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 1sqv_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.079 176.094 -0.026 0.000 1.182 17 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 17 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 18 P HA 0.592 nan 4.420 nan 0.000 0.276 18 P C -2.581 174.715 177.300 -0.007 0.000 1.261 18 P CA -1.019 62.071 63.100 -0.017 0.000 0.800 18 P CB -0.149 31.541 31.700 -0.016 0.000 1.066 19 P HA -0.078 nan 4.420 nan 0.000 0.253 19 P C -0.084 177.266 177.300 0.084 0.000 1.159 19 P CA 0.496 63.632 63.100 0.060 0.000 0.779 19 P CB -0.444 31.310 31.700 0.089 0.000 0.745 20 H N 4.355 123.436 119.070 0.018 0.000 3.237 20 H HA -0.041 4.514 4.556 -0.000 0.000 0.263 20 H C -1.396 173.956 175.328 0.040 0.000 0.854 20 H CA -0.814 55.248 56.048 0.022 0.000 1.416 20 H CB -0.142 29.631 29.762 0.018 0.000 1.432 20 H HN 0.341 nan 8.280 nan 0.000 0.529 21 P HA 0.035 nan 4.420 nan 0.000 0.275 21 P C -0.441 176.915 177.300 0.093 0.000 1.228 21 P CA -0.531 62.635 63.100 0.111 0.000 0.786 21 P CB 0.801 32.533 31.700 0.053 0.000 0.927 22 Q N 1.305 121.138 119.800 0.054 0.000 2.454 22 Q HA 0.155 4.495 4.340 -0.000 0.000 0.247 22 Q C -0.328 175.664 176.000 -0.014 0.000 1.028 22 Q CA 0.588 56.395 55.803 0.007 0.000 0.910 22 Q CB 0.030 28.732 28.738 -0.060 0.000 1.276 22 Q HN 0.351 nan 8.270 nan 0.000 0.489 23 D N 0.592 120.984 120.400 -0.014 0.000 2.312 23 D HA 0.207 4.847 4.640 -0.000 0.000 0.248 23 D C -0.488 175.783 176.300 -0.048 0.000 1.086 23 D CA -0.528 53.465 54.000 -0.013 0.000 0.948 23 D CB 0.589 41.392 40.800 0.006 0.000 1.162 23 D HN 0.445 nan 8.370 nan 0.000 0.446 24 L N 1.002 122.189 121.223 -0.060 0.000 2.485 24 L HA 0.074 4.414 4.340 -0.000 0.000 0.275 24 L C 0.043 176.856 176.870 -0.095 0.000 1.207 24 L CA 0.515 55.291 54.840 -0.106 0.000 0.855 24 L CB 0.275 42.157 42.059 -0.295 0.000 1.114 24 L HN 0.222 nan 8.230 nan 0.000 0.485 25 E N 5.062 125.171 120.200 -0.152 0.000 2.210 25 E HA 0.307 4.656 4.350 -0.000 0.000 0.266 25 E C -1.605 174.813 176.600 -0.302 0.000 0.883 25 E CA -0.492 55.708 56.400 -0.332 0.000 0.761 25 E CB 2.391 31.693 29.700 -0.664 0.000 1.156 25 E HN 0.452 nan 8.360 nan 0.000 0.412 26 F N 1.462 121.264 119.950 -0.247 0.000 2.539 26 F HA 0.370 4.897 4.527 -0.000 0.000 0.318 26 F C -1.108 174.745 175.800 0.087 0.000 1.135 26 F CA -0.219 57.781 58.000 -0.001 0.000 0.915 26 F CB 2.025 41.034 39.000 0.014 0.000 1.176 26 F HN 0.166 nan 8.300 nan 0.000 0.440 27 T N 6.296 120.669 114.554 -0.303 0.000 2.928 27 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 27 T C -0.756 173.790 174.700 -0.257 0.000 1.000 27 T CA -0.698 61.344 62.100 -0.098 0.000 0.989 27 T CB 1.235 70.195 68.868 0.154 0.000 1.005 27 T HN 0.491 nan 8.240 nan 0.000 0.442 28 R N 3.292 123.734 120.500 -0.095 0.000 2.198 28 R HA 0.444 4.784 4.340 -0.000 0.000 0.339 28 R C -0.142 176.139 176.300 -0.032 0.000 1.020 28 R CA -0.588 55.476 56.100 -0.061 0.000 0.864 28 R CB 0.883 31.211 30.300 0.047 0.000 1.105 28 R HN 0.499 nan 8.270 nan 0.000 0.463 29 L N 4.749 125.942 121.223 -0.052 0.000 2.452 29 L HA 0.154 4.494 4.340 -0.000 0.000 0.267 29 L C -1.245 175.615 176.870 -0.016 0.000 1.188 29 L CA -1.721 53.099 54.840 -0.034 0.000 0.821 29 L CB 0.523 42.554 42.059 -0.047 0.000 1.102 29 L HN 0.286 nan 8.230 nan 0.000 0.470 30 P HA -0.126 nan 4.420 nan 0.000 0.220 30 P C 0.708 178.005 177.300 -0.006 0.000 1.148 30 P CA 0.918 64.015 63.100 -0.004 0.000 0.803 30 P CB -0.036 31.661 31.700 -0.005 0.000 0.782 31 N N -0.818 117.874 118.700 -0.013 0.000 2.571 31 N HA 0.000 4.740 4.740 -0.000 0.000 0.189 31 N C 1.316 176.821 175.510 -0.009 0.000 1.154 31 N CA 1.152 54.194 53.050 -0.013 0.000 0.907 31 N CB -1.188 37.288 38.487 -0.018 0.000 0.977 31 N HN 0.208 nan 8.380 nan 0.000 0.449 32 G N -0.671 108.125 108.800 -0.007 0.000 2.195 32 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 32 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 32 G C -0.165 174.730 174.900 -0.008 0.000 0.984 32 G CA 0.185 45.285 45.100 0.001 0.000 0.633 32 G HN 0.487 nan 8.290 nan 0.000 0.525 33 L N 1.183 122.393 121.223 -0.022 0.000 2.483 33 L HA 0.544 4.883 4.340 -0.000 0.000 0.276 33 L C 0.418 177.243 176.870 -0.075 0.000 1.213 33 L CA 0.204 55.021 54.840 -0.037 0.000 0.843 33 L CB 1.124 43.160 42.059 -0.037 0.000 1.107 33 L HN 0.099 nan 8.230 nan 0.000 0.487 34 V N 5.672 125.524 119.914 -0.104 0.000 2.540 34 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 34 V C -0.399 175.545 176.094 -0.249 0.000 1.035 34 V CA -0.649 61.514 62.300 -0.228 0.000 0.873 34 V CB 1.804 33.521 31.823 -0.177 0.000 0.992 34 V HN 0.472 nan 8.190 nan 0.000 0.428 35 I N 3.821 124.179 120.570 -0.353 0.000 2.436 35 I HA 0.819 4.989 4.170 -0.000 0.000 0.289 35 I C 0.055 176.059 176.117 -0.188 0.000 1.010 35 I CA -0.642 60.518 61.300 -0.232 0.000 1.098 35 I CB 1.482 39.319 38.000 -0.272 0.000 1.266 35 I HN 0.665 nan 8.210 nan 0.000 0.434 36 A N 4.716 127.505 122.820 -0.052 0.000 2.393 36 A HA 0.835 5.155 4.320 -0.000 0.000 0.306 36 A C -0.231 177.433 177.584 0.133 0.000 1.050 36 A CA -0.439 51.656 52.037 0.097 0.000 0.724 36 A CB 1.684 20.770 19.000 0.142 0.000 1.248 36 A HN 0.808 nan 8.150 nan 0.000 0.424 37 S N 1.788 117.606 115.700 0.196 0.000 2.599 37 S HA 0.856 5.326 4.470 -0.000 0.000 0.294 37 S C -0.975 173.665 174.600 0.066 0.000 1.094 37 S CA -0.701 57.583 58.200 0.140 0.000 0.931 37 S CB 1.550 64.862 63.200 0.186 0.000 1.093 37 S HN 0.930 nan 8.310 nan 0.000 0.488 38 L N 1.253 122.512 121.223 0.060 0.000 2.409 38 L HA 0.541 4.881 4.340 -0.000 0.000 0.272 38 L C -0.979 175.842 176.870 -0.081 0.000 0.980 38 L CA -0.459 54.375 54.840 -0.011 0.000 0.826 38 L CB 2.062 44.126 42.059 0.008 0.000 1.268 38 L HN 0.924 nan 8.230 nan 0.000 0.407 39 E N 4.595 124.691 120.200 -0.173 0.000 1.892 39 E HA 0.092 4.442 4.350 -0.000 0.000 0.271 39 E C -0.197 176.153 176.600 -0.416 0.000 1.146 39 E CA -0.284 55.905 56.400 -0.353 0.000 1.096 39 E CB -0.082 29.320 29.700 -0.496 0.000 1.155 39 E HN 0.529 nan 8.360 nan 0.000 0.458 40 N N 1.610 120.161 118.700 -0.248 0.000 2.412 40 N HA -0.136 4.603 4.740 -0.000 0.000 0.254 40 N C -0.351 175.055 175.510 -0.174 0.000 1.232 40 N CA -0.141 52.808 53.050 -0.169 0.000 0.880 40 N CB 0.464 38.882 38.487 -0.115 0.000 1.076 40 N HN 0.306 nan 8.380 nan 0.000 0.458 41 Y N 0.685 120.975 120.300 -0.016 0.000 2.740 41 Y HA 0.203 4.753 4.550 -0.000 0.000 0.356 41 Y C 1.124 177.022 175.900 -0.004 0.000 1.101 41 Y CA -0.457 57.640 58.100 -0.006 0.000 1.477 41 Y CB -0.568 37.890 38.460 -0.003 0.000 1.296 41 Y HN 0.657 nan 8.280 nan 0.000 0.507 42 A N 0.705 123.573 122.820 0.081 0.000 2.445 42 A HA 0.194 4.514 4.320 -0.000 0.000 0.242 42 A C -1.269 176.347 177.584 0.053 0.000 1.075 42 A CA -1.148 50.919 52.037 0.051 0.000 0.777 42 A CB 0.293 19.304 