1.207 176.561 175.510 -0.260 0.000 1.134 424 N CA 0.378 53.373 53.050 -0.092 0.000 0.878 424 N CB -0.012 38.492 38.487 0.028 0.000 0.972 424 N HN 0.329 nan 8.380 nan 0.000 0.456 425 S N 1.364 116.971 115.700 -0.155 0.000 2.370 425 S HA -0.221 4.257 4.470 0.014 0.000 0.226 425 S C 1.857 176.232 174.600 -0.374 0.000 1.033 425 S CA 1.260 59.275 58.200 -0.307 0.000 1.011 425 S CB -0.236 62.930 63.200 -0.057 0.000 0.852 425 S HN 0.602 nan 8.310 nan 0.000 0.457 426 E N 1.030 121.138 120.200 -0.154 0.000 2.204 426 E HA -0.156 4.202 4.350 0.014 0.000 0.195 426 E C 2.022 178.521 176.600 -0.169 0.000 0.990 426 E CA 0.940 57.294 56.400 -0.076 0.000 0.821 426 E CB -0.324 29.425 29.700 0.082 0.000 0.750 426 E HN 0.405 nan 8.360 nan 0.000 0.477 427 L N 0.836 121.910 121.223 -0.248 0.000 2.156 427 L HA -0.016 4.333 4.340 0.014 0.000 0.208 427 L C 2.168 178.806 176.870 -0.386 0.000 1.095 427 L CA 1.152 55.841 54.840 -0.253 0.000 0.770 427 L CB -0.399 41.518 42.059 -0.237 0.000 0.914 427 L HN 0.349 nan 8.230 nan 0.000 0.439 428 L N -1.054 119.706 121.223 -0.772 0.000 2.044 428 L HA -0.079 4.270 4.340 0.014 0.000 0.205 428 L C 2.087 178.648 176.870 -0.516 0.000 1.075 428 L CA 1.759 56.058 54.840 -0.901 0.000 0.747 428 L CB -1.063 40.126 42.059 -1.450 0.000 0.903 428 L HN 0.164 nan 8.230 nan 0.000 0.435 429 L N 0.295 121.209 121.223 -0.515 0.000 2.201 429 L HA 0.068 4.417 4.340 0.014 0.000 0.212 429 L C 1.992 178.755 176.870 -0.179 0.000 1.105 429 L CA 1.287 55.900 54.840 -0.378 0.000 0.775 429 L CB -2.299 39.383 42.059 -0.627 0.000 0.913 429 L HN 0.588 nan 8.230 nan 0.000 0.440 430 G N 1.621 110.338 108.800 -0.138 0.000 2.672 430 G HA2 -0.449 3.520 3.960 0.014 0.000 0.324 430 G HA3 -0.449 3.520 3.960 0.014 0.000 0.324 430 G C 0.600 175.506 174.900 0.010 0.000 1.286 430 G CA 0.786 45.859 45.100 -0.046 0.000 1.004 430 G HN 0.557 nan 8.290 nan 0.000 0.548 431 N N 1.633 120.335 118.700 0.003 0.000 2.279 431 N HA 0.565 5.313 4.740 0.014 0.000 0.226 431 N C 0.526 176.028 175.510 -0.012 0.000 1.126 431 N CA 0.972 54.031 53.050 0.016 0.000 0.846 431 N CB -0.044 38.443 38.487 -0.000 0.000 1.050 431 N HN 1.134 nan 8.380 nan 0.000 0.502 432 A N -0.529 122.278 122.820 -0.022 0.000 2.462 432 A HA 0.564 4.892 4.320 0.014 0.000 0.243 432 A C 1.190 178.666 177.584 -0.180 0.000 1.076 432 A CA 0.147 52.111 52.037 -0.121 0.000 0.773 432 A CB 0.084 19.025 19.000 -0.098 0.000 1.010 432 A HN 0.429 nan 8.150 nan 0.000 0.493 433 G N 0.181 108.690 108.800 -0.485 0.000 3.215 433 G HA2 0.429 4.398 3.960 