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 1r4n_1_F DATA FIRST_RESID 12 DATA SEQUENCE DWEGRWNHVK KFLERSGPFT HPDFEPSTES LQFLLDTCKV LVIGAGGLGC DATA SEQUENCE ELLKNLALSG FRQIHVIDMD TIDVSNLNRQ FLFRPKDIGR PKAEVAAEFL DATA SEQUENCE NDRVPNCNVV PHFNKIQDFN DTFYRQFHII VCGLDSIIAR RWINGMLISL DATA SEQUENCE LNYEDGVLDP SSIVPLIDGG TEGFKGNARV ILPGMTACIE CTLELYPPQV DATA SEQUENCE NFPMATIASM PRLPEHCIEY VRMLQWPKEQ PFGEGVPLDG DDPEHIQWIF DATA SEQUENCE QKSLERASQY NIRGVTYRLT QGVVKRIIPA VASTNAVIAA VCATEVFKIA DATA SEQUENCE TSAYIPLNNY LVFNDVDGLY TYTFEAERKE NCPACSQLPQ NIQFSPSAKL DATA SEQUENCE QEVLDYLTNS ASLQMKSPAI TATXXXXNRT LYLQSXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXVT SIEERTRXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXKE LGLVDXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGQ EXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV ADVTTPQTVL DATA SEQUENCE FKLHFT 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.424 176.300 0.206 0.000 2.045 12 D CA 0.000 54.083 54.000 0.139 0.000 0.868 12 D CB 0.000 40.917 40.800 0.195 0.000 0.688 13 W N 0.537 121.891 121.300 0.089 0.000 3.047 13 W HA 0.743 5.403 4.660 0.000 0.000 0.341 13 W C -0.843 175.702 176.519 0.044 0.000 1.225 13 W CA -0.812 56.561 57.345 0.047 0.000 1.150 13 W CB 0.240 29.707 29.460 0.011 0.000 1.470 13 W HN -0.354 nan 8.180 nan 0.000 0.578 14 E N 1.105 121.583 120.200 0.463 0.000 2.415 14 E HA 0.310 4.661 4.350 0.000 0.000 0.260 14 E C 1.120 177.907 176.600 0.312 0.000 1.016 14 E CA 1.965 58.543 56.400 0.297 0.000 0.924 14 E CB 0.528 30.354 29.700 0.209 0.000 0.961 14 E HN 1.038 nan 8.360 nan 0.000 0.459 15 G N 4.515 113.402 108.800 0.145 0.000 2.205 15 G HA2 -0.421 3.539 3.960 0.000 0.000 0.261 15 G HA3 -0.421 3.539 3.960 0.000 0.000 0.261 15 G C 1.258 176.174 174.900 0.027 0.000 0.980 15 G CA 0.705 45.879 45.100 0.123 0.000 0.632 15 G HN 0.581 nan 8.290 nan 0.000 0.533 16 R N -0.293 120.044 120.500 -0.272 0.000 2.122 16 R HA -0.136 4.204 4.340 0.000 0.000 0.236 16 R C 1.734 177.684 176.300 -0.583 0.000 1.129 16 R CA 2.328 57.978 56.100 -0.750 0.000 0.925 16 R CB -0.349 28.806 30.300 -1.907 0.000 0.850 16 R HN 0.557 nan 8.270 nan 0.000 0.431 17 W N 0.890 122.091 121.300 -0.165 0.000 3.433 17 W HA 0.199 4.859 4.660 0.000 0.000 0.376 17 W C 0.990 177.553 176.519 0.073 0.000 1.160 17 W CA -0.653 56.667 57.345 -0.042 0.000 1.832 17 W CB -0.059 29.368 29.460 -0.056 0.000 1.011 17 W HN 0.275 nan 8.180 nan 0.000 0.766 18 N N -0.036 118.811 118.700 0.245 0.000 2.223 18 N HA -0.181 4.559 4.740 0.000 0.000 0.185 18 N C 0.888 176.534 175.510 0.228 0.000 1.016 18 N CA 1.199 54.379 53.050 0.217 0.000 0.863 18 N CB -0.365 38.215 38.487 0.155 0.000 0.983 18 N HN 0.223 nan 8.380 nan 0.000 0.429 19 H N -1.246 117.914 119.070 0.149 0.000 2.574 19 H HA 0.172 4.728 4.556 0.000 0.000 0.277 19 H C 0.810 176.287 175.328 0.249 0.000 1.058 19 H CA 0.226 56.383 56.048 0.182 0.000 1.171 19 H CB 0.238 30.053 29.762 0.090 0.000 1.304 19 H HN 0.037 nan 8.280 nan 0.000 0.620 20 V N -1.572 118.576 119.914 0.390 0.000 3.193 20 V HA -0.037 4.083 4.120 0.000 0.000 0.237 20 V C 1.901 178.260 176.094 0.443 0.000 1.447 20 V CA -0.039 62.485 62.300 0.373 0.000 1.227 20 V CB 0.400 32.417 31.823 0.324 0.000 1.040 20 V HN 0.131 nan 8.190 nan 0.000 0.458 21 K N 1.267 121.864 120.400 0.329 0.000 2.044 21 K HA -0.226 4.094 4.320 0.000 0.000 0.210 21 K C 1.979 178.719 176.600 0.234 0.000 1.049 21 K CA 1.801 58.235 56.287 0.245 0.000 0.927 21 K CB -0.238 32.367 32.500 0.176 0.000 0.713 21 K HN 0.366 nan 8.250 nan 0.000 0.443 22 K N -0.203 120.308 120.400 0.184 0.000 2.286 22 K HA -0.151 4.170 4.320 0.000 0.000 0.203 22 K C 1.572 178.119 176.600 -0.088 0.000 1.045 22 K CA 1.337 57.620 56.287 -0.007 0.000 0.935 22 K CB -0.103 32.297 32.500 -0.166 0.000 0.737 22 K HN 0.114 nan 8.250 nan 0.000 0.460 23 F N -0.699 119.359 119.950 0.180 0.000 2.731 23 F HA 0.150 4.677 4.527 0.000 0.000 0.298 23 F C 1.505 177.461 175.800 0.261 0.000 1.106 23 F CA 0.222 58.350 58.000 0.213 0.000 1.329 23 F CB 0.216 39.425 39.000 0.350 0.000 1.100 23 F HN -0.132 nan 8.300 nan 0.000 0.592 24 L N -1.013 120.492 121.223 0.470 0.000 2.500 24 L HA 0.138 4.478 4.340 0.000 0.000 0.219 24 L C 1.879 178.933 176.870 0.306 0.000 1.057 24 L CA 0.533 55.627 54.840 0.422 0.000 0.854 24 L CB -0.257 41.972 42.059 0.284 0.000 1.078 24 L HN 0.010 nan 8.230 nan 0.000 0.480 25 E N 0.795 121.123 120.200 0.213 0.000 2.230 25 E HA 0.028 4.378 4.350 0.000 0.000 0.192 25 E C 0.341 177.020 176.600 0.132 0.000 0.987 25 E CA 0.318 56.794 56.400 0.126 0.000 0.841 25 E CB 0.372 30.125 29.700 0.088 0.000 0.783 25 E HN 0.393 nan 8.360 nan 0.000 0.481 26 R N 1.308 121.897 120.500 0.148 0.000 2.474 26 R HA 0.255 4.595 4.340 0.000 0.000 0.295 26 R C 0.153 176.550 176.300 0.162 0.000 0.980 26 R CA -0.366 55.795 56.100 0.102 0.000 0.934 26 R CB 1.614 31.918 30.300 0.006 0.000 1.101 26 R HN -0.012 nan 8.270 nan 0.000 0.469 27 S N 0.323 116.109 115.700 0.145 0.000 2.634 27 S HA 0.734 5.204 4.470 0.000 0.000 0.261 27 S C 0.406 174.992 174.600 -0.025 0.000 1.271 27 S CA -0.400 57.891 58.200 0.151 0.000 0.985 27 S CB 1.554 64.834 63.200 0.133 0.000 0.968 27 S HN 0.770 nan 8.310 nan 0.000 0.568 28 G N -0.835 107.916 108.800 -0.082 0.000 2.608 28 G HA2 0.555 4.515 3.960 0.000 0.000 0.291 28 G HA3 0.555 4.515 3.960 0.000 0.000 0.291 28 G C -2.869 172.008 174.900 -0.037 0.000 1.425 28 G CA -1.027 44.029 45.100 -0.073 0.000 0.787 28 G HN 0.483 nan 8.290 nan 0.000 0.484 29 P HA 0.137 nan 4.420 nan 0.000 0.214 29 P C 1.064 178.287 177.300 -0.129 0.000 1.162 29 P CA 0.781 63.846 63.100 -0.058 0.000 0.871 29 P CB 0.093 31.763 31.700 -0.051 0.000 0.783 30 F N -1.488 118.467 119.950 0.009 0.000 2.773 30 F HA 0.159 4.686 4.527 0.000 0.000 0.304 30 F C 1.230 177.007 175.800 -0.039 0.000 1.129 30 F CA -0.012 58.025 58.000 0.063 0.000 1.378 30 F CB -1.495 37.638 39.000 0.221 0.000 1.095 30 F HN -0.199 nan 8.300 nan 0.000 0.565 31 T N 0.269 114.779 114.554 -0.073 0.000 2.933 31 T HA -0.134 4.216 4.350 0.000 0.000 0.306 31 T C 0.030 174.682 174.700 -0.081 0.000 1.045 31 T CA 0.019 61.928 62.100 -0.319 0.000 1.143 31 T CB -0.126 68.468 68.868 -0.458 0.000 1.003 31 T HN 0.346 nan 8.240 nan 0.000 0.540 32 H N 5.620 124.620 119.070 -0.116 0.000 2.897 32 H HA 0.188 4.744 4.556 0.000 0.000 0.347 32 H C -1.651 173.709 175.328 0.053 0.000 1.068 32 H CA -1.022 55.033 56.048 0.012 0.000 1.426 32 H CB 0.641 30.428 29.762 0.042 0.000 1.410 32 H HN 0.414 nan 8.280 nan 0.000 0.597 33 P HA -0.223 nan 4.420 nan 0.000 0.214 33 P C 0.577 177.728 177.300 -0.249 0.000 1.172 33 P CA 1.965 64.816 63.100 -0.416 0.000 0.925 33 P CB 0.154 31.582 31.700 -0.454 0.000 0.793 34 D N -1.386 118.828 120.400 -0.310 0.000 2.389 34 D HA -0.088 4.552 4.640 0.000 0.000 0.250 34 D C 0.219 176.575 176.300 0.092 0.000 1.136 34 D CA 0.406 54.400 54.000 -0.008 0.000 0.945 34 D CB -0.796 40.079 40.800 0.125 0.000 0.890 34 D HN 0.191 nan 8.370 nan 0.000 0.525 35 F N 1.879 121.805 119.950 -0.041 0.000 2.438 35 F HA 0.142 4.669 4.527 0.000 0.000 0.356 35 F C 0.365 176.130 175.800 -0.058 0.000 1.099 35 F CA -0.331 57.651 58.000 -0.030 0.000 1.185 35 F CB 0.783 39.764 39.000 -0.032 0.000 1.115 35 F HN -0.310 nan 8.300 nan 0.000 0.526 36 E N 7.973 127.640 120.200 -0.887 0.000 2.182 36 E HA 0.234 4.584 4.350 0.000 0.000 0.258 36 E C -2.540 173.424 176.600 -1.060 0.000 0.879 36 E CA -2.157 53.821 56.400 -0.704 0.000 0.754 36 E CB 1.473 30.930 29.700 -0.405 0.000 1.162 36 E HN 0.358 nan 8.360 nan 0.000 0.419 37 P HA 0.053 nan 4.420 nan 0.000 0.273 37 P C -0.364 176.813 177.300 -0.205 0.000 1.319 37 P CA 0.098 62.997 63.100 -0.335 0.000 0.885 37 P CB 0.589 32.331 31.700 0.070 0.000 1.015 38 S N 1.824 117.403 115.700 -0.203 0.000 2.599 38 S HA 0.367 4.837 4.470 0.000 0.000 0.287 38 S C 1.046 175.609 174.600 -0.062 0.000 1.105 38 S CA -0.365 57.757 58.200 -0.131 0.000 0.899 38 S CB 1.724 64.815 63.200 -0.181 0.000 1.100 38 S HN 0.337 nan 8.310 nan 0.000 0.482 39 T N 0.973 115.502 114.554 -0.041 0.000 3.067 39 T HA 0.120 4.470 4.350 0.000 0.000 0.261 39 T C 1.267 175.957 174.700 -0.017 0.000 1.110 39 T CA 1.386 63.479 62.100 -0.011 0.000 1.113 39 T CB -0.277 68.590 68.868 -0.003 0.000 0.917 39 T HN 0.699 nan 8.240 nan 0.000 0.499 40 E N -0.128 120.046 120.200 -0.043 0.000 2.190 40 E HA -0.019 4.331 4.350 0.000 0.000 0.191 40 E C 2.211 178.791 176.600 -0.033 0.000 0.978 40 E CA 0.535 56.915 56.400 -0.033 0.000 0.839 40 E CB -0.003 29.666 29.700 -0.051 0.000 0.787 40 E HN 0.413 nan 8.360 nan 0.000 0.473 41 S N 1.263 116.913 115.700 -0.084 0.000 2.426 41 S HA -0.284 4.186 4.470 0.000 0.000 0.253 41 S C 1.768 176.353 174.600 -0.026 0.000 1.104 41 S CA 1.740 59.885 58.200 -0.092 0.000 1.158 41 S CB -0.568 62.572 63.200 -0.100 0.000 1.043 41 S HN 0.317 nan 8.310 nan 0.000 0.443 42 L N 1.667 122.871 121.223 -0.031 0.000 1.948 42 L HA -0.130 4.210 4.340 0.000 0.000 0.212 42 L C 2.407 179.193 176.870 -0.139 0.000 1.074 42 L CA 2.308 57.092 54.840 -0.093 0.000 0.753 42 L CB -1.330 40.673 42.059 -0.093 0.000 0.888 42 L HN 0.211 nan 8.230 nan 0.000 0.432 43 Q N -0.922 118.820 119.800 -0.097 0.000 2.118 43 Q HA -0.306 4.034 4.340 0.000 0.000 0.211 43 Q C 2.094 178.056 176.000 -0.064 0.000 0.998 43 Q CA 2.507 58.254 55.803 -0.095 0.000 0.872 43 Q CB -0.820 27.899 28.738 -0.032 0.000 0.925 43 Q HN 0.544 nan 8.270 nan 0.000 0.414 44 F N -0.260 119.602 119.950 -0.145 0.000 2.025 44 F HA -0.294 4.233 4.527 0.000 0.000 0.297 44 F C 1.926 177.628 175.800 -0.164 0.000 1.132 44 F CA 1.851 59.771 58.000 -0.133 0.000 1.191 44 F CB -0.900 38.021 39.000 -0.131 0.000 0.963 44 F HN 0.297 nan 8.300 nan 0.000 0.481 45 L N 0.499 121.714 121.223 -0.014 0.000 2.010 45 L HA -0.282 4.058 4.340 0.000 0.000 0.219 45 L C 2.208 178.896 176.870 -0.304 0.000 1.077 45 L CA 2.023 56.730 54.840 -0.220 0.000 0.773 45 L CB -1.052 40.801 42.059 -0.343 0.000 0.892 45 L HN 0.298 nan 8.230 nan 0.000 0.436 46 L N -0.867 120.172 121.223 -0.307 0.000 2.131 46 L HA -0.198 4.142 4.340 0.000 0.000 0.210 46 L C 2.014 178.777 176.870 -0.179 0.000 1.092 46 L CA 1.333 56.007 54.840 -0.277 0.000 0.759 46 L CB -0.635 41.223 42.059 -0.336 0.000 0.903 46 L HN 0.402 nan 8.230 nan 0.000 0.435 47 D N -1.672 118.605 120.400 -0.205 0.000 2.369 47 D HA -0.056 4.584 4.640 0.000 0.000 0.231 47 D C 2.224 178.395 176.300 -0.214 0.000 0.967 47 D CA 1.799 55.689 54.000 -0.184 0.000 0.905 47 D CB -0.032 40.654 40.800 -0.190 0.000 1.044 47 D HN 0.311 nan 8.370 nan 0.000 0.487 48 T N -1.667 112.664 114.554 -0.372 0.000 3.031 48 T HA 0.012 4.362 4.350 0.000 0.000 0.254 48 T C 1.425 176.091 174.700 -0.058 0.000 1.060 48 T CA -0.116 61.785 62.100 -0.331 0.000 1.135 48 T CB -0.625 67.798 68.868 -0.741 0.000 0.896 48 T HN -0.005 nan 8.240 nan 0.000 0.472 49 C N 3.657 122.943 119.300 -0.024 0.000 2.667 49 C HA 0.332 4.792 4.460 0.000 0.000 0.392 49 C C 0.530 175.677 174.990 0.262 0.000 1.332 49 C CA -0.770 58.401 59.018 0.255 0.000 1.594 49 C CB -1.720 26.096 27.740 0.126 0.000 2.345 49 C HN 0.419 nan 8.230 nan 0.000 0.594 50 K N 4.146 124.625 120.400 0.131 0.000 2.227 50 K HA 0.547 4.867 4.320 0.000 0.000 0.280 50 K C -0.825 175.899 176.600 0.207 0.000 1.041 50 K CA -0.230 56.090 56.287 0.054 0.000 0.905 50 K CB 1.170 33.516 32.500 -0.257 0.000 1.068 50 K HN 0.481 nan 8.250 nan 0.000 0.470 51 V N 5.126 125.200 119.914 0.267 0.000 2.525 51 V HA 0.237 4.357 4.120 0.000 0.000 0.299 51 V C -0.819 175.193 176.094 -0.136 0.000 1.034 51 V CA -1.044 61.313 62.300 0.096 0.000 0.863 51 V CB 1.589 33.432 31.823 0.034 0.000 0.999 51 V HN 0.573 nan 8.190 nan 0.000 0.423 52 L N 6.459 127.336 121.223 -0.577 0.000 2.312 52 L HA 0.695 5.035 4.340 0.000 0.000 0.281 52 L C -0.423 176.216 176.870 -0.385 0.000 1.070 52 L CA 0.223 54.548 54.840 -0.858 0.000 0.805 52 L CB 1.665 42.685 42.059 -1.733 0.000 1.174 52 L HN 0.436 nan 8.230 nan 0.000 0.434 53 V N 7.145 126.918 119.914 -0.234 0.000 2.325 53 V HA 0.358 4.478 4.120 0.000 0.000 0.280 53 V C 0.246 176.283 176.094 -0.094 0.000 1.016 53 V CA -0.460 61.754 62.300 -0.144 0.000 0.818 53 V CB 0.985 32.744 31.823 -0.106 0.000 1.019 53 V HN 0.622 nan 8.190 nan 0.000 0.434 54 I N 4.950 125.474 120.570 -0.078 0.000 2.452 54 I HA 0.555 4.725 4.170 0.000 0.000 0.287 54 I C 0.991 177.094 176.117 -0.024 0.000 1.079 54 I CA 0.651 61.937 61.300 -0.022 0.000 1.387 54 I CB 0.645 38.654 38.000 0.016 0.000 1.404 54 I HN 0.836 nan 8.210 nan 0.000 0.522 55 G N 4.766 113.559 108.800 -0.012 0.000 2.712 55 G HA2 0.189 4.149 3.960 0.000 0.000 0.686 55 G HA3 0.189 4.149 3.960 0.000 0.000 0.686 55 G C -0.733 174.143 174.900 -0.040 0.000 1.181 55 G CA -0.383 44.702 45.100 -0.026 0.000 0.762 55 G HN 1.098 nan 8.290 nan 0.000 0.641 56 A N 0.660 123.459 122.820 -0.034 0.000 3.307 56 A HA 0.949 5.269 4.320 0.000 0.000 0.289 56 A C 0.354 177.922 177.584 -0.026 0.000 1.138 56 A CA 0.697 52.710 52.037 -0.041 0.000 0.860 56 A CB 0.552 19.561 19.000 0.015 0.000 1.318 56 A HN 2.634 nan 8.150 nan 0.000 0.551 57 G N -0.556 108.179 108.800 -0.108 0.000 2.717 57 G HA2 0.636 4.596 3.960 0.000 0.000 0.300 57 G HA3 0.636 4.596 3.960 0.000 0.000 0.300 57 G C 0.564 175.371 174.900 -0.154 0.000 1.424 57 G CA 0.799 45.825 45.100 -0.123 0.000 1.033 57 G HN 2.002 nan 8.290 nan 0.000 0.577 58 G N 0.983 109.664 108.800 -0.198 0.000 2.815 58 G HA2 -0.357 3.603 3.960 0.000 0.000 0.326 58 G HA3 -0.357 3.603 3.960 0.000 0.000 0.326 58 G C 1.610 176.424 174.900 -0.143 0.000 1.191 58 G CA 1.129 46.143 45.100 -0.144 0.000 0.965 58 G HN 1.360 nan 8.290 nan 0.000 0.564 59 L N 1.529 122.683 121.223 -0.114 0.000 1.971 59 L HA -0.033 4.307 4.340 0.000 0.000 0.215 59 L C 3.415 180.208 176.870 -0.128 0.000 1.072 59 L CA 2.386 57.162 54.840 -0.108 0.000 0.758 59 L CB -1.221 40.782 42.059 -0.093 0.000 0.889 59 L HN 0.745 nan 8.230 nan 0.000 0.433 60 G N -0.432 108.286 108.800 -0.137 0.000 2.631 60 G HA2 -0.347 3.613 3.960 0.000 0.000 0.219 60 G HA3 -0.347 3.613 3.960 0.000 0.000 0.219 60 G C 1.610 176.384 174.900 -0.211 0.000 1.214 60 G CA 1.334 46.345 45.100 -0.148 0.000 0.785 60 G HN 0.478 nan 8.290 nan 0.000 0.596 61 C N -0.006 119.086 119.300 -0.348 0.000 