19.000 0.018 0.000 1.013 42 A HN 0.241 nan 8.150 nan 0.000 0.493 43 P HA 0.007 nan 4.420 nan 0.000 0.220 43 P C 0.369 177.688 177.300 0.031 0.000 1.148 43 P CA 1.713 64.835 63.100 0.037 0.000 0.803 43 P CB 0.134 31.851 31.700 0.028 0.000 0.782 44 A N -0.947 121.889 122.820 0.028 0.000 2.320 44 A HA 0.634 4.954 4.320 -0.000 0.000 0.334 44 A C -0.096 177.505 177.584 0.028 0.000 1.147 44 A CA -0.267 51.786 52.037 0.027 0.000 0.820 44 A CB 0.880 19.895 19.000 0.025 0.000 1.218 44 A HN -0.059 nan 8.150 nan 0.000 0.482 45 S N 0.466 116.184 115.700 0.030 0.000 2.503 45 S HA 0.608 5.078 4.470 -0.000 0.000 0.301 45 S C -0.419 174.206 174.600 0.042 0.000 1.087 45 S CA -0.683 57.537 58.200 0.033 0.000 1.042 45 S CB 1.354 64.571 63.200 0.029 0.000 1.043 45 S HN 0.631 nan 8.310 nan 0.000 0.489 46 R N 1.889 122.422 120.500 0.055 0.000 2.494 46 R HA 0.579 4.919 4.340 -0.000 0.000 0.305 46 R C -1.104 175.243 176.300 0.077 0.000 0.959 46 R CA -0.660 55.481 56.100 0.068 0.000 0.864 46 R CB 1.180 31.534 30.300 0.091 0.000 1.159 46 R HN 0.470 nan 8.270 nan 0.000 0.446 47 I N 1.710 122.320 120.570 0.066 0.000 2.447 47 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 47 I C 0.343 176.495 176.117 0.059 0.000 1.023 47 I CA -0.600 60.742 61.300 0.071 0.000 1.083 47 I CB 1.674 39.701 38.000 0.045 0.000 1.245 47 I HN 0.675 nan 8.210 nan 0.000 0.434 48 G N 5.845 114.711 108.800 0.111 0.000 2.416 48 G HA2 0.572 4.532 3.960 -0.000 0.000 0.324 48 G HA3 0.572 4.532 3.960 -0.000 0.000 0.324 48 G C -1.366 173.552 174.900 0.031 0.000 1.194 48 G CA -0.442 44.639 45.100 -0.033 0.000 0.922 48 G HN 0.407 nan 8.290 nan 0.000 0.467 49 L N 2.699 123.863 121.223 -0.098 0.000 2.259 49 L HA 0.614 4.954 4.340 -0.000 0.000 0.288 49 L C -1.222 175.577 176.870 -0.119 0.000 1.051 49 L CA -0.928 53.897 54.840 -0.025 0.000 0.824 49 L CB 0.131 42.160 42.059 -0.050 0.000 1.206 49 L HN 0.342 nan 8.230 nan 0.000 0.429 50 F N 6.282 126.224 119.950 -0.013 0.000 2.361 50 F HA 0.482 5.009 4.527 -0.000 0.000 0.364 50 F C 0.135 175.898 175.800 -0.061 0.000 1.120 50 F CA -0.337 57.653 58.000 -0.017 0.000 1.102 50 F CB 0.694 39.693 39.000 -0.001 0.000 1.183 50 F HN 0.256 nan 8.300 nan 0.000 0.476 51 I N 3.187 123.762 120.570 0.008 0.000 2.377 51 I HA 0.257 4.427 4.170 -0.000 0.000 0.293 51 I C 0.349 176.447 176.117 -0.031 0.000 0.987 51 I CA -1.039 60.196 61.300 -0.108 0.000 1.185 51 I CB 1.486 39.215 38.000 -0.452 0.000 1.341 51 I HN 0.383 nan 8.210 nan 0.000 0.455 52 K N 5.008 125.394 120.400 -0.022 0.000 2.024 52 K HA 0.126 4.446 4.320 -0.000 0.000 0.210 52 K C 0.410 176.888 176.600 -0.204 0.000 1.181 52 K CA 0.095 56.356 56.287 -0.043 0.000 1.234 52 K CB -0.108 32.350 32.500 -0.069 0.000 1.179 52 K HN 0.788 nan 8.250 nan 0.000 0.230 53 A N 1.436 124.236 122.820 -0.033 0.000 2.543 53 A HA 0.241 4.561 4.320 -0.000 0.000 0.279 53 A C 0.633 178.403 177.584 0.310 0.000 0.917 53 A CA -0.373 51.679 52.037 0.024 0.000 1.036 53 A CB 0.542 19.673 19.000 0.217 0.000 1.227 53 A HN 0.564 nan 8.150 nan 0.000 0.503 54 G N -0.061 108.949 108.800 0.351 0.000 2.631 54 G HA2 0.316 4.276 3.960 -0.000 0.000 0.271 54 G HA3 0.316 4.276 3.960 -0.000 0.000 0.271 54 G C 1.252 176.292 174.900 0.234 0.000 1.302 54 G CA 0.515 45.753 45.100 0.231 0.000 1.002 54 G HN 0.902 nan 8.290 nan 0.000 0.519 55 S N -1.038 114.676 115.700 0.023 0.000 2.481 55 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 55 S C 1.998 176.544 174.600 -0.090 0.000 0.996 55 S CA 1.074 59.253 58.200 -0.035 0.000 0.942 55 S CB -0.239 62.878 63.200 -0.139 0.000 0.768 55 S HN 0.779 nan 8.310 nan 0.000 0.520 56 R N -0.304 120.050 120.500 -0.244 0.000 2.328 56 R HA 0.006 4.346 4.340 -0.000 0.000 0.207 56 R C 0.630 176.673 176.300 -0.428 0.000 1.056 56 R CA 0.954 56.806 56.100 -0.413 0.000 1.016 56 R CB -0.656 29.277 30.300 -0.612 0.000 0.872 56 R HN 0.519 nan 8.270 nan 0.000 0.471 57 Y N 1.439 121.717 120.300 -0.036 0.000 2.485 57 Y HA 0.285 4.835 4.550 -0.000 0.000 0.260 57 Y C -0.030 175.907 175.900 0.062 0.000 1.173 57 Y CA -0.571 57.490 58.100 -0.066 0.000 1.252 57 Y CB 0.308 38.538 38.460 -0.383 0.000 1.123 57 Y HN 0.112 nan 8.280 nan 0.000 0.524 58 E N 1.252 121.577 120.200 0.208 0.000 2.349 58 E HA 0.212 4.562 4.350 -0.000 0.000 0.265 58 E C -0.427 176.245 176.600 0.119 0.000 1.064 58 E CA -0.528 55.992 56.400 0.201 0.000 0.886 58 E CB 0.745 30.490 29.700 0.075 0.000 1.036 58 E HN 0.387 nan 8.360 nan 0.000 0.413 59 N N -1.316 117.457 118.700 0.121 0.000 2.531 59 N HA 0.086 4.826 4.740 -0.000 0.000 0.290 59 N C 0.370 175.924 175.510 0.074 0.000 1.257 59 N CA -0.646 52.455 53.050 0.085 0.000 0.863 59 N CB 1.135 39.678 38.487 0.092 0.000 1.320 59 N HN 0.309 nan 8.380 nan 0.000 0.538 60 S N -0.871 114.869 115.700 0.066 0.000 2.595 60 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 60 S C 0.298 174.954 174.600 0.093 0.000 0.974 60 S CA 0.440 58.686 58.200 0.077 0.000 0.942 60 S CB -0.781 62.455 63.200 0.060 0.000 0.766 60 S HN 0.578 nan 8.310 nan 0.000 0.536 61 N N 2.634 121.382 118.700 0.079 0.000 2.280 61 N HA 0.099 4.839 4.740 -0.000 0.000 0.192 61 N C 0.394 175.940 175.510 0.060 0.000 1.109 61 N CA 0.429 53.524 53.050 0.076 0.000 0.855 61 N CB 0.152 38.676 38.487 0.062 0.000 0.974 61 N HN 0.811 nan 8.380 nan 0.000 0.482 62 N N 0.053 118.783 118.700 0.050 0.000 2.471 62 N HA 0.026 4.766 4.740 -0.000 0.000 0.270 62 N C -0.859 174.634 175.510 -0.028 0.000 1.490 62 N CA -0.173 52.883 53.050 0.010 0.000 0.850 62 N CB -0.526 37.987 38.487 0.044 0.000 1.411 62 N HN -0.051 nan 8.380 nan 0.000 0.488 63 L N 0.655 121.866 121.223 -0.020 0.000 2.540 63 L HA 0.311 4.651 4.340 -0.000 0.000 0.276 63 L C 1.594 178.390 176.870 -0.122 0.000 1.212 63 L CA 1.495 56.306 54.840 -0.050 0.000 0.893 63 L CB 0.172 42.231 42.059 -0.000 0.000 1.138 63 L HN 0.528 nan 8.230 nan 0.000 0.491 64 G N 1.315 110.044 108.800 -0.117 0.000 2.213 64 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.236 64 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.236 64 G C 0.849 175.644 174.900 -0.174 0.000 0.991 64 G CA 0.337 45.370 45.100 -0.112 0.000 0.629 64 G HN 0.597 nan 8.290 nan 0.000 0.517 65 T N 1.505 115.905 114.554 -0.257 0.000 2.881 65 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 65 T C 2.592 176.998 174.700 -0.490 0.000 1.068 65 T CA 2.378 64.257 62.100 -0.368 0.000 1.131 65 T CB -0.314 68.324 68.868 -0.383 0.000 0.871 65 T HN 1.180 nan 8.240 nan 0.000 0.479 66 S N 0.205 115.589 115.700 -0.527 0.000 2.528 66 S HA 0.010 4.480 4.470 -0.000 0.000 0.219 66 S C 1.696 176.213 174.600 -0.138 0.000 0.985 66 S CA 0.157 58.090 58.200 -0.445 0.000 0.914 66 S CB -0.518 62.450 63.200 -0.385 0.000 0.776 66 S HN 0.771 nan 8.310 nan 0.000 0.526 67 H N 0.186 119.119 119.070 -0.227 0.000 2.418 67 H HA 0.188 4.744 4.556 -0.000 0.000 0.300 67 H C 2.056 177.311 175.328 -0.121 0.000 1.041 67 H CA 0.602 56.556 56.048 -0.158 0.000 1.364 67 H CB -0.076 29.603 29.762 -0.138 0.000 1.439 67 H HN 0.324 nan 8.280 nan 0.000 0.540 68 L N 1.629 122.697 121.223 -0.257 0.000 2.012 68 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 68 L C 2.427 179.200 176.870 -0.162 0.000 1.073 68 L CA 1.288 55.962 54.840 -0.278 0.000 0.748 68 L CB -1.120 40.776 42.059 -0.271 0.000 0.891 68 L HN 0.393 nan 8.230 nan 0.000 0.431 69 L N -0.712 120.424 121.223 -0.146 0.000 2.079 69 L HA -0.279 4.060 4.340 -0.000 0.000 0.210 69 L C 2.772 179.692 176.870 0.084 0.000 1.081 69 L CA 1.675 56.503 54.840 -0.020 0.000 0.752 69 L CB -0.304 41.742 42.059 -0.023 0.000 0.896 69 L HN 0.369 nan 8.230 nan 0.000 0.433 70 R N -0.130 120.386 120.500 0.027 0.000 2.120 70 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 70 R C 2.088 178.389 176.300 0.002 0.000 1.123 70 R CA 1.254 57.355 56.100 0.001 0.000 0.975 70 R CB -0.065 30.254 30.300 0.031 0.000 0.866 70 R HN 0.405 nan 8.270 nan 0.000 0.446 71 L N -0.698 120.523 121.223 -0.004 0.000 2.509 71 L HA 0.191 4.531 4.340 -0.000 0.000 0.222 71 L C 1.652 178.533 176.870 0.018 0.000 1.123 71 L CA 0.338 55.170 54.840 -0.013 0.000 0.856 71 L CB 0.024 42.038 42.059 -0.074 0.000 0.985 71 L HN 0.152 nan 8.230 nan 0.000 0.456 72 A N -0.018 122.842 122.820 0.067 0.000 2.411 72 A HA 0.077 4.397 4.320 -0.000 0.000 0.251 72 A C 1.942 179.616 177.584 0.150 0.000 1.317 72 A CA 0.496 52.605 52.037 0.119 0.000 0.904 72 A CB -0.341 18.777 19.000 0.197 0.000 0.993 72 A HN 0.368 nan 8.150 nan 0.000 0.504 73 S N -0.371 115.411 115.700 0.136 0.000 2.603 73 S HA -0.005 4.465 4.470 -0.000 0.000 0.220 73 S C 1.136 175.790 174.600 0.089 0.000 0.967 73 S CA 0.853 59.164 58.200 0.186 0.000 0.920 73 S CB -0.403 62.922 63.200 0.209 0.000 0.773 73 S HN 0.807 nan 8.310 nan 0.000 0.529 74 S N 0.238 115.961 115.700 0.039 0.000 2.819 74 S HA 0.438 4.908 4.470 -0.000 0.000 0.249 74 S C 0.232 174.833 174.600 0.002 0.000 1.030 74 S CA -0.729 57.466 58.200 -0.008 0.000 1.052 74 S CB -0.392 62.783 63.200 -0.042 0.000 1.017 74 S HN 0.406 nan 8.310 nan 0.000 0.576 75 L N 3.207 124.441 121.223 0.019 0.000 2.482 75 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 75 L C 0.908 177.768 176.870 -0.017 0.000 1.228 75 L CA -0.155 54.691 54.840 0.011 0.000 0.827 75 L CB 0.046 42.119 42.059 0.023 0.000 1.099 75 L HN 0.337 nan 8.230 nan 0.000 0.494 76 T N -1.174 113.376 114.554 -0.007 0.000 2.908 76 T HA 0.163 4.513 4.350 -0.000 0.000 0.301 76 T C 0.243 174.904 174.700 -0.064 0.000 1.019 76 T CA -0.593 61.505 62.100 -0.002 0.000 1.152 76 T CB 0.394 69.283 68.868 0.036 0.000 0.966 76 T HN 0.792 nan 8.240 nan 0.000 0.540 77 T N 0.174 114.706 114.554 -0.037 0.000 2.937 77 T HA 0.452 4.802 4.350 -0.000 0.000 0.283 77 T C -0.216 174.467 174.700 -0.028 0.000 1.012 77 T CA -1.350 60.710 62.100 -0.067 0.000 0.997 77 T CB 0.818 69.659 68.868 -0.046 0.000 1.136 77 T HN 0.625 nan 8.240 nan 0.000 0.551 78 K N 1.096 121.474 120.400 -0.037 0.000 2.395 78 K HA 0.359 4.679 4.320 -0.000 0.000 0.283 78 K C 1.243 177.842 176.600 -0.002 0.000 1.068 78 K CA 0.664 56.943 56.287 -0.014 0.000 1.039 78 K CB -0.145 32.344 32.500 -0.017 0.000 0.924 78 K HN 1.041 nan 8.250 nan 0.000 0.468 79 G N 2.141 110.948 108.800 0.011 0.000 2.379 79 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.297 79 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.297 79 G C -0.099 174.811 174.900 0.017 0.000 1.004 79 G CA 0.489 45.597 45.100 0.013 0.000 0.921 79 G HN 0.762 nan 8.290 nan 0.000 0.511 80 A N -0.216 122.636 122.820 0.052 0.000 2.599 80 A HA 0.807 5.127 4.320 -0.000 0.000 0.281 80 A C 0.339 177.997 177.584 0.125 0.000 1.137 80 A CA 0.656 52.770 52.037 0.127 0.000 0.767 80 A CB 0.474 19.618 19.000 0.239 0.000 1.266 80 A HN 1.969 nan 8.150 nan 0.000 0.420 81 S N 1.740 117.517 115.700 0.129 0.000 2.560 81 S HA 0.154 4.624 4.470 -0.000 0.000 0.276 81 S C 1.459 176.136 174.600 0.129 0.000 1.350 81 S CA 0.610 58.887 58.200 0.129 0.000 1.024 81 S CB 1.012 64.306 63.200 0.156 0.000 0.864 81 S HN 1.448 nan 8.310 nan 0.000 0.536 82 S N 1.430 117.200 115.700 0.117 0.000 2.359 82 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 82 S C 1.454 176.104 174.600 0.084 0.000 1.039 82 S CA 1.693 59.944 58.200 0.084 0.000 1.042 82 S CB -0.982 62.277 63.200 0.099 0.000 0.915 82 S HN 0.756 nan 8.310 nan 0.000 0.439 83 F N 2.195 122.154 119.950 0.016 0.000 2.091 83 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 83 F C 2.342 178.142 175.800 -0.000 0.000 1.103 83 F CA 2.297 60.303 58.000 0.009 0.000 1.228 83 F CB -0.380 38.635 39.000 0.024 0.000 0.984 83 F HN 0.183 nan 8.300 nan 0.000 0.477 84 K N 0.485 120.969 120.400 0.139 0.000 2.097 84 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 84 K C 2.115 178.647 176.600 -0.113 0.000 1.050 84 K CA 1.745 58.090 56.287 0.096 0.000 0.938 84 K CB -0.292 32.376 32.500 0.279 0.000 0.718 84 K HN 0.391 nan 8.250 nan 0.000 0.442 85 I N 0.918 121.357 120.570 -0.219 0.000 2.127 85 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 85 I C 2.183 177.906 176.117 -0.656 0.000 1.075 85 I CA 1.720 62.605 61.300 -0.693 0.000 1.334 85 I CB -0.599 37.184 38.000 -0.361 0.000 1.040 85 I HN 0.237 nan 8.210 nan 0.000 0.405 86 T N 0.623 114.940 114.554 -0.394 0.000 2.622 86 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 86 T C 2.025 176.510 174.700 -0.360 0.000 1.047 86 T CA 1.155 63.054 62.100 -0.336 0.000 1.159 86 T CB -0.277 68.423 68.868 -0.280 0.000 0.863 86 T HN 0.199 nan 8.240 nan 0.000 0.422 87 R N 0.960 121.186 120.500 -0.457 0.000 2.115 87 R HA 0.112 4.452 4.340 -0.000 0.000 0.226 87 R C 2.867 179.048 176.300 -0.198 0.000 1.100 87 R CA 1.217 57.086 56.100 -0.386 0.000 0.980 87 R CB -1.354 28.576 30.300 -0.616 0.000 0.875 87 R HN 0.540 nan 8.270 nan 0.000 0.445 88 G N 1.182 109.884 108.800 -0.165 0.000 2.402 88 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 88 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 88 G C 1.601 176.531 174.900 0.051 0.000 1.162 88 G CA 0.362 45.517 45.100 0.092 0.000 0.777 88 G HN 0.199 nan 8.290 nan 0.000 0.539 89 I N 0.199 120.640 120.570 -0.215 0.000 2.233 89 I HA -0.062 4.108 4.170 -0.000 0.000 0.243 89 I C 2.692 178.759 176.117 -0.084 0.000 1.093 89 I CA 0.935 62.148 61.300 -0.146 0.000 1.380 89 I CB -0.317 37.508 38.000 -0.293 0.000 1.067 89 I HN 0.203 nan 8.210 nan 0.000 0.413 90 E N 1.148 121.274 120.200 -0.123 0.000 2.153 90 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 90 E C 2.311 178.880 176.600 -0.052 0.000 0.988 90 E CA 1.168 57.514 56.400 -0.089 0.000 0.811 90 E CB -0.102 29.530 29.700 -0.114 0.000 0.746 90 E HN 0.483 nan 8.360 nan 0.000 0.466 91 A N 1.094 123.887 122.820 -0.043 0.000 2.024 91 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 91 A C 2.266 179.853 177.584 