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 1r4m_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 0.000 176.347 176.300 0.079 0.000 2.045 12 D CA 0.000 54.011 54.000 0.019 0.000 0.868 12 D CB 0.000 40.875 40.800 0.125 0.000 0.688 13 W N 1.065 122.342 121.300 -0.038 0.000 2.950 13 W HA 0.744 5.404 4.660 -0.000 0.000 0.340 13 W C -0.569 175.914 176.519 -0.061 0.000 1.139 13 W CA -0.873 56.444 57.345 -0.046 0.000 1.188 13 W CB 0.438 29.860 29.460 -0.064 0.000 1.426 13 W HN -0.326 nan 8.180 nan 0.000 0.531 14 E N 1.580 121.925 120.200 0.241 0.000 2.729 14 E HA 0.220 4.570 4.350 -0.000 0.000 0.246 14 E C 1.144 177.815 176.600 0.119 0.000 0.984 14 E CA 2.430 58.908 56.400 0.130 0.000 0.951 14 E CB 0.332 30.103 29.700 0.118 0.000 0.914 14 E HN 1.022 nan 8.360 nan 0.000 0.509 15 G N 4.535 113.318 108.800 -0.030 0.000 2.284 15 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.230 15 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.230 15 G C 1.275 176.031 174.900 -0.240 0.000 1.021 15 G CA 0.551 45.608 45.100 -0.073 0.000 0.619 15 G HN 0.572 nan 8.290 nan 0.000 0.510 16 R N -0.047 120.123 120.500 -0.550 0.000 2.227 16 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 16 R C 1.780 177.585 176.300 -0.825 0.000 1.119 16 R CA 2.814 58.278 56.100 -1.060 0.000 0.930 16 R CB -0.472 28.570 30.300 -2.096 0.000 0.912 16 R HN 0.626 nan 8.270 nan 0.000 0.435 17 W N 0.115 121.261 121.300 -0.257 0.000 3.305 17 W HA 0.238 4.898 4.660 -0.000 0.000 0.392 17 W C 1.152 177.626 176.519 -0.075 0.000 1.121 17 W CA -0.868 56.400 57.345 -0.128 0.000 1.909 17 W CB 0.097 29.501 29.460 -0.094 0.000 1.065 17 W HN 0.250 nan 8.180 nan 0.000 0.714 18 N N 0.252 118.940 118.700 -0.020 0.000 2.149 18 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 18 N C 1.054 176.599 175.510 0.059 0.000 1.019 18 N CA 1.443 54.471 53.050 -0.038 0.000 0.857 18 N CB -0.385 37.989 38.487 -0.187 0.000 0.997 18 N HN 0.393 nan 8.380 nan 0.000 0.426 19 H N -1.553 117.611 119.070 0.156 0.000 2.567 19 H HA 0.077 4.633 4.556 0.000 0.000 0.276 19 H C 1.075 176.580 175.328 0.295 0.000 1.016 19 H CA 0.160 56.324 56.048 0.193 0.000 1.186 19 H CB 0.526 30.371 29.762 0.137 0.000 1.351 19 H HN 0.046 nan 8.280 nan 0.000 0.605 20 V N -0.418 119.735 119.914 0.398 0.000 2.996 20 V HA -0.081 4.039 4.120 -0.000 0.000 0.235 20 V C 1.875 178.221 176.094 0.421 0.000 1.205 20 V CA 0.341 62.884 62.300 0.405 0.000 1.225 20 V CB 0.161 32.177 31.823 0.321 0.000 0.995 20 V HN 0.182 nan 8.190 nan 0.000 0.484 21 K N 0.927 121.499 120.400 0.287 0.000 2.144 21 K HA -0.296 4.024 4.320 -0.000 0.000 0.209 21 K C 2.051 178.752 176.600 0.170 0.000 1.047 21 K CA 1.884 58.292 56.287 0.203 0.000 0.927 21 K CB -0.269 32.314 32.500 0.139 0.000 0.716 21 K HN 0.372 nan 8.250 nan 0.000 0.454 22 K N -0.189 120.273 120.400 0.104 0.000 2.211 22 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 22 K C 1.691 178.191 176.600 -0.167 0.000 1.047 22 K CA 1.374 57.604 56.287 -0.095 0.000 0.935 22 K CB -0.085 32.255 32.500 -0.265 0.000 0.728 22 K HN 0.110 nan 8.250 nan 0.000 0.452 23 F N -0.291 119.779 119.950 0.199 0.000 2.698 23 F HA 0.103 4.630 4.527 -0.000 0.000 0.295 23 F C 1.501 177.475 175.800 0.291 0.000 1.124 23 F CA 0.408 58.545 58.000 0.227 0.000 1.426 23 F CB 0.187 39.394 39.000 0.344 0.000 1.120 23 F HN -0.114 nan 8.300 nan 0.000 0.583 24 L N -1.004 120.489 121.223 0.450 0.000 2.515 24 L HA 0.136 4.476 4.340 -0.000 0.000 0.223 24 L C 1.604 178.649 176.870 0.291 0.000 1.079 24 L CA 0.512 55.600 54.840 0.413 0.000 0.857 24 L CB -0.134 42.078 42.059 0.256 0.000 1.050 24 L HN 0.057 nan 8.230 nan 0.000 0.476 25 E N 0.536 120.862 120.200 0.210 0.000 2.415 25 E HA 0.107 4.457 4.350 -0.000 0.000 0.197 25 E C 0.186 176.866 176.600 0.133 0.000 1.007 25 E CA 0.077 56.550 56.400 0.122 0.000 0.890 25 E CB 0.568 30.312 29.700 0.074 0.000 0.891 25 E HN 0.388 nan 8.360 nan 0.000 0.496 26 R N 1.049 121.646 120.500 0.162 0.000 2.589 26 R HA 0.341 4.681 4.340 -0.000 0.000 0.293 26 R C -0.101 176.295 176.300 0.160 0.000 0.963 26 R CA -0.445 55.721 56.100 0.110 0.000 0.905 26 R CB 1.799 32.105 30.300 0.009 0.000 1.144 26 R HN -0.044 nan 8.270 nan 0.000 0.459 27 S N 0.127 115.911 115.700 0.139 0.000 2.681 27 S HA 0.816 5.286 4.470 -0.000 0.000 0.270 27 S C 0.310 174.872 174.600 -0.064 0.000 1.209 27 S CA -0.523 57.737 58.200 0.100 0.000 0.988 27 S CB 1.737 65.020 63.200 0.139 0.000 1.006 27 S HN 0.780 nan 8.310 nan 0.000 0.558 28 G N -0.862 107.859 108.800 -0.131 0.000 2.623 28 G HA2 0.551 4.511 3.960 -0.000 0.000 0.290 28 G HA3 0.551 4.511 3.960 -0.000 0.000 0.290 28 G C -2.899 171.923 174.900 -0.131 0.000 1.437 28 G CA -1.104 43.934 45.100 -0.104 0.000 0.798 28 G HN 0.451 nan 8.290 nan 0.000 0.488 29 P HA 0.105 nan 4.420 nan 0.000 0.221 29 P C 0.671 177.636 177.300 -0.558 0.000 1.150 29 P CA 0.901 63.743 63.100 -0.431 0.000 0.800 29 P CB 0.055 31.356 31.700 -0.665 0.000 0.787 30 F N -2.399 117.544 119.950 -0.012 0.000 2.639 30 F HA 0.227 4.754 4.527 -0.000 0.000 0.302 30 F C 1.134 176.890 175.800 -0.075 0.000 1.097 30 F CA -0.379 57.642 58.000 0.035 0.000 1.294 30 F CB -0.860 38.260 39.000 0.200 0.000 1.027 30 F HN -0.283 nan 8.300 nan 0.000 0.550 31 T N 0.205 114.684 114.554 -0.125 0.000 2.916 31 T HA -0.042 4.308 4.350 -0.000 0.000 0.303 31 T C 0.004 174.664 174.700 -0.067 0.000 1.025 31 T CA -0.029 61.889 62.100 -0.303 0.000 1.142 31 T CB 0.002 68.597 68.868 -0.454 0.000 0.947 31 T HN 0.397 nan 8.240 nan 0.000 0.544 32 H N 5.457 124.487 119.070 -0.067 0.000 2.972 32 H HA 0.158 4.714 4.556 -0.000 0.000 0.343 32 H C -1.681 173.688 175.328 0.068 0.000 1.054 32 H CA -0.707 55.363 56.048 0.036 0.000 1.412 32 H CB 0.710 30.512 29.762 0.067 0.000 1.385 32 H HN 0.432 nan 8.280 nan 0.000 0.600 33 P HA -0.219 nan 4.420 nan 0.000 0.215 33 P C 0.701 177.957 177.300 -0.074 0.000 1.163 33 P CA 1.929 64.840 63.100 -0.315 0.000 0.894 33 P CB 0.203 31.665 31.700 -0.397 0.000 0.791 34 D N -1.874 118.560 120.400 0.057 0.000 2.392 34 D HA -0.075 4.565 4.640 -0.000 0.000 0.228 34 D C 0.502 176.911 176.300 0.182 0.000 1.003 34 D CA 0.293 54.405 54.000 0.186 0.000 0.917 34 D CB -0.550 40.410 40.800 0.267 0.000 0.890 34 D HN 0.200 nan 8.370 nan 0.000 0.532 35 F N 2.180 122.184 119.950 0.090 0.000 2.538 35 F HA 0.045 4.572 4.527 0.000 0.000 0.371 35 F C 0.468 176.259 175.800 -0.016 0.000 1.087 35 F CA 0.125 58.142 58.000 0.028 0.000 1.250 35 F CB 0.611 39.621 39.000 0.017 0.000 1.110 35 F HN -0.312 nan 8.300 nan 0.000 0.570 36 E N 7.994 127.710 120.200 -0.806 0.000 2.220 36 E HA 0.229 4.579 4.350 -0.000 0.000 0.256 36 E C -2.518 173.538 176.600 -0.907 0.000 0.881 36 E CA -2.122 53.926 56.400 -0.587 0.000 0.766 36 E CB 1.315 30.809 29.700 -0.344 0.000 1.187 36 E HN 0.365 nan 8.360 nan 0.000 0.419 37 P HA 0.019 nan 4.420 nan 0.000 0.267 37 P C -0.301 176.876 177.300 -0.206 0.000 1.209 37 P CA 0.194 63.133 63.100 -0.268 0.000 0.763 37 P CB 0.909 32.669 31.700 0.100 0.000 0.816 38 S N 1.449 117.047 115.700 -0.170 0.000 2.556 38 S HA 0.334 4.804 4.470 -0.000 0.000 0.271 38 S C 0.683 175.247 174.600 -0.060 0.000 1.135 38 S CA -0.346 57.780 58.200 -0.124 0.000 0.858 38 S CB 1.602 64.694 63.200 -0.180 0.000 1.114 38 S HN 0.421 nan 8.310 nan 0.000 0.468 39 T N 1.035 115.561 114.554 -0.046 0.000 3.081 39 T HA 0.199 4.549 4.350 -0.000 0.000 0.255 39 T C 1.141 175.827 174.700 -0.024 0.000 1.113 39 T CA 1.214 63.303 62.100 -0.018 0.000 1.082 39 T CB -0.248 68.613 68.868 -0.012 0.000 0.939 39 T HN 0.681 nan 8.240 nan 0.000 0.506 40 E N -0.187 119.982 120.200 -0.052 0.000 2.340 40 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 40 E C 2.062 178.638 176.600 -0.040 0.000 0.996 40 E CA 0.310 56.682 56.400 -0.047 0.000 0.869 40 E CB 0.132 29.785 29.700 -0.078 0.000 0.835 40 E HN 0.421 nan 8.360 nan 0.000 0.493 41 S N 1.501 117.159 115.700 -0.071 0.000 2.380 41 S HA -0.253 4.217 4.470 -0.000 0.000 0.229 41 S C 1.854 176.440 174.600 -0.025 0.000 1.050 41 S CA 1.548 59.711 58.200 -0.061 0.000 1.100 41 S CB -0.560 62.587 63.200 -0.088 0.000 0.984 41 S HN 0.336 nan 8.310 nan 0.000 0.434 42 L N 1.856 123.053 121.223 -0.044 0.000 1.997 42 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 42 L C 2.352 179.127 176.870 -0.159 0.000 1.074 42 L CA 2.192 56.964 54.840 -0.114 0.000 0.763 42 L CB -1.117 40.884 42.059 -0.097 0.000 0.890 42 L HN 0.229 nan 8.230 nan 0.000 0.434 43 Q N -1.213 118.540 119.800 -0.078 0.000 2.084 43 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 43 Q C 2.087 178.066 176.000 -0.035 0.000 0.978 43 Q CA 2.103 57.868 55.803 -0.062 0.000 0.844 43 Q CB -0.674 28.063 28.738 -0.002 0.000 0.898 43 Q HN 0.564 nan 8.270 nan 0.000 0.426 44 F N -0.148 119.719 119.950 -0.140 0.000 2.095 44 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 44 F C 1.822 177.523 175.800 -0.164 0.000 1.104 44 F CA 1.424 59.345 58.000 -0.132 0.000 1.232 44 F CB -0.648 38.272 39.000 -0.134 0.000 0.987 44 F HN 0.274 nan 8.300 nan 0.000 0.475 45 L N 0.162 121.301 121.223 -0.140 0.000 1.989 45 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 45 L C 2.223 178.881 176.870 -0.354 0.000 1.071 45 L CA 1.874 56.525 54.840 -0.315 0.000 0.749 45 L CB -1.006 40.806 42.059 -0.412 0.000 0.890 45 L HN 0.212 nan 8.230 nan 0.000 0.431 46 L N -0.580 120.444 121.223 -0.331 0.000 2.042 46 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 46 L C 2.181 178.947 176.870 -0.173 0.000 1.076 46 L CA 1.574 56.249 54.840 -0.274 0.000 0.749 46 L CB -0.734 41.157 42.059 -0.280 0.000 0.893 46 L HN 0.357 nan 8.230 nan 0.000 0.432 47 D N -1.595 118.690 120.400 -0.193 0.000 2.183 47 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 47 D C 2.138 178.313 176.300 -0.208 0.000 0.962 47 D CA 1.880 55.780 54.000 -0.167 0.000 0.849 47 D CB 0.013 40.723 40.800 -0.151 0.000 0.978 47 D HN 0.396 nan 8.370 nan 0.000 0.488 48 T N -2.697 111.642 114.554 -0.359 0.000 2.969 48 T HA 0.064 4.414 4.350 -0.000 0.000 0.250 48 T C 1.116 175.752 174.700 -0.107 0.000 1.021 48 T CA -0.345 61.554 62.100 -0.334 0.000 1.003 48 T CB -0.475 67.969 68.868 -0.705 0.000 1.040 48 T HN 0.049 nan 8.240 nan 0.000 0.492 49 C N 3.772 123.018 119.300 -0.090 0.000 2.610 49 C HA 0.415 4.875 4.460 -0.000 0.000 0.382 49 C C 0.464 175.644 174.990 0.317 0.000 1.287 49 C CA -0.738 58.406 59.018 0.210 0.000 1.640 49 C CB -1.657 26.133 27.740 0.085 0.000 2.335 49 C HN 0.431 nan 8.230 nan 0.000 0.577 50 K N 4.889 125.470 120.400 0.300 0.000 2.285 50 K HA 0.510 4.830 4.320 -0.000 0.000 0.286 50 K C -0.753 176.004 176.600 0.261 0.000 1.072 50 K CA -0.219 56.134 56.287 0.110 0.000 0.913 50 K CB 0.953 33.282 32.500 -0.286 0.000 1.067 50 K HN 0.580 nan 8.250 nan 0.000 0.479 51 V N 5.112 125.212 119.914 0.310 0.000 2.555 51 V HA 0.345 4.465 4.120 -0.000 0.000 0.302 51 V C -0.797 175.329 176.094 0.053 0.000 1.038 51 V CA -1.076 61.320 62.300 0.160 0.000 0.887 51 V CB 1.678 33.482 31.823 -0.032 0.000 0.991 51 V HN 0.550 nan 8.190 nan 0.000 0.434 52 L N 6.048 127.100 121.223 -0.286 0.000 2.313 52 L HA 0.704 5.044 4.340 -0.000 0.000 0.283 52 L C -0.600 176.104 176.870 -0.278 0.000 1.013 52 L CA 0.020 54.511 54.840 -0.581 0.000 0.816 52 L CB 1.738 42.897 42.059 -1.499 0.000 1.236 52 L HN 0.425 nan 8.230 nan 0.000 0.419 53 V N 6.997 126.825 119.914 -0.144 0.000 2.370 53 V HA 0.419 4.539 4.120 -0.000 0.000 0.283 53 V C 0.183 176.254 176.094 -0.039 0.000 1.023 53 V CA -0.344 61.908 62.300 -0.081 0.000 0.857 53 V CB 1.364 33.161 31.823 -0.044 0.000 0.985 53 V HN 0.609 nan 8.190 nan 0.000 0.443 54 I N 5.168 125.721 120.570 -0.029 0.000 2.306 54 I HA 0.708 4.878 4.170 -0.000 0.000 0.288 54 I C 0.707 176.838 176.117 0.023 0.000 1.036 54 I CA 0.047 61.358 61.300 0.019 0.000 1.221 54 I CB 1.051 39.073 38.000 0.036 0.000 1.385 54 I HN 0.854 nan 8.210 nan 0.000 0.472 55 G N 4.672 113.498 108.800 0.042 0.000 2.640 55 G HA2 0.241 4.201 3.960 -0.000 0.000 0.686 55 G HA3 0.241 4.201 3.960 -0.000 0.000 0.686 55 G C -0.835 174.088 174.900 0.037 0.000 1.229 55 G CA -0.351 44.772 45.100 0.039 0.000 0.796 55 G HN 0.942 nan 8.290 nan 0.000 0.654 56 A N 0.465 123.319 122.820 0.056 0.000 3.453 56 A HA 0.847 5.167 4.320 -0.000 0.000 0.262 56 A C 0.520 178.170 177.584 0.109 0.000 1.026 56 A CA 0.717 52.795 52.037 0.069 0.000 0.938 56 A CB 0.312 19.385 19.000 0.121 0.000 1.246 56 A HN 2.480 nan 8.150 nan 0.000 0.546 57 G N -0.480 108.341 108.800 0.035 0.000 4.101 57 G HA2 0.597 4.557 3.960 -0.000 0.000 0.262 57 G HA3 0.597 4.557 3.960 -0.000 0.000 0.262 57 G C 0.536 175.426 174.900 -0.017 0.000 1.181 57 G CA 0.779 45.906 45.100 0.044 0.000 0.640 57 G HN 1.852 nan 8.290 nan 0.000 0.467 58 G N 0.506 109.261 108.800 -0.075 0.000 2.780 58 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.237 58 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.237 58 G C 1.312 176.197 174.900 -0.027 0.000 1.965 58 G CA 0.133 45.212 45.100 -0.035 0.000 1.577 58 G HN 0.646 nan 8.290 nan 0.000 0.543 59 L N 1.961 123.169 121.223 -0.026 0.000 2.012 59 L HA 0.063 4.403 4.340 -0.000 0.000 0.210 59 L C 3.245 180.092 176.870 -0.038 0.000 1.073 59 L CA 2.180 57.001 54.840 -0.031 0.000 0.748 59 L CB -0.957 41.083 42.059 -0.032 0.000 0.891 59 L HN 0.628 nan 8.230 nan 0.000 0.431 60 G N -0.517 108.258 108.800 -0.042 0.000 2.545 60 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 60 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 60 G C 1.639 176.481 174.900 -0.097 0.000 1.218 60 G CA 1.110 46.180 45.100 -0.050 0.000 0.787 60 G HN 0.422 nan 8.290 nan 0.000 0.571 61 C N 0.019 119.205 119.300 -0.189 0.000 2.393 61 C HA -0.025 4.435 4.460 -0.000 0.000 0.276 61 C C 2.746 177.646 174.990 -0.151 0.000 1.215 61 C CA 1.215 60.002 59.018 -0.384 0.000 1.743 61 C CB -0.891 26.360 27.740 -0.814 0.000 2.044 61 C HN 0.608 nan 8.230 nan 0.000 0.464 62 E N 0.762 120.997 120.200 0.058 0.000 2.070 62 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 62 E C 2.000 178.634 176.600 0.056 0.000 1.004 62 E CA 1.257 57.760 56.400 0.172 0.000 0.805 62 E CB -0.478 29.274 29.700 0.087 0.000 0.744 62 E HN 0.577 nan 8.360 nan 0.000 0.451 63 L N -0.216 121.002 121.223 -0.008 0.000 1.989 63 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 63 L C 2.543 179.398 176.870 -0.025 0.000 1.071 63 L CA 1.213 56.032 54.840 -0.035 0.000 0.749 