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 3etj_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKQVCVLGNG QLGRMLRQAG EPLGIAVWPV GLDAEPAAVP FQQSVITAEI DATA SEQUENCE ERWPETALTR QLARHPAFVN RDVFPIIADR LTQKQLFDKL HLPTAPWQLL DATA SEQUENCE AERSEWPAVF DRLGELAIVK RRTGGXXXXG QWRLRANETE QLPAECYGEC DATA SEQUENCE IVEQGINFSG EVSLVGARGF DGSTVFYPLT HNLHQDGILR TSVAFPQANA DATA SEQUENCE QQQARAEEML SAIMQELGYV GVMAMECFVT PQGLLINELA PRVHNSGHWT DATA SEQUENCE QNGASISQFE LHLRAITDLP LPQPVVNNPS VMINLIGSDV NYDWLKLPLV DATA SEQUENCE HLHWYDKEVR PGRKVGHLNL TDSDTSRLTA TLEALIPLLP PEYASGVIWA DATA SEQUENCE QSKFG 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 0.000 176.320 176.300 0.033 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 K N 2.749 123.168 120.400 0.032 0.000 2.171 2 K HA 0.240 4.562 4.320 0.003 0.000 0.274 2 K C -0.832 175.797 176.600 0.048 0.000 1.110 2 K CA -0.019 56.287 56.287 0.032 0.000 0.952 2 K CB 0.167 32.677 32.500 0.016 0.000 1.309 2 K HN 0.527 nan 8.250 nan 0.000 0.414 3 Q N 1.929 121.776 119.800 0.077 0.000 2.325 3 Q HA 0.366 4.708 4.340 0.003 0.000 0.270 3 Q C -1.534 174.549 176.000 0.137 0.000 1.020 3 Q CA -0.610 55.278 55.803 0.141 0.000 0.785 3 Q CB 1.689 30.546 28.738 0.198 0.000 1.259 3 Q HN 0.290 nan 8.270 nan 0.000 0.452 4 V N 3.618 123.611 119.914 0.131 0.000 2.588 4 V HA 0.505 4.626 4.120 0.003 0.000 0.304 4 V C -0.739 175.459 176.094 0.172 0.000 1.042 4 V CA -0.813 61.552 62.300 0.108 0.000 0.877 4 V CB 1.899 33.746 31.823 0.040 0.000 0.996 4 V HN 0.923 nan 8.190 nan 0.000 0.425 5 C N 4.535 123.913 119.300 0.131 0.000 2.329 5 C HA 0.727 5.189 4.460 0.003 0.000 0.329 5 C C 0.156 175.141 174.990 -0.008 0.000 1.275 5 C CA -0.644 58.443 59.018 0.114 0.000 1.726 5 C CB 1.153 28.912 27.740 0.032 0.000 2.291 5 C HN 0.637 nan 8.230 nan 0.000 0.514 6 V N 4.960 124.866 119.914 -0.013 0.000 2.409 6 V HA 0.311 4.432 4.120 0.003 0.000 0.291 6 V C -0.194 175.814 176.094 -0.143 0.000 1.020 6 V CA -0.471 61.794 62.300 -0.059 0.000 0.848 6 V CB 1.422 33.236 31.823 -0.015 0.000 0.990 6 V HN 0.677 nan 8.190 nan 0.000 0.430 7 L N 5.454 126.525 121.223 -0.254 0.000 2.361 7 L HA 0.782 5.124 4.340 0.003 0.000 0.278 7 L C 0.472 177.192 176.870 -0.250 0.000 1.113 7 L CA 0.996 55.621 54.840 -0.358 0.000 0.849 7 L CB 0.096 41.786 42.059 -0.615 0.000 1.155 7 L HN 0.992 nan 8.230 nan 0.000 0.452 8 G N 3.787 112.473 108.800 -0.190 0.000 3.014 8 G HA2 -0.171 3.790 3.960 0.003 0.000 0.683 8 G HA3 -0.171 3.790 3.960 0.003 0.000 0.683 8 G C -0.241 174.608 174.900 -0.085 0.000 1.271 8 G CA -0.250 44.779 45.100 -0.117 0.000 0.843 8 G HN 0.820 nan 8.290 nan 0.000 0.612 9 N N 0.325 118.984 118.700 -0.068 0.000 2.321 9 N HA 0.403 5.145 4.740 0.003 0.000 0.242 9 N C 1.220 176.692 175.510 -0.063 0.000 1.141 9 N CA 0.223 53.239 53.050 -0.057 0.000 0.864 9 N CB 0.190 38.651 38.487 -0.043 0.000 1.100 9 N HN 0.866 nan 8.380 nan 0.000 0.510 10 G N -0.236 108.519 108.800 -0.076 0.000 2.537 10 G HA2 -0.019 3.943 3.960 0.003 0.000 0.297 10 G HA3 -0.019 3.943 3.960 0.003 0.000 0.297 10 G C 0.917 175.717 174.900 -0.166 0.000 1.310 10 G CA -0.208 44.831 45.100 -0.102 0.000 1.027 10 G HN 0.283 nan 8.290 nan 0.000 0.505 11 Q N -0.672 118.960 119.800 -0.280 0.000 2.197 11 Q HA -0.140 4.202 4.340 0.003 0.000 0.207 11 Q C 2.248 178.019 176.000 -0.382 0.000 0.984 11 Q CA 1.386 56.896 55.803 -0.488 0.000 0.869 11 Q CB -0.526 27.512 28.738 -1.167 0.000 0.906 11 Q HN 0.562 nan 8.270 nan 0.000 0.426 12 L N 0.692 121.790 121.223 -0.209 0.000 2.046 12 L HA -0.072 4.270 4.340 0.003 0.000 0.208 12 L C 2.690 179.533 176.870 -0.045 0.000 1.077 12 L CA 1.269 56.092 54.840 -0.029 0.000 0.747 12 L CB -1.079 41.026 42.059 0.078 0.000 0.896 12 L HN 0.371 nan 8.230 nan 0.000 0.432 13 G N -0.020 108.738 108.800 -0.071 0.000 2.422 13 G HA2 -0.289 3.673 3.960 0.003 0.000 0.218 13 G HA3 -0.289 3.673 3.960 0.003 0.000 0.218 13 G C 1.758 176.589 174.900 -0.116 0.000 1.146 13 G CA 0.768 45.831 45.100 -0.062 0.000 0.769 13 G HN 0.300 nan 8.290 nan 0.000 0.547 14 R N -0.280 120.121 120.500 -0.166 0.000 2.081 14 R HA 0.055 4.397 4.340 0.003 0.000 0.235 14 R C 2.470 178.614 176.300 -0.260 0.000 1.131 14 R CA 1.398 57.390 56.100 -0.179 0.000 0.960 14 R CB -0.302 29.893 30.300 -0.174 0.000 0.856 14 R HN 0.367 nan 8.270 nan 0.000 0.436 15 M N 0.425 119.763 119.600 -0.437 0.000 2.254 15 M HA -0.093 4.389 4.480 0.003 0.000 0.265 15 M C 2.188 178.080 176.300 -0.680 0.000 1.066 15 M CA 1.149 55.977 55.300 -0.787 0.000 1.123 15 M CB -0.002 31.677 32.600 -1.535 0.000 1.388 15 M HN 0.205 nan 8.290 nan 0.000 0.425 16 L N -0.360 120.673 121.223 -0.316 0.000 2.056 16 L HA -0.209 4.133 4.340 0.003 0.000 0.207 16 L C 2.704 179.533 176.870 -0.067 0.000 1.078 16 L CA 1.334 56.173 54.840 -0.002 0.000 0.749 16 L CB -0.518 41.607 42.059 0.110 0.000 0.901 16 L HN 0.297 nan 8.230 nan 0.000 0.433 17 R N -0.073 120.352 120.500 -0.125 0.000 2.081 17 R HA -0.193 4.148 4.340 0.003 0.000 0.235 17 R C 2.219 178.434 176.300 -0.143 0.000 1.131 17 R CA 1.526 57.534 56.100 -0.154 0.000 0.960 17 R CB -0.145 30.050 30.300 -0.175 0.000 0.856 17 R HN 0.422 nan 8.270 nan 0.000 0.436 18 Q N -0.192 119.518 119.800 -0.150 0.000 2.124 18 Q HA -0.132 4.210 4.340 0.003 0.000 0.202 18 Q C 2.148 178.098 176.000 -0.084 0.000 0.977 18 Q CA 1.706 57.439 55.803 -0.115 0.000 0.850 18 Q CB -0.108 28.555 28.738 -0.125 0.000 0.901 18 Q HN 0.482 nan 8.270 nan 0.000 0.429 19 A N 0.681 123.449 122.820 -0.085 0.000 1.930 19 A HA -0.070 4.252 4.320 0.003 0.000 0.217 19 A C 2.251 179.833 177.584 -0.004 0.000 1.175 19 A CA 1.521 53.553 52.037 -0.009 0.000 0.627 19 A CB -0.925 18.124 19.000 0.082 0.000 0.815 19 A HN 0.472 nan 8.150 nan 0.000 0.443 20 G N -0.765 108.017 108.800 -0.029 0.000 2.448 20 G HA2 -0.152 3.809 3.960 0.003 0.000 0.218 20 G HA3 -0.152 3.809 3.960 0.003 0.000 0.218 20 G C 1.364 176.231 174.900 -0.054 0.000 1.135 20 G CA 0.911 45.989 45.100 -0.037 0.000 0.784 20 G HN 0.647 nan 8.290 nan 0.000 0.543 21 E N 0.899 121.055 120.200 -0.075 0.000 2.065 21 E HA -0.156 4.196 4.350 0.003 0.000 0.201 21 E C -0.132 176.444 176.600 -0.040 0.000 1.016 21 E CA 1.438 57.794 56.400 -0.072 0.000 0.818 21 E CB -0.307 29.344 29.700 -0.082 0.000 0.749 21 E HN 0.328 nan 8.360 nan 0.000 0.453 22 P HA -0.079 nan 4.420 nan 0.000 0.226 22 P C 0.955 178.252 177.300 -0.005 0.000 1.153 22 P CA 0.900 63.994 63.100 -0.009 0.000 0.777 22 P CB 0.001 31.702 31.700 0.001 0.000 0.794 23 L N -2.152 119.067 121.223 -0.007 0.000 2.554 23 L HA 0.200 4.542 4.340 0.003 0.000 0.226 23 L C 1.448 178.314 176.870 -0.007 0.000 1.137 23 L CA 0.755 55.594 54.840 -0.002 0.000 0.863 23 L CB -0.907 41.153 42.059 0.003 0.000 0.985 23 L HN 0.113 nan 8.230 nan 0.000 0.451 24 G N 1.125 109.915 108.800 -0.016 0.000 2.137 24 G HA2 -0.268 3.694 3.960 0.003 0.000 0.237 24 G HA3 -0.268 3.694 3.960 0.003 0.000 0.237 24 G C 0.104 174.991 174.900 -0.022 0.000 1.002 24 G CA -0.225 44.865 45.100 -0.016 0.000 0.702 24 G HN 0.299 nan 8.290 nan 0.000 0.515 25 I N 1.275 121.822 120.570 -0.038 0.000 2.330 25 I HA 0.566 4.738 4.170 0.003 0.000 0.289 25 I C 0.799 176.848 176.117 -0.113 0.000 1.001 25 I CA -0.591 60.680 61.300 -0.047 0.000 1.193 25 I CB 1.684 39.663 38.000 -0.034 0.000 1.345 25 I HN 0.255 nan 8.210 nan 0.000 0.461 26 A N 7.171 129.910 122.820 -0.134 0.000 2.354 26 A HA 0.579 4.901 4.320 0.003 0.000 0.281 26 A C -0.285 176.997 177.584 -0.504 0.000 1.174 26 A CA -0.276 51.557 52.037 -0.340 0.000 0.828 26 A CB 0.336 19.201 19.000 -0.226 0.000 1.099 26 A HN 0.497 nan 8.150 nan 0.000 0.516 27 V N 2.866 122.378 119.914 -0.670 0.000 2.448 27 V HA 0.350 4.472 4.120 0.003 0.000 0.295 27 V C -0.996 174.654 176.094 -0.739 0.000 1.025 27 V CA -0.316 61.676 62.300 -0.513 0.000 0.859 27 V CB 1.044 32.724 31.823 -0.237 0.000 0.988 27 V HN 0.923 nan 8.190 nan 0.000 0.431 28 W N 6.245 127.529 121.300 -0.026 0.000 2.322 28 W HA 0.507 5.168 4.660 0.003 0.000 0.321 28 W C -2.632 173.853 176.519 -0.057 0.000 0.991 28 W CA -2.092 55.231 57.345 -0.037 0.000 1.448 28 W CB 1.398 30.837 29.460 -0.034 0.000 1.239 28 W HN 0.335 nan 8.180 nan 0.000 0.399 29 P HA 0.218 nan 4.420 nan 0.000 0.286 29 P C -0.891 176.426 177.300 0.028 0.000 1.269 29 P CA -0.237 62.877 63.100 0.023 0.000 0.787 29 P CB 1.785 33.473 31.700 -0.020 0.000 0.920 30 V N 3.586 123.481 119.914 -0.032 0.000 2.656 30 V HA 0.779 4.901 4.120 0.003 0.000 0.307 30 V C 0.085 176.121 176.094 -0.098 0.000 1.051 30 V CA -0.555 61.711 62.300 -0.057 0.000 0.893 30 V CB 1.840 33.611 31.823 -0.088 0.000 0.999 30 V HN 0.662 nan 8.190 nan 0.000 0.426 31 G N 4.264 113.018 108.800 -0.076 0.000 2.507 31 G HA2 0.424 4.386 3.960 0.003 0.000 0.271 31 G HA3 0.424 4.386 3.960 0.003 0.000 0.271 31 G C 0.623 175.462 174.900 -0.101 0.000 1.189 31 G CA -0.611 44.442 45.100 -0.078 0.000 0.859 31 G HN 0.883 nan 8.290 nan 0.000 0.542 32 L N 0.479 121.647 121.223 -0.092 0.000 2.265 32 L HA -0.048 4.294 4.340 0.003 0.000 0.215 32 L C 2.212 179.041 176.870 -0.068 0.000 1.117 32 L CA 1.207 55.989 54.840 -0.096 0.000 0.782 32 L CB -0.161 41.873 42.059 -0.042 0.000 0.914 32 L HN 0.687 nan 8.230 nan 0.000 0.441 33 D N 0.138 120.510 120.400 -0.047 0.000 2.349 33 D HA 0.015 4.657 4.640 0.003 0.000 0.224 33 D C 0.968 177.244 176.300 -0.040 0.000 1.029 33 D CA 0.272 54.253 54.000 -0.032 0.000 0.879 33 D CB 0.026 40.815 40.800 -0.019 0.000 0.906 33 D HN 0.202 nan 8.370 nan 0.000 0.528 34 A N 0.908 123.692 122.820 -0.059 0.000 2.406 34 A HA 0.265 4.587 4.320 0.003 0.000 0.243 34 A C -0.010 177.539 177.584 -0.060 0.000 1.082 34 A CA -0.449 51.553 52.037 -0.058 0.000 0.786 34 A CB 0.225 19.180 19.000 -0.075 0.000 1.029 34 A HN 0.088 nan 8.150 nan 0.000 0.495 35 E N 1.633 121.809 120.200 -0.041 0.000 2.289 35 E HA 0.363 4.714 4.350 0.003 0.000 0.278 35 E C -2.364 174.223 176.600 -0.021 0.000 1.032 35 E CA -2.144 54.242 56.400 -0.024 0.000 0.854 35 E CB -0.110 29.584 29.700 -0.011 0.000 1.046 35 E HN 0.281 nan 8.360 nan 0.000 0.409 36 P HA -0.159 nan 4.420 nan 0.000 0.226 36 P C 0.647 178.081 177.300 0.224 0.000 1.146 36 P CA 1.445 64.589 63.100 0.073 0.000 0.773 36 P CB 0.228 32.006 31.700 0.129 0.000 0.772 37 A N 0.770 123.645 122.820 0.092 0.000 1.832 37 A HA -0.056 4.266 4.320 0.003 0.000 0.214 37 A C 2.163 179.747 177.584 -0.000 0.000 1.200 37 A CA 1.776 53.838 52.037 0.041 0.000 0.610 37 A CB -1.603 17.400 19.000 0.006 0.000 0.842 37 A HN 0.184 nan 8.150 nan 0.000 0.444 38 A N -0.645 122.159 122.820 -0.026 0.000 2.276 38 A HA 0.336 4.658 4.320 0.003 0.000 0.205 38 A C 0.378 177.902 177.584 -0.099 0.000 1.234 38 A CA 0.753 52.745 52.037 -0.075 0.000 0.797 38 A CB -0.873 18.090 19.000 -0.061 0.000 0.769 38 A HN 0.400 nan 8.150 nan 0.000 0.491 39 V N 0.670 120.575 119.914 -0.015 0.000 2.293 39 V HA 0.233 4.355 4.120 0.003 0.000 0.275 39 V C -2.382 173.738 176.094 0.044 0.000 1.021 39 V CA -1.507 60.810 62.300 0.028 0.000 0.815 39 V CB 1.257 33.141 31.823 0.102 0.000 1.025 39 V HN 0.143 nan 8.190 nan 0.000 0.448 40 P HA -0.006 nan 4.420 nan 0.000 0.271 40 P C 1.139 178.383 177.300 -0.093 0.000 1.601 40 P CA 0.068 63.041 63.100 -0.211 0.000 0.856 40 P CB -0.540 30.934 31.700 -0.376 0.000 1.820 41 F N 0.315 120.174 119.950 -0.153 0.000 2.095 41 F HA -0.266 4.263 4.527 0.003 0.000 0.298 41 F C 1.563 177.309 175.800 -0.089 0.000 1.104 41 F CA 1.251 59.147 58.000 -0.174 0.000 1.232 41 F CB -1.536 37.308 39.000 -0.260 0.000 0.987 41 F HN -0.078 nan 8.300 nan 0.000 0.475 42 Q N 0.828 120.351 119.800 -0.462 0.000 2.439 42 Q HA -0.127 4.215 4.340 0.003 0.000 0.211 42 Q C 0.823 176.791 176.000 -0.054 0.000 0.978 42 Q CA 1.679 57.366 55.803 -0.194 0.000 0.897 42 Q CB -0.657 27.899 28.738 -0.303 0.000 0.956 42 Q HN 0.782 nan 8.270 nan 0.000 0.483 43 Q N -1.414 118.350 119.800 -0.059 0.000 2.084 43 Q HA 0.410 4.751 4.340 0.003 0.000 0.230 43 Q C -0.462 175.554 176.000 0.027 0.000 0.806 43 Q CA -0.166 55.630 55.803 -0.012 0.000 1.083 43 Q CB 1.329 30.048 28.738 -0.032 0.000 1.208 43 Q HN -0.063 nan 8.270 nan 0.000 0.462 44 S N -0.309 115.413 115.700 0.037 