0.014 0.000 0.236 433 G HA3 0.429 4.398 3.960 0.014 0.000 0.236 433 G C 0.267 174.506 174.900 -1.103 0.000 1.029 433 G CA 0.851 45.612 45.100 -0.565 0.000 0.909 433 G HN 1.318 nan 8.290 nan 0.000 0.543 434 T N -3.585 110.222 114.554 -1.245 0.000 2.816 434 T HA 0.408 4.767 4.350 0.014 0.000 0.299 434 T C 0.844 175.128 174.700 -0.694 0.000 1.230 434 T CA -0.163 61.390 62.100 -0.912 0.000 1.007 434 T CB 1.720 70.347 68.868 -0.401 0.000 1.289 434 T HN -0.098 nan 8.240 nan 0.000 0.508 435 V N 1.108 120.853 119.914 -0.282 0.000 2.407 435 V HA -0.132 3.996 4.120 0.014 0.000 0.248 435 V C 2.924 178.833 176.094 -0.309 0.000 1.055 435 V CA 2.458 64.631 62.300 -0.212 0.000 1.049 435 V CB -0.733 31.018 31.823 -0.120 0.000 0.662 435 V HN 1.069 nan 8.190 nan 0.000 0.455 436 S N -0.284 115.275 115.700 -0.236 0.000 2.399 436 S HA -0.217 4.262 4.470 0.014 0.000 0.231 436 S C 1.630 176.108 174.600 -0.205 0.000 1.022 436 S CA 1.554 59.640 58.200 -0.189 0.000 0.983 436 S CB -0.445 62.671 63.200 -0.141 0.000 0.803 436 S HN 0.651 nan 8.310 nan 0.000 0.480 437 D N 0.791 121.039 120.400 -0.253 0.000 2.348 437 D HA 0.007 4.655 4.640 0.014 0.000 0.216 437 D C 1.394 177.570 176.300 -0.206 0.000 0.970 437 D CA 0.333 54.201 54.000 -0.220 0.000 0.889 437 D CB -0.115 40.528 40.800 -0.261 0.000 0.912 437 D HN 0.336 nan 8.370 nan 0.000 0.524 438 L N -0.046 121.012 121.223 -0.275 0.000 2.376 438 L HA 0.131 4.479 4.340 0.014 0.000 0.219 438 L C 1.549 178.304 176.870 -0.192 0.000 1.133 438 L CA 0.768 55.437 54.840 -0.286 0.000 0.816 438 L CB -0.858 40.840 42.059 -0.601 0.000 0.933 438 L HN 0.103 nan 8.230 nan 0.000 0.449 439 G N -0.555 108.147 108.800 -0.163 0.000 2.615 439 G HA2 -0.286 3.683 3.960 0.014 0.000 0.218 439 G HA3 -0.286 3.683 3.960 0.014 0.000 0.218 439 G C -0.093 174.752 174.900 -0.092 0.000 1.339 439 G CA -0.138 44.899 45.100 -0.105 0.000 0.884 439 G HN 0.272 nan 8.290 nan 0.000 0.559 440 E N 0.183 120.263 120.200 -0.201 0.000 2.502 440 E HA 0.246 4.605 4.350 0.014 0.000 0.261 440 E C -0.388 175.884 176.600 -0.546 0.000 0.974 440 E CA 0.609 56.780 56.400 -0.382 0.000 0.936 440 E CB 0.323 29.688 29.700 -0.559 0.000 0.926 440 E HN 0.537 nan 8.360 nan 0.000 0.459 441 D N 3.989 124.132 120.400 -0.429 0.000 2.373 441 D HA 0.103 4.752 4.640 0.014 0.000 0.227 441 D C -0.407 175.590 176.300 -0.506 0.000 1.091 441 D CA -0.426 53.269 54.000 -0.508 0.000 0.840 441 D CB 0.267 40.897 40.800 -0.285 0.000 1.060 441 D HN 0.376 nan 8.370 nan 0.000 0.502 442 F N 2.594 122.433 119.950 -0.186 0.000 2.789 