2.359 61 C HA -0.084 4.376 4.460 0.000 0.000 0.277 61 C C 2.711 177.507 174.990 -0.325 0.000 1.192 61 C CA 1.328 59.995 59.018 -0.586 0.000 1.759 61 C CB -1.186 25.901 27.740 -1.088 0.000 2.038 61 C HN 0.641 nan 8.230 nan 0.000 0.448 62 E N 0.492 120.627 120.200 -0.110 0.000 2.070 62 E HA -0.189 4.161 4.350 0.000 0.000 0.197 62 E C 2.022 178.621 176.600 -0.002 0.000 1.004 62 E CA 1.192 57.660 56.400 0.112 0.000 0.805 62 E CB -0.443 29.291 29.700 0.056 0.000 0.744 62 E HN 0.579 nan 8.360 nan 0.000 0.451 63 L N -0.227 120.951 121.223 -0.074 0.000 1.989 63 L HA -0.240 4.100 4.340 0.000 0.000 0.211 63 L C 2.472 179.291 176.870 -0.086 0.000 1.071 63 L CA 1.190 55.974 54.840 -0.093 0.000 0.749 63 L CB -0.432 41.559 42.059 -0.113 0.000 0.890 63 L HN 0.261 nan 8.230 nan 0.000 0.431 64 L N -0.267 120.900 121.223 -0.092 0.000 2.012 64 L HA -0.301 4.039 4.340 0.000 0.000 0.210 64 L C 2.723 179.579 176.870 -0.022 0.000 1.073 64 L CA 1.581 56.378 54.840 -0.071 0.000 0.748 64 L CB -0.541 41.457 42.059 -0.101 0.000 0.891 64 L HN 0.307 nan 8.230 nan 0.000 0.431 65 K N 0.236 120.641 120.400 0.008 0.000 1.978 65 K HA -0.223 4.097 4.320 0.000 0.000 0.214 65 K C 1.975 178.591 176.600 0.027 0.000 1.049 65 K CA 1.944 58.263 56.287 0.053 0.000 0.939 65 K CB -0.091 32.493 32.500 0.141 0.000 0.721 65 K HN 0.258 nan 8.250 nan 0.000 0.441 66 N N 1.188 119.887 118.700 -0.002 0.000 2.037 66 N HA -0.224 4.516 4.740 0.000 0.000 0.196 66 N C 2.021 177.535 175.510 0.005 0.000 1.034 66 N CA 1.631 54.668 53.050 -0.022 0.000 0.861 66 N CB -0.612 37.840 38.487 -0.058 0.000 1.039 66 N HN 0.226 nan 8.380 nan 0.000 0.427 67 L N 0.851 122.050 121.223 -0.040 0.000 2.012 67 L HA -0.188 4.152 4.340 0.000 0.000 0.210 67 L C 2.503 179.477 176.870 0.174 0.000 1.073 67 L CA 1.385 56.186 54.840 -0.065 0.000 0.748 67 L CB -0.574 41.347 42.059 -0.230 0.000 0.891 67 L HN 0.154 nan 8.230 nan 0.000 0.431 68 A N 0.030 122.940 122.820 0.151 0.000 1.908 68 A HA -0.181 4.139 4.320 0.000 0.000 0.218 68 A C 2.098 179.884 177.584 0.337 0.000 1.181 68 A CA 1.637 53.813 52.037 0.232 0.000 0.627 68 A CB -0.718 18.377 19.000 0.158 0.000 0.818 68 A HN 0.440 nan 8.150 nan 0.000 0.445 69 L N -0.459 120.907 121.223 0.238 0.000 2.591 69 L HA 0.062 4.402 4.340 0.000 0.000 0.228 69 L C 1.851 178.923 176.870 0.337 0.000 1.133 69 L CA 0.417 55.394 54.840 0.227 0.000 0.880 69 L CB 0.032 42.119 42.059 0.048 0.000 1.033 69 L HN 0.235 nan 8.230 nan 0.000 0.450 70 S N -0.079 115.831 115.700 0.350 0.000 2.524 70 S HA 0.204 4.674 4.470 0.000 0.000 0.216 70 S C 1.356 176.180 174.600 0.373 0.000 0.987 70 S CA 0.774 59.146 58.200 0.287 0.000 0.909 70 S CB 0.578 63.967 63.200 0.315 0.000 0.781 70 S HN 0.612 nan 8.310 nan 0.000 0.521 71 G N 0.884 109.893 108.800 0.348 0.000 2.157 71 G HA2 -0.130 3.830 3.960 0.000 0.000 0.118 71 G HA3 -0.130 3.830 3.960 0.000 0.000 0.118 71 G C -0.366 174.349 174.900 -0.309 0.000 1.032 71 G CA -0.829 44.085 45.100 -0.309 0.000 0.697 71 G HN 0.298 nan 8.290 nan 0.000 0.495 72 F N 0.262 120.211 119.950 -0.002 0.000 2.469 72 F HA 0.716 5.243 4.527 0.000 0.000 0.332 72 F C 1.404 177.224 175.800 0.033 0.000 1.103 72 F CA -1.018 56.992 58.000 0.018 0.000 0.979 72 F CB 1.638 40.681 39.000 0.070 0.000 1.137 72 F HN -0.092 nan 8.300 nan 0.000 0.463 73 R N 0.093 120.684 120.500 0.152 0.000 2.215 73 R HA 0.132 4.472 4.340 0.000 0.000 0.190 73 R C -0.158 176.225 176.300 0.139 0.000 0.968 73 R CA 0.148 56.321 56.100 0.122 0.000 1.122 73 R CB 0.196 30.522 30.300 0.045 0.000 1.151 73 R HN 0.469 nan 8.270 nan 0.000 0.582 74 Q N 1.893 121.782 119.800 0.147 0.000 2.452 74 Q HA 0.324 4.664 4.340 0.000 0.000 0.230 74 Q C -0.381 175.777 176.000 0.264 0.000 1.180 74 Q CA 0.505 56.415 55.803 0.179 0.000 0.914 74 Q CB 0.281 29.104 28.738 0.141 0.000 1.408 74 Q HN 0.288 nan 8.270 nan 0.000 0.520 75 I N 1.882 122.593 120.570 0.235 0.000 2.498 75 I HA 0.344 4.514 4.170 0.000 0.000 0.290 75 I C -0.009 176.242 176.117 0.222 0.000 1.032 75 I CA -0.699 60.735 61.300 0.224 0.000 1.073 75 I CB 1.861 39.929 38.000 0.113 0.000 1.251 75 I HN 0.382 nan 8.210 nan 0.000 0.426 76 H N 4.628 123.744 119.070 0.076 0.000 2.524 76 H HA 0.619 5.175 4.556 0.000 0.000 0.353 76 H C -1.120 174.231 175.328 0.038 0.000 1.136 76 H CA -0.885 55.243 56.048 0.132 0.000 1.193 76 H CB 2.982 32.927 29.762 0.304 0.000 1.558 76 H HN 0.208 nan 8.280 nan 0.000 0.515 77 V N 5.060 125.082 119.914 0.181 0.000 2.487 77 V HA 0.323 4.443 4.120 0.000 0.000 0.298 77 V C 0.125 176.326 176.094 0.179 0.000 1.028 77 V CA -0.592 61.768 62.300 0.100 0.000 0.860 77 V CB 1.863 33.704 31.823 0.030 0.000 0.991 77 V HN 0.568 nan 8.190 nan 0.000 0.427 78 I N 3.703 124.349 120.570 0.126 0.000 2.493 78 I HA 0.637 4.807 4.170 0.000 0.000 0.298 78 I C -0.776 175.396 176.117 0.093 0.000 0.998 78 I CA -0.210 61.187 61.300 0.163 0.000 1.137 78 I CB 1.922 39.996 38.000 0.123 0.000 1.310 78 I HN 0.622 nan 8.210 nan 0.000 0.445 79 D N 5.589 126.043 120.400 0.091 0.000 2.414 79 D HA 0.115 4.755 4.640 0.000 0.000 0.187 79 D C 0.102 176.370 176.300 -0.054 0.000 1.255 79 D CA -0.390 53.612 54.000 0.004 0.000 0.825 79 D CB 1.220 41.998 40.800 -0.037 0.000 1.912 79 D HN 0.581 nan 8.370 nan 0.000 0.530 80 M N 0.214 119.797 119.600 -0.028 0.000 2.394 80 M HA 0.189 4.669 4.480 0.000 0.000 0.264 80 M C 0.425 176.640 176.300 -0.141 0.000 1.073 80 M CA 0.795 56.086 55.300 -0.015 0.000 1.111 80 M CB 0.113 32.725 32.600 0.019 0.000 1.401 80 M HN -0.024 nan 8.290 nan 0.000 0.448 81 D N 1.289 121.578 120.400 -0.184 0.000 2.387 81 D HA 0.266 4.906 4.640 0.000 0.000 0.251 81 D C -0.524 175.567 176.300 -0.349 0.000 1.141 81 D CA 0.104 53.981 54.000 -0.205 0.000 0.987 81 D CB 1.589 42.315 40.800 -0.123 0.000 1.116 81 D HN 0.014 nan 8.370 nan 0.000 0.491 82 T N 0.489 114.886 114.554 -0.262 0.000 2.829 82 T HA 0.435 4.785 4.350 0.000 0.000 0.280 82 T C 0.353 174.909 174.700 -0.241 0.000 0.999 82 T CA -0.711 61.218 62.100 -0.286 0.000 0.983 82 T CB 0.285 69.051 68.868 -0.169 0.000 0.968 82 T HN 0.196 nan 8.240 nan 0.000 0.446 83 I N 4.654 125.019 120.570 -0.343 0.000 2.906 83 I HA 0.038 4.208 4.170 0.000 0.000 0.302 83 I C 0.619 176.646 176.117 -0.150 0.000 1.220 83 I CA 0.621 61.730 61.300 -0.319 0.000 1.441 83 I CB 0.215 37.905 38.000 -0.517 0.000 1.336 83 I HN 0.598 nan 8.210 nan 0.000 0.565 84 D N 5.525 125.884 120.400 -0.069 0.000 2.646 84 D HA 0.104 4.744 4.640 0.000 0.000 0.245 84 D C 0.615 176.916 176.300 0.002 0.000 1.099 84 D CA -0.618 53.360 54.000 -0.036 0.000 0.849 84 D CB 2.373 43.153 40.800 -0.034 0.000 1.448 84 D HN 0.327 nan 8.370 nan 0.000 0.489 85 V N 4.052 123.967 119.914 0.001 0.000 2.277 85 V HA -0.311 3.809 4.120 0.000 0.000 0.255 85 V C 1.910 178.021 176.094 0.027 0.000 1.074 85 V CA 3.475 65.786 62.300 0.019 0.000 1.058 85 V CB -0.618 31.212 31.823 0.012 0.000 0.656 85 V HN 0.717 nan 8.190 nan 0.000 0.449 86 S N -0.490 115.220 115.700 0.015 0.000 2.805 86 S HA -0.028 4.442 4.470 0.000 0.000 0.230 86 S C 1.152 175.762 174.600 0.016 0.000 0.968 86 S CA 1.010 59.217 58.200 0.011 0.000 0.976 86 S CB -0.715 62.484 63.200 -0.002 0.000 0.787 86 S HN 0.801 nan 8.310 nan 0.000 0.533 87 N N 0.992 119.717 118.700 0.042 0.000 2.332 87 N HA 0.260 5.000 4.740 0.000 0.000 0.190 87 N C 1.135 176.674 175.510 0.048 0.000 1.117 87 N CA 0.217 53.299 53.050 0.053 0.000 0.883 87 N CB -0.307 38.262 38.487 0.138 0.000 1.089 87 N HN 0.380 nan 8.380 nan 0.000 0.480 88 L N 2.095 123.360 121.223 0.070 0.000 2.651 88 L HA -0.053 4.287 4.340 0.000 0.000 0.236 88 L C 1.407 178.301 176.870 0.041 0.000 1.173 88 L CA 0.654 55.535 54.840 0.068 0.000 0.843 88 L CB -0.544 41.561 42.059 0.078 0.000 0.964 88 L HN 0.276 nan 8.230 nan 0.000 0.454 89 N N 0.779 119.492 118.700 0.021 0.000 2.236 89 N HA -0.037 4.703 4.740 0.000 0.000 0.196 89 N C 1.237 176.750 175.510 0.005 0.000 1.114 89 N CA 0.138 53.197 53.050 0.014 0.000 0.859 89 N CB 0.442 38.932 38.487 0.006 0.000 0.982 89 N HN 0.548 nan 8.380 nan 0.000 0.493 90 R N -1.463 119.034 120.500 -0.005 0.000 2.366 90 R HA 0.125 4.465 4.340 0.000 0.000 0.223 90 R C -0.367 175.912 176.300 -0.035 0.000 0.861 90 R CA -0.270 55.825 56.100 -0.007 0.000 1.226 90 R CB -0.333 29.946 30.300 -0.035 0.000 1.693 90 R HN -0.038 nan 8.270 nan 0.000 0.451 91 Q N 2.046 121.760 119.800 -0.142 0.000 2.901 91 Q HA 0.193 4.533 4.340 0.000 0.000 0.265 91 Q C -0.044 175.635 176.000 -0.536 0.000 1.263 91 Q CA -0.545 54.989 55.803 -0.449 0.000 1.088 91 Q CB 0.345 28.778 28.738 -0.509 0.000 1.339 91 Q HN 0.375 nan 8.270 nan 0.000 0.546 92 F N -1.301 118.468 119.950 -0.302 0.000 2.271 92 F HA -0.224 4.303 4.527 0.000 0.000 0.302 92 F C 0.944 176.604 175.800 -0.233 0.000 1.063 92 F CA 0.991 58.864 58.000 -0.210 0.000 1.362 92 F CB -0.376 38.521 39.000 -0.171 0.000 1.060 92 F HN 0.269 nan 8.300 nan 0.000 0.521 93 L N -0.636 120.016 121.223 -0.951 0.000 2.610 93 L HA 0.093 4.433 4.340 0.000 0.000 0.232 93 L C 0.003 176.949 176.870 0.127 0.000 1.149 93 L CA 0.157 54.604 54.840 -0.655 0.000 0.872 93 L CB -0.662 40.837 42.059 -0.933 0.000 0.992 93 L HN 0.118 nan 8.230 nan 0.000 0.447 94 F N -0.470 119.477 119.950 -0.005 0.000 2.508 94 F HA 0.549 5.076 4.527 0.000 0.000 0.325 94 F C 0.539 176.382 175.800 0.071 0.000 1.090 94 F CA -1.384 56.637 58.000 0.035 0.000 0.945 94 F CB 1.409 40.388 39.000 -0.035 0.000 1.156 94 F HN -0.211 nan 8.300 nan 0.000 0.463 95 R N 1.923 122.579 120.500 0.260 0.000 2.873 95 R HA 0.365 4.705 4.340 0.000 0.000 0.264 95 R C -2.040 174.318 176.300 0.097 0.000 1.026 95 R CA -2.412 53.779 56.100 0.152 0.000 1.002 95 R CB 1.112 31.479 30.300 0.112 0.000 1.174 95 R HN 0.216 nan 8.270 nan 0.000 0.488 96 P HA -0.206 nan 4.420 nan 0.000 0.216 96 P C 0.839 178.149 177.300 0.016 0.000 1.150 96 P CA 1.781 64.903 63.100 0.036 0.000 0.843 96 P CB 0.235 31.953 31.700 0.030 0.000 0.787 97 K N -0.673 119.738 120.400 0.017 0.000 2.147 97 K HA -0.157 4.163 4.320 0.000 0.000 0.205 97 K C 1.215 177.809 176.600 -0.011 0.000 1.049 97 K CA 1.750 58.038 56.287 0.002 0.000 0.936 97 K CB -0.850 31.651 32.500 0.002 0.000 0.722 97 K HN 0.053 nan 8.250 nan 0.000 0.446 98 D N 1.196 121.592 120.400 -0.007 0.000 2.348 98 D HA 0.053 4.693 4.640 0.000 0.000 0.216 98 D C 0.784 177.025 176.300 -0.098 0.000 0.970 98 D CA 0.347 54.319 54.000 -0.047 0.000 0.889 98 D CB -0.156 40.624 40.800 -0.033 0.000 0.912 98 D HN 0.278 nan 8.370 nan 0.000 0.524 99 I N 0.389 120.920 120.570 -0.065 0.000 2.948 99 I HA -0.086 4.084 4.170 0.000 0.000 0.303 99 I C 1.854 177.918 176.117 -0.088 0.000 1.224 99 I CA 1.133 62.385 61.300 -0.080 0.000 1.442 99 I CB 0.394 38.370 38.000 -0.040 0.000 1.328 99 I HN 0.205 nan 8.210 nan 0.000 0.578 100 G N 4.720 113.457 108.800 -0.106 0.000 2.253 100 G HA2 -0.256 3.704 3.960 0.000 0.000 0.251 100 G HA3 -0.256 3.704 3.960 0.000 0.000 0.251 100 G C 0.474 175.316 174.900 -0.097 0.000 0.998 100 G CA -0.161 44.888 45.100 -0.084 0.000 0.621 100 G HN 0.618 nan 8.290 nan 0.000 0.524 101 R N 0.825 121.239 120.500 -0.143 0.000 2.541 101 R HA 0.479 4.819 4.340 0.000 0.000 0.263 101 R C -2.679 173.476 176.300 -0.241 0.000 1.112 101 R CA -1.776 54.237 56.100 -0.145 0.000 1.170 101 R CB 0.258 30.470 30.300 -0.146 0.000 1.167 101 R HN 0.067 nan 8.270 nan 0.000 0.582 102 P HA 0.068 nan 4.420 nan 0.000 0.276 102 P C -0.263 176.778 177.300 -0.432 0.000 1.264 102 P CA 0.112 62.953 63.100 -0.433 0.000 0.769 102 P CB 0.699 32.240 31.700 -0.265 0.000 0.840 103 K N 3.250 123.349 120.400 -0.500 0.000 2.015 103 K HA -0.257 4.063 4.320 0.000 0.000 0.216 103 K C 1.951 178.444 176.600 -0.179 0.000 1.052 103 K CA 2.177 58.195 56.287 -0.448 0.000 0.937 103 K CB -0.701 31.673 32.500 -0.210 0.000 0.719 103 K HN 0.441 nan 8.250 nan 0.000 0.446 104 A N 1.409 124.130 122.820 -0.166 0.000 1.927 104 A HA -0.298 4.022 4.320 0.000 0.000 0.220 104 A C 2.087 179.649 177.584 -0.037 0.000 1.185 104 A CA 2.059 54.061 52.037 -0.059 0.000 0.639 104 A CB -0.593 18.384 19.000 -0.039 0.000 0.820 104 A HN 0.477 nan 8.150 nan 0.000 0.451 105 E N -0.451 119.707 120.200 -0.072 0.000 2.007 105 E HA -0.144 4.206 4.350 0.000 0.000 0.194 105 E C 1.995 178.592 176.600 -0.005 0.000 0.999 105 E CA 1.678 58.061 56.400 -0.027 0.000 0.811 105 E CB -0.198 29.491 29.700 -0.018 0.000 0.762 105 E HN 0.317 nan 8.360 nan 0.000 0.450 106 V N 1.661 121.552 119.914 -0.039 0.000 2.282 106 V HA -0.347 3.773 4.120 0.000 0.000 0.249 106 V C 2.482 178.683 176.094 0.179 0.000 1.057 106 V CA 1.975 64.298 62.300 0.040 0.000 1.032 106 V CB -1.199 30.578 31.823 -0.077 0.000 0.645 106 V HN 0.477 nan 8.190 nan 0.000 0.447 107 A N 0.389 123.343 122.820 0.223 0.000 1.881 107 A HA -0.297 4.023 4.320 0.000 0.000 0.219 107 A C 2.463 180.098 177.584 0.084 0.000 1.215 107 A CA 3.178 55.320 52.037 0.174 0.000 0.648 107 A CB -1.189 17.876 19.000 0.108 0.000 0.832 107 A HN 0.678 nan 8.150 nan 0.000 0.455 108 A N -0.861 121.994 122.820 0.057 0.000 1.902 108 A HA -0.180 4.140 4.320 0.000 0.000 0.217 108 A C 2.045 179.681 177.584 0.087 0.000 1.181 108 A CA 1.944 54.007 52.037 0.043 0.000 0.623 108 A CB -0.671 18.328 19.000 -0.001 0.000 0.818 108 A HN 0.737 nan 8.150 nan 0.000 0.443 109 E N -0.789 119.468 120.200 0.095 0.000 2.035 109 E HA -0.270 4.080 4.350 0.000 0.000 0.204 109 E C 1.885 178.595 176.600 0.184 0.000 1.025 109 E CA 1.776 58.239 56.400 0.106 0.000 0.835 109 E CB -0.396 29.356 29.700 0.087 0.000 0.764 109 E HN 0.652 nan 8.360 nan 0.000 0.457 110 F N 0.817 120.793 119.950 0.043 0.000 2.026 110 F HA -0.260 4.267 4.527 0.000 0.000 0.296 110 F C 2.454 178.285 175.800 0.052 0.000 1.133 110 F CA 1.330 59.361 58.000 0.052 0.000 1.188 110 F CB -0.231 38.809 39.000 0.066 0.000 0.968 110 F HN 0.107 nan 8.300 nan 0.000 0.476 111 L N 0.889 122.330 121.223 0.365 0.000 2.043 111 L HA -0.332 4.008 4.340 0.000 0.000 0.212 111 L C 2.001 178.993 176.870 0.205 0.000 1.075 111 L CA 1.572 56.540 54.840 0.214 0.000 0.752 111 L CB -0.660 41.427 42.059 0.047 0.000 0.891 111 L HN 0.249 nan 8.230 nan 0.000 0.432 112 N N -0.505 118.290 118.700 0.158 0.000 2.585 112 N HA -0.189 4.551 4.740 0.000 0.000 0.188 112 N C 1.153 176.740 175.510 0.128 0.000 1.102 112 N CA 1.092 54.215 53.050 0.122 0.000 0.920 112 