0.000 2.715 44 S HA 0.643 5.115 4.470 0.003 0.000 0.307 44 S C -0.594 174.043 174.600 0.062 0.000 1.119 44 S CA -0.690 57.550 58.200 0.067 0.000 0.937 44 S CB 1.885 65.131 63.200 0.077 0.000 1.150 44 S HN 0.057 nan 8.310 nan 0.000 0.521 45 V N 1.937 121.894 119.914 0.072 0.000 2.472 45 V HA 0.477 4.599 4.120 0.003 0.000 0.290 45 V C -0.676 175.446 176.094 0.048 0.000 1.037 45 V CA -0.444 61.907 62.300 0.085 0.000 0.908 45 V CB 1.127 33.007 31.823 0.095 0.000 0.985 45 V HN 0.615 nan 8.190 nan 0.000 0.454 46 I N 4.216 124.801 120.570 0.025 0.000 2.377 46 I HA 0.584 4.755 4.170 0.003 0.000 0.293 46 I C 0.248 176.405 176.117 0.066 0.000 0.987 46 I CA 0.149 61.376 61.300 -0.121 0.000 1.185 46 I CB 1.864 39.578 38.000 -0.476 0.000 1.341 46 I HN 0.607 nan 8.210 nan 0.000 0.455 47 T N 3.772 118.345 114.554 0.031 0.000 2.804 47 T HA 0.892 5.244 4.350 0.003 0.000 0.290 47 T C -1.593 173.188 174.700 0.134 0.000 1.099 47 T CA -0.557 61.720 62.100 0.295 0.000 1.011 47 T CB 1.792 70.880 68.868 0.366 0.000 1.291 47 T HN 0.726 nan 8.240 nan 0.000 0.523 48 A N 0.779 123.727 122.820 0.213 0.000 2.498 48 A HA 0.696 5.017 4.320 0.003 0.000 0.298 48 A C -0.119 177.482 177.584 0.028 0.000 1.075 48 A CA -0.547 51.467 52.037 -0.037 0.000 0.714 48 A CB 1.421 20.253 19.000 -0.279 0.000 1.299 48 A HN 0.926 nan 8.150 nan 0.000 0.407 49 E N 0.706 120.891 120.200 -0.025 0.000 2.548 49 E HA 0.358 4.710 4.350 0.003 0.000 0.206 49 E C 0.110 176.722 176.600 0.021 0.000 1.005 49 E CA -0.082 56.323 56.400 0.007 0.000 0.951 49 E CB -0.206 29.490 29.700 -0.006 0.000 1.035 49 E HN 0.685 nan 8.360 nan 0.000 0.470 50 I N -3.023 117.563 120.570 0.026 0.000 3.002 50 I HA 0.467 4.638 4.170 0.003 0.000 0.310 50 I C 0.310 176.529 176.117 0.170 0.000 1.087 50 I CA -1.193 60.163 61.300 0.093 0.000 1.017 50 I CB 2.328 40.398 38.000 0.118 0.000 1.226 50 I HN -0.232 nan 8.210 nan 0.000 0.443 51 E N 1.280 121.578 120.200 0.162 0.000 2.216 51 E HA 0.067 4.419 4.350 0.003 0.000 0.192 51 E C -0.126 176.445 176.600 -0.047 0.000 0.973 51 E CA 0.406 56.883 56.400 0.129 0.000 0.851 51 E CB 0.389 30.142 29.700 0.089 0.000 0.804 51 E HN 0.639 nan 8.360 nan 0.000 0.477 52 R N -0.403 120.072 120.500 -0.041 0.000 2.710 52 R HA 0.536 4.878 4.340 0.003 0.000 0.270 52 R C -1.958 174.310 176.300 -0.054 0.000 1.021 52 R CA -1.052 54.797 56.100 -0.418 0.000 0.889 52 R CB 0.658 30.764 30.300 -0.324 0.000 1.243 52 R HN 0.042 nan 8.270 nan 0.000 0.464 53 W N -0.337 120.945 121.300 -0.030 0.000 3.153 53 W HA 0.662 5.324 4.660 0.003 0.000 0.316 53 W C -2.782 173.729 176.519 -0.013 0.000 1.255 53 W CA -1.807 55.521 57.345 -0.028 0.000 1.192 53 W CB -0.156 29.280 29.460 -0.041 0.000 1.400 53 W HN 0.651 nan 8.180 nan 0.000 0.568 54 P HA 0.256 nan 4.420 nan 0.000 0.279 54 P C -0.872 176.565 177.300 0.228 0.000 1.276 54 P CA -0.322 62.852 63.100 0.123 0.000 0.801 54 P CB 1.061 32.813 31.700 0.088 0.000 1.127 55 E N -0.100 120.185 120.200 0.142 0.000 2.290 55 E HA 0.264 4.616 4.350 0.003 0.000 0.277 55 E C 0.055 176.715 176.600 0.100 0.000 1.035 55 E CA 0.132 56.618 56.400 0.144 0.000 0.873 55 E CB 0.698 30.453 29.700 0.092 0.000 1.029 55 E HN 0.511 nan 8.360 nan 0.000 0.419 56 T N -0.843 113.757 114.554 0.077 0.000 2.831 56 T HA 0.539 4.891 4.350 0.003 0.000 0.287 56 T C 1.018 175.721 174.700 0.005 0.000 1.070 56 T CA -0.213 61.905 62.100 0.030 0.000 1.010 56 T CB 1.413 70.284 68.868 0.006 0.000 1.264 56 T HN 0.283 nan 8.240 nan 0.000 0.532 57 A N 0.363 123.177 122.820 -0.010 0.000 1.865 57 A HA 0.003 4.325 4.320 0.003 0.000 0.217 57 A C 2.203 179.754 177.584 -0.056 0.000 1.191 57 A CA 2.106 54.133 52.037 -0.016 0.000 0.623 57 A CB -1.293 17.699 19.000 -0.013 0.000 0.826 57 A HN 0.945 nan 8.150 nan 0.000 0.444 58 L N 0.514 121.675 121.223 -0.103 0.000 1.989 58 L HA -0.159 4.182 4.340 0.003 0.000 0.211 58 L C 2.723 179.431 176.870 -0.270 0.000 1.071 58 L CA 3.338 58.048 54.840 -0.217 0.000 0.749 58 L CB -1.331 40.589 42.059 -0.231 0.000 0.890 58 L HN 0.587 nan 8.230 nan 0.000 0.431 59 T N -2.917 111.530 114.554 -0.177 0.000 2.833 59 T HA -0.231 4.121 4.350 0.003 0.000 0.269 59 T C 2.118 176.817 174.700 -0.002 0.000 1.054 59 T CA 1.276 63.295 62.100 -0.134 0.000 1.135 59 T CB -0.565 68.264 68.868 -0.065 0.000 0.869 59 T HN 0.421 nan 8.240 nan 0.000 0.466 60 R N 0.540 121.052 120.500 0.021 0.000 2.091 60 R HA -0.092 4.250 4.340 0.003 0.000 0.238 60 R C 2.702 179.042 176.300 0.066 0.000 1.136 60 R CA 1.582 57.722 56.100 0.067 0.000 0.959 60 R CB -0.180 30.151 30.300 0.052 0.000 0.856 60 R HN 0.478 nan 8.270 nan 0.000 0.437 61 Q N 0.155 119.952 119.800 -0.005 0.000 2.291 61 Q HA -0.111 4.231 4.340 0.003 0.000 0.205 61 Q C 1.939 177.983 176.000 0.073 0.000 0.970 61 Q CA 0.984 56.819 55.803 0.054 0.000 0.876 61 Q CB 0.020 28.748 28.738 -0.016 0.000 0.935 61 Q HN 0.424 nan 8.270 nan 0.000 0.455 62 L N 0.025 121.231 121.223 -0.028 0.000 2.558 62 L HA 0.208 4.549 4.340 0.003 0.000 0.225 62 L C 0.898 177.983 176.870 0.357 0.000 1.128 62 L CA -0.273 54.628 54.840 0.102 0.000 0.868 62 L CB -0.201 41.767 42.059 -0.153 0.000 1.006 62 L HN -0.115 nan 8.230 nan 0.000 0.454 63 A N 0.858 123.842 122.820 0.274 0.000 2.522 63 A HA 0.237 4.559 4.320 0.003 0.000 0.256 63 A C 0.951 178.679 177.584 0.241 0.000 1.086 63 A CA -0.006 52.188 52.037 0.261 0.000 0.763 63 A CB -0.240 18.873 19.000 0.189 0.000 1.024 63 A HN 0.552 nan 8.150 nan 0.000 0.502 64 R N -0.182 120.461 120.500 0.237 0.000 3.994 64 R HA -0.166 4.175 4.340 0.003 0.000 0.403 64 R C 0.178 176.612 176.300 0.225 0.000 1.126 64 R CA 1.193 57.405 56.100 0.186 0.000 1.143 64 R CB -2.030 28.342 30.300 0.121 0.000 1.695 64 R HN 0.934 nan 8.270 nan 0.000 0.555 65 H N 2.858 122.076 119.070 0.247 0.000 3.026 65 H HA 0.040 4.598 4.556 0.003 0.000 0.289 65 H C -1.238 174.235 175.328 0.241 0.000 1.022 65 H CA -1.305 54.889 56.048 0.243 0.000 1.477 65 H CB 1.147 31.077 29.762 0.281 0.000 1.510 65 H HN -0.004 nan 8.280 nan 0.000 0.535 66 P HA -0.132 nan 4.420 nan 0.000 0.221 66 P C 0.861 178.350 177.300 0.315 0.000 1.145 66 P CA 1.361 64.570 63.100 0.181 0.000 0.795 66 P CB 0.100 31.818 31.700 0.029 0.000 0.775 67 A N -1.558 121.607 122.820 0.575 0.000 2.238 67 A HA 0.047 4.369 4.320 0.003 0.000 0.208 67 A C 0.776 178.580 177.584 0.367 0.000 1.177 67 A CA -0.204 52.072 52.037 0.397 0.000 0.804 67 A CB -1.017 18.206 19.000 0.371 0.000 0.823 67 A HN 0.076 nan 8.150 nan 0.000 0.482 68 F N 1.891 121.991 119.950 0.250 0.000 2.423 68 F HA 0.355 4.884 4.527 0.003 0.000 0.356 68 F C 0.136 176.067 175.800 0.219 0.000 1.170 68 F CA -1.587 56.531 58.000 0.196 0.000 1.163 68 F CB -0.006 39.124 39.000 0.217 0.000 1.318 68 F HN -0.117 nan 8.300 nan 0.000 0.569 69 V N 7.762 127.998 119.914 0.537 0.000 2.540 69 V HA 0.022 4.144 4.120 0.003 0.000 0.297 69 V C 0.718 176.887 176.094 0.125 0.000 1.024 69 V CA -0.006 62.456 62.300 0.269 0.000 1.105 69 V CB 0.184 32.112 31.823 0.174 0.000 0.938 69 V HN 0.839 nan 8.190 nan 0.000 0.482 70 N N 2.393 121.047 118.700 -0.077 0.000 2.863 70 N HA -0.240 4.501 4.740 0.003 0.000 0.245 70 N C 1.621 176.877 175.510 -0.424 0.000 1.001 70 N CA 1.235 54.097 53.050 -0.313 0.000 0.901 70 N CB -0.924 37.229 38.487 -0.557 0.000 1.124 70 N HN 0.827 nan 8.380 nan 0.000 0.582 71 R N 1.214 121.559 120.500 -0.260 0.000 2.159 71 R HA -0.209 4.133 4.340 0.003 0.000 0.252 71 R C 0.664 176.939 176.300 -0.042 0.000 1.144 71 R CA 2.391 58.299 56.100 -0.320 0.000 0.961 71 R CB -0.126 30.031 30.300 -0.238 0.000 0.877 71 R HN 0.201 nan 8.270 nan 0.000 0.444 72 D N -0.549 119.804 120.400 -0.079 0.000 2.347 72 D HA -0.030 4.612 4.640 0.003 0.000 0.213 72 D C 1.769 178.012 176.300 -0.094 0.000 0.985 72 D CA 0.558 54.527 54.000 -0.051 0.000 0.879 72 D CB 0.335 41.119 40.800 -0.027 0.000 0.919 72 D HN 0.168 nan 8.370 nan 0.000 0.526 73 V N 0.451 120.242 119.914 -0.205 0.000 2.500 73 V HA -0.134 3.987 4.120 0.003 0.000 0.243 73 V C 1.952 177.919 176.094 -0.211 0.000 1.039 73 V CA 0.676 62.845 62.300 -0.219 0.000 1.053 73 V CB -0.539 31.138 31.823 -0.243 0.000 0.695 73 V HN -0.011 nan 8.190 nan 0.000 0.463 74 F N 0.790 120.726 119.950 -0.023 0.000 2.045 74 F HA -0.179 4.350 4.527 0.003 0.000 0.297 74 F C 0.214 175.925 175.800 -0.148 0.000 1.114 74 F CA 2.331 60.293 58.000 -0.063 0.000 1.207 74 F CB -2.581 36.379 39.000 -0.067 0.000 0.964 74 F HN 0.290 nan 8.300 nan 0.000 0.486 75 P HA -0.159 nan 4.420 nan 0.000 0.218 75 P C 1.846 179.093 177.300 -0.089 0.000 1.148 75 P CA 1.560 64.608 63.100 -0.088 0.000 0.822 75 P CB -0.203 31.439 31.700 -0.095 0.000 0.784 76 I N -1.185 119.332 120.570 -0.088 0.000 2.226 76 I HA -0.199 3.973 4.170 0.003 0.000 0.245 76 I C 2.235 178.267 176.117 -0.142 0.000 1.100 76 I CA 1.465 62.698 61.300 -0.113 0.000 1.374 76 I CB -0.488 37.445 38.000 -0.111 0.000 1.057 76 I HN -0.111 nan 8.210 nan 0.000 0.413 77 I N 0.617 121.113 120.570 -0.123 0.000 2.584 77 I HA -0.107 4.065 4.170 0.003 0.000 0.255 77 I C 2.704 178.754 176.117 -0.112 0.000 1.145 77 I CA 0.764 61.983 61.300 -0.136 0.000 1.462 77 I CB -0.462 37.474 38.000 -0.106 0.000 1.102 77 I HN 0.114 nan 8.210 nan 0.000 0.433 78 A N -0.098 122.675 122.820 -0.079 0.000 2.067 78 A HA -0.176 4.145 4.320 0.003 0.000 0.219 78 A C 1.034 178.554 177.584 -0.106 0.000 1.158 78 A CA 1.081 53.068 52.037 -0.084 0.000 0.661 78 A CB -0.384 18.549 19.000 -0.113 0.000 0.801 78 A HN 0.345 nan 8.150 nan 0.000 0.452 79 D N -0.837 119.489 120.400 -0.124 0.000 2.373 79 D HA 0.301 4.943 4.640 0.003 0.000 0.227 79 D C 1.067 177.266 176.300 -0.168 0.000 1.091 79 D CA -0.494 53.433 54.000 -0.122 0.000 0.840 79 D CB 0.618 41.352 40.800 -0.109 0.000 1.060 79 D HN 0.211 nan 8.370 nan 0.000 0.502 80 R N 2.379 122.781 120.500 -0.165 0.000 2.154 80 R HA -0.198 4.143 4.340 0.003 0.000 0.248 80 R C 1.853 177.948 176.300 -0.342 0.000 1.155 80 R CA 0.986 56.940 56.100 -0.244 0.000 0.979 80 R CB -0.228 29.957 30.300 -0.193 0.000 0.869 80 R HN 0.416 nan 8.270 nan 0.000 0.452 81 L N 1.086 122.176 121.223 -0.222 0.000 2.012 81 L HA -0.185 4.156 4.340 0.003 0.000 0.210 81 L C 2.367 179.092 176.870 -0.240 0.000 1.073 81 L CA 2.485 57.210 54.840 -0.191 0.000 0.748 81 L CB -0.832 41.214 42.059 -0.023 0.000 0.891 81 L HN 0.285 nan 8.230 nan 0.000 0.431 82 T N -3.548 110.883 114.554 -0.205 0.000 2.951 82 T HA -0.180 4.171 4.350 0.003 0.000 0.268 82 T C 1.810 176.309 174.700 -0.336 0.000 1.073 82 T CA 1.211 63.189 62.100 -0.202 0.000 1.134 82 T CB -0.414 68.371 68.868 -0.138 0.000 0.884 82 T HN 0.574 nan 8.240 nan 0.000 0.479 83 Q N 0.715 120.249 119.800 -0.443 0.000 2.046 83 Q HA -0.099 4.242 4.340 0.003 0.000 0.200 83 Q C 2.202 177.526 176.000 -1.127 0.000 0.975 83 Q CA 0.950 56.348 55.803 -0.676 0.000 0.836 83 Q CB 0.005 28.397 28.738 -0.577 0.000 0.896 83 Q HN 0.271 nan 8.270 nan 0.000 0.428 84 K N 0.520 120.303 120.400 -1.027 0.000 2.097 84 K HA -0.168 4.153 4.320 0.003 0.000 0.206 84 K C 2.018 178.250 176.600 -0.614 0.000 1.049 84 K CA 1.370 56.967 56.287 -1.151 0.000 0.933 84 K CB -0.169 31.195 32.500 -1.893 0.000 0.717 84 K HN 0.419 nan 8.250 nan 0.000 0.442 85 Q N 0.396 119.980 119.800 -0.361 0.000 2.170 85 Q HA -0.128 4.214 4.340 0.003 0.000 0.203 85 Q C 2.094 178.018 176.000 -0.127 0.000 0.976 85 Q CA 0.848 56.625 55.803 -0.044 0.000 0.858 85 Q CB -0.155 28.591 28.738 0.013 0.000 0.907 85 Q HN 0.139 nan 8.270 nan 0.000 0.433 86 L N -0.153 120.900 121.223 -0.283 0.000 2.056 86 L HA -0.146 4.196 4.340 0.003 0.000 0.207 86 L C 1.747 178.597 176.870 -0.034 0.000 1.078 86 L CA 1.674 56.404 54.840 -0.184 0.000 0.749 86 L CB -0.420 41.492 42.059 -0.245 0.000 0.901 86 L HN 0.049 nan 8.230 nan 0.000 0.433 87 F N 0.291 120.170 119.950 -0.119 0.000 2.134 87 F HA -0.168 4.361 4.527 0.003 0.000 0.299 87 F C 2.377 178.122 175.800 -0.093 0.000 1.097 87 F CA 1.090 59.026 58.000 -0.106 0.000 1.264 87 F CB -1.463 37.462 39.000 -0.126 0.000 1.001 87 F HN 0.201 nan 8.300 nan 0.000 0.479 88 D N 0.167 120.639 120.400 0.121 0.000 2.144 88 D HA -0.163 4.479 4.640 0.003 0.000 0.200 88 D C 2.259 178.413 176.300 -0.244 0.000 0.978 88 D CA 