442 F HA 0.378 4.914 4.527 0.014 0.000 0.300 442 F C 1.576 177.351 175.800 -0.042 0.000 1.132 442 F CA 0.696 58.664 58.000 -0.054 0.000 1.404 442 F CB -0.004 39.033 39.000 0.062 0.000 1.114 442 F HN 0.569 nan 8.300 nan 0.000 0.584 443 G N -1.137 107.663 108.800 0.001 0.000 2.465 443 G HA2 -0.035 3.933 3.960 0.014 0.000 0.681 443 G HA3 -0.035 3.933 3.960 0.014 0.000 0.681 443 G C -0.089 174.807 174.900 -0.006 0.000 1.340 443 G CA -0.567 44.529 45.100 -0.007 0.000 0.884 443 G HN 0.413 nan 8.290 nan 0.000 0.650 444 H N 0.805 119.766 119.070 -0.182 0.000 2.690 444 H HA -0.209 4.356 4.556 0.014 0.000 0.309 444 H C 0.996 176.124 175.328 -0.333 0.000 1.138 444 H CA 1.964 57.843 56.048 -0.282 0.000 1.142 444 H CB -0.739 28.833 29.762 -0.316 0.000 1.410 444 H HN 1.120 nan 8.280 nan 0.000 0.409 445 E N -1.762 118.179 120.200 -0.431 0.000 2.586 445 E HA -0.262 4.097 4.350 0.014 0.000 0.259 445 E C -0.593 175.757 176.600 -0.417 0.000 1.107 445 E CA 0.730 56.812 56.400 -0.531 0.000 0.754 445 E CB -1.209 28.268 29.700 -0.371 0.000 1.335 445 E HN 0.365 nan 8.360 nan 0.000 0.411 446 F N 1.454 121.117 119.950 -0.478 0.000 2.303 446 F HA 0.347 4.883 4.527 0.014 0.000 0.368 446 F C -0.370 175.325 175.800 -0.175 0.000 1.105 446 F CA -0.630 57.260 58.000 -0.184 0.000 1.153 446 F CB 0.205 39.164 39.000 -0.068 0.000 1.362 446 F HN -0.137 nan 8.300 nan 0.000 0.511 447 Y N 3.138 123.288 120.300 -0.250 0.000 2.374 447 Y HA 0.168 4.727 4.550 0.014 0.000 0.322 447 Y C 1.764 177.434 175.900 -0.383 0.000 1.275 447 Y CA -0.336 57.588 58.100 -0.293 0.000 1.307 447 Y CB 0.791 39.135 38.460 -0.193 0.000 1.282 447 Y HN 0.617 nan 8.280 nan 0.000 0.509 448 E N 1.146 121.219 120.200 -0.211 0.000 2.171 448 E HA -0.278 4.080 4.350 0.014 0.000 0.197 448 E C 1.891 178.312 176.600 -0.299 0.000 0.997 448 E CA 1.476 57.687 56.400 -0.316 0.000 0.810 448 E CB -0.065 29.434 29.700 -0.335 0.000 0.738 448 E HN 0.840 nan 8.360 nan 0.000 0.467 449 A N 0.874 123.594 122.820 -0.166 0.000 1.972 449 A HA -0.225 4.104 4.320 0.014 0.000 0.219 449 A C 2.054 179.536 177.584 -0.171 0.000 1.169 449 A CA 1.612 53.564 52.037 -0.141 0.000 0.635 449 A CB -0.470 18.456 19.000 -0.123 0.000 0.810 449 A HN 0.468 nan 8.150 nan 0.000 0.446 450 E N -0.796 119.277 120.200 -0.212 0.000 2.076 450 E HA -0.125 4.234 4.350 0.014 0.000 0.190 450 E C 1.873 178.359 176.600 -0.190 0.000 0.979 450 E CA 0.923 57.195 56.400 -0.212 0.000 0.807 450 E CB -0.141 29.474 29.700 -0.141 0.000 0.761 450 E HN 0.412 nan 8.360 nan 0.000 0.454 451 L N 1.717 