N CB -0.105 38.432 38.487 0.082 0.000 0.963 112 N HN 0.529 nan 8.380 nan 0.000 0.447 113 D N 0.513 121.008 120.400 0.159 0.000 2.566 113 D HA -0.020 4.620 4.640 0.000 0.000 0.253 113 D C 1.862 178.241 176.300 0.132 0.000 0.992 113 D CA 0.219 54.286 54.000 0.112 0.000 0.940 113 D CB 0.382 41.213 40.800 0.052 0.000 1.095 113 D HN -0.059 nan 8.370 nan 0.000 0.480 114 R N 0.505 121.140 120.500 0.225 0.000 2.127 114 R HA -0.019 4.321 4.340 0.000 0.000 0.238 114 R C 0.304 176.716 176.300 0.187 0.000 1.134 114 R CA 0.856 57.099 56.100 0.238 0.000 0.975 114 R CB -0.228 30.362 30.300 0.483 0.000 0.865 114 R HN 0.013 nan 8.270 nan 0.000 0.447 115 V N 2.357 122.383 119.914 0.187 0.000 2.259 115 V HA 0.229 4.349 4.120 0.000 0.000 0.267 115 V C -1.731 174.469 176.094 0.177 0.000 1.051 115 V CA -1.729 60.672 62.300 0.169 0.000 0.830 115 V CB 1.134 33.054 31.823 0.162 0.000 1.080 115 V HN 0.193 nan 8.190 nan 0.000 0.467 116 P HA -0.301 nan 4.420 nan 0.000 0.245 116 P C 0.768 178.176 177.300 0.179 0.000 0.756 116 P CA 1.914 65.143 63.100 0.215 0.000 1.075 116 P CB 0.017 31.923 31.700 0.343 0.000 0.774 117 N N -2.147 116.670 118.700 0.194 0.000 2.320 117 N HA 0.082 4.822 4.740 0.000 0.000 0.237 117 N C 0.071 175.669 175.510 0.148 0.000 1.129 117 N CA -0.125 53.020 53.050 0.160 0.000 0.854 117 N CB -0.467 38.115 38.487 0.159 0.000 1.083 117 N HN 0.195 nan 8.380 nan 0.000 0.504 118 C N 0.998 120.392 119.300 0.156 0.000 2.700 118 C HA 0.146 4.606 4.460 0.000 0.000 0.397 118 C C 1.134 176.184 174.990 0.101 0.000 1.301 118 C CA 0.111 59.215 59.018 0.143 0.000 2.219 118 C CB -0.254 27.575 27.740 0.149 0.000 2.699 118 C HN 0.472 nan 8.230 nan 0.000 0.669 119 N N 2.122 120.872 118.700 0.084 0.000 2.703 119 N HA 0.282 5.022 4.740 0.000 0.000 0.283 119 N C -1.129 174.392 175.510 0.018 0.000 1.851 119 N CA -0.271 52.808 53.050 0.049 0.000 0.826 119 N CB 0.587 39.102 38.487 0.047 0.000 1.239 119 N HN 0.420 nan 8.380 nan 0.000 0.495 120 V N 1.196 121.118 119.914 0.013 0.000 2.555 120 V HA 0.262 4.382 4.120 0.000 0.000 0.286 120 V C 0.166 176.192 176.094 -0.113 0.000 1.044 120 V CA -0.411 61.872 62.300 -0.028 0.000 1.026 120 V CB 1.297 33.122 31.823 0.003 0.000 0.981 120 V HN 0.126 nan 8.190 nan 0.000 0.480 121 V N 8.349 128.112 119.914 -0.252 0.000 2.357 121 V HA 0.369 4.489 4.120 0.000 0.000 0.284 121 V C -1.948 173.926 176.094 -0.366 0.000 1.018 121 V CA -1.566 60.503 62.300 -0.386 0.000 0.841 121 V CB 1.599 32.979 31.823 -0.738 0.000 0.991 121 V HN 0.752 nan 8.190 nan 0.000 0.437 122 P HA 0.344 nan 4.420 nan 0.000 0.276 122 P C -0.935 176.140 177.300 -0.376 0.000 1.252 122 P CA -0.285 62.698 63.100 -0.196 0.000 0.802 122 P CB 1.025 32.678 31.700 -0.079 0.000 1.035 123 H N 0.729 119.879 119.070 0.133 0.000 3.059 123 H HA 0.127 4.683 4.556 0.000 0.000 0.302 123 H C -0.892 174.586 175.328 0.250 0.000 1.264 123 H CA -0.440 55.734 56.048 0.211 0.000 1.615 123 H CB -0.025 29.884 29.762 0.245 0.000 1.795 123 H HN 0.295 nan 8.280 nan 0.000 0.556 124 F N 4.286 124.315 119.950 0.131 0.000 2.659 124 F HA 0.123 4.650 4.527 0.000 0.000 0.356 124 F C -0.418 175.421 175.800 0.066 0.000 1.273 124 F CA -0.134 57.905 58.000 0.065 0.000 1.243 124 F CB -0.643 38.364 39.000 0.012 0.000 1.683 124 F HN 0.367 nan 8.300 nan 0.000 0.679 125 N N 2.411 121.359 118.700 0.414 0.000 2.774 125 N HA 0.316 5.056 4.740 0.000 0.000 0.264 125 N C -1.393 174.235 175.510 0.196 0.000 1.415 125 N CA -0.879 52.328 53.050 0.262 0.000 0.815 125 N CB 1.988 40.606 38.487 0.220 0.000 1.514 125 N HN 0.252 nan 8.380 nan 0.000 0.523 126 K N 0.453 120.906 120.400 0.088 0.000 2.307 126 K HA 0.395 4.715 4.320 0.000 0.000 0.263 126 K C 1.521 178.134 176.600 0.022 0.000 0.973 126 K CA -0.654 55.647 56.287 0.023 0.000 0.846 126 K CB 1.455 33.922 32.500 -0.055 0.000 1.100 126 K HN 0.650 nan 8.250 nan 0.000 0.438 127 I N -0.661 119.953 120.570 0.073 0.000 2.210 127 I HA -0.471 3.699 4.170 0.000 0.000 0.249 127 I C 0.930 176.990 176.117 -0.095 0.000 1.047 127 I CA 1.529 62.928 61.300 0.165 0.000 1.323 127 I CB -0.690 37.380 38.000 0.117 0.000 1.017 127 I HN 0.619 nan 8.210 nan 0.000 0.427 128 Q N 1.137 120.533 119.800 -0.673 0.000 2.547 128 Q HA -0.080 4.260 4.340 0.000 0.000 0.217 128 Q C 1.160 177.007 176.000 -0.255 0.000 0.978 128 Q CA 1.008 56.234 55.803 -0.962 0.000 0.962 128 Q CB -0.384 27.757 28.738 -0.996 0.000 0.990 128 Q HN 0.631 nan 8.270 nan 0.000 0.538 129 D N -0.907 119.403 120.400 -0.149 0.000 2.301 129 D HA 0.023 4.663 4.640 0.000 0.000 0.206 129 D C -0.212 175.886 176.300 -0.338 0.000 0.979 129 D CA 0.439 54.252 54.000 -0.311 0.000 0.874 129 D CB 0.304 40.763 40.800 -0.569 0.000 0.968 129 D HN 0.132 nan 8.370 nan 0.000 0.510 130 F N 1.139 121.129 119.950 0.066 0.000 2.380 130 F HA 0.323 4.850 4.527 0.000 0.000 0.321 130 F C 0.838 176.909 175.800 0.452 0.000 1.103 130 F CA -1.144 56.929 58.000 0.121 0.000 1.067 130 F CB 0.474 39.397 39.000 -0.128 0.000 1.265 130 F HN -0.220 nan 8.300 nan 0.000 0.517 131 N N -1.368 117.672 118.700 0.566 0.000 2.312 131 N HA 0.225 4.965 4.740 0.000 0.000 0.296 131 N C 0.125 175.920 175.510 0.475 0.000 1.193 131 N CA -0.710 52.619 53.050 0.465 0.000 0.773 131 N CB 0.731 39.373 38.487 0.259 0.000 1.435 131 N HN 0.585 nan 8.380 nan 0.000 0.484 132 D N -0.054 120.541 120.400 0.325 0.000 3.000 132 D HA -0.397 4.243 4.640 0.000 0.000 0.196 132 D C 0.969 177.412 176.300 0.238 0.000 1.110 132 D CA 2.849 56.994 54.000 0.242 0.000 0.873 132 D CB -1.465 39.394 40.800 0.098 0.000 0.948 132 D HN 0.640 nan 8.370 nan 0.000 0.496 133 T N 0.496 115.163 114.554 0.188 0.000 2.624 133 T HA -0.273 4.077 4.350 0.000 0.000 0.266 133 T C 1.541 176.328 174.700 0.145 0.000 1.050 133 T CA 2.060 64.243 62.100 0.138 0.000 1.163 133 T CB -0.776 68.175 68.868 0.138 0.000 0.861 133 T HN 0.280 nan 8.240 nan 0.000 0.443 134 F N 0.894 120.874 119.950 0.050 0.000 2.075 134 F HA -0.082 4.445 4.527 0.000 0.000 0.297 134 F C 2.047 177.729 175.800 -0.195 0.000 1.113 134 F CA 0.977 58.913 58.000 -0.107 0.000 1.218 134 F CB -0.785 38.137 39.000 -0.130 0.000 0.984 134 F HN 0.230 nan 8.300 nan 0.000 0.472 135 Y N 0.173 120.429 120.300 -0.072 0.000 2.352 135 Y HA -0.071 4.479 4.550 0.000 0.000 0.292 135 Y C 2.489 178.304 175.900 -0.141 0.000 1.136 135 Y CA 1.205 59.231 58.100 -0.125 0.000 1.227 135 Y CB -0.648 37.835 38.460 0.039 0.000 0.991 135 Y HN -0.036 nan 8.280 nan 0.000 0.545 136 R N 0.339 120.842 120.500 0.006 0.000 2.170 136 R HA -0.231 4.109 4.340 0.000 0.000 0.242 136 R C 2.046 178.220 176.300 -0.210 0.000 1.145 136 R CA 1.486 57.551 56.100 -0.059 0.000 0.984 136 R CB -0.344 29.930 30.300 -0.043 0.000 0.869 136 R HN 0.554 nan 8.270 nan 0.000 0.455 137 Q N -0.119 119.403 119.800 -0.463 0.000 2.077 137 Q HA -0.159 4.181 4.340 0.000 0.000 0.206 137 Q C 0.122 175.628 176.000 -0.824 0.000 0.989 137 Q CA 1.210 56.550 55.803 -0.772 0.000 0.853 137 Q CB -0.210 27.718 28.738 -1.350 0.000 0.907 137 Q HN 0.219 nan 8.270 nan 0.000 0.418 138 F N -0.529 119.184 119.950 -0.396 0.000 2.382 138 F HA 0.070 4.597 4.527 0.000 0.000 0.331 138 F C 1.559 177.219 175.800 -0.233 0.000 1.121 138 F CA -0.475 57.298 58.000 -0.377 0.000 1.183 138 F CB 0.455 39.269 39.000 -0.310 0.000 1.207 138 F HN 0.020 nan 8.300 nan 0.000 0.555 139 H N 1.580 120.733 119.070 0.139 0.000 2.431 139 H HA 0.356 4.912 4.556 0.000 0.000 0.295 139 H C 0.314 175.687 175.328 0.075 0.000 1.038 139 H CA 0.913 57.010 56.048 0.081 0.000 1.360 139 H CB 0.357 30.168 29.762 0.080 0.000 1.433 139 H HN 0.330 nan 8.280 nan 0.000 0.536 140 I N 0.455 121.143 120.570 0.197 0.000 2.865 140 I HA 0.349 4.519 4.170 0.000 0.000 0.302 140 I C -0.877 175.234 176.117 -0.010 0.000 1.140 140 I CA -0.755 60.594 61.300 0.083 0.000 1.021 140 I CB 3.393 41.436 38.000 0.073 0.000 1.233 140 I HN -0.194 nan 8.210 nan 0.000 0.427 141 I N 4.254 124.792 120.570 -0.052 0.000 2.569 141 I HA 0.450 4.620 4.170 0.000 0.000 0.290 141 I C -1.025 175.031 176.117 -0.102 0.000 1.088 141 I CA -0.961 60.269 61.300 -0.116 0.000 1.047 141 I CB 2.363 40.309 38.000 -0.090 0.000 1.237 141 I HN 0.186 nan 8.210 nan 0.000 0.421 142 V N 2.359 122.199 119.914 -0.124 0.000 2.540 142 V HA 0.552 4.672 4.120 0.000 0.000 0.302 142 V C -0.180 175.860 176.094 -0.089 0.000 1.035 142 V CA -0.655 61.581 62.300 -0.106 0.000 0.873 142 V CB 1.317 33.064 31.823 -0.127 0.000 0.992 142 V HN 0.794 nan 8.190 nan 0.000 0.428 143 C N 3.041 122.299 119.300 -0.069 0.000 2.358 143 C HA 0.936 5.396 4.460 0.000 0.000 0.354 143 C C 1.108 176.064 174.990 -0.056 0.000 1.183 143 C CA 0.436 59.425 59.018 -0.049 0.000 2.150 143 C CB 1.253 28.978 27.740 -0.024 0.000 2.361 143 C HN 1.285 nan 8.230 nan 0.000 0.535 144 G N 1.888 110.660 108.800 -0.046 0.000 5.338 144 G HA2 0.345 4.305 3.960 0.000 0.000 0.198 144 G HA3 0.345 4.305 3.960 0.000 0.000 0.198 144 G C -0.628 174.247 174.900 -0.041 0.000 0.708 144 G CA -0.202 44.866 45.100 -0.053 0.000 0.626 144 G HN 0.573 nan 8.290 nan 0.000 0.419 145 L N 0.818 122.025 121.223 -0.026 0.000 2.399 145 L HA 0.388 4.728 4.340 0.000 0.000 0.266 145 L C 0.891 177.745 176.870 -0.027 0.000 1.114 145 L CA -0.768 54.058 54.840 -0.023 0.000 0.804 145 L CB 1.379 43.432 42.059 -0.010 0.000 1.146 145 L HN 0.338 nan 8.230 nan 0.000 0.451 146 D N -0.548 119.831 120.400 -0.034 0.000 2.424 146 D HA 0.040 4.680 4.640 0.000 0.000 0.220 146 D C 0.074 176.345 176.300 -0.049 0.000 1.150 146 D CA -0.080 53.897 54.000 -0.037 0.000 0.831 146 D CB 0.417 41.194 40.800 -0.039 0.000 0.981 146 D HN 0.426 nan 8.370 nan 0.000 0.500 147 S N -1.277 114.389 115.700 -0.057 0.000 2.667 147 S HA 0.545 5.015 4.470 0.000 0.000 0.292 147 S C 0.862 175.394 174.600 -0.114 0.000 1.126 147 S CA -0.857 57.294 58.200 -0.081 0.000 0.881 147 S CB 1.230 64.389 63.200 -0.068 0.000 1.132 147 S HN -0.037 nan 8.310 nan 0.000 0.492 148 I N 0.604 121.076 120.570 -0.164 0.000 2.556 148 I HA 0.022 4.192 4.170 0.000 0.000 0.251 148 I C 2.031 178.082 176.117 -0.110 0.000 1.105 148 I CA 0.339 61.495 61.300 -0.239 0.000 1.436 148 I CB -0.495 37.277 38.000 -0.381 0.000 1.139 148 I HN 0.642 nan 8.210 nan 0.000 0.438 149 I N 1.826 122.353 120.570 -0.072 0.000 2.093 149 I HA -0.403 3.767 4.170 0.000 0.000 0.239 149 I C 2.949 179.102 176.117 0.059 0.000 1.026 149 I CA 1.900 63.199 61.300 -0.003 0.000 1.295 149 I CB -0.986 37.009 38.000 -0.008 0.000 1.007 149 I HN 0.216 nan 8.210 nan 0.000 0.401 150 A N 0.920 123.756 122.820 0.027 0.000 1.896 150 A HA -0.292 4.028 4.320 0.000 0.000 0.220 150 A C 2.447 180.106 177.584 0.124 0.000 1.206 150 A CA 2.426 54.499 52.037 0.060 0.000 0.647 150 A CB -0.886 18.114 19.000 -0.001 0.000 0.828 150 A HN 0.401 nan 8.150 nan 0.000 0.455 151 R N -0.974 119.561 120.500 0.057 0.000 2.097 151 R HA -0.174 4.166 4.340 0.000 0.000 0.236 151 R C 2.543 178.890 176.300 0.079 0.000 1.135 151 R CA 1.844 57.981 56.100 0.061 0.000 0.934 151 R CB -0.434 29.887 30.300 0.036 0.000 0.846 151 R HN 0.577 nan 8.270 nan 0.000 0.431 152 R N -0.496 120.042 120.500 0.064 0.000 2.096 152 R HA -0.235 4.105 4.340 0.000 0.000 0.240 152 R C 2.083 178.425 176.300 0.071 0.000 1.139 152 R CA 1.996 58.129 56.100 0.054 0.000 0.952 152 R CB -0.599 29.724 30.300 0.038 0.000 0.854 152 R HN 0.382 nan 8.270 nan 0.000 0.436 153 W N 1.456 122.729 121.300 -0.045 0.000 2.329 153 W HA -0.216 4.444 4.660 0.000 0.000 0.324 153 W C 2.061 178.533 176.519 -0.078 0.000 1.222 153 W CA 1.209 58.525 57.345 -0.048 0.000 1.270 153 W CB -0.359 29.082 29.460 -0.031 0.000 1.167 153 W HN -0.027 nan 8.180 nan 0.000 0.467 154 I N 1.872 122.678 120.570 0.392 0.000 2.423 154 I HA -0.311 3.859 4.170 0.000 0.000 0.254 154 I C 1.866 177.899 176.117 -0.140 0.000 1.151 154 I CA 2.248 63.625 61.300 0.129 0.000 1.421 154 I CB -1.379 36.729 38.000 0.180 0.000 1.079 154 I HN 0.247 nan 8.210 nan 0.000 0.431 155 N N 0.736 119.385 118.700 -0.084 0.000 2.188 155 N HA -0.110 4.630 4.740 0.000 0.000 0.184 155 N C 1.922 177.324 175.510 -0.180 0.000 1.018 155 N CA 1.777 54.767 53.050 -0.099 0.000 0.858 155 N CB -0.421 38.043 38.487 -0.039 0.000 0.989 155 N HN 0.330 nan 8.380 nan 0.000 0.426 156 G N 0.574 109.212 108.800 -0.269 0.000 2.505 156 G HA2 -0.254 3.707 3.960 0.000 0.000 0.214 156 G HA3 -0.254 3.707 3.960 0.000 0.000 0.214 156 G C 1.444 176.104 174.900 -0.400 0.000 1.237 156 G CA 1.063 45.968 45.100 -0.325 0.000 0.802 156 G HN 0.378 nan 8.290 nan 0.000 0.549 157 M N 0.381 119.590 119.600 -0.653 0.000 2.146 157 M HA -0.117 4.363 4.480 0.000 0.000 0.251 157 M C 2.214 178.285 176.300 -0.380 0.000 1.083 157 M CA 1.457 56.380 55.300 -0.628 0.000 1.076 157 M CB -0.511 31.508 32.600 -0.970 0.000 1.332 157 M HN 0.172 nan 8.290 nan 0.000 0.400 158 L N -1.094 119.936 121.223 -0.320 0.000 2.465 158 L HA -0.100 4.240 4.340 0.000 0.000 0.224 158 L C 1.979 178.757 176.870 -0.152 0.000 1.145 158 L CA 0.556 55.279 54.840 -0.196 0.000 0.834 158 L CB -0.369 41.602 42.059 -0.147 0.000 0.944 158 L HN 0.440 nan 8.230 nan 0.000 0.451 159 I N -1.393 119.073 120.570 -0.173 0.000 2.628 159 I HA -0.160 4.010 4.170 0.000 0.000 0.255 159 I C 2.513 178.529 176.117 -0.168 0.000 1.119 159 I CA 0.794 62.004 61.300 -0.150 0.000 1.448 159 I CB -0.044 37.879 38.000 -0.129 0.000 1.133 159 I HN 0.208 nan 8.210 nan 0.000 0.438 160 S N 1.718 117.314 115.700 -0.173 0.000 2.440 160 S HA -0.145 4.325 4.470 0.000 0.000 0.240 160 S C 1.863 176.383 174.600 -0.133 0.000 1.014 160 S CA 1.015 59.125 58.200 -0.151 0.000 0.980 160 S CB -0.817 62.294 63.200 -0.149 0.000 0.775 160 S HN 0.418 nan 8.310 nan 0.000 0.499 161 L N 0.425 121.571 121.223 -0.127 0.000 2.291 161 L HA 0.180 4.520 4.340 0.000 0.000 0.214 161 L C 0.893 177.685 176.870 -0.129 0.000 1.120 161 L CA 0.234 55.017 54.840 -0.096 0.000 0.799 161 L CB -0.779 41.240 42.059 -0.066 0.000 0.925 161 L HN 0.289 nan 8.230 nan 0.000 0.446 162 L N 1.531 122.639 121.223 -0.192 0.000 2.578 162 L HA -0.087 4.253 4.340 0.000 0.000 0.279 162 L C 0.233 176.900 176.870 -0.339 0.000 1.227 162 L CA 0.229 54.894 54.840 -0.291 0.000 0.900 162 L CB -0.160 41.637 42.059 -0.436 0.000 1.144 162 L HN 0.159 nan 8.230 nan 0.000 0.496 163 N N 2.859 121.403 118.700 -0.260 0.000 2.446 163 N HA 0.255 4.995 4.740 0.000 0.000 0.265 