1.106 55.113 54.000 0.011 0.000 0.833 88 D CB -0.353 40.526 40.800 0.132 0.000 0.961 88 D HN 0.261 nan 8.370 nan 0.000 0.470 89 K N 0.470 120.788 120.400 -0.137 0.000 2.147 89 K HA -0.059 4.263 4.320 0.003 0.000 0.205 89 K C 1.783 178.297 176.600 -0.143 0.000 1.049 89 K CA 0.724 56.921 56.287 -0.150 0.000 0.936 89 K CB -0.025 32.444 32.500 -0.053 0.000 0.722 89 K HN 0.145 nan 8.250 nan 0.000 0.446 90 L N 0.204 121.389 121.223 -0.064 0.000 2.592 90 L HA 0.050 4.391 4.340 0.003 0.000 0.227 90 L C -0.151 176.770 176.870 0.084 0.000 1.127 90 L CA -0.009 54.852 54.840 0.035 0.000 0.884 90 L CB -0.242 41.853 42.059 0.060 0.000 1.065 90 L HN 0.373 nan 8.230 nan 0.000 0.457 91 H N -0.464 118.646 119.070 0.068 0.000 2.826 91 H HA -0.113 4.444 4.556 0.003 0.000 0.306 91 H C -0.086 175.264 175.328 0.037 0.000 1.235 91 H CA 0.361 56.442 56.048 0.055 0.000 1.150 91 H CB -1.898 27.886 29.762 0.036 0.000 1.409 91 H HN 0.272 nan 8.280 nan 0.000 0.420 92 L N 2.062 123.324 121.223 0.065 0.000 2.307 92 L HA 0.350 4.692 4.340 0.003 0.000 0.282 92 L C -1.512 175.349 176.870 -0.016 0.000 1.051 92 L CA -1.826 53.012 54.840 -0.003 0.000 0.804 92 L CB 1.128 43.138 42.059 -0.083 0.000 1.197 92 L HN -0.091 nan 8.230 nan 0.000 0.431 93 P HA 0.090 nan 4.420 nan 0.000 0.267 93 P C -0.522 176.738 177.300 -0.068 0.000 1.205 93 P CA 0.119 63.208 63.100 -0.018 0.000 0.765 93 P CB 1.305 32.993 31.700 -0.019 0.000 0.828 94 T N 0.933 115.501 114.554 0.025 0.000 2.802 94 T HA 0.573 4.925 4.350 0.003 0.000 0.311 94 T C -1.194 173.596 174.700 0.150 0.000 1.405 94 T CA -0.502 61.617 62.100 0.032 0.000 1.016 94 T CB 1.011 69.933 68.868 0.089 0.000 1.352 94 T HN 0.389 nan 8.240 nan 0.000 0.498 95 A N 3.366 126.295 122.820 0.182 0.000 2.462 95 A HA 0.594 4.915 4.320 0.003 0.000 0.243 95 A C -2.426 175.348 177.584 0.317 0.000 1.076 95 A CA -0.886 51.295 52.037 0.241 0.000 0.773 95 A CB -0.514 18.652 19.000 0.276 0.000 1.010 95 A HN 0.586 nan 8.150 nan 0.000 0.493 96 P HA 0.124 nan 4.420 nan 0.000 0.265 96 P C -0.244 177.255 177.300 0.332 0.000 1.193 96 P CA 0.398 63.648 63.100 0.250 0.000 0.765 96 P CB 0.241 32.020 31.700 0.132 0.000 0.823 97 W N 2.336 123.651 121.300 0.024 0.000 2.923 97 W HA 0.551 5.212 4.660 0.003 0.000 0.373 97 W C -1.804 174.699 176.519 -0.027 0.000 1.205 97 W CA -0.820 56.528 57.345 0.005 0.000 1.180 97 W CB 0.711 30.183 29.460 0.020 0.000 1.477 97 W HN 0.527 nan 8.180 nan 0.000 0.581 98 Q N 0.679 120.475 119.800 -0.007 0.000 2.702 98 Q HA 0.505 4.847 4.340 0.003 0.000 0.289 98 Q C -2.006 174.022 176.000 0.047 0.000 0.923 98 Q CA -1.095 54.513 55.803 -0.325 0.000 0.787 98 Q CB 2.264 30.809 28.738 -0.322 0.000 1.476 98 Q HN 0.497 nan 8.270 nan 0.000 0.402 99 L N 1.388 122.594 121.223 -0.028 0.000 2.455 99 L HA 0.287 4.628 4.340 0.003 0.000 0.272 99 L C -1.008 175.821 176.870 -0.068 0.000 1.174 99 L CA -0.071 54.794 54.840 0.043 0.000 0.869 99 L CB 0.732 42.796 42.059 0.008 0.000 1.130 99 L HN 0.690 nan 8.230 nan 0.000 0.474 100 L N 6.014 127.185 121.223 -0.086 0.000 2.288 100 L HA 0.480 4.821 4.340 0.003 0.000 0.283 100 L C 0.937 177.752 176.870 -0.091 0.000 1.072 100 L CA 0.651 55.378 54.840 -0.189 0.000 0.862 100 L CB 0.503 42.385 42.059 -0.296 0.000 1.245 100 L HN 0.853 nan 8.230 nan 0.000 0.432 101 A N 4.524 127.302 122.820 -0.070 0.000 1.935 101 A HA 0.159 4.480 4.320 0.003 0.000 0.214 101 A C 0.509 178.126 177.584 0.055 0.000 1.178 101 A CA 1.032 53.064 52.037 -0.009 0.000 0.640 101 A CB -0.095 18.876 19.000 -0.048 0.000 0.825 101 A HN 0.727 nan 8.150 nan 0.000 0.447 102 E N -2.135 118.061 120.200 -0.006 0.000 2.401 102 E HA 0.329 4.681 4.350 0.003 0.000 0.280 102 E C -0.462 175.925 176.600 -0.355 0.000 1.039 102 E CA -0.826 55.454 56.400 -0.200 0.000 0.814 102 E CB 0.498 30.093 29.700 -0.174 0.000 1.275 102 E HN 0.199 nan 8.360 nan 0.000 0.448 103 R N 0.672 120.771 120.500 -0.668 0.000 2.200 103 R HA -0.068 4.273 4.340 0.003 0.000 0.234 103 R C 1.667 177.944 176.300 -0.039 0.000 1.127 103 R CA 1.414 57.327 56.100 -0.312 0.000 0.989 103 R CB -0.428 29.706 30.300 -0.277 0.000 0.869 103 R HN 0.365 nan 8.270 nan 0.000 0.459 104 S N 1.765 117.396 115.700 -0.116 0.000 2.372 104 S HA -0.194 4.278 4.470 0.003 0.000 0.227 104 S C 1.625 176.210 174.600 -0.026 0.000 1.044 104 S CA 1.854 60.026 58.200 -0.046 0.000 1.050 104 S CB -0.173 62.982 63.200 -0.075 0.000 0.901 104 S HN 0.504 nan 8.310 nan 0.000 0.447 105 E N -0.240 119.880 120.200 -0.134 0.000 2.267 105 E HA -0.191 4.160 4.350 0.003 0.000 0.197 105 E C 1.592 178.131 176.600 -0.101 0.000 0.998 105 E CA 0.900 57.196 56.400 -0.173 0.000 0.830 105 E CB -0.273 29.265 29.700 -0.271 0.000 0.751 105 E HN 0.675 nan 8.360 nan 0.000 0.491 106 W N 0.652 121.977 121.300 0.041 0.000 2.305 106 W HA -0.167 4.496 4.660 0.004 0.000 0.308 106 W C -0.659 175.977 176.519 0.195 0.000 1.226 106 W CA 0.737 58.136 57.345 0.090 0.000 1.253 106 W CB -1.297 28.292 29.460 0.215 0.000 1.146 106 W HN 0.201 nan 8.180 nan 0.000 0.507 107 P HA -0.127 nan 4.420 nan 0.000 0.216 107 P C 1.531 178.976 177.300 0.241 0.000 1.153 107 P CA 2.740 66.038 63.100 0.330 0.000 0.844 107 P CB -0.340 31.480 31.700 0.199 0.000 0.787 108 A N -0.797 122.104 122.820 0.135 0.000 2.015 108 A HA -0.113 4.209 4.320 0.003 0.000 0.219 108 A C 2.302 179.910 177.584 0.041 0.000 1.163 108 A CA 1.385 53.462 52.037 0.066 0.000 0.646 108 A CB -1.606 17.398 19.000 0.007 0.000 0.806 108 A HN 0.015 nan 8.150 nan 0.000 0.448 109 V N -1.340 118.581 119.914 0.012 0.000 2.323 109 V HA -0.199 3.923 4.120 0.003 0.000 0.244 109 V C 2.258 178.334 176.094 -0.030 0.000 1.041 109 V CA 1.941 64.180 62.300 -0.101 0.000 1.025 109 V CB -0.802 30.858 31.823 -0.272 0.000 0.656 109 V HN 0.628 nan 8.190 nan 0.000 0.451 110 F N 0.434 120.508 119.950 0.206 0.000 2.134 110 F HA -0.202 4.327 4.527 0.003 0.000 0.299 110 F C 2.253 178.112 175.800 0.097 0.000 1.097 110 F CA 1.990 60.087 58.000 0.162 0.000 1.264 110 F CB -0.399 38.692 39.000 0.152 0.000 1.001 110 F HN 0.219 nan 8.300 nan 0.000 0.479 111 D N -0.001 120.547 120.400 0.248 0.000 2.106 111 D HA -0.247 4.394 4.640 0.003 0.000 0.191 111 D C 2.257 178.621 176.300 0.107 0.000 0.997 111 D CA 1.756 55.845 54.000 0.148 0.000 0.834 111 D CB -0.013 40.849 40.800 0.104 0.000 0.956 111 D HN 0.159 nan 8.370 nan 0.000 0.448 112 R N -0.110 120.437 120.500 0.079 0.000 2.093 112 R HA 0.062 4.404 4.340 0.003 0.000 0.224 112 R C 1.889 178.223 176.300 0.057 0.000 1.101 112 R CA 1.018 57.146 56.100 0.047 0.000 0.979 112 R CB -0.327 29.977 30.300 0.007 0.000 0.877 112 R HN 0.236 nan 8.270 nan 0.000 0.441 113 L N 0.191 121.455 121.223 0.069 0.000 2.509 113 L HA 0.373 4.715 4.340 0.003 0.000 0.222 113 L C 0.900 177.845 176.870 0.125 0.000 1.123 113 L CA 0.183 55.073 54.840 0.084 0.000 0.856 113 L CB -0.181 41.914 42.059 0.060 0.000 0.985 113 L HN 0.617 nan 8.230 nan 0.000 0.456 114 G N 0.484 109.380 108.800 0.160 0.000 2.549 114 G HA2 -0.221 3.740 3.960 0.003 0.000 0.404 114 G HA3 -0.221 3.740 3.960 0.003 0.000 0.404 114 G C 0.119 175.170 174.900 0.250 0.000 1.292 114 G CA -0.113 45.084 45.100 0.161 0.000 0.935 114 G HN 0.156 nan 8.290 nan 0.000 0.512 115 E N -0.883 119.421 120.200 0.173 0.000 2.085 115 E HA 0.016 4.367 4.350 0.003 0.000 0.194 115 E C 1.344 178.085 176.600 0.236 0.000 0.994 115 E CA 1.408 57.899 56.400 0.153 0.000 0.801 115 E CB 0.097 29.828 29.700 0.052 0.000 0.743 115 E HN 0.501 nan 8.360 nan 0.000 0.453 116 L N 0.023 121.372 121.223 0.211 0.000 2.313 116 L HA 0.498 4.840 4.340 0.003 0.000 0.283 116 L C -1.183 175.839 176.870 0.254 0.000 1.013 116 L CA -0.605 54.376 54.840 0.235 0.000 0.816 116 L CB 1.495 43.626 42.059 0.120 0.000 1.236 116 L HN -0.090 nan 8.230 nan 0.000 0.419 117 A N 6.323 129.335 122.820 0.320 0.000 2.276 117 A HA 0.680 5.001 4.320 0.003 0.000 0.316 117 A C -0.730 176.994 177.584 0.234 0.000 1.229 117 A CA -0.550 51.624 52.037 0.229 0.000 0.851 117 A CB 0.352 19.454 19.000 0.171 0.000 1.165 117 A HN 0.547 nan 8.150 nan 0.000 0.513 118 I N 4.178 124.868 120.570 0.201 0.000 2.307 118 I HA 0.244 4.415 4.170 0.003 0.000 0.289 118 I C -0.251 175.999 176.117 0.221 0.000 1.021 118 I CA -0.297 61.123 61.300 0.200 0.000 1.224 118 I CB 0.739 38.840 38.000 0.168 0.000 1.376 118 I HN 0.256 nan 8.210 nan 0.000 0.470 119 V N 7.774 127.864 119.914 0.294 0.000 2.427 119 V HA 0.452 4.573 4.120 0.003 0.000 0.286 119 V C 0.168 176.482 176.094 0.366 0.000 1.034 119 V CA -0.713 61.775 62.300 0.314 0.000 0.893 119 V CB 1.721 33.761 31.823 0.361 0.000 0.982 119 V HN 0.640 nan 8.190 nan 0.000 0.452 120 K N 3.957 124.509 120.400 0.255 0.000 2.468 120 K HA 0.564 4.886 4.320 0.003 0.000 0.252 120 K C -0.752 175.957 176.600 0.183 0.000 0.932 120 K CA -0.950 55.459 56.287 0.203 0.000 0.794 120 K CB 2.745 35.298 32.500 0.088 0.000 1.241 120 K HN 0.524 nan 8.250 nan 0.000 0.428 121 R N 1.619 122.244 120.500 0.209 0.000 2.570 121 R HA 0.046 4.388 4.340 0.003 0.000 0.277 121 R C 1.088 177.417 176.300 0.047 0.000 1.039 121 R CA 0.263 56.450 56.100 0.144 0.000 1.065 121 R CB 0.369 30.752 30.300 0.138 0.000 0.964 121 R HN 0.521 nan 8.270 nan 0.000 0.428 122 R N 0.316 120.828 120.500 0.020 0.000 2.096 122 R HA -0.085 4.257 4.340 0.003 0.000 0.235 122 R C 0.684 176.960 176.300 -0.039 0.000 1.127 122 R CA 1.718 57.804 56.100 -0.024 0.000 0.968 122 R CB 0.060 30.344 30.300 -0.027 0.000 0.861 122 R HN 0.745 nan 8.270 nan 0.000 0.440 123 T N -5.551 108.990 114.554 -0.022 0.000 2.883 123 T HA 0.510 4.862 4.350 0.003 0.000 0.301 123 T C 0.551 175.242 174.700 -0.015 0.000 1.158 123 T CA -0.354 61.724 62.100 -0.035 0.000 1.007 123 T CB 2.148 70.985 68.868 -0.050 0.000 1.186 123 T HN 0.201 nan 8.240 nan 0.000 0.499 124 G N 0.373 109.162 108.800 -0.019 0.000 2.160 124 G HA2 0.203 4.164 3.960 0.003 0.000 0.251 124 G HA3 0.203 4.164 3.960 0.003 0.000 0.251 124 G C 1.099 175.997 174.900 -0.005 0.000 1.008 124 G CA 0.473 45.570 45.100 -0.006 0.000 0.724 124 G HN 2.183 nan 8.290 nan 0.000 0.514 131 Q N 0.106 119.350 119.800 -0.927 0.000 2.353 131 Q HA 0.577 4.918 4.340 0.003 0.000 0.275 131 Q C -1.628 173.881 176.000 -0.819 0.000 1.029 131 Q CA -0.985 54.487 55.803 -0.550 0.000 0.848 131 Q CB 2.350 30.951 28.738 -0.229 0.000 1.390 131 Q HN 0.267 nan 8.270 nan 0.000 0.401 132 W N 2.756 124.081 121.300 0.042 0.000 3.022 132 W HA 0.530 5.191 4.660 0.002 0.000 0.335 132 W C -0.616 175.944 176.519 0.067 0.000 1.133 132 W CA -0.722 56.652 57.345 0.049 0.000 1.219 132 W CB 2.062 31.556 29.460 0.056 0.000 1.409 132 W HN 0.500 nan 8.180 nan 0.000 0.507 133 R N 2.909 123.559 120.500 0.250 0.000 2.360 133 R HA 0.666 5.007 4.340 0.003 0.000 0.318 133 R C -0.609 175.801 176.300 0.182 0.000 0.950 133 R CA -0.690 55.520 56.100 0.183 0.000 0.837 133 R CB 1.722 32.082 30.300 0.099 0.000 1.165 133 R HN 0.329 nan 8.270 nan 0.000 0.458 134 L N 2.315 123.660 121.223 0.203 0.000 2.354 134 L HA 0.651 4.993 4.340 0.003 0.000 0.264 134 L C 0.040 177.028 176.870 0.196 0.000 1.008 134 L CA -1.182 53.748 54.840 0.150 0.000 0.819 134 L CB 2.319 44.434 42.059 0.094 0.000 1.339 134 L HN 0.413 nan 8.230 nan 0.000 0.420 135 R N -0.085 120.425 120.500 0.017 0.000 2.873 135 R HA 0.558 4.900 4.340 0.003 0.000 0.264 135 R C 0.737 176.707 176.300 -0.551 0.000 1.026 135 R CA -0.389 55.603 56.100 -0.179 0.000 1.002 135 R CB 1.802 32.010 30.300 -0.152 0.000 1.174 135 R HN 0.803 nan 8.270 nan 0.000 0.488 136 A N 1.401 123.487 122.820 -1.224 0.000 2.042 136 A HA -0.238 4.084 4.320 0.003 0.000 0.222 136 A C 1.351 178.634 177.584 -0.502 0.000 1.167 136 A CA 1.931 53.254 52.037 -1.189 0.000 0.649 136 A CB -0.598 17.709 19.000 -1.155 0.000 0.809 136 A HN 0.822 nan 8.150 nan 0.000 0.457 137 N N 0.292 118.779 118.700 -0.355 0.000 2.376 137 N HA -0.109 4.633 4.740 0.003 0.000 0.177 137 N C 0.932 176.335 175.510 -0.179 0.000 1.024 137 N CA 1.173 54.094 53.050 -0.215 0.000 0.893 137 N CB -0.518 37.873 38.487 -0.161 0.000 0.980 137 N HN 0.746 nan 8.380 nan 0.000 0.439 138 E N 0.087 120.172 120.200 -0.191 0.000 2.479 138 E HA 0.085 4.436 4.350 0.003 0.000 0.193 138 E C 0.689 