0.006 0.000 1.164 91 A CA 1.556 53.587 52.037 -0.011 0.000 0.643 91 A CB -0.370 18.634 19.000 0.006 0.000 0.806 91 A HN 0.236 nan 8.150 nan 0.000 0.451 92 V N -4.225 115.697 119.914 0.013 0.000 3.444 92 V HA 0.563 4.682 4.120 -0.000 0.000 0.308 92 V C 1.171 177.271 176.094 0.010 0.000 1.371 92 V CA 0.483 62.795 62.300 0.020 0.000 1.141 92 V CB -0.862 30.984 31.823 0.039 0.000 1.037 92 V HN 1.407 nan 8.190 nan 0.000 0.433 93 G N 0.150 108.948 108.800 -0.003 0.000 2.203 93 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.263 93 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.263 93 G C 0.645 175.541 174.900 -0.006 0.000 1.012 93 G CA 0.287 45.383 45.100 -0.007 0.000 0.749 93 G HN 1.462 nan 8.290 nan 0.000 0.512 94 G N -0.682 108.114 108.800 -0.007 0.000 2.594 94 G HA2 0.512 4.472 3.960 -0.000 0.000 0.243 94 G HA3 0.512 4.472 3.960 -0.000 0.000 0.243 94 G C 0.046 174.932 174.900 -0.023 0.000 1.229 94 G CA -0.061 45.037 45.100 -0.004 0.000 0.843 94 G HN 0.525 nan 8.290 nan 0.000 0.578 95 K N -0.444 119.947 120.400 -0.015 0.000 2.259 95 K HA 0.595 4.914 4.320 -0.000 0.000 0.249 95 K C -1.043 175.541 176.600 -0.026 0.000 0.942 95 K CA -0.722 55.549 56.287 -0.027 0.000 0.816 95 K CB 2.433 34.923 32.500 -0.018 0.000 1.155 95 K HN 0.312 nan 8.250 nan 0.000 0.428 96 L N 1.166 122.364 121.223 -0.041 0.000 2.409 96 L HA 0.602 4.942 4.340 -0.000 0.000 0.272 96 L C -1.297 175.553 176.870 -0.034 0.000 0.980 96 L CA 0.148 54.972 54.840 -0.028 0.000 0.826 96 L CB 1.825 43.862 42.059 -0.037 0.000 1.268 96 L HN 0.800 nan 8.230 nan 0.000 0.407 97 S N 3.536 119.212 115.700 -0.040 0.000 2.556 97 S HA 0.804 5.274 4.470 -0.000 0.000 0.271 97 S C -1.355 173.155 174.600 -0.150 0.000 1.135 97 S CA -0.420 57.735 58.200 -0.076 0.000 0.858 97 S CB 1.715 64.879 63.200 -0.060 0.000 1.114 97 S HN 1.341 nan 8.310 nan 0.000 0.468 98 V N 1.406 121.191 119.914 -0.215 0.000 2.482 98 V HA 0.824 4.944 4.120 -0.000 0.000 0.295 98 V C -0.590 175.334 176.094 -0.284 0.000 1.026 98 V CA 0.379 62.430 62.300 -0.415 0.000 0.856 98 V CB 1.265 32.624 31.823 -0.775 0.000 1.001 98 V HN 1.331 nan 8.190 nan 0.000 0.424 99 T N 4.477 118.874 114.554 -0.261 0.000 2.791 99 T HA 0.623 4.973 4.350 -0.000 0.000 0.288 99 T C -0.199 174.422 174.700 -0.133 0.000 0.999 99 T CA -0.232 61.775 62.100 -0.155 0.000 0.952 99 T CB 1.033 69.847 68.868 -0.090 0.000 0.938 99 T HN 0.857 nan 8.240 nan 0.000 0.444 100 S N 3.700 119.332 115.700 -0.114 0.000 2.508 100 S HA 0.639 5.109 4.470 -0.000 0.000 0.284 100 S C 0.703 175.259 174.600 -0.073 0.000 1.192 100 S CA -0.784 57.365 58.200 -0.086 0.000 1.070 100 S CB 1.438 64.574 63.200 -0.108 0.000 1.004 100 S HN 1.030 nan 8.310 nan 0.000 0.493 101 T N 0.054 114.590 114.554 -0.030 0.000 2.876 101 T HA 0.439 4.789 4.350 -0.000 0.000 0.277 101 T C 0.901 175.560 174.700 -0.067 0.000 0.997 101 T CA -0.842 61.241 62.100 -0.028 0.000 0.966 101 T CB 0.697 69.593 68.868 0.046 0.000 1.312 101 T HN 0.429 nan 8.240 nan 0.000 0.598 102 R N -0.191 120.242 120.500 -0.112 0.000 2.285 102 R HA 0.060 4.400 4.340 -0.000 0.000 0.213 102 R C 1.804 178.005 176.300 -0.165 0.000 1.068 102 R CA 1.129 57.096 56.100 -0.222 0.000 1.004 102 R CB 0.040 30.076 30.300 -0.439 0.000 0.873 102 R HN 0.683 nan 8.270 nan 0.000 0.467 103 E N -1.437 118.748 120.200 -0.025 0.000 2.399 103 E HA 0.100 4.450 4.350 -0.000 0.000 0.206 103 E C -0.281 176.442 176.600 0.205 0.000 0.812 103 E CA 0.185 56.634 56.400 0.082 0.000 1.138 103 E CB 0.671 30.432 29.700 0.101 0.000 1.140 103 E HN 0.307 nan 8.360 nan 0.000 0.536 104 N N 0.505 119.287 118.700 0.136 0.000 2.240 104 N HA 0.432 5.172 4.740 -0.000 0.000 0.302 104 N C -0.818 174.741 175.510 0.080 0.000 1.106 104 N CA -0.400 52.730 53.050 0.133 0.000 0.778 104 N CB 2.226 40.811 38.487 0.162 0.000 1.431 104 N HN -0.172 nan 8.380 nan 0.000 0.479 105 M N 1.190 120.819 119.600 0.049 0.000 2.537 105 M HA 0.656 5.135 4.480 -0.000 0.000 0.324 105 M C -0.836 175.417 176.300 -0.077 0.000 1.187 105 M CA -0.820 54.464 55.300 -0.027 0.000 0.993 105 M CB 1.938 34.548 32.600 0.017 0.000 1.666 105 M HN 0.617 nan 8.290 nan 0.000 0.461 106 A N 2.374 125.062 122.820 -0.220 0.000 2.651 106 A HA 0.564 4.884 4.320 -0.000 0.000 0.290 106 A C -1.894 175.435 177.584 -0.424 0.000 1.185 106 A CA -0.469 51.305 52.037 -0.439 0.000 0.746 106 A CB 0.321 19.044 19.000 -0.462 0.000 1.213 106 A HN 0.758 nan 8.150 nan 0.000 0.429 107 Y N 2.145 122.212 120.300 -0.388 0.000 2.535 107 Y HA 0.446 4.996 4.550 -0.000 0.000 0.349 107 Y C 1.231 176.973 175.900 -0.263 0.000 0.992 107 Y CA 0.641 58.602 58.100 -0.232 0.000 1.248 107 Y CB 1.343 39.715 38.460 -0.147 0.000 1.124 107 Y HN 0.642 nan 8.280 nan 0.000 0.520 108 T N 0.547 115.029 114.554 -0.121 0.000 2.863 108 T HA 0.771 5.121 4.350 -0.000 0.000 0.285 108 T C -1.238 173.449 174.700 -0.022 0.000 1.009 108 T CA -0.828 61.217 62.100 -0.092 0.000 0.989 108 T CB 1.661 70.457 68.868 -0.119 0.000 1.004 108 T HN 0.291 nan 8.240 nan 0.000 0.455 109 V N 3.121 123.038 119.914 0.005 0.000 2.656 109 V HA 0.709 4.829 4.120 -0.000 0.000 0.307 109 V C -0.922 175.188 176.094 0.027 0.000 1.051 109 V CA -0.660 61.653 62.300 0.023 0.000 0.893 109 V CB 1.714 33.563 31.823 0.043 0.000 0.999 109 V HN 1.129 nan 8.190 nan 0.000 0.426 110 E N 5.638 125.852 120.200 0.023 0.000 2.314 110 E HA 0.785 5.135 4.350 -0.000 0.000 0.272 110 E C -1.066 175.549 176.600 0.025 0.000 0.884 110 E CA -0.648 55.768 56.400 0.027 0.000 0.753 110 E CB 2.129 31.844 29.700 0.026 0.000 1.213 110 E HN 0.853 nan 8.360 nan 0.000 0.432 111 C N 0.175 119.492 119.300 0.028 0.000 3.253 111 C HA 0.562 5.022 4.460 -0.000 0.000 0.362 111 C C -0.574 174.431 174.990 0.026 0.000 1.487 111 C CA -1.170 57.864 59.018 0.027 0.000 1.179 111 C CB -0.245 27.515 27.740 0.034 0.000 1.660 111 C HN 0.863 nan 8.230 nan 0.000 0.438 112 L N 1.936 123.173 121.223 0.024 0.000 2.452 112 L HA 0.348 4.688 4.340 -0.000 0.000 0.267 112 L C 2.171 179.057 176.870 0.026 0.000 1.188 112 L CA -0.192 54.663 54.840 0.024 0.000 0.821 112 L CB 0.504 42.576 42.059 0.022 0.000 1.102 112 L HN 1.013 nan 8.230 nan 0.000 0.470 113 R N -0.086 120.431 120.500 0.028 0.000 2.115 113 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 113 R C 0.736 177.051 176.300 0.025 0.000 1.111 113 R CA 1.307 57.425 56.100 0.029 0.000 0.976 113 R CB -0.275 30.047 30.300 0.036 0.000 0.870 113 R HN 0.564 nan 8.270 nan 0.000 0.445 114 D N 0.962 121.376 120.400 0.024 0.000 2.384 114 D HA -0.111 4.529 4.640 -0.000 0.000 0.222 114 D C 0.413 176.722 176.300 0.015 0.000 0.976 114 D CA 0.970 54.981 54.000 0.020 0.000 0.915 114 D CB -0.053 40.758 40.800 0.019 0.000 0.896 114 D HN 0.377 nan 8.370 nan 0.000 0.523 115 D N -0.502 119.909 120.400 0.018 0.000 2.469 115 D HA -0.008 4.632 4.640 -0.000 0.000 0.215 115 D C 2.196 178.507 176.300 0.017 0.000 1.154 115 D