163 N C -1.432 174.039 175.510 -0.066 0.000 0.975 163 N CA -0.331 52.629 53.050 -0.150 0.000 0.928 163 N CB 0.622 39.078 38.487 -0.053 0.000 1.160 163 N HN 0.300 nan 8.380 nan 0.000 0.495 164 Y N 1.728 122.027 120.300 -0.002 0.000 2.434 164 Y HA 0.210 4.760 4.550 0.000 0.000 0.341 164 Y C 0.216 176.116 175.900 0.000 0.000 0.965 164 Y CA -0.913 57.187 58.100 -0.001 0.000 1.205 164 Y CB 1.102 39.561 38.460 -0.002 0.000 1.121 164 Y HN 0.332 nan 8.280 nan 0.000 0.507 165 E N 4.717 125.024 120.200 0.178 0.000 1.852 165 E HA -0.015 4.336 4.350 0.000 0.000 0.276 165 E C -0.671 175.959 176.600 0.050 0.000 1.163 165 E CA 0.166 56.618 56.400 0.087 0.000 1.117 165 E CB -0.170 29.568 29.700 0.064 0.000 1.124 165 E HN 0.717 nan 8.360 nan 0.000 0.458 166 D N 1.935 122.361 120.400 0.044 0.000 2.812 166 D HA -0.206 4.434 4.640 0.000 0.000 0.237 166 D C 1.032 177.312 176.300 -0.035 0.000 1.162 166 D CA 1.219 55.223 54.000 0.007 0.000 0.740 166 D CB -0.964 39.839 40.800 0.005 0.000 1.000 166 D HN 0.828 nan 8.370 nan 0.000 0.416 167 G N -1.735 107.012 108.800 -0.088 0.000 2.347 167 G HA2 -0.364 3.596 3.960 0.000 0.000 0.247 167 G HA3 -0.364 3.596 3.960 0.000 0.000 0.247 167 G C 0.483 175.236 174.900 -0.245 0.000 1.037 167 G CA 0.309 45.290 45.100 -0.198 0.000 0.622 167 G HN 0.634 nan 8.290 nan 0.000 0.521 168 V N 2.172 122.025 119.914 -0.100 0.000 2.465 168 V HA 0.627 4.747 4.120 0.000 0.000 0.279 168 V C 0.557 176.710 176.094 0.098 0.000 1.045 168 V CA -0.497 61.783 62.300 -0.033 0.000 0.938 168 V CB 1.588 33.415 31.823 0.007 0.000 0.986 168 V HN 0.529 nan 8.190 nan 0.000 0.467 169 L N 4.432 125.748 121.223 0.157 0.000 2.319 169 L HA 0.427 4.767 4.340 0.000 0.000 0.280 169 L C 0.050 177.025 176.870 0.174 0.000 1.099 169 L CA 0.071 55.128 54.840 0.361 0.000 0.828 169 L CB 0.869 43.168 42.059 0.400 0.000 1.150 169 L HN 0.705 nan 8.230 nan 0.000 0.442 170 D N 7.589 128.071 120.400 0.136 0.000 2.338 170 D HA 0.164 4.804 4.640 0.000 0.000 0.255 170 D C -1.557 174.771 176.300 0.045 0.000 1.237 170 D CA -1.856 52.184 54.000 0.067 0.000 0.883 170 D CB 1.227 42.053 40.800 0.043 0.000 1.087 170 D HN 0.433 nan 8.370 nan 0.000 0.485 171 P HA -0.210 nan 4.420 nan 0.000 0.216 171 P C 0.574 177.886 177.300 0.020 0.000 1.154 171 P CA 1.091 64.210 63.100 0.032 0.000 0.865 171 P CB -0.097 31.621 31.700 0.029 0.000 0.789 172 S N -1.030 114.680 115.700 0.017 0.000 2.859 172 S HA 0.158 4.628 4.470 0.000 0.000 0.245 172 S C 1.163 175.767 174.600 0.008 0.000 1.008 172 S CA 0.219 58.427 58.200 0.013 0.000 1.089 172 S CB -1.206 62.002 63.200 0.013 0.000 0.798 172 S HN 0.320 nan 8.310 nan 0.000 0.477 173 S N 0.134 115.832 115.700 -0.003 0.000 2.847 173 S HA 0.390 4.860 4.470 0.000 0.000 0.254 173 S C 0.036 174.615 174.600 -0.035 0.000 1.039 173 S CA -0.731 57.454 58.200 -0.025 0.000 1.113 173 S CB -0.382 62.788 63.200 -0.050 0.000 1.092 173 S HN 0.545 nan 8.310 nan 0.000 0.620 174 I N 1.893 122.455 120.570 -0.014 0.000 2.354 174 I HA 0.558 4.728 4.170 0.000 0.000 0.292 174 I C -0.866 175.254 176.117 0.004 0.000 0.989 174 I CA -1.223 60.069 61.300 -0.014 0.000 1.188 174 I CB 1.863 39.861 38.000 -0.002 0.000 1.342 174 I HN -0.119 nan 8.210 nan 0.000 0.457 175 V N 7.570 127.484 119.914 -0.000 0.000 2.313 175 V HA 0.287 4.407 4.120 0.000 0.000 0.278 175 V C -2.190 173.908 176.094 0.008 0.000 1.017 175 V CA -1.806 60.507 62.300 0.021 0.000 0.823 175 V CB 1.201 33.040 31.823 0.027 0.000 1.010 175 V HN 0.595 nan 8.190 nan 0.000 0.443 176 P HA 0.063 nan 4.420 nan 0.000 0.261 176 P C -0.749 176.543 177.300 -0.014 0.000 1.183 176 P CA 0.013 63.112 63.100 -0.002 0.000 0.761 176 P CB 0.403 32.106 31.700 0.004 0.000 0.785 177 L N 5.922 127.129 121.223 -0.027 0.000 2.318 177 L HA 0.474 4.814 4.340 0.000 0.000 0.277 177 L C -1.151 175.691 176.870 -0.048 0.000 1.008 177 L CA -0.454 54.363 54.840 -0.038 0.000 0.846 177 L CB 0.494 42.530 42.059 -0.039 0.000 1.220 177 L HN 0.105 nan 8.230 nan 0.000 0.423 178 I N 4.284 124.818 120.570 -0.061 0.000 2.331 178 I HA 0.396 4.566 4.170 0.000 0.000 0.292 178 I C -0.116 175.952 176.117 -0.082 0.000 0.998 178 I CA 0.019 61.273 61.300 -0.078 0.000 1.267 178 I CB 1.462 39.411 38.000 -0.086 0.000 1.386 178 I HN 0.653 nan 8.210 nan 0.000 0.476 179 D N 3.935 124.279 120.400 -0.093 0.000 2.252 179 D HA 0.733 5.373 4.640 0.000 0.000 0.245 179 D C -0.349 175.884 176.300 -0.112 0.000 1.009 179 D CA -0.521 53.430 54.000 -0.082 0.000 0.870 179 D CB 1.564 42.335 40.800 -0.048 0.000 1.251 179 D HN 0.657 nan 8.370 nan 0.000 0.460 180 G N 0.644 109.392 108.800 -0.088 0.000 2.495 180 G HA2 0.642 4.602 3.960 0.000 0.000 0.318 180 G HA3 0.642 4.602 3.960 0.000 0.000 0.318 180 G C -0.663 174.202 174.900 -0.059 0.000 1.257 180 G CA -0.831 44.210 45.100 -0.098 0.000 0.962 180 G HN 0.575 nan 8.290 nan 0.000 0.483 181 G N -0.447 108.318 108.800 -0.059 0.000 2.638 181 G HA2 0.645 4.605 3.960 0.000 0.000 0.302 181 G HA3 0.645 4.605 3.960 0.000 0.000 0.302 181 G C -1.079 173.817 174.900 -0.007 0.000 1.365 181 G CA -0.330 44.768 45.100 -0.003 0.000 0.987 181 G HN 0.681 nan 8.290 nan 0.000 0.495 182 T N -0.120 114.439 114.554 0.008 0.000 2.864 182 T HA 0.722 5.073 4.350 0.000 0.000 0.299 182 T C -1.369 173.343 174.700 0.021 0.000 1.166 182 T CA -0.478 61.624 62.100 0.004 0.000 1.007 182 T CB 2.181 71.028 68.868 -0.035 0.000 1.219 182 T HN 0.633 nan 8.240 nan 0.000 0.506 183 E N 0.794 121.006 120.200 0.020 0.000 2.749 183 E HA 0.413 4.763 4.350 0.000 0.000 0.360 183 E C 0.190 176.798 176.600 0.013 0.000 1.037 183 E CA 0.433 56.845 56.400 0.020 0.000 0.684 183 E CB -0.322 29.413 29.700 0.058 0.000 1.422 183 E HN 1.075 nan 8.360 nan 0.000 0.407 184 G N 2.765 111.528 108.800 -0.062 0.000 2.531 184 G HA2 -0.376 3.584 3.960 0.000 0.000 0.274 184 G HA3 -0.376 3.584 3.960 0.000 0.000 0.274 184 G C 0.275 175.049 174.900 -0.211 0.000 1.159 184 G CA 0.401 45.415 45.100 -0.143 0.000 0.969 184 G HN 0.468 nan 8.290 nan 0.000 0.554 185 F N 2.379 122.383 119.950 0.091 0.000 2.765 185 F HA 0.338 4.865 4.527 0.000 0.000 0.302 185 F C 1.606 177.519 175.800 0.189 0.000 1.111 185 F CA 0.704 58.784 58.000 0.133 0.000 1.359 185 F CB 0.319 39.377 39.000 0.096 0.000 1.097 185 F HN 0.074 nan 8.300 nan 0.000 0.577 186 K N 0.024 120.594 120.400 0.282 0.000 2.098 186 K HA 0.677 4.997 4.320 0.000 0.000 0.258 186 K C 0.135 176.871 176.600 0.227 0.000 0.973 186 K CA -0.501 55.938 56.287 0.254 0.000 0.898 186 K CB 1.603 34.210 32.500 0.177 0.000 1.057 186 K HN 0.085 nan 8.250 nan 0.000 0.447 187 G N 1.001 109.950 108.800 0.249 0.000 2.677 187 G HA2 0.398 4.358 3.960 0.000 0.000 0.291 187 G HA3 0.398 4.358 3.960 0.000 0.000 0.291 187 G C -1.886 173.069 174.900 0.091 0.000 1.435 187 G CA -0.767 44.412 45.100 0.132 0.000 0.826 187 G HN 0.705 nan 8.290 nan 0.000 0.491 188 N N -0.947 117.742 118.700 -0.017 0.000 2.405 188 N HA 0.690 5.430 4.740 0.000 0.000 0.274 188 N C -1.143 174.216 175.510 -0.250 0.000 1.170 188 N CA -0.494 52.476 53.050 -0.133 0.000 0.848 188 N CB 2.217 40.626 38.487 -0.131 0.000 1.629 188 N HN 1.130 nan 8.380 nan 0.000 0.481 189 A N 1.229 123.821 122.820 -0.380 0.000 2.449 189 A HA 0.848 5.168 4.320 0.000 0.000 0.302 189 A C -0.644 176.637 177.584 -0.505 0.000 1.048 189 A CA -0.817 51.010 52.037 -0.349 0.000 0.708 189 A CB 1.771 20.625 19.000 -0.242 0.000 1.274 189 A HN 0.885 nan 8.150 nan 0.000 0.410 190 R N 0.656 120.920 120.500 -0.393 0.000 2.774 190 R HA 0.811 5.151 4.340 0.000 0.000 0.272 190 R C -2.009 174.179 176.300 -0.186 0.000 1.000 190 R CA -0.677 55.210 56.100 -0.356 0.000 0.906 190 R CB 1.491 31.562 30.300 -0.382 0.000 1.227 190 R HN 0.383 nan 8.270 nan 0.000 0.468 191 V N 2.669 122.504 119.914 -0.131 0.000 2.555 191 V HA 0.564 4.684 4.120 0.000 0.000 0.302 191 V C -0.155 175.911 176.094 -0.046 0.000 1.038 191 V CA -0.718 61.534 62.300 -0.080 0.000 0.887 191 V CB 1.792 33.575 31.823 -0.067 0.000 0.991 191 V HN 0.605 nan 8.190 nan 0.000 0.434 192 I N 5.042 125.592 120.570 -0.034 0.000 2.647 192 I HA 0.486 4.656 4.170 0.000 0.000 0.295 192 I C -0.907 175.202 176.117 -0.013 0.000 1.078 192 I CA -0.587 60.703 61.300 -0.016 0.000 1.048 192 I CB 2.415 40.406 38.000 -0.014 0.000 1.239 192 I HN 0.376 nan 8.210 nan 0.000 0.421 193 L N 6.899 128.121 121.223 -0.002 0.000 2.594 193 L HA 0.313 4.653 4.340 0.000 0.000 0.245 193 L C -2.332 174.541 176.870 0.004 0.000 1.460 193 L CA -1.548 53.292 54.840 0.000 0.000 0.865 193 L CB 0.885 42.948 42.059 0.007 0.000 1.131 193 L HN 0.293 nan 8.230 nan 0.000 0.506 194 P HA -0.139 nan 4.420 nan 0.000 0.255 194 P C 0.905 178.208 177.300 0.004 0.000 1.132 194 P CA 1.535 64.628 63.100 -0.012 0.000 0.766 194 P CB 0.465 32.139 31.700 -0.043 0.000 0.715 195 G N 2.498 111.319 108.800 0.036 0.000 2.131 195 G HA2 -0.226 3.734 3.960 0.000 0.000 0.201 195 G HA3 -0.226 3.734 3.960 0.000 0.000 0.201 195 G C 0.205 175.157 174.900 0.087 0.000 1.000 195 G CA 0.328 45.482 45.100 0.089 0.000 0.680 195 G HN 0.516 nan 8.290 nan 0.000 0.514 196 M N -1.968 117.666 119.600 0.058 0.000 1.528 196 M HA 0.102 4.582 4.480 0.000 0.000 0.169 196 M C 0.692 177.018 176.300 0.042 0.000 1.321 196 M CA 0.629 55.959 55.300 0.050 0.000 0.724 196 M CB 0.328 32.954 32.600 0.045 0.000 1.626 196 M HN 0.073 nan 8.290 nan 0.000 0.623 197 T N 1.744 116.319 114.554 0.035 0.000 2.899 197 T HA 0.581 4.931 4.350 0.000 0.000 0.284 197 T C -0.145 174.578 174.700 0.039 0.000 1.004 197 T CA -0.304 61.817 62.100 0.035 0.000 1.043 197 T CB 1.331 70.213 68.868 0.024 0.000 1.013 197 T HN 0.343 nan 8.240 nan 0.000 0.518 198 A N 1.153 124.002 122.820 0.048 0.000 2.520 198 A HA 0.338 4.658 4.320 0.000 0.000 0.245 198 A C 1.173 178.787 177.584 0.050 0.000 1.072 198 A CA -0.681 51.389 52.037 0.054 0.000 0.761 198 A CB -0.860 18.183 19.000 0.072 0.000 1.004 198 A HN 1.108 nan 8.150 nan 0.000 0.499 199 C N 2.509 121.835 119.300 0.044 0.000 2.694 199 C HA 0.501 4.961 4.460 0.000 0.000 0.324 199 C C 1.795 176.820 174.990 0.058 0.000 1.813 199 C CA -0.572 58.468 59.018 0.035 0.000 2.009 199 C CB -0.410 27.341 27.740 0.018 0.000 1.939 199 C HN 0.725 nan 8.230 nan 0.000 0.551 200 I N 0.357 120.960 120.570 0.055 0.000 2.406 200 I HA -0.039 4.131 4.170 0.000 0.000 0.249 200 I C 2.554 178.734 176.117 0.105 0.000 1.122 200 I CA 1.586 62.944 61.300 0.097 0.000 1.431 200 I CB -1.552 36.500 38.000 0.087 0.000 1.087 200 I HN 0.803 nan 8.210 nan 0.000 0.424 201 E N 0.292 120.529 120.200 0.062 0.000 2.268 201 E HA -0.129 4.221 4.350 0.000 0.000 0.195 201 E C 2.324 178.955 176.600 0.051 0.000 0.995 201 E CA 0.797 57.226 56.400 0.049 0.000 0.836 201 E CB -0.047 29.662 29.700 0.016 0.000 0.763 201 E HN 0.417 nan 8.360 nan 0.000 0.491 202 C N -0.324 119.008 119.300 0.054 0.000 2.548 202 C HA -0.096 4.364 4.460 0.000 0.000 0.284 202 C C 2.101 177.126 174.990 0.058 0.000 1.252 202 C CA 1.486 60.535 59.018 0.051 0.000 1.725 202 C CB -1.245 26.527 27.740 0.053 0.000 2.098 202 C HN 0.536 nan 8.230 nan 0.000 0.471 203 T N 0.251 114.850 114.554 0.075 0.000 3.535 203 T HA 0.155 4.505 4.350 0.000 0.000 0.238 203 T C 0.875 175.625 174.700 0.084 0.000 0.909 203 T CA 0.021 62.160 62.100 0.065 0.000 0.928 203 T CB -0.439 68.474 68.868 0.075 0.000 1.134 203 T HN 0.288 nan 8.240 nan 0.000 0.627 204 L N 1.000 122.289 121.223 0.110 0.000 2.201 204 L HA 0.157 4.497 4.340 0.000 0.000 0.212 204 L C 1.982 178.966 176.870 0.190 0.000 1.105 204 L CA 1.581 56.532 54.840 0.184 0.000 0.775 204 L CB -0.456 41.674 42.059 0.119 0.000 0.913 204 L HN 0.354 nan 8.230 nan 0.000 0.440 205 E N -0.755 119.501 120.200 0.093 0.000 2.489 205 E HA -0.010 4.340 4.350 0.000 0.000 0.193 205 E C 1.924 178.548 176.600 0.040 0.000 1.057 205 E CA 0.011 56.455 56.400 0.073 0.000 0.866 205 E CB -0.005 29.717 29.700 0.037 0.000 0.916 205 E HN 0.520 nan 8.360 nan 0.000 0.500 206 L N 0.374 121.583 121.223 -0.023 0.000 2.465 206 L HA -0.037 4.303 4.340 0.000 0.000 0.224 206 L C 0.388 177.177 176.870 -0.134 0.000 1.145 206 L CA 0.444 55.222 54.840 -0.103 0.000 0.834 206 L CB -0.152 41.804 42.059 -0.171 0.000 0.944 206 L HN 0.150 nan 8.230 nan 0.000 0.451 207 Y N 0.508 120.849 120.300 0.068 0.000 2.319 207 Y HA 0.178 4.728 4.550 0.000 0.000 0.328 207 Y C -1.494 174.435 175.900 0.048 0.000 1.133 207 Y CA -2.275 55.863 58.100 0.063 0.000 1.265 207 Y CB 0.023 38.513 38.460 0.050 0.000 1.218 207 Y HN -0.044 nan 8.280 nan 0.000 0.508 208 P HA 0.096 nan 4.420 nan 0.000 0.271 208 P C -2.579 174.789 177.300 0.114 0.000 1.244 208 P CA -0.991 62.186 63.100 0.129 0.000 0.793 208 P CB -0.034 31.736 31.700 0.117 0.000 0.984 209 P HA 0.185 nan 4.420 nan 0.000 0.293 209 P C -0.921 176.411 177.300 0.053 0.000 1.313 209 P CA -0.499 62.639 63.100 0.063 0.000 0.787 209 P CB 0.303 32.037 31.700 0.056 0.000 0.910 210 Q N 1.738 121.559 119.800 0.034 0.000 2.262 210 Q HA 0.176 4.516 4.340 0.000 0.000 0.272 210 Q C -0.500 175.507 176.000 0.011 0.000 1.076 210 Q CA -0.604 55.206 55.803 0.011 0.000 0.905 210 Q CB 0.100 28.829 28.738 -0.016 0.000 1.182 210 Q HN 0.147 nan 8.270 nan 0.000 0.390 211 V N 4.112 124.035 119.914 0.016 0.000 2.420 211 V HA -0.071 4.049 4.120 0.000 0.000 0.274 211 V C 0.136 176.209 176.094 -0.034 0.000 1.003 211 V CA 0.386 62.715 62.300 0.047 0.000 1.092 211 V CB -0.816 31.065 31.823 0.097 0.000 1.002 211 V HN 0.841 nan 8.190 nan 0.000 0.473 212 N N 4.875 123.598 118.700 0.038 0.000 2.443 212 N HA 0.442 5.182 4.740 0.000 0.000 0.269 212 N C -0.612 175.014 175.510 0.194 0.000 0.985 212 N CA -0.622 52.429 53.050 0.002 0.000 0.921 212 N CB 0.887 39.377 38.487 0.006 0.000 1.195 212 N HN 0.564 nan 8.380 nan 0.000 0.492 213 F N 2.929 122.897 119.950 0.029 0.000 2.504 213 F HA 0.206 4.733 4.527 0.000 0.000 0.369 213 F C -1.586 174.200 175.800 -0.024 0.000 1.082 213 F CA -1.895 56.106 58.000 0.002 0.000 1.216 213 F CB 0.520 39.524 39.000 0.007 0.000 1.108 213 F HN 0.241 nan 8.300 nan 0.000 0.554 214 P HA 0.034 nan 4.420 nan 0.000 0.276 214 P C 0.738 178.059 177.300 0.036 0.000 1.264 214 P CA -0.063 63.072 63.100 0.059 0.000 0.769 214 P CB 0.791 32.502 31.700 0.019 0.000 0.840 215 M N 3.634 123.267 119.600 0.055 0.000 2.192 215 M HA -0.332 4.148 4.480 0.000 0.000 0.256 215 M C 1.643 177.958 176.300 0.024 0.000 