177.191 176.600 -0.164 0.000 1.049 138 E CA 0.063 56.382 56.400 -0.135 0.000 0.870 138 E CB -0.178 29.473 29.700 -0.082 0.000 0.944 138 E HN 0.145 nan 8.360 nan 0.000 0.492 139 T N 1.803 116.186 114.554 -0.286 0.000 2.918 139 T HA -0.150 4.202 4.350 0.003 0.000 0.271 139 T C 1.506 176.114 174.700 -0.153 0.000 1.104 139 T CA 1.063 62.926 62.100 -0.395 0.000 1.114 139 T CB -0.105 68.284 68.868 -0.797 0.000 0.855 139 T HN 0.215 nan 8.240 nan 0.000 0.518 140 E N 1.214 121.363 120.200 -0.084 0.000 2.150 140 E HA -0.116 4.236 4.350 0.003 0.000 0.193 140 E C 2.251 178.851 176.600 0.000 0.000 0.985 140 E CA 0.836 57.228 56.400 -0.012 0.000 0.814 140 E CB -0.223 29.470 29.700 -0.012 0.000 0.752 140 E HN 0.673 nan 8.360 nan 0.000 0.466 141 Q N 0.381 120.170 119.800 -0.019 0.000 2.297 141 Q HA -0.106 4.236 4.340 0.003 0.000 0.208 141 Q C 0.759 176.722 176.000 -0.062 0.000 0.981 141 Q CA 0.225 56.026 55.803 -0.002 0.000 0.876 141 Q CB -0.189 28.568 28.738 0.032 0.000 0.921 141 Q HN 0.081 nan 8.270 nan 0.000 0.446 142 L N 2.194 123.342 121.223 -0.125 0.000 2.360 142 L HA 0.200 4.541 4.340 0.003 0.000 0.276 142 L C -2.360 174.358 176.870 -0.253 0.000 1.121 142 L CA -1.959 52.662 54.840 -0.366 0.000 0.845 142 L CB 0.462 42.344 42.059 -0.296 0.000 1.143 142 L HN -0.176 nan 8.230 nan 0.000 0.452 143 P HA 0.057 nan 4.420 nan 0.000 0.266 143 P C 0.021 177.261 177.300 -0.100 0.000 1.195 143 P CA 0.106 63.115 63.100 -0.152 0.000 0.768 143 P CB 0.750 32.374 31.700 -0.128 0.000 0.838 144 A N 2.988 125.850 122.820 0.071 0.000 2.076 144 A HA -0.207 4.114 4.320 0.003 0.000 0.220 144 A C 1.809 179.478 177.584 0.142 0.000 1.160 144 A CA 1.538 53.711 52.037 0.226 0.000 0.653 144 A CB -0.887 18.196 19.000 0.139 0.000 0.801 144 A HN 0.500 nan 8.150 nan 0.000 0.455 145 E N -0.889 119.321 120.200 0.016 0.000 2.268 145 E HA -0.107 4.244 4.350 0.003 0.000 0.195 145 E C 1.759 178.315 176.600 -0.072 0.000 0.995 145 E CA 1.014 57.410 56.400 -0.006 0.000 0.836 145 E CB -0.680 29.019 29.700 -0.001 0.000 0.763 145 E HN 0.678 nan 8.360 nan 0.000 0.491 146 C N -0.070 119.093 119.300 -0.229 0.000 2.446 146 C HA -0.051 4.411 4.460 0.003 0.000 0.279 146 C C 0.599 175.372 174.990 -0.361 0.000 1.366 146 C CA -0.313 58.490 59.018 -0.358 0.000 1.763 146 C CB -1.092 26.253 27.740 -0.659 0.000 1.929 146 C HN 0.306 nan 8.230 nan 0.000 0.509 147 Y N 1.117 121.369 120.300 -0.080 0.000 2.729 147 Y HA 0.338 4.889 4.550 0.003 0.000 0.331 147 Y C 1.580 177.443 175.900 -0.063 0.000 1.208 147 Y CA 1.400 59.451 58.100 -0.081 0.000 1.521 147 Y CB -0.219 38.200 38.460 -0.069 0.000 1.233 147 Y HN 0.485 nan 8.280 nan 0.000 0.539 148 G N 2.106 110.924 108.800 0.030 0.000 2.268 148 G HA2 -0.281 3.681 3.960 0.003 0.000 0.240 148 G HA3 -0.281 3.681 3.960 0.003 0.000 0.240 148 G C 0.857 175.751 174.900 -0.010 0.000 1.010 148 G CA 0.294 45.401 45.100 0.012 0.000 0.618 148 G HN 0.535 nan 8.290 nan 0.000 0.516 149 E N -0.280 119.902 120.200 -0.031 0.000 2.526 149 E HA 0.369 4.721 4.350 0.003 0.000 0.208 149 E C 0.474 177.062 176.600 -0.021 0.000 0.997 149 E CA 0.531 56.917 56.400 -0.024 0.000 0.961 149 E CB 0.535 30.223 29.700 -0.019 0.000 1.030 149 E HN 0.521 nan 8.360 nan 0.000 0.483 150 C N 0.773 120.047 119.300 -0.043 0.000 2.994 150 C HA 0.648 5.110 4.460 0.003 0.000 0.304 150 C C 0.309 175.299 174.990 0.001 0.000 1.273 150 C CA -1.203 57.809 59.018 -0.010 0.000 1.537 150 C CB 1.327 29.041 27.740 -0.044 0.000 2.001 150 C HN 0.311 nan 8.230 nan 0.000 0.471 151 I N 0.117 120.716 120.570 0.049 0.000 2.947 151 I HA 0.923 5.094 4.170 0.003 0.000 0.314 151 I C -0.685 175.490 176.117 0.097 0.000 1.028 151 I CA -0.592 60.773 61.300 0.108 0.000 1.077 151 I CB 1.422 39.507 38.000 0.141 0.000 1.274 151 I HN 0.424 nan 8.210 nan 0.000 0.485 152 V N 2.243 122.231 119.914 0.124 0.000 2.841 152 V HA 0.637 4.758 4.120 0.003 0.000 0.310 152 V C -1.067 175.128 176.094 0.168 0.000 1.090 152 V CA -0.016 62.344 62.300 0.099 0.000 0.930 152 V CB 2.161 33.958 31.823 -0.044 0.000 1.014 152 V HN 1.091 nan 8.190 nan 0.000 0.425 153 E N 3.612 123.918 120.200 0.177 0.000 2.446 153 E HA 0.397 4.749 4.350 0.003 0.000 0.276 153 E C -1.365 175.338 176.600 0.172 0.000 0.969 153 E CA -0.969 55.558 56.400 0.212 0.000 0.800 153 E CB 1.717 31.569 29.700 0.253 0.000 1.341 153 E HN 0.705 nan 8.360 nan 0.000 0.460 154 Q N 0.689 120.593 119.800 0.173 0.000 2.274 154 Q HA 0.161 4.502 4.340 0.003 0.000 0.280 154 Q C -0.226 175.859 176.000 0.142 0.000 1.047 154 Q CA -0.036 55.854 55.803 0.145 0.000 0.907 154 Q CB 0.512 29.332 28.738 0.136 0.000 1.171 154 Q HN 0.698 nan 8.270 nan 0.000 0.381 155 G N 5.171 114.038 108.800 0.112 0.000 2.354 155 G HA2 0.258 4.220 3.960 0.003 0.000 0.266 155 G HA3 0.258 4.220 3.960 0.003 0.000 0.266 155 G C -0.181 174.730 174.900 0.018 0.000 1.242 155 G CA -0.538 44.602 45.100 0.067 0.000 0.923 155 G HN 0.578 nan 8.290 nan 0.000 0.476 156 I N 2.661 123.213 120.570 -0.029 0.000 2.365 156 I HA 0.112 4.284 4.170 0.003 0.000 0.291 156 I C 0.295 176.295 176.117 -0.195 0.000 1.004 156 I CA -1.010 60.262 61.300 -0.047 0.000 1.311 156 I CB 1.400 39.405 38.000 0.009 0.000 1.401 156 I HN 0.378 nan 8.210 nan 0.000 0.491 157 N N 7.506 126.118 118.700 -0.145 0.000 3.124 157 N HA 0.109 4.851 4.740 0.003 0.000 0.284 157 N C -0.503 174.865 175.510 -0.236 0.000 1.209 157 N CA -0.213 52.670 53.050 -0.278 0.000 1.149 157 N CB -0.064 38.328 38.487 -0.158 0.000 1.434 157 N HN 0.358 nan 8.380 nan 0.000 0.529 158 F N -0.659 119.195 119.950 -0.161 0.000 2.406 158 F HA 0.268 4.796 4.527 0.003 0.000 0.327 158 F C 1.718 177.513 175.800 -0.008 0.000 1.153 158 F CA -0.899 57.059 58.000 -0.070 0.000 1.218 158 F CB 0.312 39.248 39.000 -0.106 0.000 1.215 158 F HN 0.034 nan 8.300 nan 0.000 0.570 159 S N -0.141 115.730 115.700 0.286 0.000 2.461 159 S HA 0.488 4.960 4.470 0.003 0.000 0.228 159 S C 0.708 175.513 174.600 0.342 0.000 1.005 159 S CA 0.227 58.556 58.200 0.215 0.000 0.942 159 S CB -0.501 62.792 63.200 0.154 0.000 0.776 159 S HN 1.282 nan 8.310 nan 0.000 0.514 160 G N -0.278 108.810 108.800 0.481 0.000 2.506 160 G HA2 0.527 4.489 3.960 0.003 0.000 0.292 160 G HA3 0.527 4.489 3.960 0.003 0.000 0.292 160 G C -2.253 172.784 174.900 0.229 0.000 1.425 160 G CA -0.915 44.450 45.100 0.442 0.000 0.788 160 G HN 0.164 nan 8.290 nan 0.000 0.490 161 E N -0.976 119.313 120.200 0.148 0.000 2.238 161 E HA 0.641 4.993 4.350 0.003 0.000 0.267 161 E C -0.582 176.076 176.600 0.097 0.000 0.887 161 E CA -1.019 55.387 56.400 0.010 0.000 0.769 161 E CB 2.993 32.680 29.700 -0.022 0.000 1.187 161 E HN 0.792 nan 8.360 nan 0.000 0.416 162 V N -1.154 118.760 119.914 -0.001 0.000 3.114 162 V HA 0.829 4.951 4.120 0.003 0.000 0.308 162 V C -0.630 175.411 176.094 -0.088 0.000 1.168 162 V CA -0.834 61.431 62.300 -0.058 0.000 1.015 162 V CB 1.813 33.551 31.823 -0.143 0.000 1.050 162 V HN 0.766 nan 8.190 nan 0.000 0.433 163 S N 2.599 118.253 115.700 -0.075 0.000 2.570 163 S HA 0.869 5.340 4.470 0.003 0.000 0.286 163 S C -1.219 173.344 174.600 -0.060 0.000 1.099 163 S CA -0.751 57.386 58.200 -0.105 0.000 0.913 163 S CB 1.875 65.005 63.200 -0.116 0.000 1.085 163 S HN 1.543 nan 8.310 nan 0.000 0.480 164 L N 2.502 123.676 121.223 -0.082 0.000 2.305 164 L HA 0.726 5.068 4.340 0.003 0.000 0.284 164 L C -1.224 175.672 176.870 0.043 0.000 1.013 164 L CA -0.537 54.296 54.840 -0.013 0.000 0.819 164 L CB 1.502 43.508 42.059 -0.090 0.000 1.227 164 L HN 0.692 nan 8.230 nan 0.000 0.417 165 V N 5.144 125.155 119.914 0.163 0.000 2.435 165 V HA 0.967 5.089 4.120 0.003 0.000 0.290 165 V C 0.523 176.824 176.094 0.345 0.000 1.030 165 V CA 0.150 62.560 62.300 0.182 0.000 0.881 165 V CB 0.894 32.771 31.823 0.089 0.000 0.983 165 V HN 0.975 nan 8.190 nan 0.000 0.445 166 G N 2.596 111.540 108.800 0.239 0.000 2.706 166 G HA2 0.895 4.856 3.960 0.003 0.000 0.307 166 G HA3 0.895 4.856 3.960 0.003 0.000 0.307 166 G C -1.423 173.445 174.900 -0.053 0.000 1.307 166 G CA -0.054 45.099 45.100 0.088 0.000 0.790 166 G HN 1.152 nan 8.290 nan 0.000 0.503 167 A N -0.676 121.986 122.820 -0.263 0.000 2.606 167 A HA 0.896 5.218 4.320 0.003 0.000 0.293 167 A C -0.870 176.579 177.584 -0.226 0.000 1.082 167 A CA -0.564 51.395 52.037 -0.130 0.000 0.685 167 A CB 2.029 20.961 19.000 -0.114 0.000 1.284 167 A HN 0.997 nan 8.150 nan 0.000 0.408 168 R N 0.752 121.183 120.500 -0.114 0.000 2.621 168 R HA 0.617 4.959 4.340 0.003 0.000 0.292 168 R C 0.056 176.236 176.300 -0.200 0.000 0.969 168 R CA -0.028 55.991 56.100 -0.135 0.000 0.887 168 R CB 1.885 32.165 30.300 -0.033 0.000 1.180 168 R HN 1.146 nan 8.270 nan 0.000 0.450 169 G N 1.551 110.241 108.800 -0.184 0.000 2.502 169 G HA2 0.229 4.190 3.960 0.003 0.000 0.305 169 G HA3 0.229 4.190 3.960 0.003 0.000 0.305 169 G C 0.050 174.832 174.900 -0.196 0.000 1.190 169 G CA -0.686 44.287 45.100 -0.210 0.000 0.933 169 G HN 0.582 nan 8.290 nan 0.000 0.503 170 F N 0.204 120.112 119.950 -0.069 0.000 2.307 170 F HA -0.070 4.459 4.527 0.003 0.000 0.301 170 F C 2.422 178.199 175.800 -0.038 0.000 1.076 170 F CA 1.651 59.618 58.000 -0.055 0.000 1.383 170 F CB 0.152 39.124 39.000 -0.047 0.000 1.055 170 F HN 0.489 nan 8.300 nan 0.000 0.526 171 D N -1.564 118.908 120.400 0.121 0.000 2.339 171 D HA 0.147 4.789 4.640 0.003 0.000 0.217 171 D C 1.901 178.219 176.300 0.029 0.000 1.050 171 D CA 0.890 54.931 54.000 0.069 0.000 0.856 171 D CB -0.216 40.612 40.800 0.048 0.000 0.922 171 D HN 0.295 nan 8.370 nan 0.000 0.518 172 G N 0.410 109.214 108.800 0.006 0.000 2.175 172 G HA2 -0.284 3.678 3.960 0.003 0.000 0.244 172 G HA3 -0.284 3.678 3.960 0.003 0.000 0.244 172 G C 0.404 175.289 174.900 -0.025 0.000 0.982 172 G CA 0.360 45.456 45.100 -0.006 0.000 0.641 172 G HN 0.812 nan 8.290 nan 0.000 0.527 173 S N 0.228 115.905 115.700 -0.040 0.000 2.585 173 S HA 0.664 5.136 4.470 0.003 0.000 0.273 173 S C 0.247 174.777 174.600 -0.116 0.000 1.339 173 S CA 0.923 59.087 58.200 -0.060 0.000 1.028 173 S CB 1.711 64.875 63.200 -0.059 0.000 0.906 173 S HN 1.722 nan 8.310 nan 0.000 0.528 174 T N -1.578 112.882 114.554 -0.157 0.000 2.903 174 T HA 0.748 5.100 4.350 0.003 0.000 0.299 174 T C -0.439 173.968 174.700 -0.488 0.000 1.093 174 T CA -0.507 61.386 62.100 -0.344 0.000 1.002 174 T CB 0.974 69.647 68.868 -0.325 0.000 1.127 174 T HN 1.769 nan 8.240 nan 0.000 0.488 175 V N -0.948 118.483 119.914 -0.805 0.000 3.087 175 V HA 0.935 5.056 4.120 0.003 0.000 0.306 175 V C -1.707 173.813 176.094 -0.958 0.000 1.187 175 V CA -1.333 60.583 62.300 -0.640 0.000 0.999 175 V CB 1.470 33.076 31.823 -0.361 0.000 1.049 175 V HN 0.991 nan 8.190 nan 0.000 0.431 176 F N 0.868 120.699 119.950 -0.198 0.000 2.626 176 F HA 0.785 5.314 4.527 0.003 0.000 0.311 176 F C -0.755 174.883 175.800 -0.270 0.000 1.088 176 F CA -0.782 57.106 58.000 -0.187 0.000 0.949 176 F CB 2.062 41.024 39.000 -0.063 0.000 1.322 176 F HN 0.553 nan 8.300 nan 0.000 0.461 177 Y N 0.939 121.389 120.300 0.250 0.000 2.432 177 Y HA 0.486 5.038 4.550 0.003 0.000 0.322 177 Y C -2.152 173.892 175.900 0.241 0.000 1.246 177 Y CA -2.303 55.929 58.100 0.220 0.000 1.268 177 Y CB 0.490 39.057 38.460 0.179 0.000 1.276 177 Y HN 0.217 nan 8.280 nan 0.000 0.499 178 P HA 0.018 nan 4.420 nan 0.000 0.269 178 P C -0.515 176.923 177.300 0.230 0.000 1.217 178 P CA -0.091 63.164 63.100 0.258 0.000 0.783 178 P CB 0.497 32.333 31.700 0.225 0.000 0.898 179 L N 1.074 122.346 121.223 0.082 0.000 2.483 179 L HA 0.085 4.427 4.340 0.003 0.000 0.275 179 L C 0.731 177.580 176.870 -0.036 0.000 1.220 179 L CA 0.893 55.733 54.840 0.000 0.000 0.833 179 L CB -0.041 41.948 42.059 -0.116 0.000 1.102 179 L HN 0.362 nan 8.230 nan 0.000 0.490 180 T N 1.278 115.814 114.554 -0.030 0.000 2.829 180 T HA 0.355 4.707 4.350 0.003 0.000 0.280 180 T C -0.451 174.178 174.700 -0.118 0.000 0.999 180 T CA -0.612 61.472 62.100 -0.028 0.000 0.983 180 T CB 0.742 69.741 68.868 0.220 0.000 0.968 180 T HN 0.343 nan 8.240 nan 0.000 0.446 181 H N 3.050 122.171 119.070 0.086 0.000 2.548 181 H HA 0.366 4.924 4.556 0.003 0.000 0.331 181 H C -0.163 175.368 175.328 0.338 0.000 1.093 181 H CA -0.193 