122.683 121.223 -0.427 0.000 2.093 451 L HA -0.135 4.213 4.340 0.014 0.000 0.208 451 L C 2.266 179.034 176.870 -0.169 0.000 1.085 451 L CA 1.817 56.453 54.840 -0.339 0.000 0.755 451 L CB -0.391 41.248 42.059 -0.701 0.000 0.904 451 L HN -0.007 nan 8.230 nan 0.000 0.435 452 K N -1.875 118.390 120.400 -0.224 0.000 2.057 452 K HA -0.264 4.065 4.320 0.014 0.000 0.206 452 K C 2.296 178.929 176.600 0.056 0.000 1.050 452 K CA 1.654 57.916 56.287 -0.043 0.000 0.935 452 K CB -0.436 32.024 32.500 -0.067 0.000 0.715 452 K HN 0.377 nan 8.250 nan 0.000 0.439 453 Y N 1.524 121.782 120.300 -0.069 0.000 2.181 453 Y HA -0.178 4.381 4.550 0.015 0.000 0.288 453 Y C 1.650 177.573 175.900 0.038 0.000 1.146 453 Y CA 1.444 59.534 58.100 -0.018 0.000 1.164 453 Y CB -0.152 38.190 38.460 -0.197 0.000 0.982 453 Y HN 0.017 nan 8.280 nan 0.000 0.515 454 L N -1.253 119.964 121.223 -0.010 0.000 2.083 454 L HA -0.216 4.133 4.340 0.014 0.000 0.209 454 L C 2.306 179.164 176.870 -0.019 0.000 1.083 454 L CA 1.123 55.974 54.840 0.019 0.000 0.752 454 L CB -0.670 41.516 42.059 0.211 0.000 0.899 454 L HN 0.130 nan 8.230 nan 0.000 0.433 455 V N -0.465 119.483 119.914 0.056 0.000 2.379 455 V HA -0.233 3.896 4.120 0.014 0.000 0.245 455 V C 1.975 178.019 176.094 -0.083 0.000 1.044 455 V CA 1.716 64.074 62.300 0.098 0.000 1.036 455 V CB -0.429 31.605 31.823 0.352 0.000 0.664 455 V HN 0.412 nan 8.190 nan 0.000 0.453 456 D N -0.802 119.499 120.400 -0.164 0.000 2.149 456 D HA -0.083 4.565 4.640 0.014 0.000 0.201 456 D C 1.736 177.519 176.300 -0.861 0.000 0.972 456 D CA 1.416 55.151 54.000 -0.442 0.000 0.835 456 D CB -0.094 40.453 40.800 -0.421 0.000 0.966 456 D HN 0.617 nan 8.370 nan 0.000 0.476 457 H N -0.940 117.785 119.070 -0.575 0.000 3.058 457 H HA 0.309 4.873 4.556 0.014 0.000 0.266 457 H C 0.323 175.258 175.328 -0.655 0.000 1.135 457 H CA -0.015 55.621 56.048 -0.688 0.000 1.174 457 H CB 1.057 30.327 29.762 -0.819 0.000 1.581 457 H HN -0.009 nan 8.280 nan 0.000 0.553 458 E N -0.155 119.820 120.200 -0.375 0.000 2.887 458 E HA 0.012 4.371 4.350 0.014 0.000 0.206 458 E C -0.186 176.577 176.600 0.271 0.000 0.983 458 E CA -0.269 56.133 56.400 0.003 0.000 1.141 458 E CB 0.456 30.249 29.700 0.154 0.000 1.061 458 E HN 0.394 nan 8.360 nan 0.000 0.468 459 W N 0.261 121.559 121.300 -0.004 0.000 4.233 459 W HA -0.232 4.435 4.660 0.013 0.000 0.328 459 W C 0.004 176.546 176.519 0.039 0.000 1.212 459 W CA 0.324 57.675 57.345 0.009 0.000 0.752 459 W CB -2.034 27.426 29.460 -0.000 0.000 2.277 459 W HN -0.026 nan 8.180 nan 