63 L CB -0.495 41.530 42.059 -0.057 0.000 0.890 63 L HN 0.240 nan 8.230 nan 0.000 0.431 64 L N -0.186 121.022 121.223 -0.025 0.000 1.990 64 L HA -0.318 4.022 4.340 -0.000 0.000 0.213 64 L C 2.767 179.664 176.870 0.046 0.000 1.072 64 L CA 1.746 56.582 54.840 -0.006 0.000 0.755 64 L CB -0.539 41.498 42.059 -0.037 0.000 0.889 64 L HN 0.304 nan 8.230 nan 0.000 0.432 65 K N 0.029 120.474 120.400 0.074 0.000 2.009 65 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 65 K C 1.945 178.609 176.600 0.108 0.000 1.049 65 K CA 1.894 58.259 56.287 0.129 0.000 0.929 65 K CB -0.058 32.570 32.500 0.214 0.000 0.714 65 K HN 0.284 nan 8.250 nan 0.000 0.440 66 N N 1.115 119.855 118.700 0.066 0.000 2.069 66 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 66 N C 1.971 177.533 175.510 0.087 0.000 1.031 66 N CA 1.426 54.503 53.050 0.046 0.000 0.852 66 N CB -0.445 38.039 38.487 -0.005 0.000 1.018 66 N HN 0.222 nan 8.380 nan 0.000 0.423 67 L N 0.676 121.931 121.223 0.054 0.000 2.046 67 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 67 L C 2.473 179.517 176.870 0.289 0.000 1.077 67 L CA 1.150 56.038 54.840 0.081 0.000 0.747 67 L CB -0.562 41.400 42.059 -0.161 0.000 0.896 67 L HN 0.117 nan 8.230 nan 0.000 0.432 68 A N 0.164 123.117 122.820 0.222 0.000 1.908 68 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 68 A C 2.075 179.879 177.584 0.367 0.000 1.181 68 A CA 1.508 53.710 52.037 0.275 0.000 0.627 68 A CB -0.724 18.407 19.000 0.218 0.000 0.818 68 A HN 0.418 nan 8.150 nan 0.000 0.445 69 L N -0.309 121.103 121.223 0.314 0.000 2.612 69 L HA 0.089 4.429 4.340 -0.000 0.000 0.230 69 L C 1.309 178.426 176.870 0.413 0.000 1.140 69 L CA 0.268 55.325 54.840 0.363 0.000 0.896 69 L CB 0.101 42.287 42.059 0.211 0.000 1.065 69 L HN 0.242 nan 8.230 nan 0.000 0.447 70 S N -0.477 115.439 115.700 0.361 0.000 2.559 70 S HA 0.305 4.775 4.470 -0.000 0.000 0.226 70 S C 1.270 175.970 174.600 0.167 0.000 1.000 70 S CA 0.573 58.934 58.200 0.267 0.000 0.948 70 S CB 1.067 64.448 63.200 0.302 0.000 0.870 70 S HN 0.569 nan 8.310 nan 0.000 0.497 71 G N 1.103 109.865 108.800 -0.064 0.000 2.159 71 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.170 71 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.170 71 G C -0.265 174.323 174.900 -0.520 0.000 1.007 71 G CA -0.766 43.957 45.100 -0.628 0.000 0.672 71 G HN 0.344 nan 8.290 nan 0.000 0.507 72 F N 0.413 120.317 119.950 -0.077 0.000 2.421 72 F HA 0.736 5.263 4.527 0.000 0.000 0.337 72 F C 1.457 177.262 175.800 0.009 0.000 1.105 72 F CA -0.897 57.091 58.000 -0.019 0.000 1.049 72 F CB 1.523 40.550 39.000 0.045 0.000 1.139 72 F HN -0.133 nan 8.300 nan 0.000 0.479 73 R N 0.093 120.686 120.500 0.155 0.000 2.243 73 R HA 0.111 4.451 4.340 -0.000 0.000 0.193 73 R C -0.025 176.354 176.300 0.131 0.000 0.933 73 R CA 0.182 56.355 56.100 0.121 0.000 1.105 73 R CB 0.190 30.521 30.300 0.052 0.000 1.169 73 R HN 0.476 nan 8.270 nan 0.000 0.599 74 Q N 1.921 121.808 119.800 0.145 0.000 2.837 74 Q HA 0.300 4.640 4.340 -0.000 0.000 0.235 74 Q C -0.247 175.906 176.000 0.255 0.000 1.348 74 Q CA 0.445 56.347 55.803 0.164 0.000 0.990 74 Q CB -0.261 28.557 28.738 0.134 0.000 1.570 74 Q HN 0.308 nan 8.270 nan 0.000 0.575 75 I N 1.541 122.229 120.570 0.198 0.000 2.404 75 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 75 I C 0.311 176.530 176.117 0.171 0.000 0.992 75 I CA -0.695 60.728 61.300 0.204 0.000 1.149 75 I CB 1.370 39.441 38.000 0.118 0.000 1.315 75 I HN 0.313 nan 8.210 nan 0.000 0.446 76 H N 4.684 123.840 119.070 0.144 0.000 2.621 76 H HA 0.671 5.227 4.556 -0.000 0.000 0.360 76 H C -1.109 174.278 175.328 0.098 0.000 1.163 76 H CA -0.856 55.308 56.048 0.193 0.000 1.194 76 H CB 3.002 33.001 29.762 0.396 0.000 1.649 76 H HN 0.214 nan 8.280 nan 0.000 0.532 77 V N 4.167 124.232 119.914 0.251 0.000 2.623 77 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 77 V C -0.126 176.104 176.094 0.227 0.000 1.054 77 V CA -0.594 61.802 62.300 0.159 0.000 0.882 77 V CB 2.069 33.944 31.823 0.087 0.000 1.002 77 V HN 0.545 nan 8.190 nan 0.000 0.424 78 I N 3.736 124.415 120.570 0.182 0.000 2.493 78 I HA 0.688 4.858 4.170 -0.000 0.000 0.298 78 I C -0.797 175.420 176.117 0.168 0.000 0.998 78 I CA -0.182 61.248 61.300 0.217 0.000 1.137 78 I CB 1.913 40.016 38.000 0.172 0.000 1.310 78 I HN 0.626 nan 8.210 nan 0.000 0.445 79 D N 5.781 126.299 120.400 0.197 0.000 2.530 79 D HA 0.121 4.761 4.640 -0.000 0.000 0.193 79 D C -0.195 176.253 176.300 0.246 0.000 1.243 79 D CA -0.402 53.694 54.000 0.161 0.000 0.803 79 D CB 1.267 42.139 40.800 0.120 0.000 1.955 79 D HN 0.621 nan 8.370 nan 0.000 0.529 80 M N 0.165 119.874 119.600 0.182 0.000 2.561 80 M HA 0.287 4.767 4.480 -0.000 0.000 0.238 80 M C -0.132 176.347 176.300 0.298 0.000 1.131 80 M CA 0.164 55.585 55.300 0.201 0.000 1.046 80 M CB 0.235 32.842 32.600 0.011 0.000 1.532 80 M HN -0.064 nan 8.290 nan 0.000 0.497 81 D N 1.728 122.235 120.400 0.178 0.000 2.387 81 D HA 0.306 4.946 4.640 -0.000 0.000 0.251 81 D C -0.460 175.838 176.300 -0.004 0.000 1.141 81 D CA 0.112 54.164 54.000 0.087 0.000 0.987 81 D CB 1.410 42.222 40.800 0.020 0.000 1.116 81 D HN -0.012 nan 8.370 nan 0.000 0.491 82 T N 0.435 114.953 114.554 -0.061 0.000 2.856 82 T HA 0.409 4.759 4.350 -0.000 0.000 0.283 82 T C 0.459 175.036 174.700 -0.205 0.000 1.008 82 T CA -0.589 61.412 62.100 -0.165 0.000 0.997 82 T CB 0.840 69.653 68.868 -0.091 0.000 0.992 82 T HN 0.137 nan 8.240 nan 0.000 0.454 83 I N 3.671 124.044 120.570 -0.329 0.000 2.752 83 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 83 I C 0.661 176.684 176.117 -0.156 0.000 1.197 83 I CA 0.423 61.522 61.300 -0.336 0.000 1.432 83 I CB 0.256 37.965 38.000 -0.485 0.000 1.359 83 I HN 0.538 nan 8.210 nan 0.000 0.571 84 D N 4.994 125.344 120.400 -0.083 0.000 2.433 84 D HA 0.119 4.759 4.640 -0.000 0.000 0.236 84 D C 0.556 176.856 176.300 0.000 0.000 1.026 84 D CA -0.621 53.357 54.000 -0.037 0.000 0.884 84 D CB 2.544 43.328 40.800 -0.026 0.000 1.384 84 D HN 0.300 nan 8.370 nan 0.000 0.477 85 V N 2.924 122.841 119.914 0.005 0.000 2.469 85 V HA -0.192 3.928 4.120 -0.000 0.000 0.251 85 V C 1.784 177.898 176.094 0.034 0.000 1.064 85 V CA 2.809 65.123 62.300 0.023 0.000 1.066 85 V CB -0.449 31.386 31.823 0.020 0.000 0.667 85 V HN 0.640 nan 8.190 nan 0.000 0.461 86 S N -0.559 115.157 115.700 0.026 0.000 2.840 86 S HA 0.110 4.580 4.470 -0.000 0.000 0.235 86 S C 0.937 175.559 174.600 0.036 0.000 0.968 86 S CA 0.322 58.537 58.200 0.026 0.000 1.026 86 S CB -0.538 62.670 63.200 0.013 0.000 0.788 86 S HN 0.703 nan 8.310 nan 0.000 0.487 87 N N 1.086 119.823 118.700 0.062 0.000 2.382 87 N HA 0.298 5.038 4.740 -0.000 0.000 0.200 87 N C 1.267 176.831 175.510 0.090 0.000 1.122 87 N CA 0.207 53.312 53.050 0.093 0.000 0.870 87 N CB -0.289 38.307 38.487 0.182 0.000 1.176 87 N HN 0.360 nan 8.380 nan 0.000 0.474 88 L N 1.825 123.102 121.223 0.090 0.000 2.551 88 L HA -0.074 4.266 4.340 -0.000 0.000 0.230 88 L C 1.648 178.550 176.870 0.053 0.000 1.163 88 L CA 0.786 55.672 54.840 0.078 0.000 0.826 88 L CB -0.575 41.532 42.059 0.079 0.000 0.943 88 L HN 0.268 nan 8.230 nan 0.000 0.452 89 N N 1.251 119.976 118.700 0.041 0.000 2.412 89 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 89 N C 1.519 177.047 175.510 0.030 0.000 1.101 89 N CA 0.626 53.695 53.050 0.033 0.000 0.881 89 N CB 0.272 38.774 38.487 0.024 0.000 0.969 89 N HN 0.556 nan 8.380 nan 0.000 0.459 90 R N -1.182 119.336 120.500 0.031 0.000 2.725 90 R HA 0.182 4.522 4.340 -0.000 0.000 0.207 90 R C 0.005 176.334 176.300 0.048 0.000 0.924 90 R CA -0.290 55.832 56.100 0.037 0.000 1.098 90 R CB -0.213 30.096 30.300 0.016 0.000 1.602 90 R HN -0.024 nan 8.270 nan 0.000 0.615 91 Q N 2.568 122.338 119.800 -0.049 0.000 2.837 91 Q HA 0.123 4.463 4.340 -0.000 0.000 0.235 91 Q C -0.196 175.513 176.000 -0.485 0.000 1.348 91 Q CA -0.305 55.312 55.803 -0.311 0.000 0.990 91 Q CB 0.007 28.579 28.738 -0.277 0.000 1.570 91 Q HN 0.441 nan 8.270 nan 0.000 0.575 92 F N -1.161 118.559 119.950 -0.383 0.000 2.664 92 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 92 F C 0.535 176.010 175.800 -0.542 0.000 1.164 92 F CA 0.513 58.301 58.000 -0.354 0.000 1.472 92 F CB -0.137 38.700 39.000 -0.272 0.000 1.108 92 F HN 0.285 nan 8.300 nan 0.000 0.596 93 L N -0.488 119.951 121.223 -1.307 0.000 2.607 93 L HA 0.271 4.611 4.340 -0.000 0.000 0.228 93 L C -0.277 176.369 176.870 -0.372 0.000 1.123 93 L CA -0.086 54.029 54.840 -1.208 0.000 0.890 93 L CB -0.273 41.043 42.059 -1.239 0.000 1.103 93 L HN 0.079 nan 8.230 nan 0.000 0.468 94 F N -0.137 119.722 119.950 -0.152 0.000 2.508 94 F HA 0.577 5.104 4.527 -0.000 0.000 0.325 94 F C 0.495 176.309 175.800 0.023 0.000 1.090 94 F CA -1.280 56.701 58.000 -0.033 0.000 0.945 94 F CB 1.419 40.380 39.000 -0.065 0.000 1.156 94 F HN -0.196 nan 8.300 nan 0.000 0.463 95 R N 1.878 122.525 120.500 0.244 0.000 2.902 95 R HA 0.383 4.723 4.340 -0.000 0.000 0.258 95 R C -2.024 174.341 176.300 0.108 0.000 1.071 95 R CA -2.437 53.757 56.100 0.155 0.000 1.024 95 R CB 0.783 31.167 30.300 0.140 0.000 1.184 95 R HN 0.215 nan 8.270 nan 0.000 0.492 96 P HA -0.183 nan 4.420 nan 0.000 0.218 96 P C 0.898 178.216 177.300 0.030 0.000 1.148 96 P CA 1.664 64.792 63.100 0.048 0.000 0.822 96 P CB 0.225 31.949 31.700 0.040 0.000 0.784 97 K N -0.455 119.965 120.400 0.034 0.000 2.147 97 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 97 K C 1.066 177.669 176.600 0.005 0.000 1.049 97 K CA 1.720 58.018 56.287 0.018 0.000 0.936 97 K CB -0.743 31.770 32.500 0.021 0.000 0.722 97 K HN 0.062 nan 8.250 nan 0.000 0.446 98 D N 1.147 121.556 120.400 0.015 0.000 2.355 98 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 98 D C 0.669 176.920 176.300 -0.081 0.000 1.004 98 D CA 0.247 54.232 54.000 -0.026 0.000 0.880 98 D CB -0.037 40.768 40.800 0.009 0.000 0.911 98 D HN 0.282 nan 8.370 nan 0.000 0.528 99 I N 0.573 121.112 120.570 -0.052 0.000 2.826 99 I HA -0.044 4.126 4.170 -0.000 0.000 0.295 99 I C 1.798 177.862 176.117 -0.087 0.000 1.213 99 I CA 1.013 62.270 61.300 -0.072 0.000 1.436 99 I CB 0.513 38.493 38.000 -0.033 0.000 1.348 99 I HN 0.191 nan 8.210 nan 0.000 0.570 100 G N 5.405 114.136 108.800 -0.115 0.000 2.279 100 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.223 100 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.223 100 G C 0.469 175.281 174.900 -0.147 0.000 1.015 100 G CA -0.419 44.618 45.100 -0.105 0.000 0.621 100 G HN 0.583 nan 8.290 nan 0.000 0.506 101 R N 1.242 121.628 120.500 -0.189 0.000 2.649 101 R HA 0.464 4.804 4.340 -0.000 0.000 0.270 101 R C -2.645 173.431 176.300 -0.374 0.000 1.105 101 R CA -1.467 54.486 56.100 -0.245 0.000 1.193 101 R CB 0.110 30.283 30.300 -0.212 0.000 1.120 101 R HN 0.130 nan 8.270 nan 0.000 0.561 102 P HA 0.075 nan 4.420 nan 0.000 0.276 102 P C -0.306 176.686 177.300 -0.513 0.000 1.243 102 P CA -0.008 62.655 63.100 -0.728 0.000 0.768 102 P CB 0.776 31.772 31.700 -1.173 0.000 0.856 103 K N 3.029 123.153 120.400 -0.460 0.000 2.020 103 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 103 K C 1.948 178.476 176.600 -0.120 0.000 1.050 103 K CA 2.082 58.122 56.287 -0.412 0.000 0.929 103 K CB -0.711 31.658 32.500 -0.218 0.000 0.714 103 K HN 0.448 nan 8.250 nan 0.000 0.443 104 A N 1.600 124.379 122.820 -0.069 0.000 1.948 104 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 104 A C 2.119 179.688 177.584 -0.025 0.000 1.177 104 A CA 1.962 54.006 52.037 0.011 0.000 0.636 104 A CB -0.546 18.498 19.000 0.074 0.000 0.815 104 A HN 0.497 nan 8.150 nan 0.000 0.449 105 E N -0.201 119.930 120.200 -0.115 0.000 2.007 105 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 105 E C 1.914 178.494 176.600 -0.034 0.000 0.999 105 E CA 1.757 58.099 56.400 -0.097 0.000 0.811 105 E CB -0.223 29.374 29.700 -0.172 0.000 0.762 105 E HN 0.288 nan 8.360 nan 0.000 0.450 106 V N 1.646 121.532 119.914 -0.047 0.000 2.324 106 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 106 V C 2.548 178.763 176.094 0.202 0.000 1.060 106 V CA 1.936 64.276 62.300 0.067 0.000 1.042 106 V CB -1.074 30.767 31.823 0.029 0.000 0.650 106 V HN 0.489 nan 8.190 nan 0.000 0.450 107 A N 0.150 123.112 122.820 0.237 0.000 1.883 107 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 107 A C 2.449 180.097 177.584 0.107 0.000 1.186 107 A CA 2.478 54.617 52.037 0.170 0.000 0.624 107 A CB -0.913 18.169 19.000 0.136 0.000 0.822 107 A HN 0.604 nan 8.150 nan 0.000 0.444 108 A N -0.655 122.210 122.820 0.075 0.000 1.898 108 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 108 A C 2.029 179.661 177.584 0.081 0.000 1.181 108 A CA 1.780 53.850 52.037 0.054 0.000 0.620 108 A CB -0.623 18.380 19.000 0.005 0.000 0.819 108 A HN 0.681 nan 8.150 nan 0.000 0.442 109 E N -0.991 119.256 120.200 0.077 0.000 2.048 109 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 109 E C 1.831 178.496 176.600 0.108 0.000 1.021 109 E CA 1.777 58.218 56.400 0.069 0.000 0.825 109 E CB -0.323 29.411 29.700 0.056 0.000 0.756 109 E HN 0.628 nan 8.360 nan 0.000 0.454 110 F N 0.760 120.719 119.950 0.015 0.000 2.026 110 F HA -0.220 4.307 4.527 0.000 0.000 0.296 110 F C 2.392 178.204 175.800 0.020 0.000 1.133 110 F CA 1.476 59.484 58.000 0.014 0.000 1.188 110 F CB -0.235 38.760 39.000 -0.008 0.000 0.968 110 F HN 0.058 nan 8.300 nan 0.000 0.476 111 L N 0.588 122.062 121.223 0.419 0.000 2.042 111 L HA -0.314 4.026 4.340 -0.000 0.000 0.210 111 L C 2.072 179.059 176.870 0.194 0.000 1.076 111 L CA 1.481 56.496 54.840 0.291 0.000 0.749 111 L CB -0.635 41.516 42.059 0.154 0.000 0.893 111 L HN 0.221 nan 8.230 nan 0.000 0.432 112 N N -0.483 118.297 118.700 0.133 0.000 2.443 112 N HA -0.208 4.532 4.740 -0.000 0.000 0.184 112 N C 1.320 176.876 175.510 0.077 0.000 1.037 112 N CA 1.295 54.402 53.050 0.094 0.000 0.896 112 N CB -0.197 38.325 38.487 0.059 0.000 0.959 112 N HN 0.509 nan 8.380 nan 0.000 0.442 113 D N 0.604 121.038 120.400 0.056 0.000 2.269 113 D HA -0.046 4.594 4.640 -0.000 0.000 0.220 113 D C 1.904 178.217 176.300 0.022 0.000 0.962 113 D CA 0.356 54.356 54.000 -0.000 0.000 0.884 113 D CB 0.342 41.084 40.800 -0.097 0.000 1.023 113 D HN -0.055 nan 8.370 nan 0.000 0.484 114 R N 0.394 120.930 120.500 0.061 0.000 2.081 114 R HA -0.000 4.340 4.340 -0.000 0.000 0.235 114 R C 0.367 176.762 176.300 0.158 0.000 1.131 114 R CA 0.837 57.012 