1.076 215 M CA 2.366 57.699 55.300 0.055 0.000 1.075 215 M CB -0.342 32.293 32.600 0.058 0.000 1.368 215 M HN 0.446 nan 8.290 nan 0.000 0.406 216 A N 0.328 123.151 122.820 0.005 0.000 1.859 216 A HA -0.302 4.018 4.320 0.000 0.000 0.218 216 A C 2.173 179.726 177.584 -0.052 0.000 1.209 216 A CA 3.321 55.350 52.037 -0.012 0.000 0.639 216 A CB -1.777 17.215 19.000 -0.013 0.000 0.835 216 A HN 0.727 nan 8.150 nan 0.000 0.450 217 T N -1.458 113.031 114.554 -0.108 0.000 2.803 217 T HA -0.098 4.252 4.350 0.000 0.000 0.269 217 T C 1.743 176.294 174.700 -0.249 0.000 1.052 217 T CA 1.599 63.578 62.100 -0.202 0.000 1.136 217 T CB -0.721 67.947 68.868 -0.335 0.000 0.864 217 T HN 0.389 nan 8.240 nan 0.000 0.467 218 I N 1.150 121.613 120.570 -0.179 0.000 2.493 218 I HA 0.003 4.173 4.170 0.000 0.000 0.254 218 I C 2.855 178.938 176.117 -0.057 0.000 1.160 218 I CA 1.210 62.460 61.300 -0.083 0.000 1.445 218 I CB -0.340 37.714 38.000 0.091 0.000 1.086 218 I HN 0.436 nan 8.210 nan 0.000 0.433 219 A N -1.119 121.675 122.820 -0.043 0.000 2.127 219 A HA 0.142 4.462 4.320 0.000 0.000 0.204 219 A C 2.198 179.723 177.584 -0.099 0.000 1.243 219 A CA 0.330 52.340 52.037 -0.045 0.000 0.887 219 A CB 0.111 19.185 19.000 0.124 0.000 0.933 219 A HN 0.232 nan 8.150 nan 0.000 0.479 220 S N -0.105 115.551 115.700 -0.074 0.000 2.510 220 S HA 0.221 4.691 4.470 0.000 0.000 0.230 220 S C 0.783 175.371 174.600 -0.019 0.000 1.066 220 S CA 0.833 59.021 58.200 -0.021 0.000 0.941 220 S CB 0.004 63.203 63.200 -0.002 0.000 0.829 220 S HN 0.657 nan 8.310 nan 0.000 0.530 221 M N 0.945 120.488 119.600 -0.094 0.000 1.949 221 M HA 0.534 5.014 4.480 0.000 0.000 0.234 221 M C -3.512 172.693 176.300 -0.158 0.000 0.855 221 M CA -1.850 53.405 55.300 -0.075 0.000 0.800 221 M CB 1.464 34.046 32.600 -0.029 0.000 1.697 221 M HN -0.240 nan 8.290 nan 0.000 0.357 222 P HA 0.451 nan 4.420 nan 0.000 0.276 222 P C -0.327 176.968 177.300 -0.008 0.000 1.244 222 P CA -0.294 62.694 63.100 -0.187 0.000 0.801 222 P CB 1.057 32.499 31.700 -0.430 0.000 1.006 223 R N 0.360 120.952 120.500 0.154 0.000 2.769 223 R HA 0.291 4.631 4.340 0.000 0.000 0.191 223 R C 0.055 176.309 176.300 -0.077 0.000 0.881 223 R CA -0.082 56.045 56.100 0.046 0.000 1.133 223 R CB 0.058 30.396 30.300 0.064 0.000 1.607 223 R HN 0.278 nan 8.270 nan 0.000 0.613 224 L N 1.810 122.861 121.223 -0.287 0.000 2.334 224 L HA 0.436 4.776 4.340 0.000 0.000 0.272 224 L C -1.941 174.780 176.870 -0.247 0.000 1.020 224 L CA -2.358 52.260 54.840 -0.370 0.000 0.812 224 L CB 1.354 43.023 42.059 -0.650 0.000 1.264 224 L HN -0.289 nan 8.230 nan 0.000 0.439 225 P HA -0.160 nan 4.420 nan 0.000 0.218 225 P C 0.855 178.149 177.300 -0.010 0.000 1.146 225 P CA 1.085 64.162 63.100 -0.038 0.000 0.813 225 P CB 0.341 32.041 31.700 0.000 0.000 0.778 226 E N -1.424 118.744 120.200 -0.054 0.000 2.058 226 E HA -0.209 4.141 4.350 0.000 0.000 0.194 226 E C 1.867 178.592 176.600 0.208 0.000 0.997 226 E CA 1.254 57.709 56.400 0.092 0.000 0.801 226 E CB -0.948 28.838 29.700 0.143 0.000 0.746 226 E HN 0.529 nan 8.360 nan 0.000 0.450 227 H N -1.276 117.788 119.070 -0.010 0.000 2.457 227 H HA -0.095 4.461 4.556 0.000 0.000 0.297 227 H C 1.793 177.129 175.328 0.012 0.000 1.092 227 H CA 0.698 56.715 56.048 -0.052 0.000 1.309 227 H CB 0.005 29.633 29.762 -0.223 0.000 1.382 227 H HN 0.228 nan 8.280 nan 0.000 0.535 228 C N 0.275 119.641 119.300 0.110 0.000 2.543 228 C HA -0.067 4.393 4.460 0.000 0.000 0.281 228 C C 2.697 177.787 174.990 0.166 0.000 1.276 228 C CA 0.280 59.341 59.018 0.071 0.000 1.700 228 C CB -0.656 27.093 27.740 0.014 0.000 2.093 228 C HN 0.481 nan 8.230 nan 0.000 0.488 229 I N 1.198 121.856 120.570 0.147 0.000 2.069 229 I HA -0.253 3.917 4.170 0.000 0.000 0.237 229 I C 2.608 178.833 176.117 0.180 0.000 1.053 229 I CA 2.088 63.478 61.300 0.151 0.000 1.311 229 I CB -0.819 37.262 38.000 0.135 0.000 1.030 229 I HN 0.307 nan 8.210 nan 0.000 0.398 230 E N 0.453 120.787 120.200 0.224 0.000 2.233 230 E HA -0.303 4.047 4.350 0.000 0.000 0.199 230 E C 1.880 178.606 176.600 0.210 0.000 1.004 230 E CA 1.631 58.164 56.400 0.222 0.000 0.819 230 E CB -0.378 29.549 29.700 0.378 0.000 0.738 230 E HN 0.584 nan 8.360 nan 0.000 0.478 231 Y N -0.471 119.891 120.300 0.104 0.000 2.138 231 Y HA -0.064 4.486 4.550 0.000 0.000 0.286 231 Y C 2.019 177.975 175.900 0.094 0.000 1.115 231 Y CA 1.529 59.674 58.100 0.074 0.000 1.105 231 Y CB -0.522 37.953 38.460 0.025 0.000 1.004 231 Y HN -0.086 nan 8.280 nan 0.000 0.494 232 V N 2.221 122.203 119.914 0.114 0.000 2.944 232 V HA -0.281 3.839 4.120 0.000 0.000 0.265 232 V C 2.314 178.476 176.094 0.112 0.000 1.125 232 V CA 2.279 64.598 62.300 0.031 0.000 1.145 232 V CB -0.943 30.913 31.823 0.055 0.000 0.725 232 V HN 0.470 nan 8.190 nan 0.000 0.510 233 R N -0.365 120.180 120.500 0.075 0.000 2.076 233 R HA 0.135 4.475 4.340 0.000 0.000 0.203 233 R C 2.264 178.580 176.300 0.028 0.000 1.229 233 R CA 0.616 56.760 56.100 0.073 0.000 1.094 233 R CB -0.257 30.059 30.300 0.026 0.000 0.991 233 R HN 0.374 nan 8.270 nan 0.000 0.471 234 M N 0.718 120.321 119.600 0.004 0.000 2.446 234 M HA -0.062 4.418 4.480 0.000 0.000 0.263 234 M C 0.755 177.044 176.300 -0.018 0.000 1.066 234 M CA 1.532 56.831 55.300 -0.001 0.000 1.087 234 M CB 0.308 32.922 32.600 0.024 0.000 1.406 234 M HN 0.350 nan 8.290 nan 0.000 0.459 235 L N -2.705 118.455 121.223 -0.105 0.000 2.678 235 L HA 0.055 4.395 4.340 0.000 0.000 0.187 235 L C 2.118 178.907 176.870 -0.134 0.000 1.073 235 L CA 0.071 54.820 54.840 -0.151 0.000 0.883 235 L CB -0.714 41.181 42.059 -0.273 0.000 1.501 235 L HN 0.069 nan 8.230 nan 0.000 0.488 236 Q N 0.286 119.902 119.800 -0.307 0.000 2.197 236 Q HA -0.263 4.077 4.340 0.000 0.000 0.207 236 Q C 2.013 178.163 176.000 0.251 0.000 0.984 236 Q CA 2.269 58.034 55.803 -0.063 0.000 0.869 236 Q CB -0.069 28.614 28.738 -0.091 0.000 0.906 236 Q HN 0.596 nan 8.270 nan 0.000 0.426 237 W N 1.010 122.392 121.300 0.135 0.000 2.408 237 W HA -0.005 4.655 4.660 0.000 0.000 0.311 237 W C -1.211 175.310 176.519 0.003 0.000 1.190 237 W CA 0.999 58.422 57.345 0.130 0.000 1.321 237 W CB -1.405 28.135 29.460 0.132 0.000 1.143 237 W HN 0.112 nan 8.180 nan 0.000 0.501 238 P HA -0.183 nan 4.420 nan 0.000 0.221 238 P C 1.334 178.672 177.300 0.064 0.000 1.145 238 P CA 2.294 65.521 63.100 0.211 0.000 0.795 238 P CB -0.110 31.686 31.700 0.160 0.000 0.775 239 K N 1.215 121.643 120.400 0.046 0.000 1.992 239 K HA -0.092 4.228 4.320 0.000 0.000 0.210 239 K C 1.169 177.750 176.600 -0.033 0.000 1.036 239 K CA 1.253 57.548 56.287 0.013 0.000 0.946 239 K CB -0.708 31.809 32.500 0.028 0.000 0.742 239 K HN 0.110 nan 8.250 nan 0.000 0.442 240 E N 2.080 122.255 120.200 -0.042 0.000 2.422 240 E HA 0.028 4.378 4.350 0.000 0.000 0.267 240 E C -0.775 175.657 176.600 -0.281 0.000 1.466 240 E CA -0.273 56.066 56.400 -0.102 0.000 1.767 240 E CB -0.270 29.418 29.700 -0.020 0.000 1.471 240 E HN 0.121 nan 8.360 nan 0.000 0.446 241 Q N 0.469 120.070 119.800 -0.332 0.000 2.524 241 Q HA -0.176 4.164 4.340 0.000 0.000 0.241 241 Q C -1.591 173.969 176.000 -0.733 0.000 1.234 241 Q CA 0.295 55.787 55.803 -0.518 0.000 0.852 241 Q CB -0.456 28.106 28.738 -0.293 0.000 0.965 241 Q HN 0.454 nan 8.270 nan 0.000 0.331 242 P HA -0.188 nan 4.420 nan 0.000 0.216 242 P C 0.123 176.666 177.300 -1.262 0.000 1.167 242 P CA 1.498 63.639 63.100 -1.599 0.000 0.914 242 P CB 0.105 30.211 31.700 -2.656 0.000 0.793 243 F N -0.883 118.531 119.950 -0.893 0.000 2.389 243 F HA 0.562 5.089 4.527 0.000 0.000 0.327 243 F C 1.066 176.697 175.800 -0.282 0.000 1.204 243 F CA -0.290 57.452 58.000 -0.430 0.000 1.209 243 F CB 0.215 39.083 39.000 -0.221 0.000 1.460 243 F HN -0.012 nan 8.300 nan 0.000 0.537 244 G N 0.990 109.688 108.800 -0.170 0.000 2.733 244 G HA2 -0.189 3.771 3.960 0.000 0.000 0.686 244 G HA3 -0.189 3.771 3.960 0.000 0.000 0.686 244 G C -0.495 174.333 174.900 -0.121 0.000 1.373 244 G CA -1.124 43.913 45.100 -0.105 0.000 0.838 244 G HN 0.416 nan 8.290 nan 0.000 0.588 245 E N 0.102 120.250 120.200 -0.086 0.000 2.392 245 E HA 0.428 4.778 4.350 0.000 0.000 0.259 245 E C 1.561 178.145 176.600 -0.026 0.000 1.108 245 E CA 0.675 57.033 56.400 -0.069 0.000 0.916 245 E CB 0.692 30.362 29.700 -0.051 0.000 0.989 245 E HN 2.076 nan 8.360 nan 0.000 0.432 246 G N 0.957 109.753 108.800 -0.007 0.000 2.451 246 G HA2 -0.351 3.609 3.960 0.000 0.000 0.253 246 G HA3 -0.351 3.609 3.960 0.000 0.000 0.253 246 G C 0.489 175.429 174.900 0.067 0.000 1.033 246 G CA 0.476 45.593 45.100 0.028 0.000 0.633 246 G HN 0.430 nan 8.290 nan 0.000 0.537 247 V N 3.461 123.417 119.914 0.070 0.000 2.509 247 V HA 0.299 4.419 4.120 0.000 0.000 0.297 247 V C -0.920 175.343 176.094 0.282 0.000 1.014 247 V CA -0.320 62.064 62.300 0.140 0.000 1.127 247 V CB 0.636 32.538 31.823 0.132 0.000 0.925 247 V HN 0.279 nan 8.190 nan 0.000 0.480 248 P HA 0.234 nan 4.420 nan 0.000 0.274 248 P C -0.603 176.826 177.300 0.215 0.000 1.256 248 P CA -0.713 62.524 63.100 0.228 0.000 0.795 248 P CB 0.496 32.251 31.700 0.091 0.000 1.038 249 L N 1.679 122.753 121.223 -0.249 0.000 2.312 249 L HA 0.264 4.604 4.340 0.000 0.000 0.287 249 L C -0.383 176.343 176.870 -0.239 0.000 1.091 249 L CA -0.243 54.096 54.840 -0.835 0.000 0.846 249 L CB -1.063 40.131 42.059 -1.442 0.000 1.219 249 L HN 0.166 nan 8.230 nan 0.000 0.439 250 D N 3.296 123.796 120.400 0.167 0.000 2.435 250 D HA 0.237 4.877 4.640 0.000 0.000 0.230 250 D C 1.528 177.806 176.300 -0.037 0.000 1.215 250 D CA 0.638 54.646 54.000 0.013 0.000 0.947 250 D CB 0.970 41.685 40.800 -0.143 0.000 1.048 250 D HN 0.731 nan 8.370 nan 0.000 0.512 251 G N 3.270 112.022 108.800 -0.080 0.000 2.562 251 G HA2 -0.305 3.655 3.960 0.000 0.000 0.223 251 G HA3 -0.305 3.655 3.960 0.000 0.000 0.223 251 G C 1.115 175.975 174.900 -0.066 0.000 1.102 251 G CA 0.632 45.686 45.100 -0.077 0.000 0.742 251 G HN 0.548 nan 8.290 nan 0.000 0.587 252 D N 0.039 120.389 120.400 -0.083 0.000 2.333 252 D HA -0.023 4.617 4.640 0.000 0.000 0.208 252 D C 0.333 176.578 176.300 -0.091 0.000 0.984 252 D CA 0.078 54.033 54.000 -0.076 0.000 0.873 252 D CB 0.172 40.927 40.800 -0.074 0.000 0.935 252 D HN 0.219 nan 8.370 nan 0.000 0.521 253 D N 1.521 121.816 120.400 -0.175 0.000 2.383 253 D HA 0.027 4.667 4.640 0.000 0.000 0.245 253 D C -1.606 174.634 176.300 -0.101 0.000 1.263 253 D CA -1.940 51.903 54.000 -0.262 0.000 0.936 253 D CB 1.803 42.181 40.800 -0.704 0.000 1.053 253 D HN -0.119 nan 8.370 nan 0.000 0.507 254 P HA -0.242 nan 4.420 nan 0.000 0.219 254 P C 0.944 178.381 177.300 0.229 0.000 1.159 254 P CA 1.597 64.787 63.100 0.149 0.000 0.944 254 P CB 0.208 31.969 31.700 0.102 0.000 0.792 255 E N -2.103 118.200 120.200 0.172 0.000 2.187 255 E HA -0.263 4.087 4.350 0.000 0.000 0.199 255 E C 1.997 178.942 176.600 0.575 0.000 1.004 255 E CA 1.117 57.714 56.400 0.328 0.000 0.813 255 E CB -0.502 29.356 29.700 0.263 0.000 0.736 255 E HN 0.578 nan 8.360 nan 0.000 0.468 256 H N -0.078 119.125 119.070 0.223 0.000 2.307 256 H HA -0.032 4.524 4.556 0.000 0.000 0.303 256 H C 2.339 177.968 175.328 0.501 0.000 1.073 256 H CA 0.895 57.171 56.048 0.379 0.000 1.338 256 H CB 0.104 29.901 29.762 0.059 0.000 1.389 256 H HN 0.100 nan 8.280 nan 0.000 0.503 257 I N 0.767 121.614 120.570 0.462 0.000 2.179 257 I HA -0.274 3.896 4.170 0.000 0.000 0.242 257 I C 2.704 179.163 176.117 0.571 0.000 1.088 257 I CA 1.076 62.602 61.300 0.377 0.000 1.357 257 I CB -0.228 37.872 38.000 0.166 0.000 1.051 257 I HN 0.214 nan 8.210 nan 0.000 0.409 258 Q N 0.626 120.808 119.800 0.637 0.000 2.112 258 Q HA -0.284 4.056 4.340 0.000 0.000 0.206 258 Q C 1.895 178.256 176.000 0.602 0.000 0.987 258 Q CA 2.213 58.380 55.803 0.606 0.000 0.858 258 Q CB -0.586 28.396 28.738 0.408 0.000 0.905 258 Q HN 0.584 nan 8.270 nan 0.000 0.420 259 W N 0.121 121.690 121.300 0.447 0.000 2.380 259 W HA -0.084 4.576 4.660 0.000 0.000 0.317 259 W C 1.783 178.502 176.519 0.332 0.000 1.196 259 W CA 1.790 59.355 57.345 0.366 0.000 1.307 259 W CB -0.427 29.294 29.460 0.434 0.000 1.157 259 W HN 0.176 nan 8.180 nan 0.000 0.483 260 I N 0.206 121.110 120.570 0.557 0.000 2.248 260 I HA -0.331 3.839 4.170 0.000 0.000 0.248 260 I C 2.432 178.633 176.117 0.139 0.000 1.107 260 I CA 1.677 63.134 61.300 0.261 0.000 1.373 260 I CB -0.928 37.294 38.000 0.369 0.000 1.055 260 I HN 0.056 nan 8.210 nan 0.000 0.418 261 F N 2.040 122.073 119.950 0.138 0.000 2.046 261 F HA -0.309 4.218 4.527 0.000 0.000 0.297 261 F C 2.637 178.462 175.800 0.042 0.000 1.123 261 F CA 2.167 60.245 58.000 0.130 0.000 1.199 261 F CB -0.740 38.440 39.000 0.300 0.000 0.972 261 F HN -0.023 nan 8.300 nan 0.000 0.474 262 Q N 0.887 120.597 119.800 -0.151 0.000 2.077 262 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 262 Q C 2.095 177.871 176.000 -0.373 0.000 0.989 262 Q CA 2.210 57.818 55.803 -0.325 0.000 0.853 262 Q CB -0.281 28.380 28.738 -0.128 0.000 0.907 262 Q HN 0.233 nan 8.270 nan 0.000 0.418 263 K N -0.532 119.599 120.400 -0.449 0.000 2.155 263 K HA 0.048 4.368 4.320 0.000 0.000 0.203 263 K C 2.209 178.676 176.600 -0.222 0.000 1.052 263 K CA 1.170 57.199 56.287 -0.431 0.000 0.948 263 K CB -0.263 31.769 32.500 -0.780 0.000 0.728 263 K HN 0.129 nan 8.250 nan 0.000 0.448 264 S N 1.621 117.216 115.700 -0.174 0.000 2.428 264 S HA 0.017 4.487 4.470 0.000 0.000 0.230 264 S C 1.903 176.428 174.600 -0.125 0.000 1.014 264 S CA 0.382 58.541 58.200 -0.067 0.000 0.957 264 S CB -0.053 63.154 63.200 0.011 0.000 0.784 264 S HN 0.198 nan 8.310 nan 0.000 0.499 265 L N 1.302 122.360 121.223 -0.276 0.000 2.093 265 L HA -0.109 4.231 4.340 0.000 0.000 0.208 265 L C 2.324 179.091 176.870 -0.172 0.000 1.085 265 L CA 1.379 56.036 54.840 -0.305 0.000 0.755 265 L CB -0.242 41.474 42.059 -0.571 0.000 0.904 265 L HN 0.360 nan 8.230 nan 0.000 0.435 266 E N -0.732 119.373 120.200 -0.159 0.000 2.072 266 E HA -0.252 4.099 4.350 0.000 0.000 0.190 266 E C 2.136 178.715 176.600 -0.034 0.000 0.982 266 E CA 0.703 57.048 56.400 -0.092 0.000 0.803 266 E CB 0.013 29.655 29.700 -0.096 0.000 0.755 266 E HN 0.241 nan 8.360 nan 0.000 0.453 267 R N 1.368 121.855 120.500 -0.021 0.000 2.073 267 R HA -0.125 4.215 4.340 0.000 0.000 0.234 267 R C 2.134 178.470 176.300 