0.000 1.465 460 V N 1.919 121.954 119.914 0.202 0.000 2.585 460 V HA 0.032 4.160 4.120 0.014 0.000 0.296 460 V C 1.468 177.667 176.094 0.174 0.000 1.035 460 V CA 0.913 63.329 62.300 0.193 0.000 1.084 460 V CB 1.296 33.234 31.823 0.192 0.000 0.953 460 V HN 0.013 nan 8.190 nan 0.000 0.483 461 R N 3.146 123.743 120.500 0.160 0.000 2.492 461 R HA 0.326 4.674 4.340 0.014 0.000 0.219 461 R C 0.413 176.790 176.300 0.128 0.000 0.886 461 R CA 0.035 56.217 56.100 0.135 0.000 1.003 461 R CB 0.555 30.924 30.300 0.115 0.000 1.345 461 R HN 0.473 nan 8.270 nan 0.000 0.631 462 R N -0.518 120.059 120.500 0.129 0.000 2.854 462 R HA 0.545 4.894 4.340 0.014 0.000 0.271 462 R C 0.600 176.975 176.300 0.124 0.000 0.994 462 R CA -0.073 56.098 56.100 0.118 0.000 0.945 462 R CB 1.391 31.753 30.300 0.103 0.000 1.194 462 R HN -0.024 nan 8.270 nan 0.000 0.476 463 A N 1.164 124.050 122.820 0.110 0.000 1.873 463 A HA -0.237 4.092 4.320 0.014 0.000 0.218 463 A C 1.262 178.904 177.584 0.097 0.000 1.193 463 A CA 2.182 54.270 52.037 0.084 0.000 0.629 463 A CB -0.436 18.603 19.000 0.065 0.000 0.826 463 A HN 0.716 nan 8.150 nan 0.000 0.447 464 D N 0.254 120.750 120.400 0.160 0.000 2.133 464 D HA -0.143 4.505 4.640 0.014 0.000 0.195 464 D C 1.466 177.894 176.300 0.214 0.000 0.997 464 D CA 1.515 55.675 54.000 0.266 0.000 0.840 464 D CB -0.390 40.558 40.800 0.247 0.000 0.947 464 D HN 0.471 nan 8.370 nan 0.000 0.452 465 D N 0.138 120.634 120.400 0.161 0.000 2.116 465 D HA -0.155 4.494 4.640 0.014 0.000 0.193 465 D C 1.970 178.359 176.300 0.147 0.000 0.998 465 D CA 1.602 55.694 54.000 0.153 0.000 0.836 465 D CB -0.440 40.450 40.800 0.150 0.000 0.951 465 D HN 0.239 nan 8.370 nan 0.000 0.449 466 A N -0.005 122.891 122.820 0.127 0.000 1.930 466 A HA -0.042 4.287 4.320 0.014 0.000 0.215 466 A C 2.011 179.565 177.584 -0.050 0.000 1.176 466 A CA 0.761 52.871 52.037 0.121 0.000 0.632 466 A CB -0.291 18.821 19.000 0.186 0.000 0.819 466 A HN 0.123 nan 8.150 nan 0.000 0.445 467 L N -3.428 117.688 121.223 -0.179 0.000 2.446 467 L HA 0.137 4.486 4.340 0.014 0.000 0.219 467 L C 1.401 177.874 176.870 -0.662 0.000 1.116 467 L CA 0.952 55.485 54.840 -0.513 0.000 0.844 467 L CB -0.637 41.053 42.059 -0.614 0.000 0.970 467 L HN 0.661 nan 8.230 nan 0.000 0.457 468 W N -2.297 118.959 121.300 -0.072 0.000 2.661 468 W HA 0.204 4.872 4.660 0.014 0.000 0.288 468 W C 2.333 178.856 176.519 0.006 0.000 1.014 468 W CA -0.322 56.984 57.345 -0.065 0.000 1.396 468 W CB 0.612 30.049 29.460 -0.039 0.000 0.963 468 W HN -0.192 nan 8.180 nan 