55.979 56.048 0.207 0.000 1.367 181 H CB 0.907 30.773 29.762 0.173 0.000 1.455 181 H HN 0.601 nan 8.280 nan 0.000 0.519 182 N N 1.883 120.803 118.700 0.366 0.000 2.238 182 N HA 0.338 5.080 4.740 0.003 0.000 0.302 182 N C -1.298 174.091 175.510 -0.202 0.000 1.072 182 N CA -0.789 52.313 53.050 0.086 0.000 0.792 182 N CB 2.445 40.900 38.487 -0.052 0.000 1.425 182 N HN 0.268 nan 8.380 nan 0.000 0.478 183 L N 1.511 122.322 121.223 -0.687 0.000 2.356 183 L HA 0.518 4.859 4.340 0.003 0.000 0.277 183 L C -1.464 175.019 176.870 -0.646 0.000 0.996 183 L CA -0.370 53.932 54.840 -0.897 0.000 0.822 183 L CB 0.893 41.887 42.059 -1.774 0.000 1.256 183 L HN 0.636 nan 8.230 nan 0.000 0.413 184 H N 2.974 121.904 119.070 -0.232 0.000 2.469 184 H HA 0.668 5.226 4.556 0.003 0.000 0.342 184 H C -0.997 174.254 175.328 -0.128 0.000 1.115 184 H CA -0.473 55.494 56.048 -0.135 0.000 1.204 184 H CB 1.646 31.380 29.762 -0.047 0.000 1.492 184 H HN 0.566 nan 8.280 nan 0.000 0.499 185 Q N 1.670 121.457 119.800 -0.022 0.000 2.304 185 Q HA 0.213 4.554 4.340 0.003 0.000 0.270 185 Q C -0.926 175.057 176.000 -0.028 0.000 1.035 185 Q CA -0.846 54.929 55.803 -0.046 0.000 0.781 185 Q CB 2.122 30.802 28.738 -0.097 0.000 1.261 185 Q HN 0.698 nan 8.270 nan 0.000 0.444 186 D N 1.666 122.053 120.400 -0.022 0.000 2.723 186 D HA -0.191 4.450 4.640 0.003 0.000 0.236 186 D C 0.863 177.148 176.300 -0.025 0.000 1.138 186 D CA 1.829 55.812 54.000 -0.029 0.000 0.676 186 D CB -1.157 39.619 40.800 -0.039 0.000 1.069 186 D HN 1.090 nan 8.370 nan 0.000 0.430 187 G N -0.937 107.861 108.800 -0.004 0.000 2.189 187 G HA2 -0.334 3.628 3.960 0.003 0.000 0.267 187 G HA3 -0.334 3.628 3.960 0.003 0.000 0.267 187 G C 0.393 175.315 174.900 0.037 0.000 0.975 187 G CA 0.459 45.552 45.100 -0.011 0.000 0.644 187 G HN 0.597 nan 8.290 nan 0.000 0.537 188 I N 0.823 121.428 120.570 0.058 0.000 2.493 188 I HA 0.647 4.818 4.170 0.003 0.000 0.298 188 I C 0.253 176.420 176.117 0.084 0.000 0.998 188 I CA -1.232 60.116 61.300 0.081 0.000 1.137 188 I CB 1.406 39.410 38.000 0.008 0.000 1.310 188 I HN 0.066 nan 8.210 nan 0.000 0.445 189 L N 8.561 129.831 121.223 0.079 0.000 2.513 189 L HA 0.134 4.476 4.340 0.003 0.000 0.272 189 L C 0.965 177.733 176.870 -0.171 0.000 1.187 189 L CA 0.670 55.386 54.840 -0.207 0.000 0.895 189 L CB 0.069 42.005 42.059 -0.205 0.000 1.147 189 L HN 0.597 nan 8.230 nan 0.000 0.483 190 R N 2.341 122.701 120.500 -0.233 0.000 2.225 190 R HA 0.347 4.689 4.340 0.003 0.000 0.194 190 R C -0.161 176.081 176.300 -0.098 0.000 0.949 190 R CA 0.440 56.440 56.100 -0.166 0.000 1.088 190 R CB 0.039 30.217 30.300 -0.203 0.000 1.106 190 R HN 0.689 nan 8.270 nan 0.000 0.566 191 T N -0.065 114.400 114.554 -0.148 0.000 2.923 191 T HA 0.519 4.871 4.350 0.003 0.000 0.311 191 T C -0.835 173.934 174.700 0.114 0.000 1.183 191 T CA -0.542 61.582 62.100 0.039 0.000 1.020 191 T CB 2.714 71.682 68.868 0.167 0.000 1.165 191 T HN -0.164 nan 8.240 nan 0.000 0.482 192 S N 0.865 116.705 115.700 0.234 0.000 2.549 192 S HA 0.840 5.311 4.470 0.003 0.000 0.280 192 S C -1.073 173.638 174.600 0.184 0.000 1.109 192 S CA -0.749 57.602 58.200 0.251 0.000 0.905 192 S CB 1.849 65.152 63.200 0.171 0.000 1.081 192 S HN 0.610 nan 8.310 nan 0.000 0.477 193 V N 1.336 121.297 119.914 0.078 0.000 2.686 193 V HA 0.870 4.991 4.120 0.003 0.000 0.306 193 V C -0.507 175.345 176.094 -0.403 0.000 1.065 193 V CA -0.649 61.507 62.300 -0.240 0.000 0.894 193 V CB 1.569 33.162 31.823 -0.384 0.000 1.004 193 V HN 1.032 nan 8.190 nan 0.000 0.424 194 A N 4.115 126.452 122.820 -0.806 0.000 2.386 194 A HA 0.967 5.289 4.320 0.003 0.000 0.311 194 A C -1.354 175.722 177.584 -0.847 0.000 1.068 194 A CA -0.395 51.165 52.037 -0.795 0.000 0.743 194 A CB 1.178 19.303 19.000 -1.459 0.000 1.258 194 A HN 0.612 nan 8.150 nan 0.000 0.429 195 F N 2.040 121.846 119.950 -0.241 0.000 2.492 195 F HA 0.515 5.044 4.527 0.003 0.000 0.327 195 F C -1.232 174.509 175.800 -0.097 0.000 1.079 195 F CA -1.772 56.126 58.000 -0.170 0.000 0.967 195 F CB 2.072 40.987 39.000 -0.142 0.000 1.169 195 F HN 0.434 nan 8.300 nan 0.000 0.472 196 P HA -0.149 nan 4.420 nan 0.000 0.218 196 P C -0.283 177.089 177.300 0.119 0.000 1.149 196 P CA 1.270 64.439 63.100 0.115 0.000 0.817 196 P CB 0.352 32.119 31.700 0.111 0.000 0.785 197 Q N -0.551 119.317 119.800 0.114 0.000 2.357 197 Q HA 0.597 4.938 4.340 0.003 0.000 0.266 197 Q C -0.524 175.516 176.000 0.068 0.000 1.021 197 Q CA -0.441 55.406 55.803 0.073 0.000 0.784 197 Q CB 1.726 30.486 28.738 0.038 0.000 1.243 197 Q HN 0.047 nan 8.270 nan 0.000 0.465 198 A N 2.689 125.547 122.820 0.063 0.000 2.239 198 A HA 0.415 4.737 4.320 0.003 0.000 0.303 198 A C -0.065 177.527 177.584 0.012 0.000 1.114 198 A CA -0.655 51.413 52.037 0.053 0.000 0.871 198 A CB 0.389 19.411 19.000 0.036 0.000 1.201 198 A HN 0.778 nan 8.150 nan 0.000 0.506 199 N N 0.210 118.914 118.700 0.007 0.000 2.365 199 N HA 0.054 4.796 4.740 0.003 0.000 0.265 199 N C 1.057 176.558 175.510 -0.014 0.000 1.288 199 N CA 0.618 53.662 53.050 -0.009 0.000 0.869 199 N CB 1.043 39.531 38.487 0.000 0.000 1.071 199 N HN 0.589 nan 8.380 nan 0.000 0.480 200 A N 4.496 127.306 122.820 -0.016 0.000 1.969 200 A HA -0.158 4.164 4.320 0.003 0.000 0.218 200 A C 2.035 179.603 177.584 -0.027 0.000 1.169 200 A CA 1.138 53.164 52.037 -0.018 0.000 0.635 200 A CB -0.194 18.798 19.000 -0.014 0.000 0.810 200 A HN 0.871 nan 8.150 nan 0.000 0.445 201 Q N -0.886 118.900 119.800 -0.025 0.000 2.083 201 Q HA -0.193 4.148 4.340 0.003 0.000 0.198 201 Q C 2.294 178.270 176.000 -0.040 0.000 0.969 201 Q CA 1.539 57.325 55.803 -0.029 0.000 0.838 201 Q CB -0.153 28.573 28.738 -0.020 0.000 0.900 201 Q HN 0.781 nan 8.270 nan 0.000 0.436 202 Q N 0.333 120.111 119.800 -0.036 0.000 2.050 202 Q HA -0.253 4.088 4.340 0.003 0.000 0.202 202 Q C 2.107 178.061 176.000 -0.078 0.000 0.980 202 Q CA 1.584 57.357 55.803 -0.049 0.000 0.840 202 Q CB -0.022 28.695 28.738 -0.036 0.000 0.898 202 Q HN 0.196 nan 8.270 nan 0.000 0.424 203 Q N 0.333 120.091 119.800 -0.070 0.000 2.061 203 Q HA -0.192 4.150 4.340 0.003 0.000 0.204 203 Q C 1.832 177.748 176.000 -0.139 0.000 0.984 203 Q CA 1.990 57.734 55.803 -0.098 0.000 0.846 203 Q CB -0.429 28.274 28.738 -0.059 0.000 0.902 203 Q HN 0.392 nan 8.270 nan 0.000 0.421 204 A N 0.583 123.343 122.820 -0.100 0.000 1.877 204 A HA -0.231 4.091 4.320 0.003 0.000 0.216 204 A C 2.172 179.680 177.584 -0.126 0.000 1.186 204 A CA 1.718 53.693 52.037 -0.104 0.000 0.620 204 A CB -0.751 18.211 19.000 -0.063 0.000 0.822 204 A HN 0.452 nan 8.150 nan 0.000 0.443 205 R N -0.358 120.079 120.500 -0.106 0.000 2.080 205 R HA -0.151 4.191 4.340 0.003 0.000 0.236 205 R C 2.353 178.562 176.300 -0.152 0.000 1.137 205 R CA 1.686 57.722 56.100 -0.106 0.000 0.943 205 R CB -0.503 29.748 30.300 -0.082 0.000 0.846 205 R HN 0.432 nan 8.270 nan 0.000 0.431 206 A N 1.171 123.883 122.820 -0.181 0.000 1.883 206 A HA -0.207 4.115 4.320 0.003 0.000 0.217 206 A C 1.950 179.330 177.584 -0.341 0.000 1.186 206 A CA 1.826 53.722 52.037 -0.235 0.000 0.624 206 A CB -0.545 18.322 19.000 -0.222 0.000 0.822 206 A HN 0.568 nan 8.150 nan 0.000 0.444 207 E N -0.791 119.127 120.200 -0.469 0.000 2.110 207 E HA -0.205 4.147 4.350 0.003 0.000 0.193 207 E C 2.061 178.445 176.600 -0.361 0.000 0.988 207 E CA 1.075 57.007 56.400 -0.780 0.000 0.804 207 E CB -0.139 29.047 29.700 -0.856 0.000 0.745 207 E HN 0.799 nan 8.360 nan 0.000 0.458 208 E N 0.696 120.771 120.200 -0.209 0.000 2.107 208 E HA -0.161 4.190 4.350 0.003 0.000 0.191 208 E C 2.058 178.607 176.600 -0.084 0.000 0.982 208 E CA 0.768 57.107 56.400 -0.102 0.000 0.809 208 E CB 0.081 29.734 29.700 -0.078 0.000 0.756 208 E HN 0.259 nan 8.360 nan 0.000 0.459 209 M N 0.143 119.670 119.600 -0.121 0.000 2.156 209 M HA -0.119 4.363 4.480 0.003 0.000 0.264 209 M C 2.417 178.664 176.300 -0.090 0.000 1.067 209 M CA 0.713 55.948 55.300 -0.108 0.000 1.131 209 M CB -0.204 32.299 32.600 -0.161 0.000 1.368 209 M HN 0.156 nan 8.290 nan 0.000 0.416 210 L N 0.015 121.173 121.223 -0.108 0.000 2.093 210 L HA -0.039 4.303 4.340 0.003 0.000 0.208 210 L C 2.396 179.316 176.870 0.084 0.000 1.085 210 L CA 1.741 56.565 54.840 -0.026 0.000 0.755 210 L CB -0.673 41.381 42.059 -0.009 0.000 0.904 210 L HN 0.113 nan 8.230 nan 0.000 0.435 211 S N -0.317 115.460 115.700 0.129 0.000 2.368 211 S HA -0.159 4.313 4.470 0.003 0.000 0.225 211 S C 2.089 176.739 174.600 0.083 0.000 1.030 211 S CA 1.130 59.436 58.200 0.177 0.000 0.999 211 S CB -0.480 62.812 63.200 0.152 0.000 0.844 211 S HN 0.673 nan 8.310 nan 0.000 0.459 212 A N 1.147 123.993 122.820 0.043 0.000 1.902 212 A HA -0.028 4.294 4.320 0.003 0.000 0.217 212 A C 2.068 179.670 177.584 0.030 0.000 1.181 212 A CA 1.167 53.222 52.037 0.031 0.000 0.623 212 A CB -0.627 18.383 19.000 0.016 0.000 0.818 212 A HN 0.488 nan 8.150 nan 0.000 0.443 213 I N -0.657 119.925 120.570 0.021 0.000 2.202 213 I HA -0.280 3.892 4.170 0.003 0.000 0.242 213 I C 2.665 178.788 176.117 0.009 0.000 1.091 213 I CA 1.453 62.763 61.300 0.017 0.000 1.368 213 I CB -0.253 37.748 38.000 0.003 0.000 1.058 213 I HN 0.341 nan 8.210 nan 0.000 0.410 214 M N -0.363 119.250 119.600 0.023 0.000 2.213 214 M HA -0.238 4.243 4.480 0.003 0.000 0.263 214 M C 2.304 178.643 176.300 0.065 0.000 1.062 214 M CA 1.570 56.903 55.300 0.054 0.000 1.105 214 M CB -0.408 32.248 32.600 0.094 0.000 1.385 214 M HN 0.207 nan 8.290 nan 0.000 0.417 215 Q N 1.184 121.013 119.800 0.050 0.000 2.049 215 Q HA -0.198 4.143 4.340 0.003 0.000 0.198 215 Q C 1.744 177.764 176.000 0.033 0.000 0.971 215 Q CA 1.930 57.758 55.803 0.041 0.000 0.833 215 Q CB -0.180 28.581 28.738 0.038 0.000 0.896 215 Q HN 0.404 nan 8.270 nan 0.000 0.434 216 E N 0.046 120.263 120.200 0.028 0.000 2.085 216 E HA -0.156 4.196 4.350 0.003 0.000 0.194 216 E C 1.585 178.193 176.600 0.013 0.000 0.994 216 E CA 1.618 58.030 56.400 0.020 0.000 0.801 216 E CB -0.369 29.341 29.700 0.017 0.000 0.743 216 E HN 0.543 nan 8.360 nan 0.000 0.453 217 L N -1.016 120.216 121.223 0.015 0.000 2.492 217 L HA 0.216 4.558 4.340 0.003 0.000 0.223 217 L C 1.436 178.325 176.870 0.032 0.000 1.132 217 L CA 0.333 55.180 54.840 0.012 0.000 0.850 217 L CB -0.223 41.840 42.059 0.008 0.000 0.966 217 L HN 0.444 nan 8.230 nan 0.000 0.454 218 G N -0.286 108.539 108.800 0.042 0.000 2.198 218 G HA2 -0.364 3.598 3.960 0.003 0.000 0.260 218 G HA3 -0.364 3.598 3.960 0.003 0.000 0.260 218 G C 0.047 174.965 174.900 0.031 0.000 1.025 218 G CA -0.074 45.045 45.100 0.032 0.000 0.769 218 G HN 0.324 nan 8.290 nan 0.000 0.507 219 Y N -0.142 120.105 120.300 -0.088 0.000 2.411 219 Y HA 0.449 5.001 4.550 0.003 0.000 0.333 219 Y C 0.326 176.132 175.900 -0.157 0.000 1.186 219 Y CA -0.011 58.014 58.100 -0.125 0.000 1.381 219 Y CB 1.091 39.484 38.460 -0.112 0.000 1.273 219 Y HN 0.173 nan 8.280 nan 0.000 0.546 220 V N 5.843 125.265 119.914 -0.821 0.000 2.525 220 V HA 0.806 4.928 4.120 0.003 0.000 0.299 220 V C 0.089 175.677 176.094 -0.844 0.000 1.034 220 V CA 0.098 61.958 62.300 -0.733 0.000 0.863 220 V CB 0.892 32.153 31.823 -0.935 0.000 0.999 220 V HN 1.175 nan 8.190 nan 0.000 0.423 221 G N 3.523 112.035 108.800 -0.480 0.000 2.334 221 G HA2 0.147 4.109 3.960 0.003 0.000 0.315 221 G HA3 0.147 4.109 3.960 0.003 0.000 0.315 221 G C -1.300 173.736 174.900 0.226 0.000 1.284 221 G CA -0.443 44.527 45.100 -0.216 0.000 0.985 221 G HN 0.637 nan 8.290 nan 0.000 0.504 222 V N 1.103 121.334 119.914 0.528 0.000 2.607 222 V HA 0.709 4.831 4.120 0.003 0.000 0.289 222 V C 0.676 176.970 176.094 0.333 0.000 1.053 222 V CA 0.256 62.745 62.300 0.315 0.000 0.996 222 V CB 1.414 33.330 31.823 0.156 0.000 0.995 222 V HN 0.930 nan 8.190 nan 0.000 0.476 223 M N 4.249 123.939 119.600 0.150 0.000 2.501 223 M HA 0.802 5.284 4.480 0.003 0.000 0.293 223 M C -1.047 175.219 176.300 -0.057 0.000 1.192 223 M CA -0.509 54.754 55.300 -0.062 0.000 0.886 223 M CB 2.127 34.527 32.600 -0.332 0.000 1.710 223 M HN 0.682 nan 8.290 nan 0.000 0.457 224 A N 4.773 127.517 122.820 -0.128 0.000 2.342 224 A HA 0.797 5.119 4.320 0.003 0.000 0.323 224 A C -1.315 