0.061 0.000 1.134 267 R CA 1.637 57.755 56.100 0.030 0.000 0.952 267 R CB -0.610 29.696 30.300 0.010 0.000 0.850 267 R HN 0.154 nan 8.270 nan 0.000 0.433 268 A N -0.531 122.295 122.820 0.011 0.000 1.892 268 A HA -0.237 4.083 4.320 0.000 0.000 0.218 268 A C 2.300 179.915 177.584 0.051 0.000 1.188 268 A CA 2.203 54.253 52.037 0.023 0.000 0.631 268 A CB -1.248 17.748 19.000 -0.007 0.000 0.822 268 A HN 0.493 nan 8.150 nan 0.000 0.447 269 S N -0.974 114.736 115.700 0.018 0.000 2.370 269 S HA -0.261 4.209 4.470 0.000 0.000 0.226 269 S C 2.171 176.782 174.600 0.018 0.000 1.033 269 S CA 1.802 60.007 58.200 0.008 0.000 1.011 269 S CB -0.418 62.771 63.200 -0.019 0.000 0.852 269 S HN 0.678 nan 8.310 nan 0.000 0.457 270 Q N -0.858 118.969 119.800 0.044 0.000 2.014 270 Q HA -0.164 4.176 4.340 0.000 0.000 0.207 270 Q C 1.218 177.152 176.000 -0.109 0.000 0.993 270 Q CA 2.030 57.819 55.803 -0.024 0.000 0.850 270 Q CB -0.290 28.468 28.738 0.033 0.000 0.916 270 Q HN 0.719 nan 8.270 nan 0.000 0.417 271 Y N 1.312 121.578 120.300 -0.057 0.000 2.470 271 Y HA 0.051 4.601 4.550 0.000 0.000 0.284 271 Y C 0.149 176.027 175.900 -0.037 0.000 1.188 271 Y CA -0.115 57.956 58.100 -0.049 0.000 1.269 271 Y CB -0.634 37.792 38.460 -0.057 0.000 1.094 271 Y HN 0.280 nan 8.280 nan 0.000 0.518 272 N N 0.558 119.307 118.700 0.082 0.000 2.678 272 N HA -0.281 4.459 4.740 0.000 0.000 0.268 272 N C -0.855 174.683 175.510 0.046 0.000 1.010 272 N CA 0.693 53.768 53.050 0.041 0.000 0.784 272 N CB -1.659 36.835 38.487 0.011 0.000 0.905 272 N HN 0.496 nan 8.380 nan 0.000 0.552 273 I N 0.859 121.459 120.570 0.050 0.000 2.330 273 I HA 0.265 4.435 4.170 0.000 0.000 0.289 273 I C 1.023 177.150 176.117 0.015 0.000 1.001 273 I CA -0.715 60.601 61.300 0.027 0.000 1.193 273 I CB 0.991 38.999 38.000 0.014 0.000 1.345 273 I HN 0.042 nan 8.210 nan 0.000 0.461 274 R N 3.870 124.377 120.500 0.013 0.000 2.528 274 R HA 0.605 4.945 4.340 0.000 0.000 0.271 274 R C 0.787 177.098 176.300 0.018 0.000 1.056 274 R CA -0.136 55.974 56.100 0.017 0.000 1.117 274 R CB 0.854 31.165 30.300 0.017 0.000 1.085 274 R HN 0.939 nan 8.270 nan 0.000 0.530 275 G N 0.202 109.023 108.800 0.034 0.000 2.151 275 G HA2 -0.186 3.774 3.960 0.000 0.000 0.140 275 G HA3 -0.186 3.774 3.960 0.000 0.000 0.140 275 G C -0.449 174.492 174.900 0.069 0.000 1.020 275 G CA -0.630 44.496 45.100 0.043 0.000 0.688 275 G HN 0.371 nan 8.290 nan 0.000 0.500 276 V N 1.872 121.841 119.914 0.092 0.000 2.334 276 V HA 0.677 4.798 4.120 0.000 0.000 0.267 276 V C 0.678 176.956 176.094 0.307 0.000 1.040 276 V CA 0.503 62.896 62.300 0.155 0.000 0.866 276 V CB 1.137 33.017 31.823 0.094 0.000 1.019 276 V HN 0.441 nan 8.190 nan 0.000 0.468 277 T N 3.384 118.111 114.554 0.289 0.000 2.885 277 T HA 0.370 4.721 4.350 0.000 0.000 0.285 277 T C 0.620 175.421 174.700 0.169 0.000 1.019 277 T CA -0.344 61.919 62.100 0.272 0.000 1.010 277 T CB 1.107 70.050 68.868 0.126 0.000 1.022 277 T HN 0.532 nan 8.240 nan 0.000 0.466 278 Y N 4.269 124.336 120.300 -0.389 0.000 2.069 278 Y HA -0.181 4.369 4.550 0.000 0.000 0.278 278 Y C 2.682 178.460 175.900 -0.204 0.000 1.175 278 Y CA 2.537 60.232 58.100 -0.675 0.000 1.134 278 Y CB -0.169 37.821 38.460 -0.784 0.000 0.965 278 Y HN 0.749 nan 8.280 nan 0.000 0.498 279 R N -0.255 120.185 120.500 -0.100 0.000 2.117 279 R HA -0.227 4.113 4.340 0.000 0.000 0.243 279 R C 2.178 178.414 176.300 -0.106 0.000 1.143 279 R CA 1.933 57.968 56.100 -0.109 0.000 0.968 279 R CB -0.627 29.665 30.300 -0.013 0.000 0.863 279 R HN 0.492 nan 8.270 nan 0.000 0.444 280 L N 0.458 121.659 121.223 -0.036 0.000 2.109 280 L HA -0.039 4.301 4.340 0.000 0.000 0.207 280 L C 1.844 178.708 176.870 -0.009 0.000 1.086 280 L CA 1.937 56.778 54.840 0.001 0.000 0.760 280 L CB -0.530 41.562 42.059 0.055 0.000 0.910 280 L HN 0.109 nan 8.230 nan 0.000 0.437 281 T N -0.608 113.941 114.554 -0.009 0.000 2.759 281 T HA -0.220 4.130 4.350 0.000 0.000 0.269 281 T C 1.807 176.449 174.700 -0.096 0.000 1.042 281 T CA 1.775 63.882 62.100 0.013 0.000 1.140 281 T CB -0.192 68.739 68.868 0.106 0.000 0.864 281 T HN 0.489 nan 8.240 nan 0.000 0.455 282 Q N 0.280 119.939 119.800 -0.234 0.000 2.046 282 Q HA -0.014 4.326 4.340 0.000 0.000 0.200 282 Q C 2.823 178.755 176.000 -0.114 0.000 0.975 282 Q CA 1.311 56.984 55.803 -0.216 0.000 0.836 282 Q CB -0.574 27.992 28.738 -0.287 0.000 0.896 282 Q HN 0.603 nan 8.270 nan 0.000 0.428 283 G N 0.798 109.545 108.800 -0.087 0.000 2.553 283 G HA2 -0.293 3.667 3.960 0.000 0.000 0.218 283 G HA3 -0.293 3.667 3.960 0.000 0.000 0.218 283 G C 1.536 176.414 174.900 -0.037 0.000 1.195 283 G CA 1.450 46.521 45.100 -0.048 0.000 0.779 283 G HN 0.239 nan 8.290 nan 0.000 0.577 284 V N 0.408 120.313 119.914 -0.015 0.000 2.255 284 V HA -0.201 3.919 4.120 0.000 0.000 0.247 284 V C 3.036 179.110 176.094 -0.033 0.000 1.051 284 V CA 1.712 64.010 62.300 -0.003 0.000 1.018 284 V CB -0.793 31.061 31.823 0.052 0.000 0.641 284 V HN 0.252 nan 8.190 nan 0.000 0.445 285 V N -0.263 119.631 119.914 -0.034 0.000 2.261 285 V HA -0.248 3.872 4.120 0.000 0.000 0.246 285 V C 2.250 178.301 176.094 -0.072 0.000 1.047 285 V CA 2.100 64.368 62.300 -0.053 0.000 1.015 285 V CB -0.643 31.149 31.823 -0.051 0.000 0.642 285 V HN 0.513 nan 8.190 nan 0.000 0.446 286 K N -0.697 119.659 120.400 -0.073 0.000 2.444 286 K HA 0.119 4.439 4.320 0.000 0.000 0.193 286 K C 0.111 176.671 176.600 -0.067 0.000 1.024 286 K CA -0.197 56.046 56.287 -0.073 0.000 1.077 286 K CB 0.204 32.660 32.500 -0.072 0.000 0.833 286 K HN 0.166 nan 8.250 nan 0.000 0.517 287 R N 1.128 121.589 120.500 -0.066 0.000 3.264 287 R HA -0.176 4.164 4.340 0.000 0.000 0.251 287 R C -0.435 175.834 176.300 -0.052 0.000 0.971 287 R CA 0.611 56.673 56.100 -0.064 0.000 0.658 287 R CB -2.638 27.618 30.300 -0.073 0.000 1.095 287 R HN 0.328 nan 8.270 nan 0.000 0.443 288 I N 1.074 121.615 120.570 -0.048 0.000 2.696 288 I HA 0.154 4.324 4.170 0.000 0.000 0.284 288 I C 1.315 177.413 176.117 -0.032 0.000 1.129 288 I CA 0.056 61.331 61.300 -0.042 0.000 1.410 288 I CB 0.533 38.506 38.000 -0.044 0.000 1.399 288 I HN 0.057 nan 8.210 nan 0.000 0.579 289 I N 6.042 126.593 120.570 -0.032 0.000 2.382 289 I HA 0.310 4.480 4.170 0.000 0.000 0.285 289 I C -2.196 173.899 176.117 -0.037 0.000 1.007 289 I CA -1.936 59.349 61.300 -0.026 0.000 1.142 289 I CB 1.209 39.195 38.000 -0.024 0.000 1.289 289 I HN 0.323 nan 8.210 nan 0.000 0.453 290 P HA 0.276 nan 4.420 nan 0.000 0.264 290 P C -0.718 176.525 177.300 -0.095 0.000 1.183 290 P CA 0.011 63.078 63.100 -0.056 0.000 0.763 290 P CB 0.693 32.368 31.700 -0.041 0.000 0.807 291 A N 1.855 124.607 122.820 -0.114 0.000 2.612 291 A HA 0.731 5.051 4.320 0.000 0.000 0.293 291 A C -0.886 176.605 177.584 -0.156 0.000 1.075 291 A CA -0.434 51.514 52.037 -0.148 0.000 0.680 291 A CB 1.423 20.363 19.000 -0.100 0.000 1.279 291 A HN 0.487 nan 8.150 nan 0.000 0.411 292 V N -2.307 117.495 119.914 -0.186 0.000 3.188 292 V HA 0.867 4.987 4.120 0.000 0.000 0.305 292 V C 0.981 177.016 176.094 -0.099 0.000 1.232 292 V CA -0.008 62.209 62.300 -0.137 0.000 1.043 292 V CB 0.897 32.616 31.823 -0.173 0.000 1.068 292 V HN 2.242 nan 8.190 nan 0.000 0.439 293 A N 1.153 123.942 122.820 -0.051 0.000 1.849 293 A HA -0.098 4.222 4.320 0.000 0.000 0.217 293 A C 2.243 179.805 177.584 -0.038 0.000 1.202 293 A CA 3.167 55.185 52.037 -0.032 0.000 0.629 293 A CB -1.473 17.520 19.000 -0.012 0.000 0.834 293 A HN 1.563 nan 8.150 nan 0.000 0.447 294 S N -0.380 115.314 115.700 -0.009 0.000 2.411 294 S HA -0.353 4.117 4.470 0.000 0.000 0.293 294 S C 1.923 176.517 174.600 -0.010 0.000 1.146 294 S CA 2.480 60.700 58.200 0.032 0.000 1.337 294 S CB -1.627 61.660 63.200 0.144 0.000 1.258 294 S HN 0.716 nan 8.310 nan 0.000 0.453 295 T N 3.222 117.773 114.554 -0.005 0.000 2.580 295 T HA -0.164 4.186 4.350 0.000 0.000 0.265 295 T C 1.809 176.420 174.700 -0.150 0.000 1.063 295 T CA 1.585 63.650 62.100 -0.060 0.000 1.170 295 T CB -0.801 68.055 68.868 -0.021 0.000 0.863 295 T HN 0.330 nan 8.240 nan 0.000 0.418 296 N N 1.453 120.088 118.700 -0.109 0.000 2.060 296 N HA -0.156 4.584 4.740 0.000 0.000 0.195 296 N C 2.168 177.604 175.510 -0.123 0.000 1.028 296 N CA 1.579 54.563 53.050 -0.109 0.000 0.861 296 N CB -0.790 37.649 38.487 -0.080 0.000 1.029 296 N HN 0.457 nan 8.380 nan 0.000 0.428 297 A N 1.168 123.924 122.820 -0.106 0.000 1.884 297 A HA -0.192 4.128 4.320 0.000 0.000 0.219 297 A C 2.597 180.083 177.584 -0.163 0.000 1.197 297 A CA 2.185 54.156 52.037 -0.110 0.000 0.637 297 A CB -1.103 17.838 19.000 -0.098 0.000 0.827 297 A HN 0.126 nan 8.150 nan 0.000 0.450 298 V N 0.515 120.284 119.914 -0.242 0.000 2.214 298 V HA -0.309 3.811 4.120 0.000 0.000 0.247 298 V C 2.467 178.364 176.094 -0.328 0.000 1.051 298 V CA 2.063 64.144 62.300 -0.365 0.000 1.003 298 V CB -0.803 30.567 31.823 -0.755 0.000 0.635 298 V HN 0.545 nan 8.190 nan 0.000 0.447 299 I N 0.523 120.887 120.570 -0.344 0.000 2.087 299 I HA -0.332 3.838 4.170 0.000 0.000 0.240 299 I C 2.766 178.774 176.117 -0.182 0.000 1.054 299 I CA 2.361 63.514 61.300 -0.245 0.000 1.311 299 I CB -1.777 36.107 38.000 -0.193 0.000 1.024 299 I HN 0.378 nan 8.210 nan 0.000 0.402 300 A N 0.827 123.554 122.820 -0.155 0.000 1.892 300 A HA -0.228 4.092 4.320 0.000 0.000 0.218 300 A C 2.512 180.021 177.584 -0.124 0.000 1.188 300 A CA 2.639 54.601 52.037 -0.126 0.000 0.631 300 A CB -1.011 17.928 19.000 -0.102 0.000 0.822 300 A HN 0.493 nan 8.150 nan 0.000 0.447 301 A N -1.022 121.718 122.820 -0.132 0.000 2.070 301 A HA 0.087 4.407 4.320 0.000 0.000 0.220 301 A C 2.170 179.680 177.584 -0.124 0.000 1.159 301 A CA 1.734 53.697 52.037 -0.123 0.000 0.656 301 A CB -0.630 18.293 19.000 -0.128 0.000 0.800 301 A HN 0.374 nan 8.150 nan 0.000 0.453 302 V N -0.934 118.897 119.914 -0.139 0.000 2.256 302 V HA -0.252 3.868 4.120 0.000 0.000 0.240 302 V C 2.618 178.644 176.094 -0.113 0.000 1.036 302 V CA 1.845 64.068 62.300 -0.128 0.000 1.008 302 V CB -1.119 30.617 31.823 -0.147 0.000 0.648 302 V HN 0.703 nan 8.190 nan 0.000 0.453 303 C N 0.830 120.056 119.300 -0.124 0.000 2.391 303 C HA -0.218 4.242 4.460 0.000 0.000 0.276 303 C C 3.053 177.985 174.990 -0.097 0.000 1.217 303 C CA 0.762 59.712 59.018 -0.114 0.000 1.766 303 C CB -1.665 26.002 27.740 -0.121 0.000 2.046 303 C HN 0.642 nan 8.230 nan 0.000 0.475 304 A N 0.917 123.676 122.820 -0.102 0.000 1.852 304 A HA -0.281 4.039 4.320 0.000 0.000 0.217 304 A C 2.196 179.759 177.584 -0.036 0.000 1.215 304 A CA 3.102 55.082 52.037 -0.095 0.000 0.641 304 A CB -1.560 17.384 19.000 -0.094 0.000 0.838 304 A HN 0.560 nan 8.150 nan 0.000 0.450 305 T N -0.512 114.022 114.554 -0.034 0.000 2.624 305 T HA -0.215 4.135 4.350 0.000 0.000 0.268 305 T C 1.876 176.632 174.700 0.094 0.000 1.041 305 T CA 1.964 64.076 62.100 0.020 0.000 1.159 305 T CB -0.429 68.407 68.868 -0.054 0.000 0.863 305 T HN 0.528 nan 8.240 nan 0.000 0.434 306 E N 0.441 120.651 120.200 0.017 0.000 2.065 306 E HA -0.121 4.229 4.350 0.000 0.000 0.201 306 E C 2.271 178.896 176.600 0.041 0.000 1.016 306 E CA 0.874 57.282 56.400 0.014 0.000 0.818 306 E CB -0.868 28.809 29.700 -0.039 0.000 0.749 306 E HN 0.290 nan 8.360 nan 0.000 0.453 307 V N 0.462 120.387 119.914 0.019 0.000 2.231 307 V HA -0.276 3.844 4.120 0.000 0.000 0.248 307 V C 2.130 178.322 176.094 0.163 0.000 1.054 307 V CA 2.111 64.423 62.300 0.020 0.000 1.015 307 V CB -0.662 31.085 31.823 -0.126 0.000 0.638 307 V HN 0.316 nan 8.190 nan 0.000 0.444 308 F N 0.858 120.883 119.950 0.125 0.000 2.154 308 F HA -0.233 4.294 4.527 0.000 0.000 0.301 308 F C 2.312 178.219 175.800 0.177 0.000 1.087 308 F CA 1.985 60.155 58.000 0.283 0.000 1.274 308 F CB -0.243 38.874 39.000 0.196 0.000 1.009 308 F HN 0.054 nan 8.300 nan 0.000 0.485 309 K N 0.403 120.888 120.400 0.141 0.000 1.984 309 K HA -0.137 4.183 4.320 0.000 0.000 0.209 309 K C 2.147 178.716 176.600 -0.051 0.000 1.046 309 K CA 1.986 58.308 56.287 0.058 0.000 0.934 309 K CB -0.474 32.101 32.500 0.125 0.000 0.717 309 K HN 0.283 nan 8.250 nan 0.000 0.438 310 I N 1.266 121.823 120.570 -0.020 0.000 2.113 310 I HA -0.358 3.812 4.170 0.000 0.000 0.242 310 I C 2.549 178.637 176.117 -0.049 0.000 1.064 310 I CA 1.528 62.801 61.300 -0.045 0.000 1.320 310 I CB -0.492 37.501 38.000 -0.012 0.000 1.028 310 I HN 0.237 nan 8.210 nan 0.000 0.406 311 A N 0.488 123.304 122.820 -0.008 0.000 1.898 311 A HA -0.210 4.110 4.320 0.000 0.000 0.216 311 A C 2.375 179.874 177.584 -0.142 0.000 1.181 311 A CA 2.464 54.493 52.037 -0.013 0.000 0.620 311 A CB -0.978 18.117 19.000 0.159 0.000 0.819 311 A HN 0.559 nan 8.150 nan 0.000 0.442 312 T N -5.179 109.201 114.554 -0.289 0.000 3.051 312 T HA 0.178 4.528 4.350 0.000 0.000 0.255 312 T C 0.752 175.416 174.700 -0.060 0.000 1.085 312 T CA 0.985 62.920 62.100 -0.275 0.000 1.109 312 T CB -0.171 68.350 68.868 -0.578 0.000 0.921 312 T HN 0.693 nan 8.240 nan 0.000 0.488 313 S N 0.443 116.108 115.700 -0.058 0.000 3.748 313 S HA -0.150 4.320 4.470 0.000 0.000 0.329 313 S C 1.000 175.712 174.600 0.187 0.000 1.104 313 S CA 0.376 58.608 58.200 0.052 0.000 0.954 313 S CB -1.909 61.377 63.200 0.143 0.000 0.910 313 S HN 1.080 nan 8.310 nan 0.000 0.494 314 A N -1.064 121.780 122.820 0.041 0.000 2.275 314 A HA 0.581 4.901 4.320 0.000 0.000 0.212 314 A C 0.277 177.546 177.584 -0.525 0.000 1.201 314 A CA 0.685 52.581 52.037 -0.235 0.000 0.843 314 A CB 0.221 19.252 19.000 0.053 0.000 0.873 314 A HN 0.655 nan 8.150 nan 0.000 0.492 315 Y N -2.376 117.951 120.300 0.046 0.000 2.713 315 Y HA 0.426 4.976 4.550 0.000 0.000 0.335 315 Y C -0.936 175.008 175.900 0.074 0.000 1.222 315 Y CA -1.418 56.731 58.100 0.081 0.000 1.061 315 Y CB 0.917 39.431 38.460 0.089 0.000 1.314 315 Y HN 0.012 nan 8.280 nan 0.000 0.453 316 I N 2.128 122.877 120.570 0.298 0.000 2.396 316 I HA 0.350 4.520 4.170 0.000 0.000 0.289 316 I C -2.527 173.651 176.117 0.101 0.000 1.056 316 I CA -2.061 59.345 61.300 0.177 0.000 1.365 316 I CB -0.348 37.773 38.000 0.202 0.000 1.407 316 I HN 0.168 nan 8.210 nan 0.000 0.509 317 P HA 0.046 nan 4.420 nan 0.000 0.264 317 P C -0.028 177.274 177.300 0.003 0.000 1.183 317 P CA -0.387 62.713 63.100 0.001 0.000 0.763 317 P CB 0.449 32.126 31.700 -0.038 0.000 0.807 318 