56.100 0.125 0.000 0.960 114 R CB -0.265 30.226 30.300 0.318 0.000 0.856 114 R HN 0.015 nan 8.270 nan 0.000 0.436 115 V N 2.326 122.350 119.914 0.182 0.000 2.277 115 V HA 0.222 4.342 4.120 -0.000 0.000 0.269 115 V C -1.729 174.479 176.094 0.190 0.000 1.036 115 V CA -1.650 60.769 62.300 0.198 0.000 0.821 115 V CB 1.262 33.215 31.823 0.217 0.000 1.052 115 V HN 0.191 nan 8.190 nan 0.000 0.462 116 P HA -0.285 nan 4.420 nan 0.000 0.223 116 P C 0.796 178.197 177.300 0.169 0.000 0.913 116 P CA 1.984 65.206 63.100 0.204 0.000 1.058 116 P CB 0.059 31.962 31.700 0.338 0.000 0.714 117 N N -2.813 115.999 118.700 0.187 0.000 2.275 117 N HA 0.078 4.818 4.740 -0.000 0.000 0.236 117 N C -0.061 175.535 175.510 0.144 0.000 1.154 117 N CA -0.161 52.980 53.050 0.153 0.000 0.866 117 N CB -0.361 38.219 38.487 0.155 0.000 1.093 117 N HN 0.179 nan 8.380 nan 0.000 0.515 118 C N 1.220 120.613 119.300 0.156 0.000 2.703 118 C HA 0.087 4.547 4.460 -0.000 0.000 0.411 118 C C 1.216 176.264 174.990 0.096 0.000 1.290 118 C CA 0.273 59.376 59.018 0.143 0.000 2.054 118 C CB -0.441 27.391 27.740 0.154 0.000 2.732 118 C HN 0.449 nan 8.230 nan 0.000 0.650 119 N N 2.346 121.092 118.700 0.077 0.000 2.723 119 N HA 0.270 5.010 4.740 -0.000 0.000 0.290 119 N C -1.034 174.474 175.510 -0.002 0.000 1.882 119 N CA -0.281 52.790 53.050 0.035 0.000 0.851 119 N CB 0.523 39.029 38.487 0.031 0.000 1.234 119 N HN 0.410 nan 8.380 nan 0.000 0.491 120 V N 1.141 121.058 119.914 0.004 0.000 2.508 120 V HA 0.226 4.346 4.120 -0.000 0.000 0.281 120 V C 0.279 176.306 176.094 -0.112 0.000 1.041 120 V CA -0.424 61.858 62.300 -0.030 0.000 1.016 120 V CB 1.135 32.968 31.823 0.016 0.000 0.984 120 V HN 0.094 nan 8.190 nan 0.000 0.478 121 V N 8.547 128.312 119.914 -0.247 0.000 2.370 121 V HA 0.391 4.511 4.120 -0.000 0.000 0.283 121 V C -1.962 173.948 176.094 -0.308 0.000 1.023 121 V CA -1.539 60.553 62.300 -0.347 0.000 0.857 121 V CB 1.879 33.315 31.823 -0.646 0.000 0.985 121 V HN 0.763 nan 8.190 nan 0.000 0.443 122 P HA 0.384 nan 4.420 nan 0.000 0.284 122 P C -1.137 175.961 177.300 -0.337 0.000 1.258 122 P CA -0.399 62.598 63.100 -0.172 0.000 0.824 122 P CB 1.177 32.833 31.700 -0.074 0.000 1.038 123 H N 2.094 121.268 119.070 0.174 0.000 3.036 123 H HA 0.154 4.710 4.556 -0.000 0.000 0.295 123 H C -0.837 174.655 175.328 0.273 0.000 1.124 123 H CA -0.441 55.746 56.048 0.232 0.000 1.507 123 H CB 0.387 30.297 29.762 0.248 0.000 1.591 123 H HN 0.317 nan 8.280 nan 0.000 0.510 124 F N 4.755 124.784 119.950 0.133 0.000 2.678 124 F HA 0.189 4.716 4.527 -0.000 0.000 0.358 124 F C -0.489 175.342 175.800 0.051 0.000 1.256 124 F CA -0.457 57.581 58.000 0.063 0.000 1.278 124 F CB -0.697 38.311 39.000 0.013 0.000 1.681 124 F HN 0.382 nan 8.300 nan 0.000 0.661 125 N N 2.562 121.346 118.700 0.140 0.000 3.157 125 N HA 0.358 5.098 4.740 -0.000 0.000 0.291 125 N C -1.354 174.159 175.510 0.004 0.000 1.515 125 N CA -0.837 52.179 53.050 -0.056 0.000 0.807 125 N CB 2.031 40.492 38.487 -0.044 0.000 1.672 125 N HN 0.259 nan 8.380 nan 0.000 0.592 126 K N -0.026 120.321 120.400 -0.089 0.000 2.259 126 K HA 0.439 4.759 4.320 -0.000 0.000 0.252 126 K C 1.349 177.914 176.600 -0.058 0.000 0.936 126 K CA -0.684 55.554 56.287 -0.081 0.000 0.810 126 K CB 1.777 34.177 32.500 -0.167 0.000 1.143 126 K HN 0.615 nan 8.250 nan 0.000 0.427 127 I N -1.331 119.225 120.570 -0.024 0.000 2.290 127 I HA -0.373 3.797 4.170 -0.000 0.000 0.253 127 I C 1.179 177.145 176.117 -0.252 0.000 1.112 127 I CA 1.273 62.607 61.300 0.057 0.000 1.377 127 I CB -0.510 37.506 38.000 0.028 0.000 1.060 127 I HN 0.598 nan 8.210 nan 0.000 0.428 128 Q N 1.170 120.556 119.800 -0.690 0.000 2.436 128 Q HA -0.105 4.235 4.340 -0.000 0.000 0.209 128 Q C 1.502 177.320 176.000 -0.305 0.000 0.965 128 Q CA 1.120 56.423 55.803 -0.834 0.000 0.910 128 Q CB -0.317 27.956 28.738 -0.775 0.000 0.980 128 Q HN 0.584 nan 8.270 nan 0.000 0.491 129 D N -0.715 119.498 120.400 -0.311 0.000 2.269 129 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 129 D C -0.173 175.828 176.300 -0.499 0.000 0.963 129 D CA 0.642 54.367 54.000 -0.458 0.000 0.864 129 D CB 0.170 40.539 40.800 -0.718 0.000 0.936 129 D HN 0.153 nan 8.370 nan 0.000 0.505 130 F N 0.665 120.585 119.950 -0.050 0.000 2.457 130 F HA 0.324 4.851 4.527 -0.000 0.000 0.330 130 F C 0.860 176.866 175.800 0.344 0.000 1.069 130 F CA -1.154 56.846 58.000 0.001 0.000 1.009 130 F CB 0.759 39.570 39.000 -0.316 0.000 1.276 130 F HN -0.221 nan 8.300 nan 0.000 0.492 131 N N -1.868 117.154 118.700 0.536 0.000 2.571 131 N HA 0.218 4.958 4.740 -0.000 0.000 0.273 131 N C -0.081 175.721 175.510 0.487 0.000 1.340 131 N CA -0.726 52.615 53.050 0.485 0.000 0.789 131 N CB 0.562 39.214 38.487 0.276 0.000 1.514 131 N HN 0.518 nan 8.380 nan 0.000 0.499 132 D N -0.308 120.305 120.400 0.355 0.000 2.347 132 D HA -0.358 4.282 4.640 -0.000 0.000 0.189 132 D C 1.047 177.483 176.300 0.227 0.000 1.020 132 D CA 2.756 56.916 54.000 0.268 0.000 0.875 132 D CB -1.438 39.443 40.800 0.136 0.000 0.928 132 D HN 0.658 nan 8.370 nan 0.000 0.454 133 T N 0.402 115.063 114.554 0.178 0.000 2.649 133 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 133 T C 1.581 176.339 174.700 0.097 0.000 1.036 133 T CA 1.789 63.959 62.100 0.117 0.000 1.157 133 T CB -0.686 68.253 68.868 0.119 0.000 0.861 133 T HN 0.253 nan 8.240 nan 0.000 0.445 134 F N 0.686 120.634 119.950 -0.003 0.000 2.113 134 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 134 F C 1.976 177.660 175.800 -0.193 0.000 1.103 134 F CA 0.915 58.816 58.000 -0.166 0.000 1.248 134 F CB -0.563 38.281 39.000 -0.259 0.000 0.999 134 F HN 0.208 nan 8.300 nan 0.000 0.475 135 Y N 0.117 120.435 120.300 0.030 0.000 2.373 135 Y HA -0.054 4.496 4.550 0.000 0.000 0.293 135 Y C 2.475 178.353 175.900 -0.037 0.000 1.129 135 Y CA 1.056 59.155 58.100 -0.002 0.000 1.226 135 Y CB -0.539 37.978 38.460 0.096 0.000 1.000 135 Y HN -0.060 nan 8.280 nan 0.000 0.549 136 R N 0.371 120.899 120.500 0.047 0.000 2.127 136 R HA -0.224 4.116 4.340 -0.000 0.000 0.238 136 R C 2.049 178.239 176.300 -0.184 0.000 1.134 136 R CA 1.623 57.703 56.100 -0.033 0.000 0.975 136 R CB -0.399 29.881 30.300 -0.034 0.000 0.865 136 R HN 0.538 nan 8.270 nan 0.000 0.447 137 Q N -0.151 119.403 119.800 -0.409 0.000 2.173 137 Q HA -0.163 4.177 4.340 -0.000 0.000 0.208 137 Q C 0.049 175.526 176.000 -0.872 0.000 0.989 137 Q CA 1.114 56.473 55.803 -0.740 0.000 0.872 137 Q CB -0.220 27.785 28.738 -1.222 0.000 0.909 137 Q HN 0.208 nan 8.270 nan 0.000 0.420 138 F N -0.736 118.963 119.950 -0.418 0.000 2.371 138 F HA 0.126 4.653 4.527 0.000 0.000 0.329 138 F C 1.496 177.140 175.800 -0.261 0.000 1.107 138 F CA -0.570 57.197 58.000 -0.387 0.000 1.137 138 F CB 0.548 39.367 39.000 -0.302 0.000 1.214 138 F HN -0.043 nan 8.300 nan 0.000 0.536 139 H N 1.518 120.653 119.070 0.108 0.000 2.465 139 H HA 0.354 4.910 4.556 -0.000 0.000 0.289 139 H C 0.237 175.600 175.328 0.058 0.000 1.022 139 H CA 1.015 57.097 56.048 0.056 0.000 1.340 139 H CB 0.409 30.200 29.762 0.049 0.000 1.437 139 H HN 0.308 nan 8.280 nan 0.000 0.539 140 I N 0.529 121.210 120.570 0.186 0.000 2.827 140 I HA 0.301 4.471 4.170 -0.000 0.000 0.298 140 I C -0.947 175.169 176.117 -0.002 0.000 1.235 140 I CA -0.665 60.679 61.300 0.074 0.000 1.021 140 I CB 3.389 41.419 38.000 0.049 0.000 1.259 140 I HN -0.198 nan 8.210 nan 0.000 0.427 141 I N 4.906 125.448 120.570 -0.046 0.000 2.447 141 I HA 0.456 4.626 4.170 -0.000 0.000 0.287 141 I C -0.944 175.118 176.117 -0.092 0.000 1.023 141 I CA -0.878 60.358 61.300 -0.106 0.000 1.083 141 I CB 2.181 40.128 38.000 -0.087 0.000 1.245 141 I HN 0.124 nan 8.210 nan 0.000 0.434 142 V N 4.896 124.745 119.914 -0.109 0.000 2.495 142 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 142 V C -0.182 175.870 176.094 -0.071 0.000 1.031 142 V CA -0.557 61.688 62.300 -0.092 0.000 0.871 142 V CB 1.713 33.469 31.823 -0.111 0.000 0.988 142 V HN 0.795 nan 8.190 nan 0.000 0.432 143 C N 2.955 122.223 119.300 -0.054 0.000 2.397 143 C HA 0.869 5.329 4.460 -0.000 0.000 0.343 143 C C 1.021 175.992 174.990 -0.031 0.000 1.188 143 C CA -0.226 58.773 59.018 -0.031 0.000 1.992 143 C CB 1.164 28.896 27.740 -0.013 0.000 2.358 143 C HN 1.132 nan 8.230 nan 0.000 0.518 144 G N 2.119 110.909 108.800 -0.017 0.000 4.831 144 G HA2 0.407 4.367 3.960 -0.000 0.000 0.231 144 G HA3 0.407 4.367 3.960 -0.000 0.000 0.231 144 G C -0.337 174.562 174.900 -0.002 0.000 1.006 144 G CA -0.154 44.937 45.100 -0.016 0.000 0.792 144 G HN 0.609 nan 8.290 nan 0.000 0.546 145 L N 0.136 121.362 121.223 0.005 0.000 2.482 145 L HA 0.389 4.729 4.340 -0.000 0.000 0.242 145 L C 1.056 177.926 176.870 0.001 0.000 1.210 145 L CA -0.419 54.425 54.840 0.008 0.000 0.819 145 L CB 0.786 42.853 42.059 0.013 0.000 1.203 145 L HN 0.350 nan 8.230 nan 0.000 0.495 146 D N -2.189 118.206 120.400 -0.009 0.000 2.556 146 D HA 0.081 4.721 4.640 -0.000 0.000 0.237 146 D C -0.147 176.128 176.300 -0.041 0.000 1.296 146 D CA -0.038 53.951 54.000 -0.018 0.000 0.807 146 D CB 0.333 41.124 40.800 -0.015 0.000 1.084 146 D HN 0.399 nan 8.370 nan 0.000 0.510 147 S N -1.051 114.617 115.700 -0.054 0.000 2.627 147 S HA 0.549 5.019 4.470 -0.000 0.000 0.283 147 S C 0.793 175.314 174.600 -0.131 0.000 1.127 147 S CA -0.852 57.294 58.200 -0.089 0.000 0.863 147 S CB 1.229 64.388 63.200 -0.069 0.000 1.121 147 S HN -0.064 nan 8.310 nan 0.000 0.479 148 I N 1.024 121.468 120.570 -0.208 0.000 2.277 148 I HA -0.077 4.093 4.170 -0.000 0.000 0.243 148 I C 2.077 178.125 176.117 -0.115 0.000 1.094 148 I CA 0.853 61.980 61.300 -0.288 0.000 1.393 148 I CB -0.485 37.253 38.000 -0.436 0.000 1.078 148 I HN 0.665 nan 8.210 nan 0.000 0.417 149 I N 1.518 122.044 120.570 -0.073 0.000 2.113 149 I HA -0.357 3.813 4.170 -0.000 0.000 0.242 149 I C 2.896 179.048 176.117 0.058 0.000 1.064 149 I CA 1.761 63.060 61.300 -0.002 0.000 1.320 149 I CB -0.879 37.117 38.000 -0.007 0.000 1.028 149 I HN 0.196 nan 8.210 nan 0.000 0.406 150 A N 1.020 123.857 122.820 0.029 0.000 1.908 150 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 150 A C 2.457 180.108 177.584 0.113 0.000 1.181 150 A CA 1.636 53.714 52.037 0.069 0.000 0.627 150 A CB -0.628 18.379 19.000 0.013 0.000 0.818 150 A HN 0.368 nan 8.150 nan 0.000 0.445 151 R N -0.771 119.765 120.500 0.060 0.000 2.096 151 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 151 R C 2.446 178.795 176.300 0.082 0.000 1.127 151 R CA 1.464 57.606 56.100 0.069 0.000 0.968 151 R CB -0.296 30.046 30.300 0.070 0.000 0.861 151 R HN 0.517 nan 8.270 nan 0.000 0.440 152 R N -0.657 119.891 120.500 0.080 0.000 2.075 152 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 152 R C 1.959 178.302 176.300 0.072 0.000 1.126 152 R CA 1.520 57.660 56.100 0.067 0.000 0.963 152 R CB -0.333 30.001 30.300 0.056 0.000 0.858 152 R HN 0.323 nan 8.270 nan 0.000 0.435 153 W N 1.248 122.525 121.300 -0.037 0.000 2.354 153 W HA -0.145 4.515 4.660 -0.000 0.000 0.315 153 W C 1.964 178.437 176.519 -0.076 0.000 1.206 153 W CA 0.969 58.287 57.345 -0.045 0.000 1.290 153 W CB -0.178 29.261 29.460 -0.035 0.000 1.152 153 W HN -0.067 nan 8.180 nan 0.000 0.489 154 I N 1.617 122.360 120.570 0.287 0.000 2.454 154 I HA -0.274 3.896 4.170 -0.000 0.000 0.254 154 I C 1.831 177.868 176.117 -0.133 0.000 1.156 154 I CA 1.897 63.238 61.300 0.067 0.000 1.433 154 I CB -1.320 36.739 38.000 0.098 0.000 1.082 154 I HN 0.182 nan 8.210 nan 0.000 0.432 155 N N 0.827 119.480 118.700 -0.079 0.000 2.106 155 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 155 N C 1.983 177.403 175.510 -0.150 0.000 1.029 155 N CA 1.854 54.853 53.050 -0.085 0.000 0.848 155 N CB -0.465 38.005 38.487 -0.028 0.000 1.007 155 N HN 0.307 nan 8.380 nan 0.000 0.423 156 G N 0.217 108.884 108.800 -0.223 0.000 2.402 156 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 156 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 156 G C 1.489 176.193 174.900 -0.327 0.000 1.162 156 G CA 1.067 46.009 45.100 -0.263 0.000 0.777 156 G HN 0.355 nan 8.290 nan 0.000 0.539 157 M N 0.525 119.817 119.600 -0.513 0.000 2.082 157 M HA 0.027 4.507 4.480 -0.000 0.000 0.258 157 M C 2.304 178.435 176.300 -0.282 0.000 1.069 157 M CA 1.404 56.404 55.300 -0.501 0.000 1.102 157 M CB -0.542 31.617 32.600 -0.735 0.000 1.336 157 M HN 0.156 nan 8.290 nan 0.000 0.404 158 L N -0.949 120.129 121.223 -0.241 0.000 2.275 158 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 158 L C 2.264 179.074 176.870 -0.100 0.000 1.119 158 L CA 0.819 55.574 54.840 -0.141 0.000 0.790 158 L CB -0.556 41.434 42.059 -0.114 0.000 0.919 158 L HN 0.389 nan 8.230 nan 0.000 0.443 159 I N -0.734 119.772 120.570 -0.107 0.000 2.406 159 I HA -0.207 3.963 4.170 -0.000 0.000 0.249 159 I C 2.603 178.690 176.117 -0.051 0.000 1.122 159 I CA 1.140 62.402 61.300 -0.063 0.000 1.431 159 I CB -0.082 37.889 38.000 -0.049 0.000 1.087 159 I HN 0.274 nan 8.210 nan 0.000 0.424 160 S N 0.976 116.629 115.700 -0.079 0.000 2.500 160 S HA -0.063 4.407 4.470 -0.000 0.000 0.239 160 S C 1.773 176.354 174.600 -0.033 0.000 0.989 160 S CA 0.750 58.918 58.200 -0.053 0.000 0.951 160 S CB -0.607 62.543 63.200 -0.084 0.000 0.759 160 S HN 0.436 nan 8.310 nan 0.000 0.523 161 L N 0.325 121.521 121.223 -0.044 0.000 2.418 161 L HA 0.294 4.634 4.340 -0.000 0.000 0.218 161 L C 0.750 177.588 176.870 -0.054 0.000 1.125 161 L CA -0.013 54.808 54.840 -0.031 0.000 0.835 161 L CB -0.419 41.627 42.059 -0.021 0.000 0.953 161 L HN 0.277 nan 8.230 nan 0.000 0.454 162 L N 1.149 122.324 121.223 -0.080 0.000 2.514 162 L HA -0.060 4.280 4.340 -0.000 0.000 0.280 162 L C 0.177 176.943 176.870 -0.173 0.000 1.223 162 L CA 0.291 55.026 54.840 -0.176 0.000 0.864 162 L CB 0.038 41.957 42.059 -0.232 0.000 1.118 162 L HN 0.148 nan 8.230 nan 0.000 0.494 163 N N 2.089 120.637 118.700 -0.252 0.000 2.491 163 N HA 0.281 5.021 4.740 -0.000 0.000 0.274 163 N C -1.562 173.828 175.510 -0.198 0.000 1.023 163 N CA -0.450 52.517 53.050 -0.137 0.000 0.902 163 N CB 0.739 39.183 38.487 -0.071 0.000 1.267 163 N HN 0.228 nan 8.380 nan 0.000 0.503 164 Y N 1.399 121.700 120.300 0.001 0.000 2.353 164 Y HA 0.275 4.825 4.550 0.000 0.000 0.340 164 Y C 0.250 176.152 175.900 0.003 0.000 0.972 164 Y CA -0.681 57.421 58.100 0.002 0.000 1.157 164 Y CB 1.192 39.654 38.460 0.002 0.000 1.157 164 Y HN 0.325 nan 8.280 nan 0.000 0.495 165 E