176.122 177.584 -0.246 0.000 1.125 224 A CA -0.765 51.157 52.037 -0.193 0.000 0.785 224 A CB 1.472 20.258 19.000 -0.357 0.000 1.221 224 A HN 0.976 nan 8.150 nan 0.000 0.463 225 M N 2.673 122.138 119.600 -0.225 0.000 2.085 225 M HA 0.352 4.834 4.480 0.003 0.000 0.309 225 M C -0.932 175.197 176.300 -0.285 0.000 0.947 225 M CA -0.067 55.086 55.300 -0.244 0.000 0.918 225 M CB 0.987 33.459 32.600 -0.213 0.000 1.504 225 M HN 0.781 nan 8.290 nan 0.000 0.420 226 E N 3.542 123.545 120.200 -0.328 0.000 2.249 226 E HA 0.446 4.797 4.350 0.003 0.000 0.280 226 E C -1.134 175.215 176.600 -0.417 0.000 1.016 226 E CA -0.490 55.715 56.400 -0.325 0.000 0.830 226 E CB 1.618 31.132 29.700 -0.311 0.000 1.081 226 E HN 0.714 nan 8.360 nan 0.000 0.395 227 C N 2.131 121.203 119.300 -0.379 0.000 3.044 227 C HA 0.571 5.032 4.460 0.003 0.000 0.315 227 C C -1.041 173.742 174.990 -0.344 0.000 1.320 227 C CA -0.890 57.866 59.018 -0.437 0.000 1.582 227 C CB 0.791 28.372 27.740 -0.265 0.000 2.039 227 C HN 0.598 nan 8.230 nan 0.000 0.466 228 F N 0.957 120.790 119.950 -0.195 0.000 2.469 228 F HA 0.565 5.094 4.527 0.003 0.000 0.332 228 F C 0.135 175.904 175.800 -0.052 0.000 1.103 228 F CA -1.177 56.697 58.000 -0.209 0.000 0.979 228 F CB 1.104 40.038 39.000 -0.110 0.000 1.137 228 F HN 0.149 nan 8.300 nan 0.000 0.463 229 V N 2.861 122.897 119.914 0.205 0.000 2.406 229 V HA 0.563 4.684 4.120 0.003 0.000 0.272 229 V C 0.159 176.370 176.094 0.195 0.000 1.043 229 V CA -0.317 62.080 62.300 0.162 0.000 0.915 229 V CB 0.983 32.900 31.823 0.156 0.000 0.988 229 V HN 0.933 nan 8.190 nan 0.000 0.466 230 T N 2.593 117.232 114.554 0.141 0.000 2.838 230 T HA 0.510 4.861 4.350 0.003 0.000 0.292 230 T C -2.296 172.453 174.700 0.082 0.000 1.113 230 T CA -1.913 60.263 62.100 0.127 0.000 1.008 230 T CB 2.058 71.002 68.868 0.126 0.000 1.259 230 T HN 0.266 nan 8.240 nan 0.000 0.520 231 P HA -0.051 nan 4.420 nan 0.000 0.219 231 P C 1.291 178.614 177.300 0.038 0.000 1.146 231 P CA 0.968 64.095 63.100 0.046 0.000 0.808 231 P CB 0.082 31.805 31.700 0.038 0.000 0.779 232 Q N -1.241 118.585 119.800 0.044 0.000 2.425 232 Q HA 0.292 4.634 4.340 0.003 0.000 0.204 232 Q C 1.290 177.307 176.000 0.029 0.000 0.933 232 Q CA 0.762 56.586 55.803 0.035 0.000 0.939 232 Q CB -0.001 28.762 28.738 0.040 0.000 1.044 232 Q HN 0.210 nan 8.270 nan 0.000 0.513 233 G N -0.231 108.590 108.800 0.034 0.000 2.298 233 G HA2 -0.062 3.900 3.960 0.003 0.000 0.309 233 G HA3 -0.062 3.900 3.960 0.003 0.000 0.309 233 G C -1.483 173.434 174.900 0.028 0.000 1.279 233 G CA -1.012 44.100 45.100 0.019 0.000 1.042 233 G HN 0.059 nan 8.290 nan 0.000 0.480 234 L N 0.093 121.313 121.223 -0.005 0.000 2.349 234 L HA 0.630 4.972 4.340 0.003 0.000 0.275 234 L C -0.186 176.659 176.870 -0.042 0.000 1.115 234 L CA -0.644 54.181 54.840 -0.025 0.000 0.820 234 L CB 1.049 43.058 42.059 -0.083 0.000 1.135 234 L HN 0.416 nan 8.230 nan 0.000 0.445 235 L N 3.736 124.940 121.223 -0.032 0.000 2.346 235 L HA 0.488 4.830 4.340 0.003 0.000 0.274 235 L C -0.112 176.606 176.870 -0.254 0.000 1.007 235 L CA -0.168 54.630 54.840 -0.070 0.000 0.818 235 L CB 1.870 43.975 42.059 0.077 0.000 1.284 235 L HN 0.333 nan 8.230 nan 0.000 0.424 236 I N 2.558 122.897 120.570 -0.386 0.000 2.416 236 I HA 0.129 4.301 4.170 0.003 0.000 0.288 236 I C 1.018 176.786 176.117 -0.581 0.000 1.051 236 I CA -0.086 60.857 61.300 -0.595 0.000 1.375 236 I CB 0.693 38.109 38.000 -0.973 0.000 1.407 236 I HN 0.682 nan 8.210 nan 0.000 0.516 237 N N 5.547 123.823 118.700 -0.706 0.000 2.176 237 N HA -0.046 4.695 4.740 0.003 0.000 0.187 237 N C -0.028 175.314 175.510 -0.281 0.000 1.043 237 N CA 1.085 53.705 53.050 -0.716 0.000 0.851 237 N CB 0.426 38.162 38.487 -1.251 0.000 1.018 237 N HN 0.788 nan 8.380 nan 0.000 0.436 238 E N -1.318 118.734 120.200 -0.246 0.000 2.429 238 E HA 0.368 4.719 4.350 0.003 0.000 0.280 238 E C -1.470 175.083 176.600 -0.078 0.000 1.068 238 E CA -0.840 55.532 56.400 -0.048 0.000 0.837 238 E CB 0.941 30.593 29.700 -0.080 0.000 1.357 238 E HN 0.040 nan 8.360 nan 0.000 0.455 239 L N 0.367 121.585 121.223 -0.007 0.000 2.322 239 L HA 0.878 5.220 4.340 0.003 0.000 0.269 239 L C -0.650 176.166 176.870 -0.090 0.000 1.012 239 L CA -1.277 53.517 54.840 -0.078 0.000 0.815 239 L CB 1.915 43.950 42.059 -0.041 0.000 1.295 239 L HN 0.792 nan 8.230 nan 0.000 0.438 240 A N 2.074 124.826 122.820 -0.113 0.000 2.375 240 A HA 0.613 4.934 4.320 0.003 0.000 0.291 240 A C -2.510 175.045 177.584 -0.047 0.000 1.160 240 A CA -1.248 50.775 52.037 -0.023 0.000 0.747 240 A CB 0.952 19.991 19.000 0.065 0.000 1.170 240 A HN 0.397 nan 8.150 nan 0.000 0.458 241 P HA 0.253 nan 4.420 nan 0.000 0.220 241 P C -0.538 176.928 177.300 0.277 0.000 1.806 241 P CA 0.187 63.292 63.100 0.007 0.000 0.976 241 P CB -0.747 31.007 31.700 0.089 0.000 1.952 242 R N -1.487 119.099 120.500 0.143 0.000 3.110 242 R HA 0.299 4.641 4.340 0.003 0.000 0.287 242 R C -0.728 175.546 176.300 -0.044 0.000 0.969 242 R CA -1.075 55.051 56.100 0.043 0.000 0.828 242 R CB -0.350 29.989 30.300 0.064 0.000 1.354 242 R HN -0.132 nan 8.270 nan 0.000 0.524 243 V N -1.003 118.804 119.914 -0.178 0.000 3.032 243 V HA 0.252 4.373 4.120 0.003 0.000 0.307 243 V C 0.137 176.191 176.094 -0.066 0.000 1.097 243 V CA 0.330 62.500 62.300 -0.217 0.000 1.191 243 V CB 0.352 31.926 31.823 -0.415 0.000 0.964 243 V HN 0.767 nan 8.190 nan 0.000 0.494 244 H N 2.342 121.281 119.070 -0.217 0.000 2.895 244 H HA 0.301 4.859 4.556 0.003 0.000 0.373 244 H C 0.774 175.894 175.328 -0.347 0.000 1.174 244 H CA -0.087 55.849 56.048 -0.188 0.000 1.144 244 H CB 2.256 31.923 29.762 -0.158 0.000 1.793 244 H HN 0.908 nan 8.280 nan 0.000 0.551 245 N N 0.839 118.985 118.700 -0.922 0.000 2.137 245 N HA -0.231 4.511 4.740 0.003 0.000 0.190 245 N C 1.574 176.623 175.510 -0.769 0.000 1.017 245 N CA 1.850 54.262 53.050 -1.064 0.000 0.859 245 N CB 0.172 38.262 38.487 -0.662 0.000 1.002 245 N HN 0.569 nan 8.380 nan 0.000 0.428 246 S N -1.153 114.386 115.700 -0.269 0.000 2.447 246 S HA -0.018 4.453 4.470 0.003 0.000 0.233 246 S C 1.731 176.312 174.600 -0.031 0.000 1.006 246 S CA 0.892 59.090 58.200 -0.003 0.000 0.957 246 S CB -0.229 63.105 63.200 0.222 0.000 0.773 246 S HN 0.382 nan 8.310 nan 0.000 0.507 247 G N -0.099 108.560 108.800 -0.235 0.000 3.141 247 G HA2 0.138 4.100 3.960 0.003 0.000 0.218 247 G HA3 0.138 4.100 3.960 0.003 0.000 0.218 247 G C 0.819 175.381 174.900 -0.563 0.000 1.170 247 G CA -0.251 44.533 45.100 -0.526 0.000 0.769 247 G HN 0.490 nan 8.290 nan 0.000 0.546 248 H N 0.463 119.307 119.070 -0.377 0.000 2.456 248 H HA -0.104 4.454 4.556 0.003 0.000 0.296 248 H C 2.311 177.499 175.328 -0.233 0.000 1.079 248 H CA 0.665 56.512 56.048 -0.335 0.000 1.322 248 H CB -0.346 29.043 29.762 -0.621 0.000 1.388 248 H HN 0.849 nan 8.280 nan 0.000 0.538 249 W N 1.934 123.216 121.300 -0.031 0.000 2.387 249 W HA -0.180 4.481 4.660 0.003 0.000 0.272 249 W C 1.230 177.725 176.519 -0.040 0.000 1.224 249 W CA 1.444 58.786 57.345 -0.005 0.000 1.210 249 W CB -1.273 28.175 29.460 -0.020 0.000 1.125 249 W HN 0.205 nan 8.180 nan 0.000 0.572 250 T N -0.905 113.187 114.554 -0.771 0.000 2.977 250 T HA -0.217 4.134 4.350 0.003 0.000 0.271 250 T C 1.678 176.249 174.700 -0.214 0.000 1.105 250 T CA 1.621 63.240 62.100 -0.800 0.000 1.116 250 T CB -0.534 67.510 68.868 -1.373 0.000 0.878 250 T HN 0.346 nan 8.240 nan 0.000 0.509 251 Q N 1.154 120.908 119.800 -0.078 0.000 2.124 251 Q HA -0.051 4.291 4.340 0.003 0.000 0.202 251 Q C 1.540 177.565 176.000 0.041 0.000 0.977 251 Q CA 1.773 57.594 55.803 0.030 0.000 0.850 251 Q CB -0.143 28.596 28.738 0.002 0.000 0.901 251 Q HN 0.710 nan 8.270 nan 0.000 0.429 252 N N -2.058 116.678 118.700 0.060 0.000 2.181 252 N HA 0.091 4.832 4.740 0.003 0.000 0.207 252 N C 0.747 176.321 175.510 0.107 0.000 1.182 252 N CA 0.353 53.397 53.050 -0.010 0.000 0.893 252 N CB 1.148 39.494 38.487 -0.235 0.000 1.032 252 N HN 0.125 nan 8.380 nan 0.000 0.513 253 G N -0.720 108.228 108.800 0.247 0.000 3.277 253 G HA2 0.612 4.573 3.960 0.003 0.000 0.243 253 G HA3 0.612 4.573 3.960 0.003 0.000 0.243 253 G C -0.116 175.041 174.900 0.429 0.000 1.107 253 G CA -0.027 45.298 45.100 0.375 0.000 0.771 253 G HN 0.282 nan 8.290 nan 0.000 0.544 254 A N -0.087 122.892 122.820 0.265 0.000 2.498 254 A HA 0.652 4.974 4.320 0.003 0.000 0.298 254 A C 1.214 178.902 177.584 0.174 0.000 1.075 254 A CA 0.381 52.577 52.037 0.266 0.000 0.714 254 A CB 1.072 20.242 19.000 0.283 0.000 1.299 254 A HN 0.541 nan 8.150 nan 0.000 0.407 255 S N 0.374 116.170 115.700 0.160 0.000 2.474 255 S HA 0.122 4.594 4.470 0.003 0.000 0.235 255 S C 0.433 175.090 174.600 0.095 0.000 0.997 255 S CA 1.034 59.299 58.200 0.108 0.000 0.949 255 S CB -0.516 62.736 63.200 0.087 0.000 0.766 255 S HN 0.541 nan 8.310 nan 0.000 0.517 256 I N 2.144 122.786 120.570 0.120 0.000 2.512 256 I HA 0.305 4.476 4.170 0.003 0.000 0.287 256 I C -0.043 176.168 176.117 0.156 0.000 1.069 256 I CA -0.689 60.675 61.300 0.108 0.000 1.056 256 I CB 2.340 40.380 38.000 0.067 0.000 1.229 256 I HN 0.203 nan 8.210 nan 0.000 0.429 257 S N 4.217 119.975 115.700 0.098 0.000 2.614 257 S HA 0.134 4.606 4.470 0.003 0.000 0.265 257 S C 1.079 175.690 174.600 0.018 0.000 1.303 257 S CA -0.386 57.826 58.200 0.020 0.000 1.000 257 S CB 1.321 64.575 63.200 0.091 0.000 0.935 257 S HN 0.796 nan 8.310 nan 0.000 0.551 258 Q N 0.463 120.113 119.800 -0.249 0.000 2.181 258 Q HA -0.153 4.189 4.340 0.003 0.000 0.205 258 Q C 1.252 177.097 176.000 -0.259 0.000 0.980 258 Q CA 1.624 57.265 55.803 -0.271 0.000 0.862 258 Q CB -0.716 27.660 28.738 -0.603 0.000 0.905 258 Q HN 0.758 nan 8.270 nan 0.000 0.429 259 F N 1.642 121.587 119.950 -0.008 0.000 2.113 259 F HA -0.036 4.493 4.527 0.003 0.000 0.297 259 F C 2.191 178.024 175.800 0.054 0.000 1.103 259 F CA 1.443 59.455 58.000 0.020 0.000 1.248 259 F CB -0.200 38.782 39.000 -0.031 0.000 0.999 259 F HN 0.089 nan 8.300 nan 0.000 0.475 260 E N 0.014 120.331 120.200 0.195 0.000 2.106 260 E HA -0.177 4.174 4.350 0.003 0.000 0.192 260 E C 2.098 178.748 176.600 0.083 0.000 0.984 260 E CA 0.815 57.286 56.400 0.119 0.000 0.806 260 E CB -0.344 29.410 29.700 0.090 0.000 0.750 260 E HN 0.197 nan 8.360 nan 0.000 0.458 261 L N 0.665 121.937 121.223 0.082 0.000 2.046 261 L HA -0.203 4.138 4.340 0.003 0.000 0.208 261 L C 2.318 179.209 176.870 0.034 0.000 1.077 261 L CA 1.950 56.816 54.840 0.043 0.000 0.747 261 L CB -0.509 41.584 42.059 0.056 0.000 0.896 261 L HN 0.162 nan 8.230 nan 0.000 0.432 262 H N -1.002 118.063 119.070 -0.008 0.000 2.353 262 H HA -0.148 4.409 4.556 0.003 0.000 0.300 262 H C 2.075 177.404 175.328 0.001 0.000 1.090 262 H CA 2.225 58.268 56.048 -0.008 0.000 1.327 262 H CB -0.159 29.612 29.762 0.015 0.000 1.383 262 H HN 0.350 nan 8.280 nan 0.000 0.508 263 L N -0.362 120.859 121.223 -0.003 0.000 2.046 263 L HA -0.144 4.198 4.340 0.003 0.000 0.208 263 L C 2.736 179.563 176.870 -0.072 0.000 1.077 263 L CA 1.460 56.271 54.840 -0.047 0.000 0.747 263 L CB -0.358 41.719 42.059 0.031 0.000 0.896 263 L HN 0.232 nan 8.230 nan 0.000 0.432 264 R N 0.053 120.526 120.500 -0.045 0.000 2.073 264 R HA -0.144 4.198 4.340 0.003 0.000 0.234 264 R C 2.498 178.757 176.300 -0.068 0.000 1.134 264 R CA 1.400 57.477 56.100 -0.038 0.000 0.952 264 R CB -0.594 29.689 30.300 -0.029 0.000 0.850 264 R HN 0.362 nan 8.270 nan 0.000 0.433 265 A N 1.852 124.587 122.820 -0.142 0.000 1.865 265 A HA -0.179 4.143 4.320 0.003 0.000 0.217 265 A C 2.215 179.638 177.584 -0.268 0.000 1.191 265 A CA 1.831 53.733 52.037 -0.225 0.000 0.623 265 A CB -0.780 18.044 19.000 -0.293 0.000 0.826 265 A HN 0.513 nan 8.150 nan 0.000 0.444 266 I N -2.170 118.224 120.570 -0.294 0.000 2.830 266 I HA -0.045 4.127 4.170 0.003 0.000 0.263 266 I C 1.634 177.844 176.117 0.155 0.000 1.230 266 I CA 1.801 63.005 61.300 -0.161 0.000 1.480 266 I CB -0.451 37.398 38.000 -0.253 0.000 1.095 266 I HN 0.313 nan 8.210 nan 0.000 0.455 267 T N -3.552 111.061 114.554 0.098 0.000 3.092 267 T HA 0.152 4.503 4.350 0.003 0.000 0.258 267 T C 0.641 175.426 174.700 0.141 0.000 1.031 267 T CA 0.193 