CA 0.069 54.081 54.000 0.019 0.000 0.832 115 D CB 1.184 42.002 40.800 0.030 0.000 1.008 115 D HN 0.087 nan 8.370 nan 0.000 0.506 116 V N -0.866 119.056 119.914 0.013 0.000 2.453 116 V HA -0.253 3.867 4.120 -0.000 0.000 0.252 116 V C 1.690 177.776 176.094 -0.015 0.000 1.068 116 V CA 1.669 63.974 62.300 0.008 0.000 1.070 116 V CB -0.411 31.417 31.823 0.008 0.000 0.664 116 V HN -0.107 nan 8.190 nan 0.000 0.461 117 D N 0.480 120.864 120.400 -0.028 0.000 2.084 117 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 117 D C 1.956 178.193 176.300 -0.105 0.000 0.990 117 D CA 1.931 55.893 54.000 -0.063 0.000 0.826 117 D CB -0.357 40.410 40.800 -0.055 0.000 0.971 117 D HN 0.562 nan 8.370 nan 0.000 0.453 118 I N 0.418 120.935 120.570 -0.088 0.000 2.361 118 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 118 I C 2.082 178.141 176.117 -0.097 0.000 1.133 118 I CA 0.992 62.200 61.300 -0.154 0.000 1.413 118 I CB -0.057 37.879 38.000 -0.108 0.000 1.073 118 I HN -0.018 nan 8.210 nan 0.000 0.424 119 L N -1.076 120.179 121.223 0.054 0.000 2.095 119 L HA -0.154 4.186 4.340 -0.000 0.000 0.204 119 L C 2.478 179.398 176.870 0.084 0.000 1.080 119 L CA 1.271 56.206 54.840 0.159 0.000 0.759 119 L CB -0.438 41.695 42.059 0.123 0.000 0.914 119 L HN 0.311 nan 8.230 nan 0.000 0.439 120 M N 0.114 119.708 119.600 -0.010 0.000 2.108 120 M HA -0.270 4.210 4.480 -0.000 0.000 0.261 120 M C 2.110 178.337 176.300 -0.121 0.000 1.066 120 M CA 1.857 57.124 55.300 -0.055 0.000 1.107 120 M CB -0.223 32.330 32.600 -0.079 0.000 1.356 120 M HN 0.174 nan 8.290 nan 0.000 0.406 121 E N -0.871 119.207 120.200 -0.204 0.000 2.072 121 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 121 E C 1.752 178.223 176.600 -0.215 0.000 0.985 121 E CA 1.386 57.599 56.400 -0.311 0.000 0.801 121 E CB -0.202 29.250 29.700 -0.413 0.000 0.750 121 E HN 0.532 nan 8.360 nan 0.000 0.452 122 F N 0.915 120.808 119.950 -0.094 0.000 2.126 122 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 122 F C 2.300 178.060 175.800 -0.067 0.000 1.096 122 F CA 1.090 59.049 58.000 -0.068 0.000 1.255 122 F CB -0.804 38.168 39.000 -0.046 0.000 0.997 122 F HN 0.178 nan 8.300 nan 0.000 0.479 123 L N -0.341 120.958 121.223 0.127 0.000 2.083 123 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 123 L C 1.885 178.740 176.870 -0.025 0.000 1.083 123 L CA 1.764 56.634 54.840 0.051 0.000 0.752 123 L CB -0.669 41.411 42.059 0.036 0.000 0.899 123 L HN 0.130 nan 8.230 nan 0.000 0.433 124 L N -0.809 120.377 121.223 -0.062 0.000 2.162 124 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 124 L C 2.296 179.126 176.870 -0.068 0.000 1.086 124 L CA 0.476 55.266 54.840 -0.083 0.000 0.778 124 L CB -0.692 41.269 42.059 -0.163 0.000 0.928 124 L HN 0.297 nan 8.230 nan 0.000 0.446 125 N N 0.024 118.685 118.700 -0.065 0.000 2.149 125 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 125 N C 1.826 177.308 175.510 -0.046 0.000 1.019 125 N CA 1.341 54.368 53.050 -0.039 0.000 0.857 125 N CB -0.113 38.374 38.487 0.000 0.000 0.997 125 N HN 0.135 nan 8.380 nan 0.000 0.426 126 V N 1.015 120.907 119.914 -0.037 0.000 2.323 126 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 126 V C 2.348 178.357 176.094 -0.142 0.000 1.041 126 V CA 2.116 64.375 62.300 -0.068 0.000 1.025 126 V CB -0.790 31.032 31.823 -0.002 0.000 0.656 126 V HN 0.492 nan 8.190 nan 0.000 0.451 127 T N -2.607 111.844 114.554 -0.171 0.000 3.067 127 T HA -0.055 4.295 4.350 -0.000 0.000 0.257 127 T C 1.405 176.124 174.700 0.033 0.000 1.105 127 T CA 1.271 63.295 62.100 -0.126 0.000 1.104 127 T CB -0.080 68.644 68.868 -0.240 0.000 0.925 127 T HN 0.600 nan 8.240 nan 0.000 0.498 128 T N -2.629 111.914 114.554 -0.019 0.000 3.041 128 T HA 0.629 4.979 4.350 -0.000 0.000 0.276 128 T C 1.260 175.944 174.700 -0.027 0.000 0.948 128 T CA 0.162 62.266 62.100 0.006 0.000 0.885 128 T CB 0.183 69.079 68.868 0.046 0.000 1.175 128 T HN 0.348 nan 8.240 nan 0.000 0.529 129 A N 1.607 124.386 122.820 -0.067 0.000 2.589 129 A HA 0.606 4.926 4.320 -0.000 0.000 0.283 129 A C -2.702 174.782 177.584 -0.167 0.000 1.187 129 A CA -0.989 50.999 52.037 -0.083 0.000 0.957 129 A CB -0.154 18.816 19.000 -0.050 0.000 1.175 129 A HN 0.359 nan 8.150 nan 0.000 0.532 130 P HA 0.018 nan 4.420 nan 0.000 0.260 130 P C 0.435 177.392 177.300 -0.572 0.000 1.185 130 P CA 0.679 63.405 63.100 -0.624 0.000 0.763 130 P CB 0.499 31.519 31.700 -1.133 0.000 0.776 131 E N 2.374 122.327 120.200 -0.412 0.000 2.230 131 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 131 E C -0.116 176.411 176.600 -0.121 0.000 0.987 131 E CA 0.161 56.461 56.400 -0.167 0.000 0.841 131 E CB -0.193 29.449 29.700 -0.097 0.000 0.783 131 E HN 0.357 nan 8.360 nan 0.000 0.481 132 F N 1.536 121.386 119.950 -0.165 0.000 2.688 132 F HA -0.252 4.275 4.527 -0.000 0.000 0.276 132 F C 0.044 175.668 175.800 -0.294 0.000 1.034 132 F CA 0.416 58.232 58.000 -0.308 0.000 0.991 132 F CB -1.895 36.715 39.000 -0.649 0.000 1.119 132 F HN -0.035 nan 8.300 nan 0.000 0.837 133 R N 1.051 121.409 120.500 -0.237 0.000 2.438 133 R HA 0.337 4.677 4.340 -0.000 0.000 0.287 133 R C 1.446 177.368 176.300 -0.629 0.000 1.077 133 R CA -0.774 54.958 56.100 -0.613 0.000 1.034 133 R CB 0.656 30.305 30.300 -1.085 0.000 0.993 133 R HN 0.365 nan 8.270 nan 0.000 0.459 134 R N 1.572 121.736 120.500 -0.561 0.000 2.159 134 R HA -0.240 4.100 4.340 -0.000 0.000 0.249 134 R C 1.831 178.061 176.300 -0.117 0.000 1.136 134 R CA 2.944 58.907 56.100 -0.228 0.000 0.951 134 R CB -0.221 30.061 30.300 -0.029 0.000 0.876 134 R HN 0.787 nan 8.270 nan 0.000 0.440 135 W N -0.220 121.098 121.300 0.030 0.000 2.658 135 W HA 0.131 4.791 4.660 -0.000 0.000 0.263 135 W C 1.272 177.804 176.519 0.021 0.000 1.274 135 W CA 0.121 57.478 57.345 0.020 0.000 1.343 135 W CB -0.263 29.208 29.460 0.019 0.000 1.106 135 W HN 0.008 nan 8.180 nan 0.000 0.615 136 E N 1.252 121.399 120.200 -0.089 0.000 2.033 136 E HA -0.143 4.207 4.350 -0.000 0.000 0.189 136 E C 2.290 178.888 176.600 -0.003 0.000 0.979 136 E CA 1.481 57.890 56.400 0.015 0.000 0.802 136 E CB -0.479 29.178 29.700 -0.071 0.000 0.763 136 E HN 0.136 nan 8.360 nan 0.000 0.449 137 V N 1.922 121.799 119.914 -0.062 0.000 2.324 137 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 137 V C 2.405 178.475 176.094 -0.041 0.000 1.060 137 V CA 2.095 64.358 62.300 -0.062 0.000 1.042 137 V CB -0.807 30.950 31.823 -0.109 0.000 0.650 137 V HN 0.313 nan 8.190 nan 0.000 0.450 138 A N -0.158 122.660 122.820 -0.004 0.000 1.898 138 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 138 A C 2.424 180.020 177.584 0.021 0.000 1.181 138 A CA 1.794 53.839 52.037 0.014 0.000 0.620 138 A CB -0.817 18.214 19.000 0.051 0.000 0.819 138 A HN 0.606 nan 8.150 nan 0.000 0.442 139 A N -0.944 121.907 122.820 0.050 0.000 2.084 139 A HA -0.064 4.256 4.320 -0.000 0.000 0.221 139 A C 2.007 