N 4.736 125.015 120.200 0.132 0.000 1.802 165 E HA 0.022 4.372 4.350 -0.000 0.000 0.265 165 E C -0.698 175.951 176.600 0.082 0.000 1.168 165 E CA 0.100 56.549 56.400 0.080 0.000 1.033 165 E CB -0.239 29.488 29.700 0.046 0.000 1.095 165 E HN 0.675 nan 8.360 nan 0.000 0.436 166 D N 2.225 122.671 120.400 0.078 0.000 3.187 166 D HA -0.188 4.452 4.640 -0.000 0.000 0.244 166 D C 1.054 177.386 176.300 0.053 0.000 1.114 166 D CA 1.093 55.123 54.000 0.050 0.000 0.920 166 D CB -0.996 39.824 40.800 0.034 0.000 0.970 166 D HN 0.795 nan 8.370 nan 0.000 0.418 167 G N -0.982 107.848 108.800 0.049 0.000 2.451 167 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.253 167 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.253 167 G C 0.560 175.529 174.900 0.115 0.000 1.033 167 G CA 0.515 45.623 45.100 0.014 0.000 0.633 167 G HN 0.739 nan 8.290 nan 0.000 0.537 168 V N 2.523 122.524 119.914 0.144 0.000 2.389 168 V HA 0.531 4.651 4.120 -0.000 0.000 0.264 168 V C 0.735 176.951 176.094 0.204 0.000 1.049 168 V CA -0.476 61.917 62.300 0.155 0.000 0.932 168 V CB 1.267 33.140 31.823 0.082 0.000 1.011 168 V HN 0.527 nan 8.190 nan 0.000 0.475 169 L N 5.016 126.388 121.223 0.248 0.000 2.513 169 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 169 L C 0.277 177.097 176.870 -0.082 0.000 1.187 169 L CA 0.361 55.177 54.840 -0.041 0.000 0.895 169 L CB 0.425 42.402 42.059 -0.137 0.000 1.147 169 L HN 0.748 nan 8.230 nan 0.000 0.483 170 D N 7.605 127.923 120.400 -0.138 0.000 2.339 170 D HA 0.180 4.820 4.640 -0.000 0.000 0.256 170 D C -1.667 174.573 176.300 -0.100 0.000 1.214 170 D CA -1.964 51.986 54.000 -0.084 0.000 0.877 170 D CB 1.255 42.013 40.800 -0.071 0.000 1.111 170 D HN 0.429 nan 8.370 nan 0.000 0.478 171 P HA -0.195 nan 4.420 nan 0.000 0.215 171 P C 1.008 178.280 177.300 -0.046 0.000 1.153 171 P CA 1.073 64.143 63.100 -0.049 0.000 0.853 171 P CB -0.076 31.610 31.700 -0.024 0.000 0.788 172 S N -0.296 115.381 115.700 -0.037 0.000 2.595 172 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 172 S C 1.754 176.336 174.600 -0.031 0.000 0.974 172 S CA 0.916 59.100 58.200 -0.026 0.000 0.942 172 S CB -1.330 61.860 63.200 -0.017 0.000 0.766 172 S HN 0.340 nan 8.310 nan 0.000 0.536 173 S N 0.320 115.985 115.700 -0.058 0.000 2.540 173 S HA 0.381 4.851 4.470 -0.000 0.000 0.218 173 S C 0.305 174.864 174.600 -0.069 0.000 0.977 173 S CA -0.730 57.430 58.200 -0.067 0.000 0.918 173 S CB -0.524 62.614 63.200 -0.103 0.000 0.806 173 S HN 0.532 nan 8.310 nan 0.000 0.496 174 I N 2.403 122.936 120.570 -0.062 0.000 2.371 174 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 174 I C -0.768 175.337 176.117 -0.021 0.000 1.028 174 I CA -0.742 60.527 61.300 -0.053 0.000 1.345 174 I CB 1.584 39.553 38.000 -0.052 0.000 1.407 174 I HN -0.024 nan 8.210 nan 0.000 0.501 175 V N 8.682 128.585 119.914 -0.017 0.000 2.313 175 V HA 0.258 4.378 4.120 -0.000 0.000 0.278 175 V C -2.146 173.946 176.094 -0.004 0.000 1.017 175 V CA -1.844 60.460 62.300 0.007 0.000 0.823 175 V CB 1.132 32.966 31.823 0.018 0.000 1.010 175 V HN 0.589 nan 8.190 nan 0.000 0.443 176 P HA 0.059 nan 4.420 nan 0.000 0.264 176 P C -0.777 176.511 177.300 -0.020 0.000 1.183 176 P CA 0.001 63.094 63.100 -0.012 0.000 0.763 176 P CB 0.433 32.128 31.700 -0.009 0.000 0.807 177 L N 5.347 126.551 121.223 -0.031 0.000 2.377 177 L HA 0.482 4.822 4.340 -0.000 0.000 0.270 177 L C -1.282 175.559 176.870 -0.048 0.000 0.991 177 L CA -0.456 54.359 54.840 -0.040 0.000 0.851 177 L CB 0.714 42.749 42.059 -0.040 0.000 1.218 177 L HN 0.103 nan 8.230 nan 0.000 0.420 178 I N 4.272 124.808 120.570 -0.058 0.000 2.336 178 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 178 I C -0.283 175.791 176.117 -0.072 0.000 0.991 178 I CA -0.021 61.235 61.300 -0.072 0.000 1.227 178 I CB 1.473 39.426 38.000 -0.079 0.000 1.366 178 I HN 0.625 nan 8.210 nan 0.000 0.466 179 D N 4.254 124.605 120.400 -0.081 0.000 2.362 179 D HA 0.733 5.373 4.640 -0.000 0.000 0.247 179 D C -0.328 175.914 176.300 -0.096 0.000 1.050 179 D CA -0.449 53.511 54.000 -0.067 0.000 0.839 179 D CB 1.506 42.285 40.800 -0.034 0.000 1.283 179 D HN 0.653 nan 8.370 nan 0.000 0.477 180 G N 0.973 109.732 108.800 -0.068 0.000 2.481 180 G HA2 0.688 4.648 3.960 -0.000 0.000 0.315 180 G HA3 0.688 4.648 3.960 -0.000 0.000 0.315 180 G C -0.674 174.208 174.900 -0.030 0.000 1.231 180 G CA -0.807 44.246 45.100 -0.077 0.000 0.968 180 G HN 0.602 nan 8.290 nan 0.000 0.482 181 G N -0.969 107.817 108.800 -0.022 0.000 2.659 181 G HA2 0.640 4.600 3.960 -0.000 0.000 0.296 181 G HA3 0.640 4.600 3.960 -0.000 0.000 0.296 181 G C -1.294 173.625 174.900 0.032 0.000 1.369 181 G CA -0.351 44.769 45.100 0.034 0.000 0.937 181 G HN 0.682 nan 8.290 nan 0.000 0.485 182 T N -0.044 114.536 114.554 0.042 0.000 2.900 182 T HA 0.683 5.033 4.350 -0.000 0.000 0.303 182 T C -1.396 173.327 174.700 0.038 0.000 1.142 182 T CA -0.417 61.705 62.100 0.037 0.000 1.007 182 T CB 2.105 70.976 68.868 0.004 0.000 1.156 182 T HN 0.520 nan 8.240 nan 0.000 0.490 183 E N 1.241 121.461 120.200 0.034 0.000 2.558 183 E HA 0.440 4.790 4.350 -0.000 0.000 0.345 183 E C 0.316 176.903 176.600 -0.021 0.000 0.928 183 E CA 0.191 56.599 56.400 0.013 0.000 0.774 183 E CB 0.721 30.452 29.700 0.052 0.000 1.462 183 E HN 1.020 nan 8.360 nan 0.000 0.387 184 G N 2.559 111.287 108.800 -0.120 0.000 2.591 184 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.298 184 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.298 184 G C 0.288 174.975 174.900 -0.356 0.000 1.195 184 G CA 0.641 45.560 45.100 -0.301 0.000 0.989 184 G HN 0.497 nan 8.290 nan 0.000 0.551 185 F N 2.476 122.479 119.950 0.089 0.000 2.660 185 F HA 0.404 4.931 4.527 -0.000 0.000 0.302 185 F C 1.384 177.281 175.800 0.162 0.000 1.103 185 F CA 0.425 58.499 58.000 0.123 0.000 1.340 185 F CB 0.394 39.436 39.000 0.070 0.000 1.048 185 F HN 0.043 nan 8.300 nan 0.000 0.551 186 K N 0.044 120.595 120.400 0.252 0.000 2.208 186 K HA 0.787 5.107 4.320 -0.000 0.000 0.247 186 K C 0.006 176.752 176.600 0.243 0.000 0.953 186 K CA -0.739 55.698 56.287 0.251 0.000 0.837 186 K CB 2.043 34.650 32.500 0.179 0.000 1.131 186 K HN 0.116 nan 8.250 nan 0.000 0.431 187 G N 0.928 109.891 108.800 0.271 0.000 2.601 187 G HA2 0.323 4.283 3.960 -0.000 0.000 0.291 187 G HA3 0.323 4.283 3.960 -0.000 0.000 0.291 187 G C -1.971 173.010 174.900 0.134 0.000 1.456 187 G CA -0.725 44.476 45.100 0.168 0.000 0.804 187 G HN 0.689 nan 8.290 nan 0.000 0.499 188 N N -0.996 117.716 118.700 0.020 0.000 2.610 188 N HA 0.798 5.538 4.740 -0.000 0.000 0.264 188 N C -1.049 174.331 175.510 -0.217 0.000 1.348 188 N CA -0.341 52.648 53.050 -0.102 0.000 0.819 188 N CB 2.124 40.525 38.487 -0.143 0.000 1.521 188 N HN 1.465 nan 8.380 nan 0.000 0.497 189 A N 0.358 122.958 122.820 -0.367 0.000 2.520 189 A HA 0.797 5.117 4.320 -0.000 0.000 0.298 189 A C -0.970 176.326 177.584 -0.479 0.000 1.051 189 A CA -0.817 51.024 52.037 -0.326 0.000 0.690 189 A CB 1.801 20.667 19.000 -0.224 0.000 1.281 189 A HN 0.933 nan 8.150 nan 0.000 0.402 190 R N 0.358 120.642 120.500 -0.360 0.000 2.739 190 R HA 0.765 5.105 4.340 -0.000 0.000 0.271 190 R C -2.107 174.089 176.300 -0.173 0.000 1.010 190 R CA -0.712 55.193 56.100 -0.325 0.000 0.897 190 R CB 1.442 31.534 30.300 -0.347 0.000 1.236 190 R HN 0.453 nan 8.270 nan 0.000 0.466 191 V N 3.027 122.865 119.914 -0.126 0.000 2.407 191 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 191 V C -0.045 176.017 176.094 -0.053 0.000 1.018 191 V CA -0.654 61.598 62.300 -0.081 0.000 0.842 191 V CB 1.415 33.197 31.823 -0.070 0.000 0.996 191 V HN 0.585 nan 8.190 nan 0.000 0.426 192 I N 5.698 126.243 120.570 -0.041 0.000 2.412 192 I HA 0.461 4.631 4.170 -0.000 0.000 0.296 192 I C -0.481 175.623 176.117 -0.022 0.000 0.987 192 I CA -0.524 60.761 61.300 -0.024 0.000 1.180 192 I CB 1.857 39.846 38.000 -0.018 0.000 1.340 192 I HN 0.377 nan 8.210 nan 0.000 0.455 193 L N 8.122 129.337 121.223 -0.013 0.000 2.445 193 L HA 0.347 4.687 4.340 -0.000 0.000 0.252 193 L C -2.240 174.623 176.870 -0.011 0.000 1.105 193 L CA -1.810 53.021 54.840 -0.014 0.000 0.943 193 L CB 0.816 42.869 42.059 -0.009 0.000 1.277 193 L HN 0.302 nan 8.230 nan 0.000 0.465 194 P HA -0.104 nan 4.420 nan 0.000 0.257 194 P C 0.936 178.229 177.300 -0.013 0.000 1.153 194 P CA 1.322 64.413 63.100 -0.016 0.000 0.762 194 P CB 0.732 32.411 31.700 -0.034 0.000 0.743 195 G N 2.669 111.483 108.800 0.024 0.000 2.175 195 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 195 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 195 G C 0.388 175.323 174.900 0.059 0.000 0.982 195 G CA 0.468 45.603 45.100 0.059 0.000 0.641 195 G HN 0.504 nan 8.290 nan 0.000 0.527 196 M N -1.591 118.031 119.600 0.037 0.000 1.808 196 M HA 0.167 4.647 4.480 -0.000 0.000 0.178 196 M C 0.875 177.194 176.300 0.032 0.000 1.561 196 M CA 0.662 55.984 55.300 0.036 0.000 0.862 196 M CB 0.439 33.053 32.600 0.023 0.000 1.567 196 M HN 0.053 nan 8.290 nan 0.000 0.599 197 T N 1.711 116.278 114.554 0.021 0.000 2.849 197 T HA 0.540 4.890 4.350 -0.000 0.000 0.284 197 T C -0.127 174.587 174.700 0.023 0.000 1.004 197 T CA -0.344 61.767 62.100 0.018 0.000 1.021 197 T CB 1.229 70.100 68.868 0.005 0.000 1.013 197 T HN 0.334 nan 8.240 nan 0.000 0.527 198 A N 1.169 124.005 122.820 0.026 0.000 2.546 198 A HA 0.323 4.643 4.320 -0.000 0.000 0.243 198 A C 1.092 178.695 177.584 0.033 0.000 1.063 198 A CA -0.619 51.439 52.037 0.035 0.000 0.757 198 A CB -0.891 18.134 19.000 0.043 0.000 0.991 198 A HN 1.087 nan 8.150 nan 0.000 0.503 199 C N 2.463 121.783 119.300 0.034 0.000 2.411 199 C HA 0.545 5.005 4.460 -0.000 0.000 0.358 199 C C 1.825 176.843 174.990 0.047 0.000 1.349 199 C CA -0.752 58.283 59.018 0.029 0.000 2.326 199 C CB -0.211 27.541 27.740 0.020 0.000 2.166 199 C HN 0.749 nan 8.230 nan 0.000 0.609 200 I N 0.709 121.308 120.570 0.049 0.000 2.286 200 I HA -0.102 4.068 4.170 -0.000 0.000 0.248 200 I C 2.555 178.729 176.117 0.096 0.000 1.115 200 I CA 1.771 63.122 61.300 0.085 0.000 1.392 200 I CB -1.379 36.672 38.000 0.085 0.000 1.065 200 I HN 0.827 nan 8.210 nan 0.000 0.418 201 E N 0.426 120.663 120.200 0.062 0.000 2.047 201 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 201 E C 2.423 179.054 176.600 0.051 0.000 0.987 201 E CA 1.205 57.637 56.400 0.053 0.000 0.799 201 E CB -0.303 29.413 29.700 0.026 0.000 0.752 201 E HN 0.409 nan 8.360 nan 0.000 0.449 202 C N 0.098 119.425 119.300 0.045 0.000 2.391 202 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 202 C C 2.328 177.344 174.990 0.044 0.000 1.217 202 C CA 1.861 60.905 59.018 0.042 0.000 1.766 202 C CB -1.420 26.346 27.740 0.043 0.000 2.046 202 C HN 0.607 nan 8.230 nan 0.000 0.475 203 T N -1.787 112.799 114.554 0.054 0.000 3.176 203 T HA 0.199 4.549 4.350 -0.000 0.000 0.263 203 T C 1.133 175.853 174.700 0.033 0.000 1.021 203 T CA -0.097 62.025 62.100 0.037 0.000 0.905 203 T CB -0.251 68.645 68.868 0.047 0.000 1.057 203 T HN 0.265 nan 8.240 nan 0.000 0.558 204 L N 1.989 123.259 121.223 0.080 0.000 2.197 204 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 204 L C 1.966 178.924 176.870 0.145 0.000 1.095 204 L CA 1.806 56.737 54.840 0.152 0.000 0.764 204 L CB -0.514 41.617 42.059 0.120 0.000 0.897 204 L HN 0.352 nan 8.230 nan 0.000 0.436 205 E N -0.956 119.281 120.200 0.062 0.000 2.502 205 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 205 E C 1.941 178.550 176.600 0.015 0.000 1.062 205 E CA 0.087 56.516 56.400 0.049 0.000 0.867 205 E CB -0.075 29.639 29.700 0.022 0.000 0.888 205 E HN 0.552 nan 8.360 nan 0.000 0.510 206 L N 0.173 121.363 121.223 -0.055 0.000 2.478 206 L HA -0.012 4.328 4.340 -0.000 0.000 0.223 206 L C 0.395 177.191 176.870 -0.123 0.000 1.140 206 L CA 0.277 55.049 54.840 -0.113 0.000 0.842 206 L CB -0.110 41.845 42.059 -0.173 0.000 0.953 206 L HN 0.147 nan 8.230 nan 0.000 0.452 207 Y N 0.915 121.254 120.300 0.064 0.000 2.402 207 Y HA 0.153 4.703 4.550 -0.000 0.000 0.333 207 Y C -1.545 174.376 175.900 0.035 0.000 1.076 207 Y CA -2.327 55.806 58.100 0.055 0.000 1.299 207 Y CB 0.018 38.504 38.460 0.044 0.000 1.197 207 Y HN -0.037 nan 8.280 nan 0.000 0.517 208 P HA 0.072 nan 4.420 nan 0.000 0.271 208 P C -2.465 174.887 177.300 0.087 0.000 1.233 208 P CA -0.890 62.273 63.100 0.106 0.000 0.789 208 P CB 0.004 31.759 31.700 0.091 0.000 0.951 209 P HA 0.180 nan 4.420 nan 0.000 0.277 209 P C -1.001 176.299 177.300 0.000 0.000 1.240 209 P CA -0.465 62.648 63.100 0.022 0.000 0.798 209 P CB 0.355 32.062 31.700 0.011 0.000 0.979 210 Q N 0.438 120.224 119.800 -0.023 0.000 2.274 210 Q HA 0.347 4.687 4.340 -0.000 0.000 0.256 210 Q C -0.780 175.163 176.000 -0.095 0.000 0.927 210 Q CA -0.919 54.850 55.803 -0.056 0.000 0.939 210 Q CB 0.580 29.279 28.738 -0.066 0.000 1.201 210 Q HN 0.082 nan 8.270 nan 0.000 0.426 211 V N 4.111 123.949 119.914 -0.127 0.000 2.416 211 V HA -0.063 4.057 4.120 -0.000 0.000 0.267 211 V C 0.026 175.893 176.094 -0.378 0.000 1.007 211 V CA 0.469 62.649 62.300 -0.200 0.000 1.102 211 V CB -1.068 30.639 31.823 -0.193 0.000 1.035 211 V HN 0.814 nan 8.190 nan 0.000 0.473 212 N N 4.079 122.608 118.700 -0.285 0.000 2.400 212 N HA 0.509 5.249 4.740 -0.000 0.000 0.288 212 N C -0.851 174.534 175.510 -0.209 0.000 1.024 212 N CA -0.687 52.184 53.050 -0.297 0.000 0.894 212 N CB 1.194 39.607 38.487 -0.123 0.000 1.173 212 N HN 0.492 nan 8.380 nan 0.000 0.487 213 F N 2.760 122.728 119.950 0.030 0.000 2.424 213 F HA 0.327 4.854 4.527 -0.000 0.000 0.356 213 F C -1.701 174.086 175.800 -0.022 0.000 1.110 213 F CA -2.004 56.002 58.000 0.010 0.000 1.161 213 F CB 0.862 39.875 39.000 0.023 0.000 1.115 213 F HN 0.252 nan 8.300 nan 0.000 0.507 214 P HA 0.064 nan 4.420 nan 0.000 0.271 214 P C 0.682 178.007 177.300 0.041 0.000 1.233 214 P CA -0.162 62.978 63.100 0.067 0.000 0.764 214 P CB 0.835 32.557 31.700 0.038 0.000 0.825 215 M N 3.595 123.224 119.600 0.048 0.000 2.337 215 M HA -0.240 4.240 4.480 -0.000 0.000 0.261 215 M C 1.667 177.968 176.300 0.001 0.000 1.067 215 M CA 1.913 57.236 55.300 0.038 0.000 1.074 215 M CB -0.276 32.358 32.600 0.056 0.000 1.395 215 M HN 0.449 nan 8.290 nan 0.000 0.431 216 A N -0.026 122.791 122.820 -0.005 0.000 1.903 216 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 216 A C 2.182 179.730 177.584 -0.061 0.000 1.191 216 A CA 2.634 54.660 52.037 -0.018 0.000 