0.000 0.584 469 R N -0.287 120.343 120.500 0.217 0.000 2.125 469 R HA 0.143 4.492 4.340 0.014 0.000 0.195 469 R C 2.166 178.546 176.300 0.134 0.000 1.138 469 R CA 0.035 56.232 56.100 0.163 0.000 1.123 469 R CB -0.076 30.308 30.300 0.140 0.000 1.049 469 R HN -0.193 nan 8.270 nan 0.000 0.503 470 R N 0.727 121.314 120.500 0.145 0.000 2.115 470 R HA 0.019 4.367 4.340 0.014 0.000 0.226 470 R C 1.273 177.655 176.300 0.136 0.000 1.100 470 R CA 1.328 57.526 56.100 0.164 0.000 0.980 470 R CB -0.362 30.080 30.300 0.238 0.000 0.875 470 R HN 0.379 nan 8.270 nan 0.000 0.445 471 T N -2.948 111.673 114.554 0.112 0.000 2.696 471 T HA 0.456 4.814 4.350 0.014 0.000 0.291 471 T C 0.038 174.731 174.700 -0.013 0.000 1.095 471 T CA -0.868 61.289 62.100 0.096 0.000 1.026 471 T CB 2.320 71.278 68.868 0.149 0.000 1.390 471 T HN -0.247 nan 8.240 nan 0.000 0.513 472 K N 0.350 120.722 120.400 -0.046 0.000 2.646 472 K HA 0.231 4.560 4.320 0.014 0.000 0.206 472 K C 1.377 177.738 176.600 -0.398 0.000 1.069 472 K CA -0.235 55.907 56.287 -0.242 0.000 1.067 472 K CB 0.743 33.180 32.500 -0.105 0.000 0.807 472 K HN 0.471 nan 8.250 nan 0.000 0.482 473 Q N -0.233 119.360 119.800 -0.346 0.000 2.368 473 Q HA -0.064 4.285 4.340 0.014 0.000 0.210 473 Q C 1.715 177.376 176.000 -0.566 0.000 0.982 473 Q CA 1.187 56.815 55.803 -0.291 0.000 0.884 473 Q CB -0.241 28.155 28.738 -0.569 0.000 0.933 473 Q HN 0.438 nan 8.270 nan 0.000 0.460 474 G N 0.252 108.364 108.800 -1.147 0.000 2.479 474 G HA2 -0.219 3.749 3.960 0.014 0.000 0.220 474 G HA3 -0.219 3.749 3.960 0.014 0.000 0.220 474 G C 1.307 175.502 174.900 -1.175 0.000 1.115 474 G CA 0.366 44.555 45.100 -1.518 0.000 0.757 474 G HN 0.218 nan 8.290 nan 0.000 0.560 475 M N -0.778 118.108 119.600 -1.191 0.000 2.460 475 M HA 0.109 4.598 4.480 0.014 0.000 0.263 475 M C 1.761 177.520 176.300 -0.902 0.000 1.071 475 M CA 0.491 55.153 55.300 -1.063 0.000 1.096 475 M CB -0.593 31.077 32.600 -1.551 0.000 1.408 475 M HN 0.525 nan 8.290 nan 0.000 0.463 476 W N -0.794 120.220 121.300 -0.476 0.000 2.968 476 W HA 0.216 4.885 4.660 0.014 0.000 0.253 476 W C -0.039 176.311 176.519 -0.281 0.000 1.150 476 W CA -0.439 56.660 57.345 -0.410 0.000 1.463 476 W CB 0.063 29.051 29.460 -0.787 0.000 0.906 476 W HN -0.029 nan 8.180 nan 0.000 0.650 477 L N 2.981 124.156 121.223 -0.079 0.000 2.410 477 L HA -0.002 4.346 4.340 0.014 0.000 0.273 477 L C 0.719 177.565 176.870 -0.039 0.000 1.144 477 L CA 0.265 55.071 54.840 -0.057 0.000 0.863 477 L CB -0.363 41.631 42.059 -0.108 0.000 1.140 477 L