L N 3.089 124.301 121.223 -0.018 0.000 2.536 318 L HA -0.014 4.326 4.340 0.000 0.000 0.294 318 L C 0.591 177.437 176.870 -0.040 0.000 1.257 318 L CA 0.395 55.212 54.840 -0.039 0.000 0.850 318 L CB 0.214 42.226 42.059 -0.077 0.000 1.105 318 L HN 0.294 nan 8.230 nan 0.000 0.517 319 N N 3.144 121.818 118.700 -0.044 0.000 2.868 319 N HA 0.044 4.784 4.740 0.000 0.000 0.252 319 N C 0.052 175.521 175.510 -0.068 0.000 1.130 319 N CA 0.549 53.579 53.050 -0.034 0.000 1.026 319 N CB -0.494 37.989 38.487 -0.006 0.000 1.335 319 N HN 0.767 nan 8.380 nan 0.000 0.516 320 N N 0.466 119.128 118.700 -0.063 0.000 2.628 320 N HA -0.298 4.442 4.740 0.000 0.000 0.247 320 N C -0.994 174.462 175.510 -0.089 0.000 1.157 320 N CA 1.279 54.291 53.050 -0.063 0.000 0.729 320 N CB -1.743 36.746 38.487 0.004 0.000 1.083 320 N HN 0.524 nan 8.380 nan 0.000 0.554 321 Y N -2.219 117.851 120.300 -0.382 0.000 2.643 321 Y HA 0.498 5.048 4.550 0.000 0.000 0.347 321 Y C -1.816 173.765 175.900 -0.532 0.000 1.208 321 Y CA -1.251 56.504 58.100 -0.575 0.000 1.245 321 Y CB 0.870 38.633 38.460 -1.161 0.000 1.369 321 Y HN 0.334 nan 8.280 nan 0.000 0.487 322 L N 4.174 125.159 121.223 -0.398 0.000 2.666 322 L HA 0.787 5.127 4.340 0.000 0.000 0.259 322 L C -2.220 174.594 176.870 -0.094 0.000 0.919 322 L CA -0.686 54.037 54.840 -0.195 0.000 0.927 322 L CB 1.595 43.538 42.059 -0.193 0.000 1.423 322 L HN 0.305 nan 8.230 nan 0.000 0.426 323 V N 4.201 124.140 119.914 0.042 0.000 2.628 323 V HA 0.649 4.769 4.120 0.000 0.000 0.306 323 V C -0.766 175.363 176.094 0.058 0.000 1.045 323 V CA -0.510 61.848 62.300 0.096 0.000 0.905 323 V CB 1.725 33.652 31.823 0.173 0.000 0.997 323 V HN 0.732 nan 8.190 nan 0.000 0.436 324 F N 3.022 122.938 119.950 -0.057 0.000 2.563 324 F HA 0.668 5.195 4.527 0.000 0.000 0.316 324 F C -0.421 175.396 175.800 0.028 0.000 1.076 324 F CA -0.442 57.530 58.000 -0.047 0.000 0.921 324 F CB 1.989 40.974 39.000 -0.025 0.000 1.209 324 F HN 0.575 nan 8.300 nan 0.000 0.462 325 N N 3.920 122.162 118.700 -0.763 0.000 2.503 325 N HA 0.154 4.894 4.740 0.000 0.000 0.287 325 N C -0.950 174.268 175.510 -0.486 0.000 1.096 325 N CA -0.438 52.394 53.050 -0.364 0.000 0.936 325 N CB 1.302 39.775 38.487 -0.024 0.000 1.570 325 N HN 0.654 nan 8.380 nan 0.000 0.504 326 D N 1.893 122.162 120.400 -0.219 0.000 2.327 326 D HA -0.016 4.624 4.640 0.000 0.000 0.205 326 D C 2.123 178.271 176.300 -0.253 0.000 0.989 326 D CA 0.752 54.654 54.000 -0.163 0.000 0.873 326 D CB 0.591 41.463 40.800 0.120 0.000 0.955 326 D HN 0.444 nan 8.370 nan 0.000 0.515 327 V N -0.371 119.414 119.914 -0.215 0.000 2.282 327 V HA -0.154 3.966 4.120 0.000 0.000 0.249 327 V C 1.009 176.999 176.094 -0.174 0.000 1.057 327 V CA 1.485 63.642 62.300 -0.238 0.000 1.032 327 V CB -0.353 31.413 31.823 -0.095 0.000 0.645 327 V HN -0.022 nan 8.190 nan 0.000 0.447 328 D N 0.444 120.772 120.400 -0.119 0.000 2.462 328 D HA 0.474 5.114 4.640 0.000 0.000 0.249 328 D C 0.644 176.888 176.300 -0.094 0.000 1.117 328 D CA 1.025 54.965 54.000 -0.099 0.000 0.900 328 D CB 0.639 41.388 40.800 -0.084 0.000 1.039 328 D HN 0.652 nan 8.370 nan 0.000 0.516 329 G N 2.512 111.257 108.800 -0.093 0.000 2.601 329 G HA2 -0.242 3.718 3.960 0.000 0.000 0.261 329 G HA3 -0.242 3.718 3.960 0.000 0.000 0.261 329 G C -0.559 174.294 174.900 -0.080 0.000 1.289 329 G CA -0.263 44.795 45.100 -0.070 0.000 0.920 329 G HN 0.525 nan 8.290 nan 0.000 0.571 330 L N -0.204 120.990 121.223 -0.048 0.000 2.322 330 L HA 0.694 5.034 4.340 0.000 0.000 0.281 330 L C -0.592 176.284 176.870 0.010 0.000 1.014 330 L CA -0.936 53.857 54.840 -0.079 0.000 0.815 330 L CB 1.918 43.977 42.059 -0.001 0.000 1.247 330 L HN 0.719 nan 8.230 nan 0.000 0.421 331 Y N 2.329 122.473 120.300 -0.260 0.000 2.470 331 Y HA 0.572 5.122 4.550 0.000 0.000 0.341 331 Y C -0.841 174.997 175.900 -0.104 0.000 1.021 331 Y CA -1.310 56.709 58.100 -0.136 0.000 1.025 331 Y CB 2.238 40.631 38.460 -0.112 0.000 1.266 331 Y HN 0.542 nan 8.280 nan 0.000 0.448 332 T N 3.515 117.902 114.554 -0.279 0.000 3.176 332 T HA 0.245 4.595 4.350 0.000 0.000 0.337 332 T C -1.598 172.988 174.700 -0.189 0.000 0.957 332 T CA -0.525 61.405 62.100 -0.284 0.000 1.092 332 T CB -0.150 68.731 68.868 0.022 0.000 1.018 332 T HN 0.559 nan 8.240 nan 0.000 0.473 333 Y N 3.157 123.161 120.300 -0.493 0.000 2.377 333 Y HA 0.541 5.091 4.550 0.000 0.000 0.330 333 Y C -0.241 175.671 175.900 0.021 0.000 1.108 333 Y CA -0.395 57.634 58.100 -0.119 0.000 1.308 333 Y CB 0.940 39.389 38.460 -0.018 0.000 1.216 333 Y HN 0.733 nan 8.280 nan 0.000 0.518 334 T N 9.239 123.590 114.554 -0.338 0.000 2.833 334 T HA 0.489 4.839 4.350 0.000 0.000 0.297 334 T C -1.110 173.275 174.700 -0.525 0.000 1.015 334 T CA -0.391 61.484 62.100 -0.374 0.000 0.963 334 T CB -0.127 68.653 68.868 -0.146 0.000 0.955 334 T HN 0.481 nan 8.240 nan 0.000 0.449 335 F N 0.002 119.615 119.950 -0.563 0.000 2.640 335 F HA 0.733 5.260 4.527 0.000 0.000 0.324 335 F C -0.242 175.472 175.800 -0.143 0.000 1.077 335 F CA -1.643 56.108 58.000 -0.413 0.000 0.965 335 F CB 1.501 40.169 39.000 -0.553 0.000 1.351 335 F HN 0.383 nan 8.300 nan 0.000 0.487 336 E N 1.944 122.310 120.200 0.277 0.000 2.261 336 E HA 0.527 4.877 4.350 0.000 0.000 0.239 336 E C -0.487 176.310 176.600 0.328 0.000 0.991 336 E CA -0.752 55.757 56.400 0.182 0.000 0.847 336 E CB 0.626 30.394 29.700 0.114 0.000 1.223 336 E HN 0.972 nan 8.360 nan 0.000 0.446 337 A N 4.178 127.236 122.820 0.397 0.000 2.561 337 A HA -0.020 4.300 4.320 0.000 0.000 0.234 337 A C 0.335 178.017 177.584 0.164 0.000 1.055 337 A CA 0.211 52.473 52.037 0.375 0.000 0.756 337 A CB 0.298 19.489 19.000 0.319 0.000 0.986 337 A HN 0.637 nan 8.150 nan 0.000 0.505 338 E N 0.814 121.077 120.200 0.104 0.000 2.331 338 E HA 0.137 4.487 4.350 0.000 0.000 0.272 338 E C 0.148 176.783 176.600 0.058 0.000 1.036 338 E CA -0.414 56.025 56.400 0.066 0.000 0.864 338 E CB 1.011 30.734 29.700 0.039 0.000 1.035 338 E HN 0.602 nan 8.360 nan 0.000 0.408 339 R N 3.258 123.789 120.500 0.052 0.000 2.220 339 R HA 0.060 4.400 4.340 0.000 0.000 0.340 339 R C -0.234 176.090 176.300 0.039 0.000 1.076 339 R CA -0.326 55.802 56.100 0.047 0.000 0.920 339 R CB 0.157 30.484 30.300 0.045 0.000 1.062 339 R HN 0.256 nan 8.270 nan 0.000 0.469 340 K N 3.502 123.925 120.400 0.038 0.000 2.440 340 K HA -0.117 4.203 4.320 0.000 0.000 0.275 340 K C 0.338 176.958 176.600 0.034 0.000 1.082 340 K CA 0.634 56.941 56.287 0.033 0.000 1.135 340 K CB 0.510 33.029 32.500 0.032 0.000 0.864 340 K HN 0.666 nan 8.250 nan 0.000 0.479 341 E N 1.679 121.898 120.200 0.032 0.000 2.515 341 E HA -0.167 4.183 4.350 0.000 0.000 0.201 341 E C 0.443 177.063 176.600 0.033 0.000 1.071 341 E CA 0.731 57.149 56.400 0.030 0.000 0.880 341 E CB -0.168 29.547 29.700 0.026 0.000 0.828 341 E HN 0.608 nan 8.360 nan 0.000 0.540 342 N N -0.795 117.927 118.700 0.037 0.000 2.377 342 N HA 0.096 4.836 4.740 0.000 0.000 0.259 342 N C -0.378 175.155 175.510 0.038 0.000 1.332 342 N CA -0.579 52.497 53.050 0.042 0.000 0.877 342 N CB 0.297 38.816 38.487 0.052 0.000 1.299 342 N HN -0.100 nan 8.380 nan 0.000 0.501 343 C N 2.318 121.638 119.300 0.033 0.000 2.517 343 C HA 0.085 4.545 4.460 0.000 0.000 0.403 343 C C -0.601 174.401 174.990 0.021 0.000 1.467 343 C CA -0.883 58.151 59.018 0.026 0.000 1.542 343 C CB 0.328 28.085 27.740 0.028 0.000 2.482 343 C HN 0.447 nan 8.230 nan 0.000 0.610 344 P HA -0.127 nan 4.420 nan 0.000 0.219 344 P C 0.952 178.251 177.300 -0.002 0.000 1.144 344 P CA 2.311 65.411 63.100 0.001 0.000 0.806 344 P CB 0.203 31.889 31.700 -0.023 0.000 0.771 345 A N -0.882 121.937 122.820 -0.003 0.000 1.963 345 A HA -0.014 4.306 4.320 0.000 0.000 0.211 345 A C 1.886 179.471 177.584 0.002 0.000 1.380 345 A CA 0.780 52.809 52.037 -0.013 0.000 0.690 345 A CB -1.013 17.970 19.000 -0.027 0.000 1.060 345 A HN 0.351 nan 8.150 nan 0.000 0.498 346 C N 1.875 121.184 119.300 0.014 0.000 2.460 346 C HA 0.432 4.892 4.460 0.000 0.000 0.322 346 C C 1.088 176.115 174.990 0.061 0.000 1.333 346 C CA -0.418 58.620 59.018 0.033 0.000 1.631 346 C CB -2.680 25.080 27.740 0.032 0.000 1.672 346 C HN 0.458 nan 8.230 nan 0.000 0.596 347 S N 0.251 115.984 115.700 0.055 0.000 2.405 347 S HA 0.158 4.628 4.470 0.000 0.000 0.291 347 S C 1.185 175.837 174.600 0.085 0.000 1.137 347 S CA -0.149 58.087 58.200 0.059 0.000 1.061 347 S CB 0.761 63.987 63.200 0.044 0.000 1.001 347 S HN 0.619 nan 8.310 nan 0.000 0.507 348 Q N 2.685 122.540 119.800 0.090 0.000 2.103 348 Q HA -0.177 4.163 4.340 0.000 0.000 0.213 348 Q C 0.508 176.548 176.000 0.068 0.000 1.008 348 Q CA 1.764 57.621 55.803 0.089 0.000 0.879 348 Q CB -0.315 28.362 28.738 -0.101 0.000 0.946 348 Q HN 0.839 nan 8.270 nan 0.000 0.413 349 L N -0.159 121.080 121.223 0.027 0.000 2.440 349 L HA 0.329 4.669 4.340 0.000 0.000 0.262 349 L C -1.936 174.956 176.870 0.037 0.000 1.072 349 L CA -2.203 52.653 54.840 0.025 0.000 0.798 349 L CB 0.189 42.252 42.059 0.006 0.000 1.307 349 L HN 0.017 nan 8.230 nan 0.000 0.475 350 P HA -0.019 nan 4.420 nan 0.000 0.274 350 P C -1.066 176.259 177.300 0.043 0.000 1.264 350 P CA -0.320 62.802 63.100 0.037 0.000 0.795 350 P CB 0.321 32.041 31.700 0.034 0.000 1.064 351 Q N 1.036 120.867 119.800 0.052 0.000 2.835 351 Q HA 0.123 4.463 4.340 0.000 0.000 0.235 351 Q C -0.498 175.551 176.000 0.081 0.000 1.313 351 Q CA -0.103 55.741 55.803 0.068 0.000 1.053 351 Q CB -1.664 27.121 28.738 0.078 0.000 1.443 351 Q HN 0.165 nan 8.270 nan 0.000 0.576 352 N N 3.688 122.427 118.700 0.065 0.000 2.484 352 N HA 0.002 4.742 4.740 0.000 0.000 0.295 352 N C -1.186 174.374 175.510 0.082 0.000 1.240 352 N CA 0.417 53.502 53.050 0.060 0.000 1.085 352 N CB -0.004 38.507 38.487 0.040 0.000 1.465 352 N HN 0.416 nan 8.380 nan 0.000 0.496 353 I N 2.551 123.189 120.570 0.113 0.000 2.560 353 I HA 0.102 4.272 4.170 0.000 0.000 0.283 353 I C -0.561 175.662 176.117 0.177 0.000 1.115 353 I CA -0.417 60.987 61.300 0.174 0.000 1.066 353 I CB 1.567 39.730 38.000 0.271 0.000 1.221 353 I HN 0.395 nan 8.210 nan 0.000 0.450 354 Q N 5.176 125.001 119.800 0.041 0.000 2.314 354 Q HA 0.363 4.703 4.340 0.000 0.000 0.257 354 Q C -1.001 174.846 176.000 -0.255 0.000 0.975 354 Q CA -0.214 55.560 55.803 -0.048 0.000 0.933 354 Q CB 1.450 30.119 28.738 -0.113 0.000 1.195 354 Q HN 0.333 nan 8.270 nan 0.000 0.426 355 F N 2.610 122.455 119.950 -0.176 0.000 2.387 355 F HA 0.193 4.720 4.527 0.000 0.000 0.332 355 F C -0.127 175.593 175.800 -0.134 0.000 1.174 355 F CA 0.043 57.903 58.000 -0.233 0.000 1.257 355 F CB 0.171 38.877 39.000 -0.491 0.000 1.569 355 F HN 0.631 nan 8.300 nan 0.000 0.554 356 S N 1.592 117.150 115.700 -0.238 0.000 3.540 356 S HA 0.082 4.552 4.470 0.000 0.000 0.712 356 S C -3.451 171.094 174.600 -0.091 0.000 0.823 356 S CA -1.357 56.761 58.200 -0.137 0.000 1.177 356 S CB -0.534 62.631 63.200 -0.057 0.000 0.798 356 S HN 0.270 nan 8.310 nan 0.000 0.328 357 P HA 0.580 nan 4.420 nan 0.000 0.172 357 P C 0.043 177.324 177.300 -0.032 0.000 1.796 357 P CA 0.363 63.435 63.100 -0.047 0.000 1.494 357 P CB 0.623 32.287 31.700 -0.059 0.000 1.425 358 S N 1.293 116.982 115.700 -0.018 0.000 1.235 358 S HA -0.089 4.381 4.470 0.000 0.000 0.253 358 S C 0.507 175.105 174.600 -0.002 0.000 0.613 358 S CA 0.225 58.419 58.200 -0.009 0.000 0.987 358 S CB -2.107 61.086 63.200 -0.012 0.000 0.951 358 S HN 0.637 nan 8.310 nan 0.000 0.486 359 A N 3.898 126.715 122.820 -0.005 0.000 2.450 359 A HA 0.608 4.928 4.320 0.000 0.000 0.255 359 A C 0.665 178.258 177.584 0.016 0.000 1.096 359 A CA 0.110 52.151 52.037 0.007 0.000 0.778 359 A CB 0.210 19.212 19.000 0.004 0.000 1.031 359 A HN 0.660 nan 8.150 nan 0.000 0.494 360 K N 1.271 121.688 120.400 0.027 0.000 2.916 360 K HA 0.271 4.591 4.320 0.000 0.000 0.320 360 K C 0.358 176.988 176.600 0.050 0.000 1.032 360 K CA -0.063 56.246 56.287 0.037 0.000 1.074 360 K CB -0.030 32.494 32.500 0.040 0.000 1.192 360 K HN 0.591 nan 8.250 nan 0.000 0.468 361 L N 0.595 121.854 121.223 0.061 0.000 2.728 361 L HA 0.121 4.461 4.340 0.000 0.000 0.238 361 L C 1.513 178.441 176.870 0.096 0.000 1.143 361 L CA 0.081 54.967 54.840 0.076 0.000 0.937 361 L CB -0.100 42.003 42.059 0.074 0.000 1.225 361 L HN 0.460 nan 8.230 nan 0.000 0.507 362 Q N 0.456 120.312 119.800 0.094 0.000 2.398 362 Q HA -0.037 4.303 4.340 0.000 0.000 0.204 362 Q C 0.799 176.860 176.000 0.101 0.000 0.932 362 Q CA 0.578 56.445 55.803 0.107 0.000 0.916 362 Q CB 0.088 28.878 28.738 0.086 0.000 1.024 362 Q HN 0.473 nan 8.270 nan 0.000 0.504 363 E N 0.509 120.766 120.200 0.095 0.000 2.437 363 E HA -0.014 4.336 4.350 0.000 0.000 0.189 363 E C 0.925 177.603 176.600 0.130 0.000 1.054 363 E CA 0.210 56.673 56.400 0.104 0.000 0.874 363 E CB 0.601 30.352 29.700 0.085 0.000 1.011 363 E HN 0.222 nan 8.360 nan 0.000 0.474 364 V N -2.014 117.978 119.914 0.129 0.000 3.539 364 V HA 0.117 4.237 4.120 0.000 0.000 0.262 364 V C 1.611 177.787 176.094 0.136 0.000 1.381 364 V CA -0.163 62.231 62.300 0.156 0.000 1.060 364 V CB 0.031 31.921 31.823 0.112 0.000 0.842 364 V HN 0.129 nan 8.190 nan 0.000 0.445 365 L N 0.916 122.195 121.223 0.093 0.000 2.071 365 L HA 0.144 4.484 4.340 0.000 0.000 0.201 365 L C 2.161 179.067 176.870 0.060 0.000 1.076 365 L CA 2.012 56.880 54.840 0.047 0.000 0.755 365 L CB -0.552 41.538 42.059 0.052 0.000 0.915 365 L HN 0.180 nan 8.230 nan 0.000 0.445 366 D N -1.353 119.100 120.400 0.088 0.000 2.265 366 D HA -0.254 4.386 4.640 0.000 0.000 0.208 366 D C 1.805 178.159 176.300 0.090 0.000 0.977 366 D CA 1.327 55.374 54.000 0.078 0.000 0.871 366 D CB -0.011 40.841 40.800 0.086 0.000 0.925 366 D HN 0.441 nan 8.370 nan 0.000 0.485 367 Y N 1.634 121.919 120.300 -0.025 0.000 2.130 367 Y HA -0.096 4.454 4.550 0.000 0.000 0.287 367 Y C 2.251 178.098 175.900 -0.088 0.000 1.124 367 Y CA 1.065 59.116 58.100 -0.081 0.000 1.118 367 Y CB -0.657 37.736 38.460 -0.110 0.000 0.994 367 Y HN -0.153 nan 8.280 nan 0.000 0.497 368 L N -0.579 120.516 121.223 -0.214 0.000 2.042 368 L HA -0.257 4.083 4.340 0.000 0.000 0.210 368 L C 2.258 178.998 176.870 -0.217 0.000 1.076 368 L CA 2.039 56.695 54.840 -0.307 0.000 0.749 368 L CB -1.054 40.930 42.059 -0.125 0.000 0.893 368 L HN 0.237 nan 8.230 nan 0.000 0.432 369 T N -0.773 