0.638 216 A CB -1.490 17.505 19.000 -0.010 0.000 0.823 216 A HN 0.705 nan 8.150 nan 0.000 0.451 217 T N -2.644 111.843 114.554 -0.112 0.000 3.043 217 T HA 0.133 4.483 4.350 -0.000 0.000 0.263 217 T C 1.765 176.276 174.700 -0.314 0.000 1.094 217 T CA 0.999 62.970 62.100 -0.215 0.000 1.127 217 T CB -0.430 68.266 68.868 -0.287 0.000 0.905 217 T HN 0.354 nan 8.240 nan 0.000 0.490 218 I N 1.400 121.825 120.570 -0.241 0.000 2.353 218 I HA 0.047 4.217 4.170 -0.000 0.000 0.248 218 I C 3.025 179.071 176.117 -0.118 0.000 1.119 218 I CA 1.265 62.450 61.300 -0.192 0.000 1.417 218 I CB -0.336 37.648 38.000 -0.026 0.000 1.078 218 I HN 0.387 nan 8.210 nan 0.000 0.421 219 A N -0.793 121.997 122.820 -0.050 0.000 2.044 219 A HA 0.041 4.361 4.320 -0.000 0.000 0.213 219 A C 2.298 179.829 177.584 -0.089 0.000 1.169 219 A CA 0.941 52.970 52.037 -0.013 0.000 0.724 219 A CB -0.062 18.994 19.000 0.093 0.000 0.840 219 A HN 0.304 nan 8.150 nan 0.000 0.463 220 S N -0.289 115.357 115.700 -0.090 0.000 2.655 220 S HA 0.206 4.676 4.470 -0.000 0.000 0.231 220 S C 0.879 175.438 174.600 -0.069 0.000 1.044 220 S CA 0.715 58.888 58.200 -0.045 0.000 0.910 220 S CB -0.077 63.114 63.200 -0.014 0.000 0.833 220 S HN 0.625 nan 8.310 nan 0.000 0.581 221 M N 1.639 121.163 119.600 -0.127 0.000 2.325 221 M HA 0.514 4.994 4.480 -0.000 0.000 0.305 221 M C -3.347 172.819 176.300 -0.224 0.000 1.047 221 M CA -1.918 53.309 55.300 -0.122 0.000 0.981 221 M CB 0.839 33.412 32.600 -0.046 0.000 1.307 221 M HN -0.203 nan 8.290 nan 0.000 0.418 222 P HA 0.363 nan 4.420 nan 0.000 0.275 222 P C -0.261 176.994 177.300 -0.075 0.000 1.227 222 P CA -0.244 62.673 63.100 -0.304 0.000 0.781 222 P CB 1.011 32.338 31.700 -0.622 0.000 0.906 223 R N 1.614 122.218 120.500 0.174 0.000 2.561 223 R HA 0.301 4.641 4.340 -0.000 0.000 0.213 223 R C 0.212 176.472 176.300 -0.067 0.000 0.885 223 R CA -0.026 56.108 56.100 0.058 0.000 1.002 223 R CB 0.105 30.463 30.300 0.096 0.000 1.432 223 R HN 0.316 nan 8.270 nan 0.000 0.651 224 L N 1.371 122.426 121.223 -0.281 0.000 2.330 224 L HA 0.438 4.778 4.340 -0.000 0.000 0.271 224 L C -1.965 174.719 176.870 -0.310 0.000 1.013 224 L CA -2.448 52.162 54.840 -0.385 0.000 0.816 224 L CB 1.425 43.109 42.059 -0.626 0.000 1.287 224 L HN -0.308 nan 8.230 nan 0.000 0.435 225 P HA -0.154 nan 4.420 nan 0.000 0.218 225 P C 0.848 178.081 177.300 -0.111 0.000 1.148 225 P CA 1.103 64.148 63.100 -0.093 0.000 0.822 225 P CB 0.315 31.995 31.700 -0.034 0.000 0.784 226 E N -1.706 118.382 120.200 -0.187 0.000 2.153 226 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 226 E C 1.835 178.299 176.600 -0.226 0.000 0.988 226 E CA 1.160 57.473 56.400 -0.146 0.000 0.811 226 E CB -0.839 28.812 29.700 -0.081 0.000 0.746 226 E HN 0.545 nan 8.360 nan 0.000 0.466 227 H N -1.360 117.469 119.070 -0.402 0.000 2.389 227 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 227 H C 1.882 177.078 175.328 -0.219 0.000 1.081 227 H CA 0.859 56.633 56.048 -0.455 0.000 1.345 227 H CB 0.007 29.507 29.762 -0.437 0.000 1.393 227 H HN 0.219 nan 8.280 nan 0.000 0.520 228 C N 0.538 119.814 119.300 -0.040 0.000 2.446 228 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 228 C C 2.721 177.761 174.990 0.084 0.000 1.275 228 C CA 0.596 59.606 59.018 -0.012 0.000 1.727 228 C CB -0.725 26.999 27.740 -0.026 0.000 2.010 228 C HN 0.493 nan 8.230 nan 0.000 0.486 229 I N 0.823 121.430 120.570 0.062 0.000 2.252 229 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 229 I C 2.624 178.811 176.117 0.118 0.000 1.102 229 I CA 1.496 62.851 61.300 0.092 0.000 1.385 229 I CB -0.633 37.413 38.000 0.078 0.000 1.064 229 I HN 0.241 nan 8.210 nan 0.000 0.414 230 E N 0.786 121.057 120.200 0.118 0.000 2.209 230 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 230 E C 1.948 178.643 176.600 0.159 0.000 0.993 230 E CA 1.476 57.971 56.400 0.158 0.000 0.819 230 E CB -0.365 29.462 29.700 0.212 0.000 0.745 230 E HN 0.542 nan 8.360 nan 0.000 0.477 231 Y N -0.198 120.120 120.300 0.031 0.000 2.114 231 Y HA -0.126 4.424 4.550 0.000 0.000 0.284 231 Y C 2.023 177.976 175.900 0.088 0.000 1.119 231 Y CA 1.741 59.864 58.100 0.037 0.000 1.108 231 Y CB -0.513 37.941 38.460 -0.009 0.000 0.995 231 Y HN -0.081 nan 8.280 nan 0.000 0.491 232 V N 2.058 122.038 119.914 0.109 0.000 2.794 232 V HA -0.279 3.841 4.120 -0.000 0.000 0.260 232 V C 2.396 178.591 176.094 0.169 0.000 1.103 232 V CA 2.278 64.612 62.300 0.058 0.000 1.125 232 V CB -0.904 30.956 31.823 0.061 0.000 0.702 232 V HN 0.466 nan 8.190 nan 0.000 0.494 233 R N -0.430 120.137 120.500 0.111 0.000 2.142 233 R HA 0.129 4.469 4.340 -0.000 0.000 0.204 233 R C 2.182 178.511 176.300 0.048 0.000 1.059 233 R CA 0.816 56.971 56.100 0.091 0.000 1.055 233 R CB -0.056 30.267 30.300 0.039 0.000 0.976 233 R HN 0.466 nan 8.270 nan 0.000 0.483 234 M N 0.252 119.871 119.600 0.031 0.000 2.394 234 M HA 0.086 4.566 4.480 -0.000 0.000 0.266 234 M C 1.012 177.312 176.300 0.001 0.000 1.098 234 M CA 1.257 56.571 55.300 0.023 0.000 1.149 234 M CB 0.436 33.065 32.600 0.050 0.000 1.369 234 M HN 0.213 nan 8.290 nan 0.000 0.450 235 L N -1.622 119.537 121.223 -0.108 0.000 2.614 235 L HA 0.096 4.436 4.340 -0.000 0.000 0.185 235 L C 2.299 179.063 176.870 -0.176 0.000 1.098 235 L CA 0.216 54.952 54.840 -0.173 0.000 0.852 235 L CB -0.904 40.980 42.059 -0.291 0.000 1.213 235 L HN 0.186 nan 8.230 nan 0.000 0.491 236 Q N 0.209 119.772 119.800 -0.395 0.000 2.135 236 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 236 Q C 2.094 178.240 176.000 0.243 0.000 0.981 236 Q CA 2.093 57.834 55.803 -0.103 0.000 0.856 236 Q CB -0.122 28.546 28.738 -0.117 0.000 0.902 236 Q HN 0.569 nan 8.270 nan 0.000 0.425 237 W N 1.079 122.465 121.300 0.143 0.000 2.380 237 W HA -0.076 4.584 4.660 -0.000 0.000 0.317 237 W C -1.237 175.281 176.519 -0.002 0.000 1.196 237 W CA 1.416 58.846 57.345 0.142 0.000 1.307 237 W CB -1.467 28.065 29.460 0.121 0.000 1.157 237 W HN 0.151 nan 8.180 nan 0.000 0.483 238 P HA -0.219 nan 4.420 nan 0.000 0.213 238 P C 1.465 178.783 177.300 0.031 0.000 1.170 238 P CA 2.683 65.890 63.100 0.179 0.000 0.898 238 P CB -0.373 31.419 31.700 0.153 0.000 0.787 239 K N 0.459 120.881 120.400 0.036 0.000 2.304 239 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 239 K C 0.747 177.338 176.600 -0.016 0.000 1.044 239 K CA 1.556 57.851 56.287 0.014 0.000 0.932 239 K CB -0.631 31.884 32.500 0.025 0.000 0.735 239 K HN 0.387 nan 8.250 nan 0.000 0.468 240 E N -0.616 119.545 120.200 -0.065 0.000 4.170 240 E HA 0.076 4.426 4.350 -0.000 0.000 0.199 240 E C -0.957 175.462 176.600 -0.302 0.000 1.080 240 E CA -0.441 55.888 56.400 -0.118 0.000 1.446 240 E CB 0.024 29.707 29.700 -0.028 0.000 1.170 240 E HN -0.061 nan 8.360 nan 0.000 0.429 241 Q N 0.614 120.205 119.800 -0.347 0.000 2.290 241 Q HA -0.176 4.164 4.340 -0.000 0.000 0.356 241 Q C -1.569 174.020 176.000 -0.684 0.000 1.183 241 Q CA 0.511 56.016 55.803 -0.496 0.000 1.184 241 Q CB -0.781 27.800 28.738 -0.263 0.000 1.368 241 Q HN 0.465 nan 8.270 nan 0.000 0.295 242 P HA -0.197 nan 4.420 nan 0.000 0.216 242 P C 0.378 177.122 177.300 -0.926 0.000 1.167 242 P CA 1.454 63.745 63.100 -1.348 0.000 0.914 242 P CB 0.043 30.261 31.700 -2.471 0.000 0.793 243 F N -0.823 118.560 119.950 -0.944 0.000 2.975 243 F HA 0.534 5.061 4.527 -0.000 0.000 0.311 243 F C 1.156 176.797 175.800 -0.265 0.000 1.239 243 F CA -0.110 57.621 58.000 -0.448 0.000 1.282 243 F CB -0.213 38.640 39.000 -0.244 0.000 1.071 243 F HN -0.048 nan 8.300 nan 0.000 0.516 244 G N 0.444 109.133 108.800 -0.186 0.000 2.712 244 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 244 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 244 G C -0.529 174.304 174.900 -0.110 0.000 1.181 244 G CA -1.222 43.811 45.100 -0.112 0.000 0.762 244 G HN 0.241 nan 8.290 nan 0.000 0.641 245 E N 0.201 120.348 120.200 -0.087 0.000 2.415 245 E HA 0.379 4.729 4.350 -0.000 0.000 0.262 245 E C 1.547 178.133 176.600 -0.023 0.000 1.038 245 E CA 1.182 57.542 56.400 -0.067 0.000 0.921 245 E CB 0.691 30.361 29.700 -0.051 0.000 0.950 245 E HN 2.115 nan 8.360 nan 0.000 0.438 246 G N 1.756 110.553 108.800 -0.005 0.000 2.377 246 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.250 246 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.250 246 G C 0.465 175.406 174.900 0.068 0.000 1.039 246 G CA 0.292 45.409 45.100 0.029 0.000 0.625 246 G HN 0.459 nan 8.290 nan 0.000 0.526 247 V N 3.440 123.398 119.914 0.073 0.000 2.493 247 V HA 0.329 4.449 4.120 -0.000 0.000 0.292 247 V C -1.088 175.175 176.094 0.281 0.000 1.016 247 V CA -0.315 62.073 62.300 0.147 0.000 1.097 247 V CB 0.768 32.680 31.823 0.148 0.000 0.947 247 V HN 0.272 nan 8.190 nan 0.000 0.479 248 P HA 0.276 nan 4.420 nan 0.000 0.276 248 P C -0.636 176.764 177.300 0.167 0.000 1.244 248 P CA -0.756 62.472 63.100 0.212 0.000 0.801 248 P CB 0.608 32.352 31.700 0.073 0.000 1.006 249 L N 2.007 123.024 121.223 -0.345 0.000 2.369 249 L HA 0.266 4.606 4.340 -0.000 0.000 0.279 249 L C -0.393 176.303 176.870 -0.291 0.000 1.108 249 L CA 0.039 54.314 54.840 -0.941 0.000 0.852 249 L CB -0.744 40.358 42.059 -1.596 0.000 1.169 249 L HN 0.212 nan 8.230 nan 0.000 0.452 250 D N 3.196 123.635 120.400 0.064 0.000 2.428 250 D HA 0.364 5.004 4.640 -0.000 0.000 0.221 250 D C 1.320 177.524 176.300 -0.161 0.000 1.123 250 D CA 0.247 54.169 54.000 -0.130 0.000 0.869 250 D CB 1.276 41.886 40.800 -0.316 0.000 1.032 250 D HN 0.735 nan 8.370 nan 0.000 0.506 251 G N 3.025 111.738 108.800 -0.145 0.000 2.527 251 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 251 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 251 G C 0.954 175.794 174.900 -0.100 0.000 1.117 251 G CA 0.379 45.407 45.100 -0.119 0.000 0.759 251 G HN 0.541 nan 8.290 nan 0.000 0.556 252 D N -0.244 120.087 120.400 -0.114 0.000 2.369 252 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 252 D C -0.065 176.171 176.300 -0.106 0.000 1.077 252 D CA -0.087 53.859 54.000 -0.091 0.000 0.842 252 D CB 0.429 41.180 40.800 -0.081 0.000 0.947 252 D HN 0.169 nan 8.370 nan 0.000 0.509 253 D N 1.530 121.815 120.400 -0.191 0.000 2.374 253 D HA 0.060 4.700 4.640 -0.000 0.000 0.240 253 D C -1.675 174.583 176.300 -0.070 0.000 1.229 253 D CA -1.954 51.890 54.000 -0.260 0.000 0.895 253 D CB 2.000 42.328 40.800 -0.786 0.000 1.046 253 D HN -0.109 nan 8.370 nan 0.000 0.498 254 P HA -0.157 nan 4.420 nan 0.000 0.217 254 P C 0.809 178.256 177.300 0.245 0.000 1.148 254 P CA 1.201 64.396 63.100 0.158 0.000 0.834 254 P CB 0.362 32.138 31.700 0.127 0.000 0.783 255 E N -2.021 118.312 120.200 0.222 0.000 2.152 255 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 255 E C 1.960 178.891 176.600 0.552 0.000 0.983 255 E CA 0.670 57.313 56.400 0.405 0.000 0.818 255 E CB -0.454 29.532 29.700 0.476 0.000 0.758 255 E HN 0.548 nan 8.360 nan 0.000 0.467 256 H N 0.350 119.460 119.070 0.067 0.000 2.357 256 H HA -0.030 4.526 4.556 0.000 0.000 0.301 256 H C 2.275 177.798 175.328 0.324 0.000 1.082 256 H CA 0.713 56.792 56.048 0.053 0.000 1.342 256 H CB 0.168 29.792 29.762 -0.231 0.000 1.389 256 H HN 0.101 nan 8.280 nan 0.000 0.511 257 I N 0.725 121.502 120.570 0.344 0.000 2.252 257 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 257 I C 2.671 179.050 176.117 0.437 0.000 1.102 257 I CA 0.986 62.441 61.300 0.259 0.000 1.385 257 I CB -0.117 37.925 38.000 0.071 0.000 1.064 257 I HN 0.203 nan 8.210 nan 0.000 0.414 258 Q N 0.432 120.566 119.800 0.557 0.000 2.135 258 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 258 Q C 1.887 178.214 176.000 0.545 0.000 0.981 258 Q CA 1.966 58.134 55.803 0.609 0.000 0.856 258 Q CB -0.529 28.496 28.738 0.479 0.000 0.902 258 Q HN 0.572 nan 8.270 nan 0.000 0.425 259 W N -0.009 121.547 121.300 0.425 0.000 2.381 259 W HA -0.048 4.612 4.660 -0.000 0.000 0.301 259 W C 1.556 178.266 176.519 0.319 0.000 1.205 259 W CA 1.533 59.104 57.345 0.376 0.000 1.285 259 W CB -0.173 29.608 29.460 0.536 0.000 1.133 259 W HN 0.170 nan 8.180 nan 0.000 0.521 260 I N -0.256 120.580 120.570 0.443 0.000 2.252 260 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 260 I C 2.382 178.568 176.117 0.115 0.000 1.102 260 I CA 1.189 62.607 61.300 0.197 0.000 1.385 260 I CB -0.957 37.227 38.000 0.308 0.000 1.064 260 I HN -0.031 nan 8.210 nan 0.000 0.414 261 F N 2.194 122.192 119.950 0.079 0.000 2.126 261 F HA -0.288 4.239 4.527 0.000 0.000 0.299 261 F C 2.528 178.342 175.800 0.024 0.000 1.096 261 F CA 1.984 60.029 58.000 0.076 0.000 1.255 261 F CB -0.645 38.485 39.000 0.217 0.000 0.997 261 F HN 0.010 nan 8.300 nan 0.000 0.479 262 Q N 1.067 120.748 119.800 -0.199 0.000 1.975 262 Q HA -0.182 4.159 4.340 -0.000 0.000 0.205 262 Q C 2.143 177.930 176.000 -0.355 0.000 0.990 262 Q CA 2.105 57.692 55.803 -0.360 0.000 0.845 262 Q CB -0.423 28.194 28.738 -0.201 0.000 0.913 262 Q HN 0.159 nan 8.270 nan 0.000 0.420 263 K N -0.068 120.069 120.400 -0.438 0.000 2.281 263 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 263 K C 2.160 178.641 176.600 -0.199 0.000 1.046 263 K CA 1.059 57.102 56.287 -0.407 0.000 0.938 263 K CB -0.283 31.768 32.500 -0.749 0.000 0.737 263 K HN 0.135 nan 8.250 nan 0.000 0.458 264 S N 1.054 116.661 115.700 -0.155 0.000 2.406 264 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 264 S C 1.989 176.541 174.600 -0.079 0.000 1.030 264 S CA 0.342 58.514 58.200 -0.048 0.000 0.958 264 S CB -0.022 63.199 63.200 0.035 0.000 0.811 264 S HN 0.176 nan 8.310 nan 0.000 0.489 265 L N 1.476 122.583 121.223 -0.193 0.000 2.042 265 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 265 L C 2.478 179.280 176.870 -0.113 0.000 1.076 265 L CA 1.349 56.075 54.840 -0.190 0.000 0.749 265 L CB -0.560 41.286 42.059 -0.355 0.000 0.893 265 L HN 0.373 nan 8.230 nan 0.000 0.432 266 E N -0.389 119.739 120.200 -0.121 0.000 2.047 266 E HA -0.260 4.090 4.350 -0.000 0.000 0.191 266 E C 2.239 178.827 176.600 -0.020 0.000 0.987 266 E CA 1.014 57.370 56.400 -0.073 0.000 0.799 266 E CB -0.090 29.559 29.700 -0.085 0.000 0.752 266 E HN 0.217 nan 8.360 nan 0.000 0.449 267 R N 1.093 121.592 120.500 -0.002 0.000 2.081 267 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 267 R C 2.047 178.402 176.300 0.092 0.000 1.131 267 R CA 1.573 57.702 56.100 0.048 0.000 0.960 267 R CB -0.508 29.806 30.300 0.024 0.000 0.856 267 R HN 0.175 nan 8.270 nan 0.000 