179.600 177.584 0.016 0.000 1.161 139 A CA 1.782 53.847 52.037 0.047 0.000 0.653 139 A CB -0.407 18.641 19.000 0.080 0.000 0.802 139 A HN 0.590 nan 8.150 nan 0.000 0.457 140 L N -0.828 120.392 121.223 -0.005 0.000 2.375 140 L HA 0.029 4.369 4.340 -0.000 0.000 0.215 140 L C 2.254 179.089 176.870 -0.059 0.000 1.108 140 L CA 1.246 56.068 54.840 -0.029 0.000 0.830 140 L CB -0.447 41.590 42.059 -0.036 0.000 0.959 140 L HN 0.409 nan 8.230 nan 0.000 0.457 141 Q N 0.002 119.766 119.800 -0.061 0.000 2.170 141 Q HA -0.142 4.197 4.340 -0.000 0.000 0.203 141 Q C -0.426 175.534 176.000 -0.067 0.000 0.976 141 Q CA 1.560 57.314 55.803 -0.081 0.000 0.858 141 Q CB -1.202 27.493 28.738 -0.073 0.000 0.907 141 Q HN 0.452 nan 8.270 nan 0.000 0.433 142 P HA -0.178 nan 4.420 nan 0.000 0.221 142 P C 1.135 178.413 177.300 -0.037 0.000 1.145 142 P CA 1.250 64.332 63.100 -0.031 0.000 0.795 142 P CB 0.007 31.698 31.700 -0.015 0.000 0.775 143 Q N -0.583 119.186 119.800 -0.051 0.000 2.311 143 Q HA -0.044 4.296 4.340 -0.000 0.000 0.203 143 Q C 1.734 177.696 176.000 -0.064 0.000 0.954 143 Q CA 0.914 56.689 55.803 -0.047 0.000 0.885 143 Q CB -0.913 27.799 28.738 -0.043 0.000 0.963 143 Q HN 0.162 nan 8.270 nan 0.000 0.471 144 L N -0.160 120.986 121.223 -0.129 0.000 2.127 144 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 144 L C 2.531 179.413 176.870 0.020 0.000 1.089 144 L CA 1.594 56.344 54.840 -0.150 0.000 0.757 144 L CB -0.418 41.493 42.059 -0.247 0.000 0.899 144 L HN 0.181 nan 8.230 nan 0.000 0.434 145 R N 0.755 121.248 120.500 -0.011 0.000 2.055 145 R HA -0.104 4.236 4.340 -0.000 0.000 0.228 145 R C 2.394 178.694 176.300 -0.001 0.000 1.143 145 R CA 1.403 57.503 56.100 0.000 0.000 0.945 145 R CB -0.267 30.028 30.300 -0.009 0.000 0.841 145 R HN 0.174 nan 8.270 nan 0.000 0.429 146 I N 1.187 121.754 120.570 -0.004 0.000 2.151 146 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 146 I C 2.086 178.201 176.117 -0.002 0.000 1.080 146 I CA 1.942 63.239 61.300 -0.005 0.000 1.339 146 I CB -0.381 37.617 38.000 -0.003 0.000 1.039 146 I HN 0.351 nan 8.210 nan 0.000 0.409 147 D N 0.579 121.000 120.400 0.034 0.000 2.103 147 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 147 D C 2.204 178.506 176.300 0.002 0.000 0.978 147 D CA 1.291 55.338 54.000 0.078 0.000 0.829 147 D CB -0.009 40.924 40.800 0.222 0.000 0.981 147 D HN 0.099 nan 8.370 nan 0.000 0.464 148 K N -0.138 120.273 120.400 0.019 0.000 2.032 148 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 148 K C 2.043 178.493 176.600 -0.251 0.000 1.048 148 K CA 1.324 57.493 56.287 -0.197 0.000 0.927 148 K CB -0.247 32.234 32.500 -0.032 0.000 0.712 148 K HN 0.147 nan 8.250 nan 0.000 0.441 149 A N 0.603 123.350 122.820 -0.121 0.000 1.865 149 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 149 A C 2.275 179.790 177.584 -0.115 0.000 1.191 149 A CA 1.931 53.909 52.037 -0.099 0.000 0.623 149 A CB -0.865 18.107 19.000 -0.047 0.000 0.826 149 A HN 0.186 nan 8.150 nan 0.000 0.444 150 V N -0.257 119.598 119.914 -0.099 0.000 2.287 150 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 150 V C 3.044 179.056 176.094 -0.136 0.000 1.053 150 V CA 2.174 64.423 62.300 -0.085 0.000 1.027 150 V CB -1.203 30.589 31.823 -0.051 0.000 0.646 150 V HN 0.646 nan 8.190 nan 0.000 0.447 151 A N -0.791 121.881 122.820 -0.247 0.000 1.929 151 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 151 A C 1.876 179.251 177.584 -0.347 0.000 1.176 151 A CA 1.257 53.093 52.037 -0.334 0.000 0.628 151 A CB -0.430 18.157 19.000 -0.688 0.000 0.816 151 A HN 0.428 nan 8.150 nan 0.000 0.444 152 L N 0.635 121.607 121.223 -0.419 0.000 2.675 152 L HA -0.001 4.339 4.340 -0.000 0.000 0.239 152 L C 2.087 178.886 176.870 -0.118 0.000 1.151 152 L CA 0.996 55.572 54.840 -0.440 0.000 0.905 152 L CB -0.304 41.402 42.059 -0.587 0.000 1.057 152 L HN 0.708 nan 8.230 nan 0.000 0.435 153 Q N -1.382 118.376 119.800 -0.070 0.000 2.246 153 Q HA 0.106 4.446 4.340 -0.000 0.000 0.202 153 Q C -0.592 175.417 176.000 0.014 0.000 0.883 153 Q CA -0.022 55.787 55.803 0.011 0.000 0.952 153 Q CB -0.095 28.642 28.738 -0.002 0.000 1.078 153 Q HN 0.493 nan 8.270 nan 0.000 0.493 154 N N 2.912 121.614 118.700 0.003 0.000 2.457 154 N HA 0.167 4.907 4.740 -0.000 0.000 0.250 154 N C -2.239 173.293 175.510 0.038 0.000 0.982 154 N CA -1.506 51.551 53.050 0.011 0.000 0.941 154 N CB 1.535 40.027 38.487 0.008 0.000 1.120 154 N HN -0.045 nan 8.380 nan 0.000 0.505 155 P HA -0.253 nan 4.420 nan 0.000 0.219 155 P C 0.909 178.156 177.300 -0.089 0.000 1.151 155 P CA 1.673 64.647 63.100 -0.211 0.000 0.850 155 P CB 0.408 31.641 31.700 -0.778 0.000 0.784 156 Q N -0.430 119.347 119.800 -0.038 0.000 2.170 156 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 156 Q C 2.413 178.479 176.000 0.109 0.000 0.976 156 Q CA 1.780 57.642 55.803 0.099 0.000 0.858 156 Q CB -1.137 27.592 28.738 -0.014 0.000 0.907 156 Q HN 0.246 nan 8.270 nan 0.000 0.433 157 A N 0.932 123.798 122.820 0.076 0.000 1.851 157 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 157 A C 1.820 179.450 177.584 0.076 0.000 1.195 157 A CA 1.722 53.789 52.037 0.050 0.000 0.622 157 A CB -1.013 17.943 19.000 -0.073 0.000 0.831 157 A HN 0.465 nan 8.150 nan 0.000 0.444 158 H N -0.619 118.456 119.070 0.008 0.000 2.289 158 H HA -0.154 4.402 4.556 -0.000 0.000 0.294 158 H C 2.298 177.652 175.328 0.043 0.000 1.095 158 H CA 1.873 57.931 56.048 0.016 0.000 1.256 158 H CB -0.636 29.114 29.762 -0.020 0.000 1.359 158 H HN 0.319 nan 8.280 nan 0.000 0.487 159 V N 1.345 121.386 119.914 0.211 0.000 2.255 159 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 159 V C 2.716 178.883 176.094 0.121 0.000 1.051 159 V CA 1.906 64.293 62.300 0.146 0.000 1.018 159 V CB -0.571 31.390 31.823 0.230 0.000 0.641 159 V HN 0.276 nan 8.190 nan 0.000 0.445 160 I N -0.423 120.238 120.570 0.152 0.000 2.493 160 I HA -0.141 4.029 4.170 -0.000 0.000 0.254 160 I C 2.602 178.892 176.117 0.289 0.000 1.160 160 I CA 0.964 62.360 61.300 0.161 0.000 1.445 160 I CB -0.335 37.784 38.000 0.200 0.000 1.086 160 I HN 0.321 nan 8.210 nan 0.000 0.433 161 E N 0.878 121.203 120.200 0.207 0.000 2.028 161 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 161 E C 1.746 178.443 176.600 0.162 0.000 0.988 161 E CA 1.323 57.831 56.400 0.180 0.000 0.799 161 E CB -0.580 29.200 29.700 0.133 0.000 0.755 161 E HN 0.601 nan 8.360 nan 0.000 0.447 162 N N 0.720 119.492 118.700 0.120 0.000 2.381 162 N HA -0.074 4.666 4.740 -0.000 0.000 0.182 162 N C 1.823 177.358 175.510 0.041 0.000 1.025 162 N CA 0.031 53.127 53.050 0.076 0.000 0.888 162 N CB 0.097 38.613 38.487 0.049 0.000 0.965 162 N HN 0.043 nan 8.380 nan 0.000 0.438 163 L N 0.175 121.414 121.223 0.027 0.000 2.179 163 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 163 L C 1.450 178.255 176.870 -0.109 0.000 1.096 163 L CA 1.720 56.502 54.840 -0.096 0.000 0.779 163 L CB -0.279 41.656 42.059 -0.207 0.000 0.922 163 L HN 0.266 nan 8.230 nan 0.000 0.443 164 H N -0.776 118.347 119.070 0.088 0.000 2.384 164 H HA 0.058 4.614 4.556 -0.000 0.000 0.300 164 H C 2.250 177.669 175.328 0.152 0.000 1.057 164 H CA 1.259 57.419 56.048 0.186 0.000 1.370 164 H CB 0.109 29.966 29.762 0.158 0.000 1.417 164 H HN 0.397 nan 8.280 nan 0.000 0.527 165 A N 0.589 123.526 122.820 0.196 0.000 2.024 165 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 165 A C 2.330 179.955 177.584 0.068 0.000 1.164 165 A CA 1.746 53.855 52.037 0.121 0.000 0.643 165 A CB -0.762 18.292 19.000 0.091 0.000 0.806 165 A HN 0.485 nan 8.150 nan 0.000 0.451 166 A N -1.038 121.787 122.820 0.008 0.000 1.997 166 A HA 0.498 4.818 4.320 -0.000 0.000 0.212 166 A C 2.361 179.835 177.584 -0.183 0.000 1.178 166 A CA 1.252 53.249 52.037 -0.067 0.000 0.698 166 A CB -0.657 18.285 19.000 -0.096 0.000 0.842 166 A HN 0.839 nan 8.150 nan 0.000 0.458 167 A N -0.910 121.768 122.820 -0.236 0.000 1.854 167 A HA 0.238 4.558 4.320 -0.000 0.000 0.214 167 A C 0.845 178.033 177.584 -0.660 0.000 1.192 167 A CA 0.760 52.442 52.037 -0.593 0.000 0.611 167 A CB -0.460 18.200 19.000 -0.566 0.000 0.832 167 A HN 0.446 nan 8.150 nan 0.000 0.442 168 Y N -1.016 119.247 120.300 -0.061 0.000 2.453 168 Y HA 0.490 5.040 4.550 -0.000 0.000 0.326 168 Y C 1.380 177.289 175.900 0.016 0.000 1.186 168 Y CA -0.692 57.409 58.100 0.002 0.000 1.200 168 Y CB 1.138 39.630 38.460 0.054 0.000 1.247 168 Y HN 0.230 nan 8.280 nan 0.000 0.482 169 R N 0.525 121.125 120.500 0.167 0.000 2.362 169 R HA 0.256 4.596 4.340 -0.000 0.000 0.227 169 R C -0.692 175.633 176.300 0.042 0.000 0.905 169 R CA 0.006 56.134 56.100 0.045 0.000 1.067 169 R CB -0.087 30.167 30.300 -0.078 0.000 1.078 169 R HN 0.659 nan 8.270 nan 0.000 0.516 170 N N -0.869 117.873 118.700 0.070 0.000 3.993 170 N HA 0.251 4.991 4.740 -0.000 0.000 0.204 170 N C -0.225 175.274 175.510 -0.017 0.000 1.071 170 N CA 0.342 53.408 53.050 0.026 0.000 1.076 170 N CB 1.086 39.593 38.487 0.033 0.000 1.644 170 N HN 0.059 nan 8.380 nan 0.000 0.650 171 A N 1.764 124.539 122.820 -0.075 0.000 3.102 171 A HA -0.337 3.983 4.320 -0.000 0.000 0.332 171 A C 1.225 178.651 177.584 -0.264 0.000 1.862 171 A CA 1.816 53.741 52.037 -0.186 0.000 0.967 171 A CB -2.108 16.761 19.000 -0.218 0.000 1.442 171 A HN 0.888 nan 8.150 nan 0.000 0.640 172 L N 0.324 121.314 121.223 -0.389 0.000 2.465 172 L HA 0.125 4.465 4.340 -0.000 0.000 0.224 172 L C 2.890 179.673 176.870 -0.144 0.000 1.145 172 L CA 1.074 55.613 54.840 -0.501 0.000 0.834 172 L CB -0.455 40.983 42.059 -1.035 0.000 0.944 172 L HN 0.797 nan 8.230 nan 0.000 0.451 173 A N 0.065 122.898 122.820 0.021 0.000 2.019 173 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 173 A C 0.948 178.562 177.584 0.050 0.000 1.164 173 A CA 0.689 52.804 52.037 0.130 0.000 0.644 173 A CB -0.786 18.293 19.000 0.131 0.000 0.805 173 A HN 0.509 nan 8.150 nan 0.000 0.449 174 N N 0.210 118.891 118.700 -0.032 0.000 2.441 174 N HA 0.258 4.998 4.740 -0.000 0.000 0.251 174 N C -0.093 175.374 175.510 -0.072 0.000 1.242 174 N CA 0.135 53.159 53.050 -0.044 0.000 0.898 174 N CB 0.464 38.906 38.487 -0.075 0.000 1.100 174 N HN 0.233 nan 8.380 nan 0.000 0.443 175 S N 1.221 116.889 115.700 -0.053 0.000 2.562 175 S HA 0.198 4.668 4.470 -0.000 0.000 0.275 175 S C 1.215 175.704 174.600 -0.184 0.000 1.281 175 S CA -0.774 57.381 58.200 -0.075 0.000 1.045 175 S CB 0.496 63.694 63.200 -0.004 0.000 0.962 175 S HN 0.480 nan 8.310 nan 0.000 0.503 176 L N 3.238 124.275 121.223 -0.310 0.000 2.265 176 L HA -0.005 4.335 4.340 -0.000 0.000 0.215 176 L C -0.305 176.044 176.870 -0.869 0.000 1.117 176 L CA 0.852 55.346 54.840 -0.578 0.000 0.782 176 L CB -0.298 41.295 42.059 -0.776 0.000 0.914 176 L HN 0.646 nan 8.230 nan 0.000 0.441 177 Y N -2.353 117.796 120.300 -0.252 0.000 2.409 177 Y HA 0.268 4.818 4.550 -0.000 0.000 0.339 177 Y C 0.387 176.237 175.900 -0.083 0.000 1.033 177 Y CA -1.535 56.365 58.100 -0.333 0.000 1.094 177 Y CB 0.883 39.154 38.460 -0.314 0.000 1.210 177 Y HN -0.216 nan 8.280 nan 0.000 0.456 178 C N 6.119 125.585 119.300 0.276 0.000 2.633 178 C HA 0.200 4.660 4.460 -0.000 0.000 0.415 178 C C -2.044 172.978 174.990 0.054 0.000 1.393 178 C CA -1.557 57.541 59.018 0.134 0.000 1.700 178 C CB -0.798 27.011 27.740 0.115 0.000 2.541 178 C HN 0.521 nan 8.230 nan 0.000 0.603 179 P HA 0.030 nan 4.420 nan 0.000 0.263 179 P C 0.344 177.613 177.300 -0.052 0.000 1.175 179 P CA 0.632 63.731 63.100 -0.001 0.000 0.761 179 P CB 0.484 32.156 31.700 -0.046 0.000 0.794 180 D N 1.650 122.082 120.400 0.053 0.000 2.149 180 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 180 D C 1.665 177.992 176.300 0.045 0.000 0.990 180 D CA 1.629 55.656 54.000 0.046 0.000 0.839 180 D CB -0.879 39.965 40.800 0.074 0.000 0.948 180 D HN 0.615 nan 8.370 nan 0.000 0.460 181 Y N 0.045 120.352 120.300 0.011 0.000 2.497 181 Y HA 0.046 4.596 4.550 -0.000 0.000 0.292 181 Y C 1.657 177.557 175.900 -0.000 0.000 1.137 181 Y CA 0.805 58.908 58.100 0.005 0.000 1.285 181 Y CB -0.058 38.406 38.460 0.006 0.000 0.991 181 Y HN -0.206 nan 8.280 nan 0.000 0.556 182 R N 0.978 121.104 120.500 -0.622 0.000 2.280 182 R HA 0.238 4.578 4.340 -0.000 0.000 0.195 182 R C 0.276 176.437 176.300 -0.232 0.000 0.935 182 R CA -0.012 55.785 56.100 -0.504 0.000 1.033 182 R CB 0.107 30.035 30.300 -0.621 0.000 0.964 182 R HN 0.358 nan 8.270 nan 0.000 0.489 183 I N 1.478 121.954 120.570 -0.155 0.000 2.664 183 I HA -0.050 4.120 4.170 -0.000 0.000 0.284 183 I C 1.167 177.240 176.117 -0.074 0.000 1.154 183 I CA 1.061 62.302 61.300 -0.098 0.000 1.402 183 I CB 0.231 38.198 38.000 -0.055 0.000 1.395 183 I HN 0.433 nan 8.210 nan 0.000 0.545 184 G N 5.725 114.477 108.800 -0.079 0.000 2.176 184 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.232 184 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.232 184 G C 0.912 175.777 174.900 -0.058 0.000 0.986 184 G CA -0.237 44.830 45.100 -0.056 0.000 0.643 184 G HN 0.583 nan 8.290 nan 0.000 0.522 185 K N -0.374 119.976 120.400 -0.084 0.000 2.435 185 K HA 0.314 4.634 4.320 -0.000 0.000 0.199 185 K C 1.194 177.738 176.600 -0.093 0.000 1.153 185 K CA 0.596 56.839 56.287 -0.075 0.000 0.974 185 K CB 0.978 33.434 32.500 -0.073 0.000 0.997 185 K HN 0.765 nan 8.250 nan 0.000 0.547 186 V N 3.715 123.551 119.914 -0.130 0.000 2.585 186 V HA 0.108 4.228 4.120 -0.000 0.000 0.296 186 V C 0.021 176.026 176.094 -0.148 0.000 1.035 186 V CA 0.171 62.381 62.300 -0.150 0.000 1.084 186 V CB 0.448 32.156 31.823 -0.192 0.000 0.953 186 V HN 0.439 nan 8.190 nan 0.000 0.483 187 T N 4.154 118.623 114.554 -0.141 0.000 2.944 187 T HA 0.588 4.938 4.350 -0.000 0.000 0.284 187 T C -1.861 172.720 174.700 -0.199 0.000 1.010 187 T CA -1.734 60.289 62.100 -0.129 0.000 1.025 187 T CB 1.478 70.304 