62.362 62.100 0.115 0.000 0.925 267 T CB -0.273 68.624 68.868 0.047 0.000 1.036 267 T HN 0.391 nan 8.240 nan 0.000 0.544 268 D N 0.398 120.943 120.400 0.240 0.000 2.746 268 D HA -0.125 4.517 4.640 0.003 0.000 0.236 268 D C -0.307 176.046 176.300 0.088 0.000 1.129 268 D CA 0.293 54.425 54.000 0.220 0.000 0.691 268 D CB -1.768 39.127 40.800 0.159 0.000 1.077 268 D HN 0.560 nan 8.370 nan 0.000 0.432 269 L N -0.575 120.679 121.223 0.052 0.000 2.416 269 L HA 0.558 4.899 4.340 0.003 0.000 0.263 269 L C -1.468 175.409 176.870 0.011 0.000 1.065 269 L CA -1.981 52.873 54.840 0.023 0.000 0.798 269 L CB 0.378 42.444 42.059 0.012 0.000 1.267 269 L HN -0.114 nan 8.230 nan 0.000 0.467 270 P HA 0.002 nan 4.420 nan 0.000 0.265 270 P C -0.720 176.567 177.300 -0.023 0.000 1.193 270 P CA 0.104 63.199 63.100 -0.007 0.000 0.765 270 P CB 0.425 32.123 31.700 -0.004 0.000 0.823 271 L N 5.642 126.843 121.223 -0.037 0.000 2.732 271 L HA 0.382 4.723 4.340 0.003 0.000 0.246 271 L C -2.175 174.650 176.870 -0.076 0.000 1.407 271 L CA -1.739 53.062 54.840 -0.065 0.000 0.861 271 L CB 0.302 42.311 42.059 -0.083 0.000 1.161 271 L HN 0.263 nan 8.230 nan 0.000 0.510 272 P HA 0.122 nan 4.420 nan 0.000 0.274 272 P C -0.880 176.366 177.300 -0.090 0.000 1.256 272 P CA -0.475 62.590 63.100 -0.059 0.000 0.795 272 P CB 0.659 32.340 31.700 -0.033 0.000 1.038 273 Q N 1.361 121.110 119.800 -0.084 0.000 2.311 273 Q HA 0.233 4.575 4.340 0.003 0.000 0.272 273 Q C -2.267 173.674 176.000 -0.099 0.000 1.012 273 Q CA -1.252 54.482 55.803 -0.114 0.000 0.891 273 Q CB -0.615 28.085 28.738 -0.063 0.000 1.201 273 Q HN 0.241 nan 8.270 nan 0.000 0.391 274 P HA 0.065 nan 4.420 nan 0.000 0.271 274 P C -1.218 176.092 177.300 0.018 0.000 1.218 274 P CA -0.331 62.725 63.100 -0.072 0.000 0.780 274 P CB 0.823 32.419 31.700 -0.172 0.000 0.901 275 V N 3.916 123.876 119.914 0.076 0.000 2.432 275 V HA 0.217 4.339 4.120 0.003 0.000 0.275 275 V C 0.124 176.318 176.094 0.167 0.000 1.043 275 V CA -0.184 62.176 62.300 0.101 0.000 0.925 275 V CB 1.390 33.264 31.823 0.085 0.000 0.985 275 V HN 0.214 nan 8.190 nan 0.000 0.466 276 V N 5.437 125.463 119.914 0.187 0.000 2.443 276 V HA 0.448 4.570 4.120 0.003 0.000 0.293 276 V C 0.256 176.451 176.094 0.168 0.000 1.021 276 V CA -0.527 61.921 62.300 0.246 0.000 0.848 276 V CB 1.587 33.624 31.823 0.357 0.000 0.998 276 V HN 0.854 nan 8.190 nan 0.000 0.424 277 N N 2.456 121.244 118.700 0.146 0.000 2.463 277 N HA 0.167 4.909 4.740 0.003 0.000 0.183 277 N C 0.277 175.849 175.510 0.103 0.000 1.064 277 N CA 0.323 53.439 53.050 0.111 0.000 0.879 277 N CB 0.495 39.040 38.487 0.098 0.000 1.148 277 N HN 0.560 nan 8.380 nan 0.000 0.451 278 N N 0.474 119.235 118.700 0.102 0.000 2.545 278 N HA 0.488 5.229 4.740 0.003 0.000 0.289 278 N C -2.693 172.835 175.510 0.029 0.000 1.279 278 N CA -1.208 51.894 53.050 0.087 0.000 0.824 278 N CB 1.114 39.655 38.487 0.090 0.000 1.395 278 N HN -0.126 nan 8.380 nan 0.000 0.526 279 P HA 0.413 nan 4.420 nan 0.000 0.278 279 P C -0.774 176.434 177.300 -0.152 0.000 1.258 279 P CA -0.228 62.773 63.100 -0.165 0.000 0.811 279 P CB 0.866 32.542 31.700 -0.040 0.000 1.063 280 S N -0.493 115.002 115.700 -0.342 0.000 2.588 280 S HA 0.641 5.112 4.470 0.003 0.000 0.275 280 S C -1.092 173.386 174.600 -0.203 0.000 1.130 280 S CA -0.526 57.567 58.200 -0.178 0.000 0.855 280 S CB 1.421 64.525 63.200 -0.159 0.000 1.116 280 S HN 0.134 nan 8.310 nan 0.000 0.472 281 V N 2.756 122.665 119.914 -0.009 0.000 2.789 281 V HA 0.608 4.730 4.120 0.003 0.000 0.311 281 V C -0.665 175.510 176.094 0.136 0.000 1.073 281 V CA -0.582 61.742 62.300 0.040 0.000 0.921 281 V CB 1.996 33.875 31.823 0.094 0.000 1.009 281 V HN 0.889 nan 8.190 nan 0.000 0.426 282 M N 5.219 124.919 119.600 0.166 0.000 2.326 282 M HA 0.658 5.139 4.480 0.003 0.000 0.306 282 M C -1.987 174.423 176.300 0.183 0.000 1.054 282 M CA -0.521 54.910 55.300 0.219 0.000 0.922 282 M CB 1.673 34.412 32.600 0.230 0.000 1.632 282 M HN 0.599 nan 8.290 nan 0.000 0.436 283 I N 4.365 125.041 120.570 0.177 0.000 2.389 283 I HA 0.310 4.482 4.170 0.003 0.000 0.288 283 I C -0.328 175.894 176.117 0.175 0.000 0.999 283 I CA -0.800 60.590 61.300 0.149 0.000 1.129 283 I CB 1.630 39.683 38.000 0.088 0.000 1.288 283 I HN 0.639 nan 8.210 nan 0.000 0.444 284 N N 6.331 125.128 118.700 0.161 0.000 2.530 284 N HA 0.412 5.154 4.740 0.003 0.000 0.273 284 N C -0.901 174.751 175.510 0.237 0.000 1.173 284 N CA -0.051 53.104 53.050 0.174 0.000 0.967 284 N CB 1.046 39.587 38.487 0.091 0.000 1.109 284 N HN 0.418 nan 8.380 nan 0.000 0.453 285 L N 3.430 124.764 121.223 0.185 0.000 2.287 285 L HA 0.540 4.882 4.340 0.003 0.000 0.287 285 L C -0.218 176.759 176.870 0.179 0.000 1.022 285 L CA -0.455 54.535 54.840 0.249 0.000 0.814 285 L CB 0.911 43.044 42.059 0.123 0.000 1.217 285 L HN 0.335 nan 8.230 nan 0.000 0.420 286 I N 2.463 123.175 120.570 0.236 0.000 2.468 286 I HA 0.360 4.532 4.170 0.003 0.000 0.285 286 I C 0.914 177.121 176.117 0.150 0.000 1.039 286 I CA -0.273 61.098 61.300 0.117 0.000 1.074 286 I CB 1.933 39.941 38.000 0.012 0.000 1.228 286 I HN 0.803 nan 8.210 nan 0.000 0.436 287 G N 3.811 112.684 108.800 0.122 0.000 2.212 287 G HA2 -0.262 3.700 3.960 0.003 0.000 0.267 287 G HA3 -0.262 3.700 3.960 0.003 0.000 0.267 287 G C 0.138 175.149 174.900 0.186 0.000 1.002 287 G CA 0.579 45.755 45.100 0.128 0.000 0.729 287 G HN 0.539 nan 8.290 nan 0.000 0.517 288 S N 0.188 116.048 115.700 0.267 0.000 2.549 288 S HA 0.581 5.053 4.470 0.003 0.000 0.297 288 S C -0.286 174.525 174.600 0.352 0.000 1.115 288 S CA -0.854 57.529 58.200 0.304 0.000 1.059 288 S CB 1.845 65.269 63.200 0.373 0.000 1.046 288 S HN 0.278 nan 8.310 nan 0.000 0.506 289 D N 1.186 121.712 120.400 0.209 0.000 2.312 289 D HA 0.191 4.833 4.640 0.003 0.000 0.248 289 D C 0.007 176.226 176.300 -0.136 0.000 1.086 289 D CA -0.326 53.733 54.000 0.098 0.000 0.948 289 D CB 1.350 42.124 40.800 -0.042 0.000 1.162 289 D HN 0.252 nan 8.370 nan 0.000 0.446 290 V N 2.188 121.719 119.914 -0.639 0.000 2.673 290 V HA -0.005 4.117 4.120 0.003 0.000 0.303 290 V C -0.141 175.244 176.094 -1.182 0.000 1.046 290 V CA 0.186 61.794 62.300 -1.154 0.000 1.126 290 V CB 0.699 31.384 31.823 -1.897 0.000 0.934 290 V HN 0.472 nan 8.190 nan 0.000 0.487 291 N N 5.286 122.862 118.700 -1.874 0.000 2.573 291 N HA 0.299 5.040 4.740 0.003 0.000 0.262 291 N C -0.097 174.487 175.510 -1.543 0.000 1.029 291 N CA -0.371 51.657 53.050 -1.703 0.000 0.882 291 N CB 0.628 38.135 38.487 -1.633 0.000 1.204 291 N HN 0.636 nan 8.380 nan 0.000 0.519 292 Y N 0.728 120.598 120.300 -0.717 0.000 2.651 292 Y HA -0.090 4.461 4.550 0.003 0.000 0.296 292 Y C 1.133 176.836 175.900 -0.327 0.000 1.150 292 Y CA 0.218 58.055 58.100 -0.438 0.000 1.348 292 Y CB 0.321 38.600 38.460 -0.301 0.000 0.983 292 Y HN 0.492 nan 8.280 nan 0.000 0.555 293 D N -0.788 119.419 120.400 -0.322 0.000 2.218 293 D HA -0.181 4.460 4.640 0.003 0.000 0.204 293 D C 1.573 177.853 176.300 -0.034 0.000 0.976 293 D CA 0.944 54.842 54.000 -0.170 0.000 0.853 293 D CB -0.293 40.384 40.800 -0.204 0.000 0.939 293 D HN 0.370 nan 8.370 nan 0.000 0.481 294 W N 0.755 122.019 121.300 -0.061 0.000 2.364 294 W HA -0.037 4.624 4.660 0.002 0.000 0.281 294 W C 1.715 178.211 176.519 -0.039 0.000 1.219 294 W CA 0.288 57.596 57.345 -0.061 0.000 1.220 294 W CB -1.041 28.367 29.460 -0.087 0.000 1.127 294 W HN 0.093 nan 8.180 nan 0.000 0.556 295 L N 0.490 121.822 121.223 0.183 0.000 2.650 295 L HA -0.054 4.287 4.340 0.003 0.000 0.235 295 L C 1.911 178.807 176.870 0.043 0.000 1.149 295 L CA 0.633 55.533 54.840 0.100 0.000 0.887 295 L CB -0.635 41.474 42.059 0.083 0.000 1.021 295 L HN -0.063 nan 8.230 nan 0.000 0.441 296 K N 0.354 120.781 120.400 0.045 0.000 2.288 296 K HA 0.056 4.377 4.320 0.003 0.000 0.201 296 K C 0.517 177.124 176.600 0.012 0.000 1.048 296 K CA 0.527 56.823 56.287 0.016 0.000 0.956 296 K CB 0.143 32.650 32.500 0.012 0.000 0.746 296 K HN 0.288 nan 8.250 nan 0.000 0.461 297 L N 3.501 124.739 121.223 0.024 0.000 2.261 297 L HA 0.131 4.473 4.340 0.003 0.000 0.289 297 L C -1.342 175.516 176.870 -0.020 0.000 1.059 297 L CA -1.565 53.279 54.840 0.005 0.000 0.816 297 L CB 0.864 42.934 42.059 0.019 0.000 1.191 297 L HN -0.063 nan 8.230 nan 0.000 0.431 298 P HA -0.166 nan 4.420 nan 0.000 0.219 298 P C 1.376 178.617 177.300 -0.099 0.000 1.146 298 P CA 1.161 64.228 63.100 -0.054 0.000 0.808 298 P CB 0.439 32.118 31.700 -0.034 0.000 0.779 299 L N -0.674 120.502 121.223 -0.078 0.000 2.376 299 L HA 0.000 4.342 4.340 0.003 0.000 0.219 299 L C 0.937 177.705 176.870 -0.169 0.000 1.133 299 L CA 0.230 55.015 54.840 -0.092 0.000 0.816 299 L CB -0.543 41.500 42.059 -0.026 0.000 0.933 299 L HN -0.217 nan 8.230 nan 0.000 0.449 300 V N 1.056 120.888 119.914 -0.136 0.000 2.450 300 V HA -0.043 4.079 4.120 0.003 0.000 0.281 300 V C 0.160 176.132 176.094 -0.204 0.000 1.019 300 V CA -0.011 62.232 62.300 -0.095 0.000 1.062 300 V CB -0.101 31.719 31.823 -0.005 0.000 0.979 300 V HN 0.161 nan 8.190 nan 0.000 0.477 301 H N 5.038 124.153 119.070 0.074 0.000 2.597 301 H HA 0.342 4.899 4.556 0.003 0.000 0.303 301 H C -0.250 175.074 175.328 -0.007 0.000 1.057 301 H CA -0.747 55.325 56.048 0.040 0.000 1.261 301 H CB 1.808 31.654 29.762 0.140 0.000 1.397 301 H HN 0.498 nan 8.280 nan 0.000 0.461 302 L N 5.051 126.275 121.223 0.001 0.000 2.305 302 L HA 0.210 4.551 4.340 0.003 0.000 0.281 302 L C -0.382 176.331 176.870 -0.261 0.000 1.085 302 L CA -0.200 54.634 54.840 -0.011 0.000 0.813 302 L CB 0.445 42.571 42.059 0.112 0.000 1.157 302 L HN 0.541 nan 8.230 nan 0.000 0.436 303 H N 5.892 124.886 119.070 -0.127 0.000 2.791 303 H HA 0.115 4.673 4.556 0.003 0.000 0.272 303 H C -1.378 173.857 175.328 -0.155 0.000 1.188 303 H CA -0.387 55.540 56.048 -0.202 0.000 1.436 303 H CB 0.747 30.113 29.762 -0.660 0.000 1.467 303 H HN 0.720 nan 8.280 nan 0.000 0.500 304 W N 3.976 125.214 121.300 -0.104 0.000 2.351 304 W HA 0.063 4.724 4.660 0.002 0.000 0.311 304 W C -0.708 175.843 176.519 0.053 0.000 1.168 304 W CA -0.495 56.776 57.345 -0.123 0.000 1.200 304 W CB 0.863 30.300 29.460 -0.037 0.000 1.221 304 W HN 0.557 nan 8.180 nan 0.000 0.519 305 Y N 2.437 122.352 120.300 -0.641 0.000 2.511 305 Y HA -0.021 4.531 4.550 0.003 0.000 0.279 305 Y C 1.111 176.799 175.900 -0.353 0.000 1.157 305 Y CA 0.041 57.899 58.100 -0.404 0.000 1.300 305 Y CB -0.688 37.563 38.460 -0.348 0.000 1.052 305 Y HN 0.481 nan 8.280 nan 0.000 0.529 306 D N 0.265 120.425 120.400 -0.399 0.000 2.746 306 D HA -0.193 4.449 4.640 0.003 0.000 0.236 306 D C -0.239 176.048 176.300 -0.022 0.000 1.129 306 D CA 0.687 54.688 54.000 0.001 0.000 0.691 306 D CB -0.674 40.200 40.800 0.124 0.000 1.077 306 D HN 0.288 nan 8.370 nan 0.000 0.432 307 K N 0.112 120.426 120.400 -0.144 0.000 2.185 307 K HA 0.409 4.730 4.320 0.003 0.000 0.240 307 K C 0.194 176.795 176.600 0.001 0.000 0.983 307 K CA -0.953 55.302 56.287 -0.055 0.000 0.873 307 K CB 1.002 33.455 32.500 -0.079 0.000 1.118 307 K HN 0.204 nan 8.250 nan 0.000 0.441 308 E N 0.658 120.878 120.200 0.033 0.000 2.344 308 E HA 0.069 4.421 4.350 0.003 0.000 0.270 308 E C -0.839 175.802 176.600 0.069 0.000 1.021 308 E CA -0.516 55.924 56.400 0.068 0.000 0.887 308 E CB 0.741 30.475 29.700 0.057 0.000 0.997 308 E HN 0.077 nan 8.360 nan 0.000 0.429 309 V N 5.539 125.525 119.914 0.119 0.000 2.485 309 V HA 0.162 4.284 4.120 0.003 0.000 0.287 309 V C 0.448 176.593 176.094 0.086 0.000 1.022 309 V CA 0.363 62.737 62.300 0.122 0.000 1.067 309 V CB -0.302 31.638 31.823 0.195 0.000 0.967 309 V HN 0.696 nan 8.190 nan 0.000 0.479 310 R N 4.591 125.132 120.500 0.068 0.000 2.808 310 R HA 0.469 4.810 4.340 0.003 0.000 0.272 310 R C -2.892 173.441 176.300 0.055 0.000 0.995 310 R CA -2.087 54.046 56.100 0.055 0.000 0.917 310 R CB 2.075 32.399 30.300 0.040 0.000 1.217 310 R HN 0.345 nan 8.270 nan 0.000 0.471 311 P HA 0.014 nan 4.420 nan 0.000 0.264 311 P C 0.411 177.730 177.300 0.030 0.000 1.193 311 P CA 0.964 64.089 63.100 0.042 0.000 0.763 311 P CB 0.599 32.319 31.700 0.034 0.000 0.810 312 G N 1.991 110.807 108.800 0.027 0.000 