HN -0.005 nan 8.230 nan 0.000 0.463 478 N N 2.573 121.275 118.700 0.004 0.000 2.294 478 N HA 0.247 4.996 4.740 0.014 0.000 0.248 478 N C 0.947 176.474 175.510 0.027 0.000 1.300 478 N CA 0.184 53.245 53.050 0.019 0.000 0.925 478 N CB 0.231 38.736 38.487 0.030 0.000 1.188 478 N HN 0.547 nan 8.380 nan 0.000 0.512 479 A N -0.401 122.442 122.820 0.039 0.000 1.883 479 A HA -0.214 4.115 4.320 0.014 0.000 0.217 479 A C 1.564 179.178 177.584 0.051 0.000 1.186 479 A CA 1.846 53.912 52.037 0.049 0.000 0.624 479 A CB -0.927 18.103 19.000 0.050 0.000 0.822 479 A HN 0.782 nan 8.150 nan 0.000 0.444 480 D N -0.468 119.963 120.400 0.051 0.000 2.144 480 D HA -0.146 4.503 4.640 0.014 0.000 0.199 480 D C 2.150 178.492 176.300 0.072 0.000 0.984 480 D CA 1.459 55.495 54.000 0.059 0.000 0.834 480 D CB -0.420 40.414 40.800 0.056 0.000 0.955 480 D HN 0.657 nan 8.370 nan 0.000 0.465 481 Q N 0.263 120.103 119.800 0.066 0.000 2.167 481 Q HA -0.092 4.257 4.340 0.014 0.000 0.202 481 Q C 2.153 178.191 176.000 0.064 0.000 0.970 481 Q CA 0.793 56.648 55.803 0.086 0.000 0.855 481 Q CB -0.016 28.766 28.738 0.073 0.000 0.911 481 Q HN 0.410 nan 8.270 nan 0.000 0.438 482 Q N -0.288 119.530 119.800 0.030 0.000 2.172 482 Q HA -0.080 4.269 4.340 0.014 0.000 0.200 482 Q C 2.166 178.187 176.000 0.036 0.000 0.964 482 Q CA 1.098 56.904 55.803 0.006 0.000 0.855 482 Q CB -0.005 28.741 28.738 0.013 0.000 0.918 482 Q HN 0.197 nan 8.270 nan 0.000 0.444 483 S N 0.826 116.562 115.700 0.059 0.000 2.383 483 S HA -0.170 4.309 4.470 0.014 0.000 0.227 483 S C 1.932 176.586 174.600 0.091 0.000 1.026 483 S CA 1.160 59.404 58.200 0.072 0.000 0.981 483 S CB 0.016 63.259 63.200 0.072 0.000 0.818 483 S HN 0.238 nan 8.310 nan 0.000 0.472 484 R N 0.809 121.375 120.500 0.111 0.000 2.092 484 R HA 0.066 4.415 4.340 0.014 0.000 0.231 484 R C 1.947 178.330 176.300 0.138 0.000 1.119 484 R CA 1.765 57.969 56.100 0.173 0.000 0.970 484 R CB -1.007 29.441 30.300 0.247 0.000 0.864 484 R HN 0.329 nan 8.270 nan 0.000 0.440 485 V N 0.385 120.290 119.914 -0.015 0.000 2.407 485 V HA -0.209 3.920 4.120 0.014 0.000 0.248 485 V C 2.104 178.210 176.094 0.019 0.000 1.055 485 V CA 2.162 64.335 62.300 -0.212 0.000 1.049 485 V CB -0.429 31.254 31.823 -0.234 0.000 0.662 485 V HN 0.413 nan 8.190 nan 0.000 0.455 486 S N -0.560 115.178 115.700 0.064 0.000 2.383 486 S HA -0.251 4.228 4.470 0.014 0.000 0.227 486 S C 1.978 176.655 174.600 0.128 0.000 1.026 486 S CA 1.580 59.840 58.200 0.099 0.000 0.981 486 S CB -0.295 62.955 63.200 0.083 0.000 0.818 486 S HN 