113.713 114.554 -0.113 0.000 2.904 369 T HA -0.064 4.286 4.350 0.000 0.000 0.267 369 T C 1.610 176.265 174.700 -0.075 0.000 1.059 369 T CA 1.137 63.193 62.100 -0.073 0.000 1.137 369 T CB -0.061 68.793 68.868 -0.024 0.000 0.879 369 T HN 0.332 nan 8.240 nan 0.000 0.467 370 N N 0.404 119.055 118.700 -0.081 0.000 2.463 370 N HA 0.100 4.840 4.740 0.000 0.000 0.183 370 N C 0.721 176.176 175.510 -0.092 0.000 1.064 370 N CA 0.090 53.105 53.050 -0.059 0.000 0.879 370 N CB -0.076 38.404 38.487 -0.011 0.000 1.148 370 N HN 0.158 nan 8.380 nan 0.000 0.451 371 S N 1.415 117.009 115.700 -0.178 0.000 2.998 371 S HA 0.032 4.502 4.470 0.000 0.000 0.348 371 S C 1.297 175.803 174.600 -0.156 0.000 1.210 371 S CA -0.167 57.908 58.200 -0.208 0.000 1.118 371 S CB 0.086 62.959 63.200 -0.545 0.000 0.832 371 S HN 0.357 nan 8.310 nan 0.000 0.516 372 A N 4.221 126.996 122.820 -0.075 0.000 2.309 372 A HA -0.045 4.275 4.320 0.000 0.000 0.210 372 A C 1.901 179.458 177.584 -0.046 0.000 1.216 372 A CA 1.401 53.412 52.037 -0.043 0.000 0.731 372 A CB -0.619 18.375 19.000 -0.010 0.000 0.762 372 A HN 1.116 nan 8.150 nan 0.000 0.497 373 S N -2.117 113.529 115.700 -0.090 0.000 2.559 373 S HA 0.398 4.868 4.470 0.000 0.000 0.226 373 S C 1.085 175.624 174.600 -0.102 0.000 1.000 373 S CA 0.235 58.391 58.200 -0.073 0.000 0.948 373 S CB -0.095 63.069 63.200 -0.060 0.000 0.870 373 S HN 0.431 nan 8.310 nan 0.000 0.497 374 L N -0.530 120.599 121.223 -0.156 0.000 2.713 374 L HA 0.348 4.688 4.340 0.000 0.000 0.223 374 L C 0.887 177.689 176.870 -0.113 0.000 1.040 374 L CA -0.130 54.616 54.840 -0.156 0.000 0.894 374 L CB -0.760 41.138 42.059 -0.267 0.000 1.361 374 L HN 0.107 nan 8.230 nan 0.000 0.490 375 Q N 0.843 120.571 119.800 -0.121 0.000 2.397 375 Q HA -0.222 4.118 4.340 0.000 0.000 0.253 375 Q C 0.105 176.065 176.000 -0.067 0.000 1.026 375 Q CA 0.709 56.465 55.803 -0.079 0.000 1.066 375 Q CB -1.473 27.238 28.738 -0.046 0.000 1.553 375 Q HN 0.522 nan 8.270 nan 0.000 0.538 376 M N 0.445 119.996 119.600 -0.081 0.000 2.247 376 M HA 0.016 4.496 4.480 0.000 0.000 0.318 376 M C 0.487 176.762 176.300 -0.042 0.000 1.054 376 M CA 1.211 56.476 55.300 -0.058 0.000 1.117 376 M CB 0.216 32.776 32.600 -0.068 0.000 1.515 376 M HN 0.009 nan 8.290 nan 0.000 0.442 377 K N 0.975 121.360 120.400 -0.026 0.000 2.221 377 K HA 0.232 4.552 4.320 0.000 0.000 0.258 377 K C -0.176 176.418 176.600 -0.010 0.000 0.944 377 K CA -0.328 55.950 56.287 -0.016 0.000 0.823 377 K CB 1.206 33.700 32.500 -0.011 0.000 1.113 377 K HN 0.816 nan 8.250 nan 0.000 0.431 378 S N 2.189 117.888 115.700 -0.002 0.000 3.244 378 S HA -0.120 4.350 4.470 0.000 0.000 0.291 378 S C -2.379 172.214 174.600 -0.012 0.000 0.833 378 S CA -0.187 58.017 58.200 0.006 0.000 1.348 378 S CB -1.631 61.582 63.200 0.022 0.000 0.910 378 S HN 0.465 nan 8.310 nan 0.000 0.461 379 P HA 0.697 nan 4.420 nan 0.000 0.302 379 P C -0.270 176.972 177.300 -0.097 0.000 1.301 379 P CA -0.015 63.050 63.100 -0.059 0.000 0.745 379 P CB 0.353 32.010 31.700 -0.071 0.000 1.331 380 A N -0.360 122.395 122.820 -0.108 0.000 2.512 380 A HA 0.593 4.913 4.320 0.000 0.000 0.294 380 A C -1.174 176.341 177.584 -0.116 0.000 1.054 380 A CA -0.417 51.536 52.037 -0.141 0.000 0.756 380 A CB 0.458 19.414 19.000 -0.073 0.000 1.293 380 A HN 0.307 nan 8.150 nan 0.000 0.395 381 I N 1.790 122.269 120.570 -0.151 0.000 2.412 381 I HA 0.543 4.713 4.170 0.000 0.000 0.296 381 I C 0.097 176.185 176.117 -0.048 0.000 0.987 381 I CA -0.377 60.872 61.300 -0.085 0.000 1.180 381 I CB 2.257 40.207 38.000 -0.084 0.000 1.340 381 I HN 0.604 nan 8.210 nan 0.000 0.455 382 T N 4.197 118.738 114.554 -0.021 0.000 2.908 382 T HA 0.813 5.163 4.350 0.000 0.000 0.290 382 T C -0.378 174.325 174.700 0.005 0.000 1.034 382 T CA -0.509 61.589 62.100 -0.004 0.000 1.010 382 T CB 2.158 71.026 68.868 -0.000 0.000 1.068 382 T HN 0.755 nan 8.240 nan 0.000 0.481 383 A N 1.362 124.189 122.820 0.012 0.000 2.552 383 A HA 0.951 5.271 4.320 0.000 0.000 0.288 383 A C -0.437 177.156 177.584 0.015 0.000 1.193 383 A CA -0.711 51.335 52.037 0.015 0.000 0.713 383 A CB 1.465 20.477 19.000 0.019 0.000 1.305 383 A HN 0.712 nan 8.150 nan 0.000 0.424 390 R N 0.299 120.810 120.500 0.019 0.000 2.474 390 R HA 0.498 4.838 4.340 0.000 0.000 0.295 390 R C -0.072 176.244 176.300 0.026 0.000 0.980 390 R CA -0.475 55.639 56.100 0.024 0.000 0.934 390 R CB 1.224 31.540 30.300 0.026 0.000 1.101 390 R HN 0.108 nan 8.270 nan 0.000 0.469 391 T N 4.097 118.671 114.554 0.032 0.000 2.737 391 T HA 0.185 4.535 4.350 0.000 0.000 0.296 391 T C 0.511 175.245 174.700 0.058 0.000 0.922 391 T CA -0.305 61.817 62.100 0.037 0.000 1.079 391 T CB 0.258 69.152 68.868 0.043 0.000 0.892 391 T HN 0.263 nan 8.240 nan 0.000 0.514 392 L N 5.940 127.188 121.223 0.042 0.000 2.422 392 L HA 0.274 4.614 4.340 0.000 0.000 0.256 392 L C 0.020 176.922 176.870 0.054 0.000 1.202 392 L CA -1.031 53.853 54.840 0.073 0.000 1.119 392 L CB -0.807 41.272 42.059 0.032 0.000 1.383 392 L HN 0.847 nan 8.230 nan 0.000 0.411 393 Y N 1.489 121.801 120.300 0.019 0.000 2.533 393 Y HA -0.213 4.337 4.550 0.000 0.000 0.135 393 Y C -1.374 174.537 175.900 0.018 0.000 1.716 393 Y CA -0.261 57.849 58.100 0.018 0.000 1.400 393 Y CB -0.287 38.183 38.460 0.017 0.000 2.042 393 Y HN 0.443 nan 8.280 nan 0.000 0.260 394 L N 5.879 127.184 121.223 0.136 0.000 2.372 394 L HA 0.443 4.783 4.340 0.000 0.000 0.273 394 L C 0.450 177.398 176.870 0.129 0.000 0.989 394 L CA -0.740 54.124 54.840 0.039 0.000 0.841 394 L CB 1.777 43.848 42.059 0.019 0.000 1.225 394 L HN 0.825 nan 8.230 nan 0.000 0.414 395 Q N 1.586 121.469 119.800 0.139 0.000 2.576 395 Q HA -0.045 4.295 4.340 0.000 0.000 0.218 395 Q C 0.928 176.974 176.000 0.076 0.000 0.983 395 Q CA 0.831 56.717 55.803 0.138 0.000 0.920 395 Q CB -0.145 28.670 28.738 0.128 0.000 0.973 395 Q HN 0.778 nan 8.270 nan 0.000 0.528 601 T N -0.908 113.661 114.554 0.024 0.000 3.065 601 T HA 0.517 4.867 4.350 0.000 0.000 0.252 601 T C 1.745 176.461 174.700 0.027 0.000 1.099 601 T CA 2.292 64.404 62.100 0.020 0.000 1.063 601 T CB -0.159 68.718 68.868 0.015 0.000 0.948 601 T HN 1.583 nan 8.240 nan 0.000 0.506 602 S N 0.138 115.860 115.700 0.036 0.000 2.562 602 S HA 0.522 4.992 4.470 0.000 0.000 0.221 602 S C 2.107 176.749 174.600 0.070 0.000 0.975 602 S CA 0.972 59.199 58.200 0.045 0.000 0.918 602 S CB -0.727 62.499 63.200 0.044 0.000 0.772 602 S HN 0.752 nan 8.310 nan 0.000 0.531 603 I N 0.137 120.752 120.570 0.074 0.000 2.810 603 I HA 0.480 4.650 4.170 0.000 0.000 0.262 603 I C 2.390 178.525 176.117 0.030 0.000 1.131 603 I CA 1.499 62.865 61.300 0.109 0.000 1.453 603 I CB -1.523 36.559 38.000 0.135 0.000 1.161 603 I HN 0.506 nan 8.210 nan 0.000 0.444 604 E N 1.323 121.530 120.200 0.011 0.000 2.160 604 E HA -0.200 4.150 4.350 0.000 0.000 0.195 604 E C 1.951 178.538 176.600 -0.021 0.000 0.991 604 E CA 1.860 58.250 56.400 -0.018 0.000 0.810 604 E CB -1.349 28.347 29.700 -0.006 0.000 0.742 604 E HN 1.167 nan 8.360 nan 0.000 0.466 605 E N -0.842 119.359 120.200 0.002 0.000 2.512 605 E HA 0.347 4.697 4.350 0.000 0.000 0.195 605 E C 1.797 178.400 176.600 0.004 0.000 1.083 605 E CA 1.298 57.701 56.400 0.005 0.000 0.873 605 E CB -0.814 28.897 29.700 0.018 0.000 0.897 605 E HN 0.825 nan 8.360 nan 0.000 0.514 606 R N -1.716 118.774 120.500 -0.017 0.000 2.471 606 R HA 0.478 4.818 4.340 0.000 0.000 0.326 606 R C 1.590 177.749 176.300 -0.235 0.000 0.875 606 R CA 0.709 56.788 56.100 -0.034 0.000 1.102 606 R CB -1.229 29.134 30.300 0.105 0.000 1.749 606 R HN 0.635 nan 8.270 nan 0.000 0.487 607 T N 1.013 115.417 114.554 -0.250 0.000 4.578 607 T HA 0.590 4.940 4.350 0.000 0.000 0.236 607 T C 0.632 175.185 174.700 -0.246 0.000 1.038 607 T CA 1.034 62.908 62.100 -0.376 0.000 1.067 607 T CB -0.850 67.886 68.868 -0.219 0.000 1.390 607 T HN 1.482 nan 8.240 nan 0.000 1.076 701 E N 0.983 121.200 120.200 0.028 0.000 2.481 701 E HA 0.538 4.888 4.350 0.000 0.000 0.198 701 E C 2.065 178.679 176.600 0.023 0.000 1.027 701 E CA 1.297 57.712 56.400 0.025 0.000 0.900 701 E CB -0.576 29.136 29.700 0.020 0.000 0.993 701 E HN 1.799 nan 8.360 nan 0.000 0.482 702 L N 0.250 121.488 121.223 0.024 0.000 1.943 702 L HA 0.273 4.614 4.340 0.000 0.000 0.215 702 L C 2.919 179.803 176.870 0.024 0.000 1.074 702 L CA 2.585 57.438 54.840 0.022 0.000 0.759 702 L CB -1.452 40.620 42.059 0.022 0.000 0.888 702 L HN 0.494 nan 8.230 nan 0.000 0.433 703 G N -1.626 107.192 108.800 0.031 0.000 2.920 703 G HA2 0.328 4.288 3.960 0.000 0.000 0.208 703 G HA3 0.328 4.288 3.960 0.000 0.000 0.208 703 G C 1.464 176.383 174.900 0.032 0.000 1.159 703 G CA 1.170 46.289 45.100 0.032 0.000 0.784 703 G HN 1.311 nan 8.290 nan 0.000 0.535 704 L N -0.594 120.648 121.223 0.032 0.000 2.549 704 L HA 0.569 4.909 4.340 0.000 0.000 0.230 704 L C 2.511 179.394 176.870 0.022 0.000 1.162 704 L CA 2.143 57.001 54.840 0.031 0.000 0.834 704 L CB -1.187 40.891 42.059 0.031 0.000 0.947 704 L HN 0.443 nan 8.230 nan 0.000 0.452 705 V N -2.032 117.894 119.914 0.019 0.000 3.350 705 V HA 0.332 4.452 4.120 0.000 0.000 0.246 705 V C 1.200 177.302 176.094 0.014 0.000 1.363 705 V CA 1.299 63.607 62.300 0.014 0.000 1.162 705 V CB -0.881 30.948 31.823 0.011 0.000 0.947 705 V HN 0.567 nan 8.190 nan 0.000 0.454 801 Q N -1.454 118.353 119.800 0.011 0.000 1.186 801 Q HA 0.395 4.735 4.340 0.000 0.000 0.287 801 Q C 0.869 176.872 176.000 0.004 0.000 1.002 801 Q CA 2.973 58.780 55.803 0.007 0.000 0.792 801 Q CB -1.939 26.803 28.738 0.007 0.000 3.852 801 Q HN 2.724 nan 8.270 nan 0.000 0.457 901 V N -1.585 118.343 119.914 0.024 0.000 5.903 901 V HA 0.531 4.651 4.120 0.000 0.000 0.714 901 V C 0.830 176.938 176.094 0.023 0.000 2.035 901 V CA 0.585 62.900 62.300 0.024 0.000 3.737 901 V CB -2.153 29.682 31.823 0.020 0.000 0.115 901 V HN 2.737 nan 8.190 nan 0.000 0.592 902 A N -0.407 122.429 122.820 0.027 0.000 2.664 902 A HA 0.525 4.845 4.320 0.000 0.000 0.228 902 A C 0.573 178.169 177.584 0.020 0.000 1.091 902 A CA 1.932 53.984 52.037 0.024 0.000 0.793 902 A CB -0.026 18.994 19.000 0.034 0.000 1.003 902 A HN 2.582 nan 8.150 nan 0.000 0.510 903 D N -1.159 119.247 120.400 0.010 0.000 2.890 903 D HA 0.705 5.345 4.640 0.000 0.000 0.233 903 D C -0.634 175.662 176.300 -0.007 0.000 1.306 903 D CA 0.126 54.130 54.000 0.005 0.000 0.929 903 D CB 0.770 41.573 40.800 0.005 0.000 1.512 903 D HN 1.908 nan 8.370 nan 0.000 0.568 904 V N -1.144 118.764 119.914 -0.010 0.000 3.093 904 V HA 1.100 5.220 4.120 0.000 0.000 0.320 904 V C 0.652 176.732 176.094 -0.023 0.000 1.093 904 V CA -0.019 62.266 62.300 -0.024 0.000 1.016 904 V CB 1.873 33.679 31.823 -0.028 0.000 1.096 904 V HN 1.626 nan 8.190 nan 0.000 0.452 905 T N 0.996 115.534 114.554 -0.026 0.000 4.054 905 T HA 0.815 5.165 4.350 0.000 0.000 0.353 905 T C -0.271 174.423 174.700 -0.011 0.000 0.979 905 T CA 0.353 62.444 62.100 -0.016 0.000 1.047 905 T CB -0.064 68.800 68.868 -0.006 0.000 1.121 905 T HN 1.911 nan 8.240 nan 0.000 0.469 906 T N 2.118 116.668 114.554 -0.005 0.000 2.907 906 T HA 0.922 5.272 4.350 0.000 0.000 0.284 906 T C -1.347 173.375 174.700 0.036 0.000 1.004 906 T CA -0.798 61.304 62.100 0.003 0.000 1.063 906 T CB -0.022 68.841 68.868 -0.008 0.000 0.992 906 T HN 0.635 nan 8.240 nan 0.000 0.483 907 P HA 0.455 nan 4.420 nan 0.000 0.247 907 P C 0.944 178.292 177.300 0.079 0.000 1.147 907 P CA 1.723 64.852 63.100 0.049 0.000 0.964 907 P CB -1.595 30.121 31.700 0.028 0.000 0.944 908 Q N 0.010 119.900 119.800 0.150 0.000 2.224 908 Q HA -0.378 3.962 4.340 0.000 0.000 0.189 908 Q C 1.935 178.108 176.000 0.288 0.000 0.639 908 Q CA 3.464 59.433 55.803 0.277 0.000 1.436 908 Q CB -3.073 25.724 28.738 0.099 0.000 1.626 908 Q HN 1.118 nan 8.270 nan 0.000 0.768 909 T N -1.452 113.184 114.554 0.136 0.000 2.624 909 T HA 0.440 4.790 4.350 0.000 0.000 0.268 909 T C 1.821 176.573 174.700 0.086 0.000 1.041 909 T CA 3.946 66.096 62.100 0.083 0.000 1.159 909 T CB -0.448 68.434 68.868 0.024 0.000 0.863 909 T HN 2.404 nan 8.240 nan 0.000 0.434 910 V N -1.051 118.882 119.914 0.032 0.000 3.007 910 V HA 0.777 4.897 4.120 0.000 0.000 0.311 910 V C 1.594 177.553 176.094 -0.225 0.000 1.120 910 V CA -0.168 62.057 62.300 -0.125 0.000 0.980 910 V CB 1.387 33.137 31.823 -0.123 0.000 1.033 910 V HN 0.805 nan 8.190 nan 0.000 0.429 911 L N 2.162 123.017 121.223 -0.613 0.000 2.313 911 L HA 0.554 4.894 4.340 0.000 0.000 0.214 911 L C 1.648 178.359 176.870 -0.265 0.000 1.119 911 L CA 2.048 56.541 54.840 -0.578 0.000 0.809 911 L CB -1.814 39.551 42.059 -1.156 0.000 0.933 911 L HN 1.919 nan 8.230 nan 0.000 0.449 912 F N 0.124 119.927 119.950 -0.246 0.000 2.373 912 F HA 0.691 5.218 4.527 0.000 0.000 0.302 912 F C 0.897 176.648 175.800 -0.082 0.000 1.247 912 F CA -0.413 57.500 58.000 -0.146 0.000 1.169 912 F CB -0.390 38.527 39.000 -0.140 0.000 1.309 912 F HN 0.518 nan 8.300 nan 0.000 0.537 913 K N 0.753 121.120 120.400 -0.055 0.000 2.367 913 K HA 0.783 5.103 4.320 0.000 0.000 0.263 913 K C -0.679 175.905 176.600 -0.026 0.000 1.000 913 K CA 0.051 56.319 56.287 -0.031 0.000 0.891 913 K CB 0.231 32.720 32.500 -0.018 0.000 1.117 913 K HN 2.465 nan 8.250 nan 0.000 0.443 914 L N 0.877 122.086 121.223 -0.024 0.000 2.360 914 L HA 0.697 5.037 4.340 0.000 0.000 0.276 914 L C 0.612 177.482 176.870 -0.000 0.000 1.121 914 L CA 0.080 54.911 54.840 -0.015 0.000 0.845 914 L CB -0.857 41.190 42.059 -0.020 0.000 1.143 914 L HN 1.344 nan 8.230 nan 0.000 0.452 915 H N 1.960 121.035 119.070 0.010 0.000 2.691 915 H HA 0.758 5.314 4.556 0.000 0.000 0.281 915 H C -0.490 174.857 175.328 0.032 0.000 1.121 915 H CA -0.238 55.822 56.048 0.020 0.000 1.254 915 H CB 0.401 30.175 29.762 0.020 0.000 1.390 915 H HN 2.098 nan 8.280 nan 0.000 0.491 916 F N 1.385 121.360 119.950 0.041 0.000 2.469 916 F HA 0.964 5.491 4.527 0.000 0.000 0.332 916 F C 0.610 176.447 175.800 0.062 0.000 1.103 916 F CA -0.656 57.382 58.000 0.063 0.000 0.979 916 F CB 0.811 39.864 39.000 0.089 0.000 1.137 916 F HN 1.150 nan 8.300 nan 0.000 0.463 917 T N 0.000 114.591 114.554 0.062 0.000 3.816 917 T HA 0.000 4.350 4.350 0.000 0.000 0.228 917 T CA 0.000 62.130 62.100 0.050 0.000 1.349 917 T CB 0.000 68.890 68.868 0.037 0.000 0.612 917 T HN 0.000 nan 8.240 nan 0.000 0.658