0.436 268 A N -0.860 121.982 122.820 0.036 0.000 1.898 268 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 268 A C 2.267 179.888 177.584 0.062 0.000 1.181 268 A CA 1.841 53.904 52.037 0.044 0.000 0.620 268 A CB -1.054 17.953 19.000 0.012 0.000 0.819 268 A HN 0.439 nan 8.150 nan 0.000 0.442 269 S N -0.864 114.850 115.700 0.022 0.000 2.383 269 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 269 S C 2.158 176.760 174.600 0.003 0.000 1.030 269 S CA 1.745 59.947 58.200 0.004 0.000 1.002 269 S CB -0.384 62.803 63.200 -0.022 0.000 0.829 269 S HN 0.666 nan 8.310 nan 0.000 0.467 270 Q N -0.831 118.978 119.800 0.016 0.000 2.002 270 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 270 Q C 1.064 176.970 176.000 -0.157 0.000 0.988 270 Q CA 1.909 57.666 55.803 -0.077 0.000 0.843 270 Q CB -0.256 28.441 28.738 -0.069 0.000 0.908 270 Q HN 0.704 nan 8.270 nan 0.000 0.420 271 Y N 1.486 121.751 120.300 -0.058 0.000 2.470 271 Y HA 0.038 4.588 4.550 0.000 0.000 0.302 271 Y C 0.108 175.986 175.900 -0.037 0.000 1.194 271 Y CA -0.120 57.950 58.100 -0.049 0.000 1.271 271 Y CB -0.637 37.788 38.460 -0.058 0.000 1.092 271 Y HN 0.275 nan 8.280 nan 0.000 0.513 272 N N 0.673 119.417 118.700 0.073 0.000 2.691 272 N HA -0.279 4.461 4.740 -0.000 0.000 0.277 272 N C -0.855 174.684 175.510 0.048 0.000 1.029 272 N CA 0.721 53.795 53.050 0.039 0.000 0.798 272 N CB -1.570 36.923 38.487 0.011 0.000 0.922 272 N HN 0.495 nan 8.380 nan 0.000 0.562 273 I N 0.682 121.283 120.570 0.052 0.000 2.404 273 I HA 0.335 4.505 4.170 -0.000 0.000 0.293 273 I C 1.047 177.175 176.117 0.018 0.000 0.992 273 I CA -0.847 60.470 61.300 0.029 0.000 1.149 273 I CB 1.371 39.379 38.000 0.014 0.000 1.315 273 I HN 0.104 nan 8.210 nan 0.000 0.446 274 R N 3.269 123.777 120.500 0.014 0.000 2.607 274 R HA 0.637 4.977 4.340 -0.000 0.000 0.261 274 R C 0.737 177.048 176.300 0.019 0.000 1.051 274 R CA -0.247 55.865 56.100 0.019 0.000 1.110 274 R CB 0.883 31.194 30.300 0.019 0.000 1.158 274 R HN 0.936 nan 8.270 nan 0.000 0.543 275 G N -0.296 108.525 108.800 0.036 0.000 2.179 275 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 275 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 275 G C -0.198 174.741 174.900 0.064 0.000 0.990 275 G CA -0.369 44.754 45.100 0.039 0.000 0.646 275 G HN 0.362 nan 8.290 nan 0.000 0.517 276 V N 2.076 122.048 119.914 0.097 0.000 2.405 276 V HA 0.603 4.723 4.120 -0.000 0.000 0.264 276 V C 0.843 177.122 176.094 0.309 0.000 1.048 276 V CA 0.923 63.324 62.300 0.169 0.000 0.966 276 V CB 1.018 32.933 31.823 0.152 0.000 1.015 276 V HN 0.523 nan 8.190 nan 0.000 0.477 277 T N 3.548 118.233 114.554 0.219 0.000 2.932 277 T HA 0.367 4.717 4.350 -0.000 0.000 0.289 277 T C 0.569 175.154 174.700 -0.193 0.000 1.039 277 T CA -0.398 61.769 62.100 0.111 0.000 1.024 277 T CB 1.264 70.153 68.868 0.036 0.000 1.090 277 T HN 0.508 nan 8.240 nan 0.000 0.496 278 Y N 2.799 122.624 120.300 -0.791 0.000 2.181 278 Y HA -0.015 4.535 4.550 -0.000 0.000 0.288 278 Y C 2.728 178.416 175.900 -0.353 0.000 1.146 278 Y CA 2.184 59.714 58.100 -0.950 0.000 1.164 278 Y CB -0.053 37.902 38.460 -0.841 0.000 0.982 278 Y HN 0.697 nan 8.280 nan 0.000 0.515 279 R N -0.261 120.143 120.500 -0.161 0.000 2.096 279 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 279 R C 2.142 178.362 176.300 -0.134 0.000 1.127 279 R CA 1.683 57.710 56.100 -0.121 0.000 0.968 279 R CB -0.574 29.709 30.300 -0.029 0.000 0.861 279 R HN 0.461 nan 8.270 nan 0.000 0.440 280 L N 0.714 121.880 121.223 -0.095 0.000 2.141 280 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 280 L C 1.791 178.623 176.870 -0.063 0.000 1.094 280 L CA 1.917 56.728 54.840 -0.049 0.000 0.763 280 L CB -0.542 41.516 42.059 -0.002 0.000 0.908 280 L HN 0.133 nan 8.230 nan 0.000 0.437 281 T N -0.587 113.898 114.554 -0.115 0.000 2.708 281 T HA -0.218 4.132 4.350 -0.000 0.000 0.266 281 T C 1.788 176.398 174.700 -0.150 0.000 1.037 281 T CA 1.859 63.901 62.100 -0.097 0.000 1.146 281 T CB -0.210 68.590 68.868 -0.113 0.000 0.865 281 T HN 0.488 nan 8.240 nan 0.000 0.435 282 Q N 0.408 120.045 119.800 -0.272 0.000 2.050 282 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 282 Q C 2.792 178.723 176.000 -0.114 0.000 0.980 282 Q CA 1.435 57.108 55.803 -0.216 0.000 0.840 282 Q CB -0.638 27.946 28.738 -0.257 0.000 0.898 282 Q HN 0.602 nan 8.270 nan 0.000 0.424 283 G N 0.775 109.519 108.800 -0.092 0.000 2.491 283 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 283 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 283 G C 1.556 176.442 174.900 -0.023 0.000 1.180 283 G CA 1.310 46.381 45.100 -0.048 0.000 0.774 283 G HN 0.230 nan 8.290 nan 0.000 0.562 284 V N 0.332 120.244 119.914 -0.002 0.000 2.261 284 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 284 V C 3.031 179.139 176.094 0.023 0.000 1.047 284 V CA 1.636 63.962 62.300 0.043 0.000 1.015 284 V CB -0.686 31.184 31.823 0.078 0.000 0.642 284 V HN 0.243 nan 8.190 nan 0.000 0.446 285 V N -0.348 119.561 119.914 -0.008 0.000 2.295 285 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 285 V C 2.227 178.291 176.094 -0.049 0.000 1.049 285 V CA 2.024 64.305 62.300 -0.031 0.000 1.024 285 V CB -0.610 31.180 31.823 -0.055 0.000 0.648 285 V HN 0.515 nan 8.190 nan 0.000 0.447 286 K N -0.690 119.677 120.400 -0.056 0.000 2.444 286 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 286 K C 0.291 176.864 176.600 -0.045 0.000 1.024 286 K CA -0.218 56.035 56.287 -0.057 0.000 1.077 286 K CB 0.202 32.665 32.500 -0.062 0.000 0.833 286 K HN 0.146 nan 8.250 nan 0.000 0.517 287 R N 0.852 121.331 120.500 -0.034 0.000 3.405 287 R HA -0.194 4.146 4.340 -0.000 0.000 0.258 287 R C -0.331 175.948 176.300 -0.034 0.000 1.030 287 R CA 0.584 56.665 56.100 -0.032 0.000 0.691 287 R CB -2.775 27.500 30.300 -0.041 0.000 1.093 287 R HN 0.345 nan 8.270 nan 0.000 0.448 288 I N 0.905 121.455 120.570 -0.033 0.000 2.815 288 I HA -0.070 4.100 4.170 -0.000 0.000 0.291 288 I C 1.393 177.492 176.117 -0.029 0.000 1.209 288 I CA 0.706 61.986 61.300 -0.033 0.000 1.431 288 I CB 0.317 38.295 38.000 -0.036 0.000 1.351 288 I HN 0.061 nan 8.210 nan 0.000 0.585 289 I N 7.599 128.151 120.570 -0.031 0.000 2.362 289 I HA 0.295 4.465 4.170 -0.000 0.000 0.289 289 I C -2.063 174.028 176.117 -0.044 0.000 0.994 289 I CA -1.897 59.385 61.300 -0.031 0.000 1.158 289 I CB 1.480 39.464 38.000 -0.027 0.000 1.315 289 I HN 0.327 nan 8.210 nan 0.000 0.451 290 P HA 0.266 nan 4.420 nan 0.000 0.265 290 P C -0.980 176.249 177.300 -0.119 0.000 1.193 290 P CA -0.077 62.974 63.100 -0.082 0.000 0.765 290 P CB 0.741 32.387 31.700 -0.091 0.000 0.823 291 A N 1.940 124.689 122.820 -0.119 0.000 2.549 291 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 291 A C -0.845 176.667 177.584 -0.119 0.000 1.061 291 A CA -0.529 51.432 52.037 -0.126 0.000 0.690 291 A CB 1.477 20.435 19.000 -0.069 0.000 1.287 291 A HN 0.409 nan 8.150 nan 0.000 0.402 292 V N -1.631 118.208 119.914 -0.125 0.000 3.078 292 V HA 0.858 4.978 4.120 -0.000 0.000 0.311 292 V C 0.983 177.063 176.094 -0.024 0.000 1.138 292 V CA -0.080 62.181 62.300 -0.066 0.000 1.007 292 V CB 0.994 32.778 31.823 -0.065 0.000 1.045 292 V HN 1.971 nan 8.190 nan 0.000 0.432 293 A N 1.615 124.436 122.820 0.002 0.000 1.883 293 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 293 A C 2.398 179.980 177.584 -0.004 0.000 1.186 293 A CA 3.065 55.102 52.037 0.000 0.000 0.624 293 A CB -1.246 17.750 19.000 -0.007 0.000 0.822 293 A HN 1.834 nan 8.150 nan 0.000 0.444 294 S N -0.331 115.386 115.700 0.028 0.000 2.380 294 S HA -0.277 4.193 4.470 -0.000 0.000 0.229 294 S C 1.870 176.487 174.600 0.029 0.000 1.050 294 S CA 2.404 60.633 58.200 0.048 0.000 1.100 294 S CB -1.706 61.579 63.200 0.141 0.000 0.984 294 S HN 0.542 nan 8.310 nan 0.000 0.434 295 T N 2.812 117.412 114.554 0.077 0.000 2.720 295 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 295 T C 1.839 176.501 174.700 -0.064 0.000 1.037 295 T CA 1.466 63.594 62.100 0.047 0.000 1.144 295 T CB -0.643 68.294 68.868 0.114 0.000 0.864 295 T HN 0.434 nan 8.240 nan 0.000 0.444 296 N N 1.305 119.979 118.700 -0.043 0.000 2.166 296 N HA -0.012 4.728 4.740 -0.000 0.000 0.186 296 N C 2.199 177.661 175.510 -0.079 0.000 1.019 296 N CA 1.277 54.295 53.050 -0.054 0.000 0.856 296 N CB -0.485 37.986 38.487 -0.026 0.000 0.993 296 N HN 0.438 nan 8.380 nan 0.000 0.426 297 A N 0.941 123.711 122.820 -0.083 0.000 1.908 297 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 297 A C 2.554 180.046 177.584 -0.153 0.000 1.181 297 A CA 1.423 53.396 52.037 -0.107 0.000 0.627 297 A CB -0.806 18.127 19.000 -0.112 0.000 0.818 297 A HN 0.101 nan 8.150 nan 0.000 0.445 298 V N 0.549 120.331 119.914 -0.219 0.000 2.237 298 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 298 V C 2.459 178.363 176.094 -0.316 0.000 1.046 298 V CA 1.876 63.967 62.300 -0.348 0.000 1.007 298 V CB -0.706 30.694 31.823 -0.704 0.000 0.638 298 V HN 0.510 nan 8.190 nan 0.000 0.445 299 I N 0.704 121.101 120.570 -0.287 0.000 2.179 299 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 299 I C 2.706 178.730 176.117 -0.155 0.000 1.088 299 I CA 2.037 63.211 61.300 -0.210 0.000 1.357 299 I CB -1.711 36.199 38.000 -0.150 0.000 1.051 299 I HN 0.322 nan 8.210 nan 0.000 0.409 300 A N 0.761 123.506 122.820 -0.126 0.000 1.933 300 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 300 A C 2.570 180.092 177.584 -0.102 0.000 1.175 300 A CA 1.881 53.861 52.037 -0.096 0.000 0.628 300 A CB -0.702 18.259 19.000 -0.066 0.000 0.814 300 A HN 0.420 nan 8.150 nan 0.000 0.444 301 A N -0.490 122.258 122.820 -0.121 0.000 1.902 301 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 301 A C 2.237 179.747 177.584 -0.124 0.000 1.181 301 A CA 1.773 53.738 52.037 -0.120 0.000 0.623 301 A CB -0.942 17.976 19.000 -0.137 0.000 0.818 301 A HN 0.369 nan 8.150 nan 0.000 0.443 302 V N -0.587 119.240 119.914 -0.144 0.000 2.237 302 V HA -0.349 3.771 4.120 -0.000 0.000 0.245 302 V C 2.696 178.721 176.094 -0.115 0.000 1.046 302 V CA 2.154 64.371 62.300 -0.138 0.000 1.007 302 V CB -1.274 30.454 31.823 -0.158 0.000 0.638 302 V HN 0.709 nan 8.190 nan 0.000 0.445 303 C N 0.298 119.528 119.300 -0.116 0.000 2.401 303 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 303 C C 3.100 178.040 174.990 -0.083 0.000 1.233 303 C CA 0.872 59.828 59.018 -0.102 0.000 1.753 303 C CB -1.488 26.190 27.740 -0.104 0.000 2.029 303 C HN 0.657 nan 8.230 nan 0.000 0.478 304 A N 0.242 123.014 122.820 -0.081 0.000 1.858 304 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 304 A C 2.201 179.781 177.584 -0.007 0.000 1.190 304 A CA 2.553 54.552 52.037 -0.063 0.000 0.617 304 A CB -1.331 17.633 19.000 -0.059 0.000 0.827 304 A HN 0.539 nan 8.150 nan 0.000 0.443 305 T N -0.293 114.240 114.554 -0.033 0.000 2.737 305 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 305 T C 1.858 176.597 174.700 0.066 0.000 1.040 305 T CA 1.921 64.012 62.100 -0.015 0.000 1.142 305 T CB -0.261 68.547 68.868 -0.100 0.000 0.861 305 T HN 0.507 nan 8.240 nan 0.000 0.456 306 E N 0.331 120.537 120.200 0.010 0.000 2.106 306 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 306 E C 2.213 178.839 176.600 0.043 0.000 0.984 306 E CA 0.363 56.772 56.400 0.014 0.000 0.806 306 E CB -0.435 29.242 29.700 -0.039 0.000 0.750 306 E HN 0.280 nan 8.360 nan 0.000 0.458 307 V N 0.511 120.444 119.914 0.032 0.000 2.358 307 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 307 V C 2.029 178.230 176.094 0.177 0.000 1.047 307 V CA 1.757 64.069 62.300 0.020 0.000 1.035 307 V CB -0.572 31.171 31.823 -0.134 0.000 0.658 307 V HN 0.269 nan 8.190 nan 0.000 0.452 308 F N 1.163 121.196 119.950 0.139 0.000 2.095 308 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 308 F C 2.412 178.306 175.800 0.157 0.000 1.104 308 F CA 1.949 60.102 58.000 0.256 0.000 1.232 308 F CB -0.264 38.833 39.000 0.163 0.000 0.987 308 F HN 0.000 nan 8.300 nan 0.000 0.475 309 K N 0.332 120.858 120.400 0.210 0.000 2.009 309 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 309 K C 2.128 178.717 176.600 -0.018 0.000 1.049 309 K CA 2.165 58.520 56.287 0.114 0.000 0.929 309 K CB -0.496 32.095 32.500 0.153 0.000 0.714 309 K HN 0.347 nan 8.250 nan 0.000 0.440 310 I N 0.803 121.369 120.570 -0.007 0.000 2.264 310 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 310 I C 2.311 178.391 176.117 -0.062 0.000 1.111 310 I CA 1.115 62.389 61.300 -0.045 0.000 1.382 310 I CB -0.282 37.708 38.000 -0.017 0.000 1.060 310 I HN 0.181 nan 8.210 nan 0.000 0.418 311 A N -0.020 122.775 122.820 -0.042 0.000 2.123 311 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 311 A C 2.095 179.567 177.584 -0.186 0.000 1.152 311 A CA 1.585 53.584 52.037 -0.063 0.000 0.728 311 A CB -0.515 18.537 19.000 0.087 0.000 0.814 311 A HN 0.503 nan 8.150 nan 0.000 0.464 312 T N -6.404 107.991 114.554 -0.265 0.000 2.975 312 T HA 0.221 4.571 4.350 -0.000 0.000 0.261 312 T C 0.725 175.429 174.700 0.007 0.000 0.984 312 T CA 0.917 62.878 62.100 -0.231 0.000 0.911 312 T CB -0.001 68.554 68.868 -0.522 0.000 1.127 312 T HN 0.460 nan 8.240 nan 0.000 0.514 313 S N 0.656 116.349 115.700 -0.012 0.000 3.358 313 S HA -0.250 4.220 4.470 -0.000 0.000 0.309 313 S C 1.506 176.243 174.600 0.229 0.000 1.247 313 S CA 0.637 58.890 58.200 0.089 0.000 0.961 313 S CB -1.851 61.446 63.200 0.162 0.000 1.074 313 S HN 1.093 nan 8.310 nan 0.000 0.625 314 A N -1.302 121.593 122.820 0.125 0.000 2.067 314 A HA 0.326 4.646 4.320 -0.000 0.000 0.219 314 A C 0.580 177.873 177.584 -0.486 0.000 1.158 314 A CA 1.334 53.270 52.037 -0.168 0.000 0.661 314 A CB -0.042 19.082 19.000 0.206 0.000 0.801 314 A HN 0.685 nan 8.150 nan 0.000 0.452 315 Y N -2.868 117.473 120.300 0.068 0.000 2.840 315 Y HA 0.521 5.071 4.550 -0.000 0.000 0.324 315 Y C -0.830 175.145 175.900 0.125 0.000 1.378 315 Y CA -1.356 56.800 58.100 0.094 0.000 1.077 315 Y CB 0.967 39.475 38.460 0.080 0.000 1.361 315 Y HN -0.030 nan 8.280 nan 0.000 0.459 316 I N 2.332 123.102 120.570 0.333 0.000 2.342 316 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 316 I C -2.566 173.640 176.117 0.149 0.000 1.010 316 I CA -1.991 59.453 61.300 0.240 0.000 1.308 316 I CB 0.200 38.330 38.000 0.216 0.000 1.400 316 I HN 0.161 nan 8.210 nan 0.000 0.488 317 P HA -0.004 nan 4.420 nan 0.000 0.265 317 P C -0.337 176.973 177.300 