2.168 312 G HA2 -0.310 3.652 3.960 0.003 0.000 0.263 312 G HA3 -0.310 3.652 3.960 0.003 0.000 0.263 312 G C 0.331 175.243 174.900 0.021 0.000 0.977 312 G CA -0.017 45.091 45.100 0.013 0.000 0.659 312 G HN 0.672 nan 8.290 nan 0.000 0.533 313 R N 0.555 121.076 120.500 0.034 0.000 2.349 313 R HA 0.552 4.894 4.340 0.003 0.000 0.299 313 R C 0.211 176.539 176.300 0.047 0.000 1.027 313 R CA -0.647 55.474 56.100 0.035 0.000 0.958 313 R CB 0.430 30.749 30.300 0.032 0.000 1.047 313 R HN 0.162 nan 8.270 nan 0.000 0.468 314 K N 3.356 123.797 120.400 0.069 0.000 2.310 314 K HA 0.071 4.393 4.320 0.003 0.000 0.290 314 K C 0.755 177.428 176.600 0.121 0.000 1.077 314 K CA -0.266 56.095 56.287 0.124 0.000 0.922 314 K CB 1.161 33.786 32.500 0.209 0.000 1.057 314 K HN 0.523 nan 8.250 nan 0.000 0.479 315 V N -0.243 119.622 119.914 -0.081 0.000 3.621 315 V HA 0.399 4.520 4.120 0.003 0.000 0.263 315 V C 0.692 176.092 176.094 -1.157 0.000 1.272 315 V CA 0.493 62.524 62.300 -0.448 0.000 1.080 315 V CB 0.158 31.735 31.823 -0.410 0.000 0.816 315 V HN 0.802 nan 8.190 nan 0.000 0.451 316 G N -0.022 108.109 108.800 -1.116 0.000 2.321 316 G HA2 0.514 4.475 3.960 0.003 0.000 0.296 316 G HA3 0.514 4.475 3.960 0.003 0.000 0.296 316 G C -1.436 173.216 174.900 -0.413 0.000 1.287 316 G CA -0.130 44.128 45.100 -1.403 0.000 0.846 316 G HN 1.101 nan 8.290 nan 0.000 0.508 317 H N -1.642 117.322 119.070 -0.176 0.000 3.042 317 H HA 0.658 5.216 4.556 0.003 0.000 0.346 317 H C -1.901 173.497 175.328 0.116 0.000 1.294 317 H CA -0.958 55.122 56.048 0.053 0.000 1.141 317 H CB 1.293 31.182 29.762 0.212 0.000 1.872 317 H HN 0.587 nan 8.280 nan 0.000 0.541 318 L N 2.189 123.505 121.223 0.153 0.000 2.341 318 L HA 0.399 4.741 4.340 0.003 0.000 0.278 318 L C -0.483 176.556 176.870 0.283 0.000 1.005 318 L CA -0.840 54.068 54.840 0.112 0.000 0.818 318 L CB 1.678 43.694 42.059 -0.072 0.000 1.259 318 L HN 0.480 nan 8.230 nan 0.000 0.418 319 N N 3.162 122.085 118.700 0.371 0.000 2.370 319 N HA 0.786 5.528 4.740 0.003 0.000 0.303 319 N C -1.220 174.485 175.510 0.324 0.000 1.103 319 N CA -0.444 52.835 53.050 0.382 0.000 0.848 319 N CB 2.513 41.268 38.487 0.446 0.000 1.235 319 N HN 0.302 nan 8.380 nan 0.000 0.496 320 L N 0.247 121.618 121.223 0.246 0.000 2.436 320 L HA 0.540 4.882 4.340 0.003 0.000 0.268 320 L C 0.055 177.025 176.870 0.166 0.000 0.974 320 L CA -0.389 54.564 54.840 0.189 0.000 0.826 320 L CB 2.191 44.298 42.059 0.081 0.000 1.291 320 L HN 0.440 nan 8.230 nan 0.000 0.406 321 T N 0.717 115.379 114.554 0.179 0.000 2.903 321 T HA 0.773 5.124 4.350 0.003 0.000 0.299 321 T C -2.090 172.671 174.700 0.102 0.000 1.093 321 T CA -0.310 61.868 62.100 0.130 0.000 1.002 321 T CB 1.526 70.490 68.868 0.161 0.000 1.127 321 T HN 0.677 nan 8.240 nan 0.000 0.488 322 D N 0.225 120.671 120.400 0.075 0.000 2.722 322 D HA 0.240 4.881 4.640 0.003 0.000 0.231 322 D C 0.839 177.178 176.300 0.066 0.000 1.218 322 D CA -0.078 53.959 54.000 0.062 0.000 0.753 322 D CB 1.491 42.307 40.800 0.026 0.000 1.471 322 D HN 0.447 nan 8.370 nan 0.000 0.455 323 S N 1.150 116.889 115.700 0.065 0.000 2.446 323 S HA -0.008 4.463 4.470 0.003 0.000 0.225 323 S C 0.712 175.347 174.600 0.059 0.000 1.016 323 S CA 0.169 58.411 58.200 0.070 0.000 0.943 323 S CB 0.094 63.333 63.200 0.064 0.000 0.786 323 S HN 0.439 nan 8.310 nan 0.000 0.508 324 D N 3.005 123.427 120.400 0.036 0.000 2.374 324 D HA 0.167 4.808 4.640 0.003 0.000 0.240 324 D C 1.312 177.607 176.300 -0.009 0.000 1.229 324 D CA 0.257 54.268 54.000 0.018 0.000 0.895 324 D CB 1.268 42.072 40.800 0.006 0.000 1.046 324 D HN 0.356 nan 8.370 nan 0.000 0.498 325 T N -0.056 114.504 114.554 0.009 0.000 2.995 325 T HA -0.143 4.208 4.350 0.003 0.000 0.269 325 T C 1.812 176.431 174.700 -0.135 0.000 1.091 325 T CA 1.141 63.208 62.100 -0.056 0.000 1.128 325 T CB 0.053 68.988 68.868 0.112 0.000 0.891 325 T HN 0.192 nan 8.240 nan 0.000 0.492 326 S N 1.119 116.781 115.700 -0.064 0.000 2.368 326 S HA -0.072 4.400 4.470 0.003 0.000 0.224 326 S C 2.322 176.870 174.600 -0.086 0.000 1.029 326 S CA 1.023 59.182 58.200 -0.068 0.000 0.988 326 S CB -0.474 62.708 63.200 -0.030 0.000 0.838 326 S HN 0.621 nan 8.310 nan 0.000 0.462 327 R N -0.135 120.324 120.500 -0.069 0.000 2.096 327 R HA -0.043 4.299 4.340 0.003 0.000 0.235 327 R C 2.264 178.505 176.300 -0.098 0.000 1.127 327 R CA 1.489 57.552 56.100 -0.063 0.000 0.968 327 R CB -0.444 29.834 30.300 -0.036 0.000 0.861 327 R HN 0.444 nan 8.270 nan 0.000 0.440 328 L N 0.778 121.912 121.223 -0.147 0.000 2.027 328 L HA -0.127 4.214 4.340 0.003 0.000 0.206 328 L C 2.248 178.955 176.870 -0.272 0.000 1.074 328 L CA 2.598 57.311 54.840 -0.211 0.000 0.745 328 L CB -1.059 40.818 42.059 -0.304 0.000 0.898 328 L HN 0.417 nan 8.230 nan 0.000 0.433 329 T N -3.247 111.095 114.554 -0.353 0.000 2.951 329 T HA 0.000 4.352 4.350 0.003 0.000 0.268 329 T C 1.894 176.508 174.700 -0.143 0.000 1.073 329 T CA 0.801 62.726 62.100 -0.292 0.000 1.134 329 T CB -0.711 67.981 68.868 -0.294 0.000 0.884 329 T HN 0.326 nan 8.240 nan 0.000 0.479 330 A N 1.776 124.528 122.820 -0.114 0.000 1.933 330 A HA -0.032 4.289 4.320 0.003 0.000 0.218 330 A C 2.589 180.141 177.584 -0.054 0.000 1.175 330 A CA 2.001 53.999 52.037 -0.065 0.000 0.628 330 A CB -1.435 17.534 19.000 -0.052 0.000 0.814 330 A HN 0.532 nan 8.150 nan 0.000 0.444 331 T N 0.420 114.935 114.554 -0.066 0.000 2.777 331 T HA -0.066 4.286 4.350 0.003 0.000 0.266 331 T C 1.800 176.477 174.700 -0.038 0.000 1.040 331 T CA 1.396 63.469 62.100 -0.045 0.000 1.141 331 T CB -0.371 68.468 68.868 -0.048 0.000 0.868 331 T HN 0.362 nan 8.240 nan 0.000 0.444 332 L N 0.624 121.813 121.223 -0.056 0.000 2.042 332 L HA -0.137 4.205 4.340 0.003 0.000 0.210 332 L C 2.749 179.611 176.870 -0.012 0.000 1.076 332 L CA 1.374 56.195 54.840 -0.033 0.000 0.749 332 L CB -0.422 41.612 42.059 -0.041 0.000 0.893 332 L HN 0.239 nan 8.230 nan 0.000 0.432 333 E N 0.134 120.322 120.200 -0.019 0.000 2.085 333 E HA -0.225 4.126 4.350 0.003 0.000 0.194 333 E C 2.128 178.732 176.600 0.007 0.000 0.994 333 E CA 1.408 57.807 56.400 -0.002 0.000 0.801 333 E CB -0.071 29.624 29.700 -0.008 0.000 0.743 333 E HN 0.424 nan 8.360 nan 0.000 0.453 334 A N 0.096 122.917 122.820 0.002 0.000 2.014 334 A HA -0.057 4.264 4.320 0.003 0.000 0.218 334 A C 2.157 179.756 177.584 0.025 0.000 1.163 334 A CA 0.736 52.780 52.037 0.012 0.000 0.652 334 A CB -0.411 18.592 19.000 0.005 0.000 0.808 334 A HN 0.356 nan 8.150 nan 0.000 0.449 335 L N -0.618 120.613 121.223 0.014 0.000 2.179 335 L HA -0.078 4.264 4.340 0.003 0.000 0.208 335 L C 2.257 179.137 176.870 0.017 0.000 1.096 335 L CA 0.624 55.471 54.840 0.012 0.000 0.779 335 L CB -0.323 41.712 42.059 -0.039 0.000 0.922 335 L HN 0.403 nan 8.230 nan 0.000 0.443 336 I N 0.885 121.470 120.570 0.025 0.000 2.091 336 I HA -0.289 3.882 4.170 0.003 0.000 0.240 336 I C -0.457 175.694 176.117 0.056 0.000 1.046 336 I CA 1.820 63.147 61.300 0.044 0.000 1.306 336 I CB -1.572 36.460 38.000 0.053 0.000 1.018 336 I HN 0.251 nan 8.210 nan 0.000 0.404 337 P HA -0.091 nan 4.420 nan 0.000 0.230 337 P C 1.441 178.786 177.300 0.075 0.000 1.158 337 P CA 1.329 64.464 63.100 0.058 0.000 0.769 337 P CB -0.107 31.618 31.700 0.043 0.000 0.807 338 L N -2.053 119.234 121.223 0.106 0.000 2.567 338 L HA 0.171 4.513 4.340 0.003 0.000 0.225 338 L C 1.198 178.242 176.870 0.291 0.000 1.119 338 L CA 0.108 55.061 54.840 0.189 0.000 0.871 338 L CB -0.330 41.920 42.059 0.317 0.000 1.036 338 L HN -0.070 nan 8.230 nan 0.000 0.459 339 L N -0.725 120.579 121.223 0.135 0.000 2.313 339 L HA 0.500 4.842 4.340 0.003 0.000 0.268 339 L C -2.187 174.729 176.870 0.077 0.000 1.010 339 L CA -2.024 52.831 54.840 0.025 0.000 0.814 339 L CB 1.278 43.173 42.059 -0.273 0.000 1.304 339 L HN -0.278 nan 8.230 nan 0.000 0.441 340 P HA 0.085 nan 4.420 nan 0.000 0.270 340 P C -2.138 175.327 177.300 0.275 0.000 1.223 340 P CA -0.921 62.306 63.100 0.212 0.000 0.785 340 P CB 0.074 31.970 31.700 0.328 0.000 0.923 341 P HA -0.191 nan 4.420 nan 0.000 0.218 341 P C 1.189 178.573 177.300 0.141 0.000 1.148 341 P CA 1.349 64.537 63.100 0.146 0.000 0.822 341 P CB -0.273 31.483 31.700 0.094 0.000 0.784 342 E N -1.161 119.117 120.200 0.130 0.000 2.472 342 E HA -0.186 4.166 4.350 0.003 0.000 0.200 342 E C 1.083 177.643 176.600 -0.067 0.000 1.046 342 E CA 1.110 57.511 56.400 0.002 0.000 0.871 342 E CB -1.017 28.635 29.700 -0.080 0.000 0.806 342 E HN 0.348 nan 8.360 nan 0.000 0.533 343 Y N 1.184 121.499 120.300 0.025 0.000 2.420 343 Y HA 0.215 4.766 4.550 0.002 0.000 0.292 343 Y C 2.731 178.647 175.900 0.027 0.000 1.119 343 Y CA 0.617 58.726 58.100 0.016 0.000 1.229 343 Y CB -0.313 38.148 38.460 0.002 0.000 1.026 343 Y HN 0.148 nan 8.280 nan 0.000 0.554 344 A N 0.308 123.233 122.820 0.175 0.000 1.884 344 A HA -0.306 4.016 4.320 0.003 0.000 0.219 344 A C 2.474 180.124 177.584 0.110 0.000 1.197 344 A CA 2.672 54.785 52.037 0.126 0.000 0.637 344 A CB -1.266 17.793 19.000 0.099 0.000 0.827 344 A HN 0.492 nan 8.150 nan 0.000 0.450 345 S N -0.652 115.097 115.700 0.083 0.000 2.382 345 S HA 0.021 4.493 4.470 0.003 0.000 0.228 345 S C 2.001 176.675 174.600 0.124 0.000 1.027 345 S CA 1.421 59.673 58.200 0.087 0.000 0.991 345 S CB -1.128 62.102 63.200 0.049 0.000 0.823 345 S HN 0.767 nan 8.310 nan 0.000 0.469 346 G N 0.963 109.815 108.800 0.085 0.000 2.448 346 G HA2 -0.018 3.944 3.960 0.003 0.000 0.218 346 G HA3 -0.018 3.944 3.960 0.003 0.000 0.218 346 G C 1.384 176.442 174.900 0.264 0.000 1.135 346 G CA 0.750 45.921 45.100 0.119 0.000 0.784 346 G HN 0.475 nan 8.290 nan 0.000 0.543 347 V N 1.004 121.038 119.914 0.200 0.000 2.427 347 V HA -0.088 4.033 4.120 0.003 0.000 0.248 347 V C 2.700 178.908 176.094 0.189 0.000 1.051 347 V CA 1.182 63.595 62.300 0.187 0.000 1.048 347 V CB -0.272 31.627 31.823 0.128 0.000 0.666 347 V HN 0.377 nan 8.190 nan 0.000 0.456 348 I N -1.105 119.572 120.570 0.179 0.000 2.315 348 I HA -0.257 3.915 4.170 0.003 0.000 0.248 348 I C 2.284 178.518 176.117 0.196 0.000 1.117 348 I CA 1.868 63.260 61.300 0.153 0.000 1.404 348 I CB -0.261 37.816 38.000 0.127 0.000 1.071 348 I HN 0.557 nan 8.210 nan 0.000 0.419 349 W N 1.840 123.172 121.300 0.054 0.000 2.358 349 W HA -0.233 4.429 4.660 0.003 0.000 0.303 349 W C 2.472 179.034 176.519 0.071 0.000 1.208 349 W CA 1.851 59.228 57.345 0.053 0.000 1.274 349 W CB -0.176 29.310 29.460 0.044 0.000 1.138 349 W HN 0.076 nan 8.180 nan 0.000 0.515 350 A N 0.342 123.290 122.820 0.214 0.000 1.877 350 A HA -0.262 4.060 4.320 0.003 0.000 0.216 350 A C 1.908 179.531 177.584 0.066 0.000 1.186 350 A CA 1.944 53.969 52.037 -0.021 0.000 0.620 350 A CB -1.008 18.118 19.000 0.210 0.000 0.822 350 A HN 0.530 nan 8.150 nan 0.000 0.443 351 Q N 0.230 120.110 119.800 0.133 0.000 2.135 351 Q HA -0.173 4.169 4.340 0.003 0.000 0.204 351 Q C 2.358 178.466 176.000 0.180 0.000 0.981 351 Q CA 1.883 57.792 55.803 0.176 0.000 0.856 351 Q CB -0.335 28.447 28.738 0.072 0.000 0.902 351 Q HN 0.873 nan 8.270 nan 0.000 0.425 352 S N 0.741 116.454 115.700 0.021 0.000 2.442 352 S HA -0.106 4.366 4.470 0.003 0.000 0.236 352 S C 1.493 176.017 174.600 -0.127 0.000 1.007 352 S CA 0.769 58.938 58.200 -0.051 0.000 0.965 352 S CB -0.053 63.094 63.200 -0.089 0.000 0.773 352 S HN 0.222 nan 8.310 nan 0.000 0.504 353 K N 0.544 120.814 120.400 -0.216 0.000 2.459 353 K HA 0.164 4.486 4.320 0.003 0.000 0.193 353 K C 0.581 177.018 176.600 -0.271 0.000 1.030 353 K CA 0.285 56.372 56.287 -0.334 0.000 1.026 353 K CB -0.540 31.677 32.500 -0.472 0.000 0.809 353 K HN 0.553 nan 8.250 nan 0.000 0.504 354 F N 1.378 121.322 119.950 -0.012 0.000 2.797 354 F HA 0.140 4.669 4.527 0.003 0.000 0.302 354 F C 1.589 177.353 175.800 -0.059 0.000 1.130 354 F CA -0.376 57.639 58.000 0.024 0.000 1.387 354 F CB 0.093 39.131 39.000 0.062 0.000 1.107 354 F HN -0.042 nan 8.300 nan 0.000 0.577 355 G N 0.000 108.816 108.800 0.026 0.000 5.446 355 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 355 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 355 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925