0.598 nan 8.310 nan 0.000 0.472 487 Q N 0.408 120.293 119.800 0.143 0.000 2.079 487 Q HA -0.077 4.272 4.340 0.014 0.000 0.200 487 Q C 1.670 177.782 176.000 0.187 0.000 0.974 487 Q CA 1.501 57.392 55.803 0.146 0.000 0.840 487 Q CB -0.578 28.249 28.738 0.148 0.000 0.898 487 Q HN 0.683 nan 8.270 nan 0.000 0.430 488 W N -0.417 120.927 121.300 0.073 0.000 2.358 488 W HA -0.164 4.504 4.660 0.014 0.000 0.303 488 W C 1.427 178.010 176.519 0.107 0.000 1.208 488 W CA 1.005 58.414 57.345 0.107 0.000 1.274 488 W CB -0.241 29.285 29.460 0.110 0.000 1.138 488 W HN 0.266 nan 8.180 nan 0.000 0.515 489 L N 0.111 121.555 121.223 0.369 0.000 2.042 489 L HA -0.204 4.145 4.340 0.014 0.000 0.210 489 L C 2.376 179.291 176.870 0.074 0.000 1.076 489 L CA 1.588 56.589 54.840 0.268 0.000 0.749 489 L CB -1.514 40.696 42.059 0.252 0.000 0.893 489 L HN -0.070 nan 8.230 nan 0.000 0.432 490 V N -0.476 119.470 119.914 0.053 0.000 2.295 490 V HA -0.282 3.847 4.120 0.014 0.000 0.246 490 V C 2.316 178.377 176.094 -0.056 0.000 1.049 490 V CA 1.833 64.139 62.300 0.009 0.000 1.024 490 V CB -0.579 31.260 31.823 0.027 0.000 0.648 490 V HN 0.503 nan 8.190 nan 0.000 0.447 491 E N -1.197 118.944 120.200 -0.098 0.000 2.268 491 E HA -0.225 4.134 4.350 0.014 0.000 0.195 491 E C 1.992 178.460 176.600 -0.220 0.000 0.995 491 E CA 1.422 57.732 56.400 -0.150 0.000 0.836 491 E CB -0.137 29.468 29.700 -0.159 0.000 0.763 491 E HN 0.758 nan 8.360 nan 0.000 0.491 492 Y N 1.161 121.162 120.300 -0.499 0.000 2.343 492 Y HA -0.085 4.473 4.550 0.015 0.000 0.294 492 Y C 2.610 178.349 175.900 -0.270 0.000 1.122 492 Y CA 1.600 59.378 58.100 -0.537 0.000 1.173 492 Y CB -0.117 37.713 38.460 -1.050 0.000 1.077 492 Y HN 0.036 nan 8.280 nan 0.000 0.542 493 T N -2.175 112.252 114.554 -0.212 0.000 2.937 493 T HA -0.063 4.296 4.350 0.014 0.000 0.260 493 T C 1.539 176.143 174.700 -0.160 0.000 1.051 493 T CA 1.287 63.269 62.100 -0.197 0.000 1.141 493 T CB -0.230 68.618 68.868 -0.034 0.000 0.879 493 T HN 0.414 nan 8.240 nan 0.000 0.459 494 Q N 0.251 119.982 119.800 -0.115 0.000 2.165 494 Q HA 0.203 4.552 4.340 0.014 0.000 0.197 494 Q C 0.976 176.915 176.000 -0.101 0.000 0.952 494 Q CA 0.572 56.325 55.803 -0.084 0.000 0.848 494 Q CB 0.100 28.809 28.738 -0.048 0.000 0.931 494 Q HN 0.454 nan 8.270 nan 0.000 0.470 495 Q N 0.000 119.728 119.800 -0.120 0.000 2.315 495 Q HA 0.000 4.349 4.340 0.014 0.000 0.214 495 Q CA 0.000 55.736 55.803 -0.112 0.000 1.022 495 Q CB 0.000 28.684 28.738 -0.090 0.000 1.108 495 Q HN 0.000 nan 8.270 nan 0.000 0.481