0.017 0.000 1.187 317 P CA -0.402 62.721 63.100 0.038 0.000 0.766 317 P CB 0.374 32.079 31.700 0.008 0.000 0.820 318 L N 3.111 124.324 121.223 -0.018 0.000 2.543 318 L HA -0.003 4.337 4.340 -0.000 0.000 0.285 318 L C 0.525 177.363 176.870 -0.053 0.000 1.236 318 L CA 0.672 55.482 54.840 -0.050 0.000 0.871 318 L CB -0.430 41.577 42.059 -0.086 0.000 1.121 318 L HN 0.278 nan 8.230 nan 0.000 0.501 319 N N 3.586 122.248 118.700 -0.063 0.000 3.124 319 N HA 0.011 4.751 4.740 -0.000 0.000 0.284 319 N C 0.474 175.914 175.510 -0.116 0.000 1.209 319 N CA 0.773 53.785 53.050 -0.064 0.000 1.149 319 N CB -0.752 37.709 38.487 -0.043 0.000 1.434 319 N HN 0.811 nan 8.380 nan 0.000 0.529 320 N N -0.344 118.293 118.700 -0.105 0.000 2.717 320 N HA -0.300 4.440 4.740 -0.000 0.000 0.248 320 N C -0.879 174.540 175.510 -0.151 0.000 1.099 320 N CA 1.492 54.474 53.050 -0.114 0.000 0.843 320 N CB -1.816 36.632 38.487 -0.066 0.000 1.155 320 N HN 0.515 nan 8.380 nan 0.000 0.580 321 Y N -1.435 118.617 120.300 -0.412 0.000 2.393 321 Y HA 0.485 5.035 4.550 0.000 0.000 0.320 321 Y C -1.831 173.794 175.900 -0.459 0.000 1.241 321 Y CA -1.273 56.506 58.100 -0.535 0.000 1.122 321 Y CB 0.965 38.814 38.460 -1.019 0.000 1.322 321 Y HN 0.298 nan 8.280 nan 0.000 0.441 322 L N 6.427 127.489 121.223 -0.269 0.000 2.455 322 L HA 0.895 5.235 4.340 -0.000 0.000 0.264 322 L C -2.049 174.837 176.870 0.027 0.000 0.968 322 L CA -1.073 53.720 54.840 -0.078 0.000 0.827 322 L CB 1.784 43.762 42.059 -0.134 0.000 1.317 322 L HN 0.286 nan 8.230 nan 0.000 0.407 323 V N 4.134 124.163 119.914 0.191 0.000 2.715 323 V HA 0.641 4.761 4.120 -0.000 0.000 0.310 323 V C -0.782 175.442 176.094 0.216 0.000 1.054 323 V CA -0.564 61.886 62.300 0.250 0.000 0.928 323 V CB 1.651 33.692 31.823 0.362 0.000 1.007 323 V HN 0.762 nan 8.190 nan 0.000 0.437 324 F N 2.730 122.716 119.950 0.059 0.000 2.588 324 F HA 0.662 5.189 4.527 0.000 0.000 0.310 324 F C -0.614 175.259 175.800 0.122 0.000 1.082 324 F CA -0.409 57.619 58.000 0.047 0.000 0.929 324 F CB 2.035 41.049 39.000 0.023 0.000 1.254 324 F HN 0.594 nan 8.300 nan 0.000 0.455 325 N N 3.951 122.266 118.700 -0.641 0.000 2.455 325 N HA 0.176 4.916 4.740 -0.000 0.000 0.285 325 N C -0.978 174.180 175.510 -0.586 0.000 1.080 325 N CA -0.482 52.347 53.050 -0.369 0.000 0.932 325 N CB 1.577 40.061 38.487 -0.005 0.000 1.610 325 N HN 0.670 nan 8.380 nan 0.000 0.493 326 D N 1.776 121.982 120.400 -0.324 0.000 2.324 326 D HA -0.010 4.630 4.640 -0.000 0.000 0.212 326 D C 2.133 178.286 176.300 -0.244 0.000 0.984 326 D CA 0.805 54.660 54.000 -0.242 0.000 0.885 326 D CB 0.451 41.236 40.800 -0.025 0.000 0.996 326 D HN 0.428 nan 8.370 nan 0.000 0.505 327 V N 0.101 119.903 119.914 -0.188 0.000 2.277 327 V HA -0.212 3.908 4.120 -0.000 0.000 0.253 327 V C 0.954 176.950 176.094 -0.164 0.000 1.067 327 V CA 1.701 63.882 62.300 -0.199 0.000 1.047 327 V CB -0.538 31.250 31.823 -0.059 0.000 0.649 327 V HN -0.004 nan 8.190 nan 0.000 0.447 328 D N 0.132 120.458 120.400 -0.124 0.000 2.438 328 D HA 0.495 5.135 4.640 -0.000 0.000 0.257 328 D C 0.579 176.821 176.300 -0.097 0.000 1.148 328 D CA 0.972 54.909 54.000 -0.106 0.000 0.902 328 D CB 0.463 41.207 40.800 -0.094 0.000 1.062 328 D HN 0.669 nan 8.370 nan 0.000 0.518 329 G N 2.444 111.187 108.800 -0.095 0.000 2.528 329 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.262 329 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.262 329 G C -0.698 174.153 174.900 -0.081 0.000 1.200 329 G CA -0.068 44.991 45.100 -0.069 0.000 0.951 329 G HN 0.532 nan 8.290 nan 0.000 0.566 330 L N -0.379 120.819 121.223 -0.042 0.000 2.404 330 L HA 0.642 4.982 4.340 -0.000 0.000 0.272 330 L C -0.885 175.998 176.870 0.022 0.000 0.980 330 L CA -0.835 53.966 54.840 -0.066 0.000 0.836 330 L CB 1.976 44.039 42.059 0.008 0.000 1.238 330 L HN 0.721 nan 8.230 nan 0.000 0.408 331 Y N 2.851 123.017 120.300 -0.223 0.000 2.462 331 Y HA 0.752 5.302 4.550 0.000 0.000 0.346 331 Y C -0.546 175.322 175.900 -0.054 0.000 0.976 331 Y CA -0.772 57.265 58.100 -0.105 0.000 1.044 331 Y CB 2.245 40.651 38.460 -0.091 0.000 1.230 331 Y HN 0.560 nan 8.280 nan 0.000 0.455 332 T N 2.891 117.057 114.554 -0.647 0.000 3.032 332 T HA 0.412 4.762 4.350 -0.000 0.000 0.312 332 T C -2.068 172.313 174.700 -0.533 0.000 1.078 332 T CA -0.662 61.180 62.100 -0.430 0.000 1.028 332 T CB 1.277 70.115 68.868 -0.049 0.000 1.091 332 T HN 0.596 nan 8.240 nan 0.000 0.457 333 Y N 2.057 122.094 120.300 -0.438 0.000 2.350 333 Y HA 0.631 5.181 4.550 0.000 0.000 0.338 333 Y C -0.729 175.222 175.900 0.086 0.000 0.961 333 Y CA -0.748 57.253 58.100 -0.165 0.000 1.100 333 Y CB 1.875 40.312 38.460 -0.038 0.000 1.179 333 Y HN 0.924 nan 8.280 nan 0.000 0.454 334 T N 7.935 122.225 114.554 -0.440 0.000 2.823 334 T HA 0.693 5.043 4.350 -0.000 0.000 0.279 334 T C -1.283 173.104 174.700 -0.521 0.000 0.998 334 T CA -0.388 61.495 62.100 -0.361 0.000 0.994 334 T CB 0.796 69.553 68.868 -0.186 0.000 0.960 334 T HN 0.519 nan 8.240 nan 0.000 0.448 335 F N -0.507 119.169 119.950 -0.457 0.000 2.693 335 F HA 0.601 5.128 4.527 0.000 0.000 0.309 335 F C -0.997 174.735 175.800 -0.115 0.000 1.129 335 F CA -1.263 56.531 58.000 -0.343 0.000 0.948 335 F CB 1.509 40.232 39.000 -0.462 0.000 1.315 335 F HN 0.498 nan 8.300 nan 0.000 0.447 336 E N 2.362 122.596 120.200 0.058 0.000 1.993 336 E HA 0.585 4.935 4.350 -0.000 0.000 0.271 336 E C -0.574 176.109 176.600 0.138 0.000 1.008 336 E CA -0.734 55.662 56.400 -0.007 0.000 0.814 336 E CB 0.965 30.690 29.700 0.041 0.000 1.098 336 E HN 0.961 nan 8.360 nan 0.000 0.407 337 A N 5.136 127.954 122.820 -0.004 0.000 2.488 337 A HA 0.066 4.386 4.320 -0.000 0.000 0.249 337 A C 0.245 177.897 177.584 0.113 0.000 1.083 337 A CA -0.249 51.907 52.037 0.198 0.000 0.768 337 A CB 0.323 19.371 19.000 0.079 0.000 1.017 337 A HN 0.666 nan 8.150 nan 0.000 0.496 338 E N 1.272 121.544 120.200 0.121 0.000 2.384 338 E HA 0.024 4.374 4.350 -0.000 0.000 0.266 338 E C 0.232 176.867 176.600 0.059 0.000 1.012 338 E CA -0.014 56.431 56.400 0.076 0.000 0.901 338 E CB 0.702 30.441 29.700 0.064 0.000 0.967 338 E HN 0.602 nan 8.360 nan 0.000 0.435 339 R N 3.573 124.103 120.500 0.049 0.000 2.220 339 R HA 0.061 4.401 4.340 -0.000 0.000 0.340 339 R C -0.216 176.108 176.300 0.041 0.000 1.076 339 R CA -0.373 55.753 56.100 0.044 0.000 0.920 339 R CB 0.252 30.577 30.300 0.041 0.000 1.062 339 R HN 0.265 nan 8.270 nan 0.000 0.469 340 K N 3.511 123.935 120.400 0.039 0.000 2.466 340 K HA -0.104 4.216 4.320 -0.000 0.000 0.278 340 K C 0.442 177.064 176.600 0.037 0.000 1.048 340 K CA 0.590 56.899 56.287 0.037 0.000 1.088 340 K CB 0.603 33.124 32.500 0.036 0.000 0.884 340 K HN 0.661 nan 8.250 nan 0.000 0.478 341 E N 1.589 121.810 120.200 0.035 0.000 2.478 341 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 341 E C 0.529 177.149 176.600 0.033 0.000 1.046 341 E CA 0.727 57.146 56.400 0.032 0.000 0.870 341 E CB -0.077 29.640 29.700 0.029 0.000 0.818 341 E HN 0.624 nan 8.360 nan 0.000 0.527 342 N N -0.418 118.305 118.700 0.039 0.000 2.282 342 N HA 0.101 4.841 4.740 -0.000 0.000 0.240 342 N C -0.232 175.305 175.510 0.045 0.000 1.182 342 N CA -0.526 52.552 53.050 0.047 0.000 0.874 342 N CB 0.377 38.901 38.487 0.061 0.000 1.126 342 N HN -0.105 nan 8.380 nan 0.000 0.516 343 C N 2.323 121.645 119.300 0.036 0.000 2.601 343 C HA 0.114 4.574 4.460 -0.000 0.000 0.405 343 C C -0.658 174.349 174.990 0.028 0.000 1.441 343 C CA -1.127 57.909 59.018 0.031 0.000 1.555 343 C CB 0.283 28.041 27.740 0.030 0.000 2.450 343 C HN 0.437 nan 8.230 nan 0.000 0.614 344 P HA -0.126 nan 4.420 nan 0.000 0.217 344 P C 1.146 178.453 177.300 0.011 0.000 1.148 344 P CA 2.263 65.375 63.100 0.021 0.000 0.828 344 P CB 0.160 31.863 31.700 0.006 0.000 0.783 345 A N -0.518 122.306 122.820 0.007 0.000 1.864 345 A HA -0.097 4.223 4.320 -0.000 0.000 0.213 345 A C 2.169 179.760 177.584 0.011 0.000 1.266 345 A CA 1.347 53.383 52.037 -0.001 0.000 0.612 345 A CB -1.349 17.646 19.000 -0.009 0.000 0.940 345 A HN 0.389 nan 8.150 nan 0.000 0.463 346 C N 1.030 120.343 119.300 0.022 0.000 2.613 346 C HA 0.397 4.857 4.460 -0.000 0.000 0.273 346 C C 1.252 176.274 174.990 0.054 0.000 1.304 346 C CA -0.332 58.712 59.018 0.043 0.000 1.702 346 C CB -2.358 25.407 27.740 0.042 0.000 1.792 346 C HN 0.501 nan 8.230 nan 0.000 0.588 347 S N 0.834 116.554 115.700 0.033 0.000 2.466 347 S HA 0.072 4.542 4.470 -0.000 0.000 0.286 347 S C 1.234 175.826 174.600 -0.013 0.000 1.221 347 S CA 0.005 58.215 58.200 0.017 0.000 1.091 347 S CB 0.559 63.767 63.200 0.014 0.000 0.956 347 S HN 0.629 nan 8.310 nan 0.000 0.501 348 Q N 2.600 122.372 119.800 -0.048 0.000 2.142 348 Q HA -0.171 4.169 4.340 -0.000 0.000 0.213 348 Q C 0.529 176.396 176.000 -0.221 0.000 1.004 348 Q CA 1.758 57.428 55.803 -0.223 0.000 0.883 348 Q CB -0.273 28.302 28.738 -0.271 0.000 0.939 348 Q HN 0.848 nan 8.270 nan 0.000 0.413 349 L N -0.458 120.690 121.223 -0.126 0.000 2.421 349 L HA 0.373 4.713 4.340 -0.000 0.000 0.267 349 L C -2.014 174.832 176.870 -0.040 0.000 1.036 349 L CA -2.253 52.533 54.840 -0.090 0.000 0.829 349 L CB 0.538 42.553 42.059 -0.074 0.000 1.437 349 L HN -0.026 nan 8.230 nan 0.000 0.488 350 P HA 0.026 nan 4.420 nan 0.000 0.272 350 P C -1.183 176.130 177.300 0.022 0.000 1.230 350 P CA -0.325 62.777 63.100 0.003 0.000 0.788 350 P CB 0.387 32.089 31.700 0.004 0.000 0.949 351 Q N 2.049 121.876 119.800 0.045 0.000 2.452 351 Q HA 0.105 4.445 4.340 -0.000 0.000 0.230 351 Q C -0.637 175.414 176.000 0.086 0.000 1.180 351 Q CA 0.254 56.103 55.803 0.077 0.000 0.914 351 Q CB -1.181 27.621 28.738 0.106 0.000 1.408 351 Q HN 0.157 nan 8.270 nan 0.000 0.520 352 N N 5.137 123.873 118.700 0.060 0.000 2.663 352 N HA 0.220 4.960 4.740 -0.000 0.000 0.250 352 N C -1.306 174.223 175.510 0.032 0.000 1.129 352 N CA -0.152 52.919 53.050 0.035 0.000 0.995 352 N CB 0.102 38.594 38.487 0.009 0.000 1.324 352 N HN 0.476 nan 8.380 nan 0.000 0.512 353 I N -0.196 120.401 120.570 0.045 0.000 2.627 353 I HA 0.281 4.451 4.170 -0.000 0.000 0.288 353 I C -0.788 175.137 176.117 -0.320 0.000 1.202 353 I CA -0.751 60.517 61.300 -0.055 0.000 1.050 353 I CB 1.309 39.469 38.000 0.266 0.000 1.264 353 I HN 0.267 nan 8.210 nan 0.000 0.429 354 Q N 3.930 123.342 119.800 -0.645 0.000 2.303 354 Q HA 0.507 4.847 4.340 -0.000 0.000 0.257 354 Q C -1.132 174.130 176.000 -1.231 0.000 0.941 354 Q CA -0.412 54.994 55.803 -0.662 0.000 0.931 354 Q CB 1.297 29.815 28.738 -0.367 0.000 1.215 354 Q HN 0.647 nan 8.270 nan 0.000 0.437 355 F N 1.629 121.460 119.950 -0.199 0.000 2.647 355 F HA 0.241 4.768 4.527 -0.000 0.000 0.300 355 F C 0.041 175.758 175.800 -0.138 0.000 1.106 355 F CA -0.232 57.626 58.000 -0.237 0.000 1.313 355 F CB 0.926 39.641 39.000 -0.474 0.000 1.007 355 F HN 0.463 nan 8.300 nan 0.000 0.536 356 S N -2.553 113.064 115.700 -0.139 0.000 2.608 356 S HA 0.325 4.795 4.470 -0.000 0.000 0.285 356 S C -2.575 171.975 174.600 -0.083 0.000 1.108 356 S CA -1.074 57.084 58.200 -0.070 0.000 0.858 356 S CB 1.227 64.417 63.200 -0.016 0.000 1.077 356 S HN -0.196 nan 8.310 nan 0.000 0.450 357 P HA 0.038 nan 4.420 nan 0.000 0.213 357 P C 0.714 177.988 177.300 -0.044 0.000 1.170 357 P CA 2.183 65.250 63.100 -0.055 0.000 0.902 357 P CB 0.060 31.737 31.700 -0.038 0.000 0.789 358 S N -4.472 111.210 115.700 -0.029 0.000 3.895 358 S HA 0.414 4.884 4.470 -0.000 0.000 0.096 358 S C 0.365 174.958 174.600 -0.011 0.000 0.858 358 S CA 0.131 58.319 58.200 -0.020 0.000 0.827 358 S CB -1.341 61.847 63.200 -0.021 0.000 1.078 358 S HN 0.167 nan 8.310 nan 0.000 0.717 359 A N 2.623 125.439 122.820 -0.007 0.000 2.618 359 A HA 0.611 4.931 4.320 -0.000 0.000 0.199 359 A C 0.781 178.365 177.584 -0.000 0.000 1.666 359 A CA 0.554 52.589 52.037 -0.003 0.000 0.621 359 A CB -0.118 18.882 19.000 -0.001 0.000 1.172 359 A HN 0.636 nan 8.150 nan 0.000 0.489 360 K N -2.038 118.363 120.400 0.003 0.000 2.380 360 K HA 0.571 4.891 4.320 -0.000 0.000 0.243 360 K C 0.734 177.338 176.600 0.007 0.000 1.071 360 K CA -0.564 55.724 56.287 0.001 0.000 0.942 360 K CB 0.785 33.282 32.500 -0.004 0.000 1.324 360 K HN 0.310 nan 8.250 nan 0.000 0.517 361 L N 0.872 122.094 121.223 -0.001 0.000 2.046 361 L HA -0.096 4.244 4.340 -0.000 0.000 0.203 361 L C 1.969 178.845 176.870 0.010 0.000 1.111 361 L CA 1.260 56.102 54.840 0.004 0.000 0.769 361 L CB -0.328 41.719 42.059 -0.019 0.000 0.914 361 L HN 0.468 nan 8.230 nan 0.000 0.448 362 Q N 0.754 120.543 119.800 -0.019 0.000 2.345 362 Q HA -0.324 4.016 4.340 -0.000 0.000 0.219 362 Q C 1.563 177.585 176.000 0.037 0.000 1.019 362 Q CA 2.146 57.943 55.803 -0.010 0.000 0.966 362 Q CB -0.694 28.031 28.738 -0.022 0.000 0.988 362 Q HN 0.656 nan 8.270 nan 0.000 0.419 363 E N -0.632 119.595 120.200 0.044 0.000 2.352 363 E HA 0.007 4.357 4.350 -0.000 0.000 0.197 363 E C 1.131 177.798 176.600 0.111 0.000 1.224 363 E CA 0.371 56.813 56.400 0.070 0.000 1.118 363 E CB 0.047 29.778 29.700 0.051 0.000 1.198 363 E HN 0.318 nan 8.360 nan 0.000 0.454 364 V N -3.782 116.210 119.914 0.131 0.000 3.359 364 V HA -0.005 4.115 4.120 -0.000 0.000 0.204 364 V C 1.667 177.874 176.094 0.189 0.000 1.410 364 V CA -0.314 62.102 62.300 0.194 0.000 1.303 364 V CB -0.448 31.470 31.823 0.159 0.000 1.198 364 V HN 0.152 nan 8.190 nan 0.000 0.531 365 L N 1.775 123.079 121.223 0.134 0.000 2.043 365 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 365 L C 2.128 179.056 176.870 0.097 0.000 1.075 365 L CA 2.678 57.594 54.840 0.127 0.000 0.752 365 L CB -0.756 41.384 42.059 0.136 0.000 0.891 365 L HN 0.405 nan 8.230 nan 0.000 0.432 366 D N -1.945 118.511 120.400 0.093 0.000 2.149 366 D HA -0.213 4.427 4.640 -0.000 0.000 0.201 366 D C 1.939 178.280 176.300 0.068 0.000 0.972 366 D CA 1.289 55.331 54.000 0.069 0.000 0.835 366 D CB -0.225 40.614 40.800 0.064 0.000 0.966 366 D HN 0.489 nan 8.370 nan 0.000 0.476 367 Y N 2.000 122.288 120.300 -0.021 0.000 2.181 367 Y HA -0.154 4.396 4.550 0.000 0.000 0.288 367 Y C 2.091 177.941 175.900 -0.085 0.000 1.146 367 Y CA 1.247 59.297 58.100 -0.083 0.000 1.164 367 Y CB -0.510 37.881 38.460 -0.115 0.000 0.982 367 Y HN -0.118 nan 8.280 nan 0.000 0.515 368 L N -0.952 120.136 121.223 -0.224 0.000 2.109 368 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 368 L C 2.282 179.032 176.870 -0.200 0.000 1.086 368 L CA 1.737 56.399 54.840 -0.297 0.000 0.760 368 L CB -0.873 41.140 42.059 -0.076 0.000 0.910 368 L HN 0.166 nan 8.230 nan 0.000 0.437 369 T N -0.491 114.005 114.554 -0.096 0.000 2.904 369 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 369 T C 1.534 176.192 174.700 -0.070 0.000 1.059 369 T CA 1.082 63.147 62.100 -0.058 0.000 1.137 369 T CB -0.055 68.809 68.868 -0.005 0.000 0.879 369 T HN 0.345 nan 8.240 nan 0.000 0.467 370 N N 0.515 119.164 118.700 -0.084 0.000 2.348 370 N HA 0.095 4.835 4.740 -0.000 0.000 0.183 370 N C 0.690 176.140 175.510 -0.100 0.000 1.094 370 N CA 0.054 53.064 53.050 -0.067 0.000 0.885 370 N CB 0.061 38.532 38.487 -0.026 0.000 1.065 370 N HN 0.161 nan 8.380 nan 0.000 0.472 371 S N 1.312 116.894 115.700 -0.196 0.000 2.670 371 S HA 0.168 4.638 4.470 -0.000 0.000 0.308 371 S C 1.454 175.959 174.600 -0.159 0.000 1.232 371 S CA -0.120 57.944 58.200 -0.228 0.000 1.126 371 S CB 0.275 63.144 63.200 -0.552 0.000 0.897 371 S HN 0.358 nan 8.310 nan 0.000 0.508 372 A N 4.452 127.222 122.820 -0.084 0.000 2.093 372 A HA -0.121 4.199 4.320 -0.000 0.000 0.222 372 A C 2.246 179.801 177.584 -0.048 0.000 1.162 372 A CA 2.064 54.072 52.037 -0.049 0.000 0.655 372 A CB -0.809 18.179 19.000 -0.021 0.000 0.805 372 A HN 1.247 nan 8.150 nan 0.000 0.461 373 S N -1.773 113.883 115.700 -0.073 0.000 2.575 373 S HA 0.352 4.822 4.470 -0.000 0.000 0.215 373 S C 1.266 175.818 174.600 -0.080 0.000 0.966 373 S CA 0.541 58.709 58.200 -0.054 0.000 0.911 373 S CB -0.156 63.022 63.200 -0.036 0.000 0.780 373 S HN 0.465 nan 8.310 nan 0.000 0.514 374 L N -0.648 120.493 121.223 -0.138 0.000 2.641 374 L HA 0.322 4.662 4.340 -0.000 0.000 0.207 374 L C 0.544 177.350 176.870 -0.106 0.000 1.049 374 L CA -0.226 54.523 54.840 -0.150 0.000 0.866 374 L CB -0.763 41.123 42.059 -0.288 0.000 1.264 374 L HN 0.143 nan 8.230 nan 0.000 0.483 375 Q N 1.663 121.396 119.800 -0.112 0.000 2.388 375 Q HA -0.201 4.139 4.340 -0.000 0.000 0.346 375 Q C -0.197 175.769 176.000 -0.055 0.000 1.319 375 Q CA 0.523 56.283 55.803 -0.072 0.000 1.023 375 Q CB -1.293 27.423 28.738 -0.038 0.000 1.247 375 Q HN 0.478 nan 8.270 nan 0.000 0.411 376 M N 0.234 119.793 119.600 -0.067 0.000 2.227 376 M HA 0.297 4.777 4.480 -0.000 0.000 0.316 376 M C 0.311 176.595 176.300 -0.027 0.000 1.144 376 M CA 0.179 55.455 55.300 -0.041 0.000 1.121 376 M CB 0.909 33.483 32.600 -0.043 0.000 1.440 376 M HN 0.073 nan 8.290 nan 0.000 0.473 377 K N 0.294 120.686 120.400 -0.015 0.000 2.259 377 K HA 0.279 4.599 4.320 -0.000 0.000 0.252 377 K C -0.328 176.267 176.600 -0.009 0.000 0.936 377 K CA -0.412 55.869 56.287 -0.010 0.000 0.810 377 K CB 1.344 33.838 32.500 -0.010 0.000 1.143 377 K HN 0.811 nan 8.250 nan 0.000 0.427 378 S N 1.678 117.375 115.700 -0.006 0.000 3.290 378 S HA -0.124 4.346 4.470 -0.000 0.000 0.255 378 S C -2.364 172.211 174.600 -0.041 0.000 0.721 378 S CA -0.093 58.094 58.200 -0.021 0.000 1.365 378 S CB -1.737 61.439 63.200 -0.040 0.000 0.903 378 S HN 0.478 nan 8.310 nan 0.000 0.410 379 P HA 0.667 nan 4.420 nan 0.000 0.296 379 P C -0.245 177.031 177.300 -0.040 0.000 1.295 379 P CA -0.040 63.053 63.100 -0.012 0.000 0.754 379 P CB 0.354 32.064 31.700 0.016 0.000 1.311 380 A N -0.344 122.470 122.820 -0.010 0.000 2.532 380 A HA 0.607 4.927 4.320 -0.000 0.000 0.296 380 A C -1.210 176.394 177.584 0.033 0.000 1.058 380 A CA -0.426 51.603 52.037 -0.014 0.000 0.729 380 A CB 0.447 19.416 19.000 -0.052 0.000 1.285 380 A HN 0.316 nan 8.150 nan 0.000 0.396 381 I N 1.367 121.978 120.570 0.067 0.000 2.412 381 I HA 0.566 4.736 4.170 -0.000 0.000 0.296 381 I C 0.071 176.224 176.117 0.059 0.000 0.987 381 I CA -0.443 60.900 61.300 0.071 0.000 1.180 381 I CB 2.270 40.327 38.000 0.095 0.000 1.340 381 I HN 0.540 nan 8.210 nan 0.000 0.455 382 T N 4.564 119.146 114.554 0.047 0.000 2.824 382 T HA 0.720 5.070 4.350 -0.000 0.000 0.282 382 T C -0.310 174.412 174.700 0.037 0.000 0.993 382 T CA -0.371 61.752 62.100 0.039 0.000 0.967 382 T CB 1.719 70.604 68.868 0.029 0.000 0.960 382 T HN 0.730 nan 8.240 nan 0.000 0.441 383 A N 2.849 125.690 122.820 0.034 0.000 2.347 383 A HA 0.993 5.313 4.320 -0.000 0.000 0.301 383 A C -0.039 177.559 177.584 0.023 0.000 1.163 383 A CA -0.575 51.480 52.037 0.029 0.000 0.860 383 A CB 1.386 20.404 19.000 0.030 0.000 1.367 383 A HN 0.729 nan 8.150 nan 0.000 0.461 390 R N -0.043 120.468 120.500 0.020 0.000 2.828 390 R HA 0.627 4.967 4.340 -0.000 0.000 0.264 390 R C -0.246 176.071 176.300 0.028 0.000 1.022 390 R CA -0.662 55.452 56.100 0.023 0.000 1.021 390 R CB 1.336 31.650 30.300 0.023 0.000 1.163 390 R HN 0.093 nan 8.270 nan 0.000 0.494 391 T N 1.737 116.310 114.554 0.031 0.000 2.795 391 T HA 0.295 4.645 4.350 -0.000 0.000 0.282 391 T C 0.976 175.709 174.700 0.054 0.000 0.980 391 T CA -0.417 61.706 62.100 0.038 0.000 1.012 391 T CB 0.975 69.861 68.868 0.030 0.000 0.936 391 T HN 0.336 nan 8.240 nan 0.000 0.457 392 L N 1.695 122.961 121.223 0.073 0.000 2.157 392 L HA 0.382 4.722 4.340 -0.000 0.000 0.201 392 L C 0.191 177.161 176.870 0.168 0.000 1.221 392 L CA 0.113 55.014 54.840 0.101 0.000 0.915 392 L CB -0.112 42.006 42.059 0.099 0.000 1.013 392 L HN 0.520 nan 8.230 nan 0.000 0.522 393 Y N -0.979 119.334 120.300 0.021 0.000 2.457 393 Y HA 0.405 4.955 4.550 0.000 0.000 0.333 393 Y C 0.198 176.109 175.900 0.019 0.000 1.119 393 Y CA -0.882 57.230 58.100 0.019 0.000 1.143 393 Y CB 1.691 40.164 38.460 0.022 0.000 1.230 393 Y HN 0.039 nan 8.280 nan 0.000 0.469 394 L N 1.557 122.535 121.223 -0.408 0.000 2.688 394 L HA 0.139 4.479 4.340 -0.000 0.000 0.216 394 L C 0.945 177.530 176.870 -0.476 0.000 1.036 394 L CA 1.036 55.669 54.840 -0.346 0.000 0.906 394 L CB -0.041 41.927 42.059 -0.152 0.000 1.501 394 L HN 0.864 nan 8.230 nan 0.000 0.489 395 Q N -1.238 118.223 119.800 -0.566 0.000 2.281 395 Q HA -0.282 4.058 4.340 -0.000 0.000 0.148 395 Q C 0.830 176.724 176.000 -0.178 0.000 1.069 395 Q CA 1.289 56.868 55.803 -0.374 0.000 1.297 395 Q CB -2.078 26.428 28.738 -0.386 0.000 1.268 395 Q HN 0.513 nan 8.270 nan 0.000 0.952 601 T N -0.560 113.995 114.554 0.002 0.000 2.896 601 T HA 0.303 4.653 4.350 -0.000 0.000 0.263 601 T C 2.222 176.929 174.700 0.011 0.000 1.050 601 T CA 3.497 65.603 62.100 0.010 0.000 1.140 601 T CB -0.610 68.263 68.868 0.008 0.000 0.877 601 T HN 1.986 nan 8.240 nan 0.000 0.457 602 S N 0.981 116.682 115.700 0.003 0.000 2.374 602 S HA 0.162 4.632 4.470 -0.000 0.000 0.227 602 S C 2.444 177.046 174.600 0.004 0.000 1.037 602 S CA 2.824 61.025 58.200 0.003 0.000 1.024 602 S CB -1.215 61.982 63.200 -0.006 0.000 0.861 602 S HN 0.928 nan 8.310 nan 0.000 0.456 603 I N 0.776 121.341 120.570 -0.009 0.000 2.086 603 I HA 0.223 4.393 4.170 -0.000 0.000 0.233 603 I C 2.666 178.810 176.117 0.045 0.000 1.060 603 I CA 2.690 63.978 61.300 -0.020 0.000 1.326 603 I CB -2.097 35.861 38.000 -0.070 0.000 1.067 603 I HN 0.681 nan 8.210 nan 0.000 0.398 604 E N 0.381 120.610 120.200 0.048 0.000 2.330 604 E HA -0.481 3.869 4.350 -0.000 0.000 0.239 604 E C 2.238 178.883 176.600 0.075 0.000 1.097 604 E CA 4.634 61.075 56.400 0.068 0.000 1.031 604 E CB -1.938 27.787 29.700 0.042 0.000 0.885 604 E HN 1.553 nan 8.360 nan 0.000 0.479 605 E N -0.444 119.789 120.200 0.055 0.000 2.065 605 E HA -0.193 4.157 4.350 -0.000 0.000 0.201 605 E C 2.436 179.077 176.600 0.069 0.000 1.016 605 E CA 4.016 60.446 56.400 0.050 0.000 0.818 605 E CB -1.213 28.510 29.700 0.038 0.000 0.749 605 E HN 1.118 nan 8.360 nan 0.000 0.453 606 R N -0.372 120.186 120.500 0.097 0.000 2.223 606 R HA 0.405 4.745 4.340 -0.000 0.000 0.198 606 R C 2.389 178.844 176.300 0.258 0.000 0.984 606 R CA 1.417 57.602 56.100 0.141 0.000 1.018 606 R CB -1.331 29.056 30.300 0.145 0.000 0.945 606 R HN 0.825 nan 8.270 nan 0.000 0.479 607 T N 0.937 115.666 114.554 0.291 0.000 4.578 607 T HA 0.542 4.892 4.350 -0.000 0.000 0.236 607 T C 0.599 175.418 174.700 0.199 0.000 1.038 607 T CA 1.065 63.433 62.100 0.447 0.000 1.067 607 T CB -1.202 67.836 68.868 0.283 0.000 1.390 607 T HN 1.308 nan 8.240 nan 0.000 1.076 701 E N 0.549 120.747 120.200 -0.003 0.000 2.474 701 E HA 0.537 4.887 4.350 -0.000 0.000 0.215 701 E C 2.206 178.806 176.600 -0.000 0.000 0.867 701 E CA 1.525 57.924 56.400 -0.002 0.000 1.135 701 E CB -0.280 29.418 29.700 -0.003 0.000 1.147 701 E HN 1.805 nan 8.360 nan 0.000 0.534 702 L N 0.686 121.909 121.223 0.001 0.000 2.027 702 L HA 0.353 4.693 4.340 -0.000 0.000 0.206 702 L C 2.914 179.787 176.870 0.005 0.000 1.074 702 L CA 2.668 57.509 54.840 0.002 0.000 0.745 702 L CB -1.487 40.574 42.059 0.003 0.000 0.898 702 L HN 0.495 nan 8.230 nan 0.000 0.433 703 G N -1.048 107.756 108.800 0.007 0.000 2.430 703 G HA2 0.264 4.224 3.960 -0.000 0.000 0.216 703 G HA3 0.264 4.224 3.960 -0.000 0.000 0.216 703 G C 1.381 176.287 174.900 0.011 0.000 1.146 703 G CA 1.150 46.256 45.100 0.011 0.000 0.793 703 G HN 1.311 nan 8.290 nan 0.000 0.537 704 L N -0.086 121.142 121.223 0.008 0.000 2.798 704 L HA 0.740 5.080 4.340 -0.000 0.000 0.254 704 L C 1.803 178.675 176.870 0.002 0.000 1.176 704 L CA 1.388 56.232 54.840 0.007 0.000 0.991 704 L CB -1.227 40.835 42.059 0.004 0.000 1.225 704 L HN 0.671 nan 8.230 nan 0.000 0.420 705 V N -3.397 116.518 119.914 0.003 0.000 3.093 705 V HA 0.313 4.433 4.120 -0.000 0.000 0.251 705 V C 0.872 176.967 176.094 0.001 0.000 1.719 705 V CA 1.170 63.469 62.300 -0.001 0.000 1.026 705 V CB -0.996 30.826 31.823 -0.002 0.000 0.926 705 V HN 0.589 nan 8.190 nan 0.000 0.396 801 Q N -1.339 118.459 119.800 -0.003 0.000 2.477 801 Q HA 0.809 5.149 4.340 -0.000 0.000 0.252 801 Q C 0.938 176.929 176.000 -0.015 0.000 0.869 801 Q CA 2.540 58.337 55.803 -0.009 0.000 0.969 801 Q CB -0.007 28.726 28.738 -0.008 0.000 1.144 801 Q HN 2.571 nan 8.270 nan 0.000 0.577 901 V N -1.391 118.536 119.914 0.021 0.000 7.072 901 V HA 0.487 4.607 4.120 -0.000 0.000 0.381 901 V C 0.784 176.896 176.094 0.030 0.000 0.337 901 V CA 0.642 62.956 62.300 0.024 0.000 0.766 901 V CB -2.292 29.540 31.823 0.015 0.000 0.226 901 V HN 2.728 nan 8.190 nan 0.000 1.492 902 A N -0.418 122.425 122.820 0.038 0.000 2.567 902 A HA 0.656 4.976 4.320 -0.000 0.000 0.236 902 A C 0.576 178.188 177.584 0.047 0.000 1.088 902 A CA 1.505 53.570 52.037 0.047 0.000 0.776 902 A CB 0.144 19.182 19.000 0.063 0.000 1.033 902 A HN 2.555 nan 8.150 nan 0.000 0.513 903 D N -1.326 119.101 120.400 0.045 0.000 2.855 903 D HA 0.679 5.319 4.640 -0.000 0.000 0.241 903 D C -0.656 175.668 176.300 0.039 0.000 1.277 903 D CA 0.151 54.173 54.000 0.038 0.000 0.918 903 D CB 0.884 41.701 40.800 0.028 0.000 1.462 903 D HN 1.737 nan 8.370 nan 0.000 0.559 904 V N -1.019 118.917 119.914 0.037 0.000 2.975 904 V HA 1.092 5.212 4.120 -0.000 0.000 0.318 904 V C 0.621 176.724 176.094 0.016 0.000 1.077 904 V CA -0.005 62.314 62.300 0.032 0.000 1.000 904 V CB 1.839 33.686 31.823 0.039 0.000 1.066 904 V HN 1.520 nan 8.190 nan 0.000 0.452 905 T N 1.174 115.735 114.554 0.011 0.000 3.548 905 T HA 0.832 5.182 4.350 -0.000 0.000 0.329 905 T C -0.250 174.452 174.700 0.004 0.000 0.960 905 T CA 0.302 62.405 62.100 0.005 0.000 1.041 905 T CB 0.142 69.014 68.868 0.007 0.000 1.065 905 T HN 1.859 nan 8.240 nan 0.000 0.459 906 T N 2.168 116.726 114.554 0.006 0.000 2.875 906 T HA 0.918 5.268 4.350 -0.000 0.000 0.284 906 T C -1.395 173.323 174.700 0.029 0.000 0.995 906 T CA -0.851 61.254 62.100 0.008 0.000 1.060 906 T CB 0.014 68.883 68.868 0.003 0.000 0.967 906 T HN 0.623 nan 8.240 nan 0.000 0.476 907 P HA 0.445 nan 4.420 nan 0.000 0.247 907 P C 0.975 178.316 177.300 0.069 0.000 1.147 907 P CA 1.729 64.846 63.100 0.029 0.000 0.964 907 P CB -1.624 30.076 31.700 0.000 0.000 0.944 908 Q N 0.131 120.015 119.800 0.140 0.000 2.196 908 Q HA -0.382 3.958 4.340 -0.000 0.000 0.191 908 Q C 1.903 178.093 176.000 0.315 0.000 0.656 908 Q CA 3.545 59.522 55.803 0.290 0.000 1.453 908 Q CB -3.074 25.734 28.738 0.117 0.000 1.707 908 Q HN 1.106 nan 8.270 nan 0.000 0.731 909 T N -1.720 112.920 114.554 0.144 0.000 2.720 909 T HA 0.470 4.820 4.350 -0.000 0.000 0.268 909 T C 1.689 176.436 174.700 0.077 0.000 1.037 909 T CA 3.622 65.779 62.100 0.094 0.000 1.144 909 T CB -0.311 68.577 68.868 0.033 0.000 0.864 909 T HN 2.368 nan 8.240 nan 0.000 0.444 910 V N -1.021 118.906 119.914 0.021 0.000 2.925 910 V HA 0.780 4.900 4.120 -0.000 0.000 0.311 910 V C 1.506 177.435 176.094 -0.276 0.000 1.104 910 V CA -0.214 61.994 62.300 -0.153 0.000 0.954 910 V CB 1.362 33.114 31.823 -0.117 0.000 1.022 910 V HN 0.655 nan 8.190 nan 0.000 0.427 911 L N 2.392 123.222 121.223 -0.654 0.000 2.240 911 L HA 0.606 4.946 4.340 -0.000 0.000 0.211 911 L C 1.571 178.277 176.870 -0.273 0.000 1.106 911 L CA 1.924 56.384 54.840 -0.633 0.000 0.793 911 L CB -1.666 39.686 42.059 -1.178 0.000 0.927 911 L HN 1.917 nan 8.230 nan 0.000 0.446 912 F N 0.118 119.925 119.950 -0.238 0.000 2.403 912 F HA 0.691 5.218 4.527 -0.000 0.000 0.320 912 F C 0.843 176.601 175.800 -0.069 0.000 1.176 912 F CA -0.541 57.383 58.000 -0.126 0.000 1.206 912 F CB -0.261 38.673 39.000 -0.110 0.000 1.235 912 F HN 0.500 nan 8.300 nan 0.000 0.565 913 K N 1.745 122.123 120.400 -0.037 0.000 2.292 913 K HA 0.756 5.076 4.320 -0.000 0.000 0.270 913 K C -0.574 176.021 176.600 -0.008 0.000 1.062 913 K CA 0.115 56.394 56.287 -0.014 0.000 0.916 913 K CB 0.089 32.587 32.500 -0.002 0.000 1.166 913 K HN 2.457 nan 8.250 nan 0.000 0.458 914 L N 0.995 122.215 121.223 -0.005 0.000 2.410 914 L HA 0.651 4.991 4.340 -0.000 0.000 0.273 914 L C 0.643 177.525 176.870 0.020 0.000 1.144 914 L CA 0.114 54.956 54.840 0.005 0.000 0.863 914 L CB -1.018 41.044 42.059 0.004 0.000 1.140 914 L HN 1.254 nan 8.230 nan 0.000 0.463 915 H N 2.161 121.244 119.070 0.022 0.000 2.690 915 H HA 0.742 5.298 4.556 -0.000 0.000 0.280 915 H C -0.261 175.092 175.328 0.041 0.000 1.138 915 H CA -0.232 55.833 56.048 0.029 0.000 1.241 915 H CB 0.112 29.884 29.762 0.018 0.000 1.394 915 H HN 1.993 nan 8.280 nan 0.000 0.489 916 F N 0.965 120.952 119.950 0.062 0.000 2.403 916 F HA 0.987 5.514 4.527 -0.000 0.000 0.326 916 F C 0.757 176.599 175.800 0.070 0.000 1.081 916 F CA -0.461 57.590 58.000 0.086 0.000 1.041 916 F CB 0.901 39.986 39.000 0.142 0.000 1.234 916 F HN 1.159 nan 8.300 nan 0.000 0.503 917 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 62.120 62.100 0.033 0.000 1.349 917 T CB 0.000 68.877 68.868 0.015 0.000 0.612 917 T HN 0.000 nan 8.240 nan 0.000 0.658