68.868 -0.071 0.000 1.079 187 T HN 0.465 nan 8.240 nan 0.000 0.516 188 P HA -0.138 nan 4.420 nan 0.000 0.216 188 P C 1.881 179.113 177.300 -0.114 0.000 1.153 188 P CA 0.902 63.873 63.100 -0.214 0.000 0.858 188 P CB -0.238 31.418 31.700 -0.074 0.000 0.789 189 V N -0.024 119.892 119.914 0.003 0.000 2.343 189 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 189 V C 1.965 178.069 176.094 0.017 0.000 1.051 189 V CA 2.065 64.408 62.300 0.072 0.000 1.036 189 V CB -1.089 30.769 31.823 0.058 0.000 0.654 189 V HN 0.069 nan 8.190 nan 0.000 0.451 190 E N -0.009 120.155 120.200 -0.060 0.000 2.072 190 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 190 E C 2.245 178.775 176.600 -0.117 0.000 0.985 190 E CA 1.724 58.088 56.400 -0.060 0.000 0.801 190 E CB -0.243 29.406 29.700 -0.084 0.000 0.750 190 E HN 0.654 nan 8.360 nan 0.000 0.452 191 L N 0.564 121.582 121.223 -0.342 0.000 1.970 191 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 191 L C 2.599 179.233 176.870 -0.394 0.000 1.071 191 L CA 1.267 55.706 54.840 -0.668 0.000 0.751 191 L CB -0.721 40.405 42.059 -1.555 0.000 0.889 191 L HN 0.281 nan 8.230 nan 0.000 0.432 192 H N 0.212 119.198 119.070 -0.140 0.000 2.289 192 H HA -0.214 4.342 4.556 -0.000 0.000 0.294 192 H C 2.032 177.393 175.328 0.054 0.000 1.095 192 H CA 1.999 58.132 56.048 0.140 0.000 1.256 192 H CB -0.392 29.443 29.762 0.123 0.000 1.359 192 H HN 0.375 nan 8.280 nan 0.000 0.487 193 D N -0.319 120.172 120.400 0.151 0.000 2.144 193 D HA -0.150 4.489 4.640 -0.000 0.000 0.199 193 D C 2.178 178.537 176.300 0.098 0.000 0.984 193 D CA 0.724 54.778 54.000 0.091 0.000 0.834 193 D CB -0.670 40.177 40.800 0.078 0.000 0.955 193 D HN 0.370 nan 8.370 nan 0.000 0.465 194 Y N 1.400 121.708 120.300 0.013 0.000 2.145 194 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 194 Y C 2.328 178.265 175.900 0.061 0.000 1.145 194 Y CA 1.135 59.307 58.100 0.120 0.000 1.148 194 Y CB -0.217 38.273 38.460 0.050 0.000 0.981 194 Y HN -0.199 nan 8.280 nan 0.000 0.507 195 V N 0.105 119.993 119.914 -0.043 0.000 2.287 195 V HA -0.383 3.737 4.120 -0.000 0.000 0.248 195 V C 2.159 178.159 176.094 -0.157 0.000 1.053 195 V CA 2.349 64.398 62.300 -0.419 0.000 1.027 195 V CB -0.882 30.713 31.823 -0.380 0.000 0.646 195 V HN 0.420 nan 8.190 nan 0.000 0.447 196 Q N -0.105 119.656 119.800 -0.065 0.000 2.084 196 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 196 Q C 2.228 178.151 176.000 -0.129 0.000 0.978 196 Q CA 1.622 57.389 55.803 -0.059 0.000 0.844 196 Q CB -0.164 28.554 28.738 -0.034 0.000 0.898 196 Q HN 0.640 nan 8.270 nan 0.000 0.426 197 N N -0.828 117.719 118.700 -0.255 0.000 2.300 197 N HA -0.081 4.658 4.740 -0.000 0.000 0.179 197 N C 0.815 175.917 175.510 -0.679 0.000 1.016 197 N CA 1.200 53.929 53.050 -0.535 0.000 0.876 197 N CB 0.124 38.132 38.487 -0.799 0.000 0.979 197 N HN 0.437 nan 8.380 nan 0.000 0.432 198 H N -2.334 116.654 119.070 -0.137 0.000 2.927 198 H HA 0.271 4.827 4.556 -0.000 0.000 0.255 198 H C -0.125 175.281 175.328 0.129 0.000 0.974 198 H CA -0.169 55.804 56.048 -0.124 0.000 1.199 198 H CB 0.245 29.804 29.762 -0.339 0.000 1.447 198 H HN -0.028 nan 8.280 nan 0.000 0.467 199 F N 3.111 123.049 119.950 -0.021 0.000 2.954 199 F HA 0.188 4.715 4.527 -0.000 0.000 0.300 199 F C 0.885 176.668 175.800 -0.027 0.000 1.206 199 F CA -0.627 57.371 58.000 -0.004 0.000 1.345 199 F CB -0.802 38.209 39.000 0.018 0.000 1.206 199 F HN 0.043 nan 8.300 nan 0.000 0.537 200 T N -4.565 110.052 114.554 0.105 0.000 2.884 200 T HA 0.298 4.648 4.350 -0.000 0.000 0.277 200 T C 1.528 176.240 174.700 0.020 0.000 0.976 200 T CA -0.451 61.674 62.100 0.041 0.000 0.956 200 T CB 1.434 70.301 68.868 -0.002 0.000 1.113 200 T HN -0.005 nan 8.240 nan 0.000 0.554 201 S N 0.429 116.133 115.700 0.006 0.000 2.348 201 S HA -0.017 4.453 4.470 -0.000 0.000 0.221 201 S C 2.490 177.087 174.600 -0.005 0.000 1.033 201 S CA 1.127 59.326 58.200 -0.002 0.000 1.010 201 S CB -1.123 62.072 63.200 -0.009 0.000 0.891 201 S HN 0.903 nan 8.310 nan 0.000 0.442 202 A N 1.052 123.868 122.820 -0.006 0.000 2.139 202 A HA -0.111 4.209 4.320 -0.000 0.000 0.221 202 A C 1.966 179.550 177.584 -0.000 0.000 1.159 202 A CA 1.330 53.365 52.037 -0.002 0.000 0.662 202 A CB -0.320 18.678 19.000 -0.004 0.000 0.796 202 A HN 0.444 nan 8.150 nan 0.000 0.463 203 R N -2.140 118.355 120.500 -0.008 0.000 2.437 203 R HA 0.395 4.735 4.340 -0.000 0.000 0.257 203 R C -0.143 176.150 176.300 -0.011 0.000 0.927 203 R CA -0.088 56.001 56.100 -0.018 0.000 1.078 203 R CB 0.337 30.612 30.300 -0.043 0.000 1.161 203 R HN 0.459 nan 8.270 nan 0.000 0.529 204 M N -0.239 119.360 119.600 -0.002 0.000 2.724 204 M HA 0.582 5.062 4.480 -0.000 0.000 0.310 204 M C -1.048 175.269 176.300 0.027 0.000 1.217 204 M CA -0.901 54.402 55.300 0.005 0.000 0.894 204 M CB 2.471 35.063 32.600 -0.012 0.000 1.719 204 M HN -0.091 nan 8.290 nan 0.000 0.479 205 A N 2.129 124.992 122.820 0.071 0.000 2.408 205 A HA 0.727 5.047 4.320 -0.000 0.000 0.295 205 A C -1.928 175.733 177.584 0.128 0.000 1.040 205 A CA -0.563 51.512 52.037 0.063 0.000 0.707 205 A CB 1.283 20.311 19.000 0.047 0.000 1.235 205 A HN 0.700 nan 8.150 nan 0.000 0.418 206 L N 4.718 125.974 121.223 0.055 0.000 2.276 206 L HA 0.635 4.975 4.340 -0.000 0.000 0.286 206 L C -1.009 175.903 176.870 0.070 0.000 1.024 206 L CA -0.344 54.541 54.840 0.075 0.000 0.826 206 L CB 0.627 42.696 42.059 0.016 0.000 1.211 206 L HN 0.545 nan 8.230 nan 0.000 0.422 207 I N 4.247 124.912 120.570 0.159 0.000 2.474 207 I HA 0.675 4.845 4.170 -0.000 0.000 0.294 207 I C 0.458 176.659 176.117 0.139 0.000 1.005 207 I CA -0.547 60.833 61.300 0.133 0.000 1.113 207 I CB 1.398 39.475 38.000 0.129 0.000 1.289 207 I HN 0.670 nan 8.210 nan 0.000 0.436 208 G N 5.845 114.707 108.800 0.105 0.000 2.707 208 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 208 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 208 G C -1.579 173.380 174.900 0.098 0.000 1.442 208 G CA -0.327 44.829 45.100 0.093 0.000 1.009 208 G HN 0.312 nan 8.290 nan 0.000 0.515 209 L N 1.363 122.645 121.223 0.100 0.000 2.325 209 L HA 0.688 5.028 4.340 -0.000 0.000 0.278 209 L C 1.316 178.206 176.870 0.034 0.000 1.023 209 L CA 0.812 55.701 54.840 0.082 0.000 0.811 209 L CB 1.860 43.991 42.059 0.119 0.000 1.249 209 L HN 1.134 nan 8.230 nan 0.000 0.431 210 G N 2.158 110.951 108.800 -0.012 0.000 2.187 210 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.261 210 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.261 210 G C 0.002 174.891 174.900 -0.018 0.000 1.000 210 G CA 0.523 45.603 45.100 -0.033 0.000 0.718 210 G HN 0.821 nan 8.290 nan 0.000 0.519 211 V N -2.319 117.591 119.914 -0.007 0.000 2.919 211 V HA 0.954 5.074 4.120 -0.000 0.000 0.316 211 V C 0.372 176.467 176.094 0.002 0.000 1.077 211 V CA -0.303 61.998 62.300 0.001 0.000 0.977 211 V CB 1.905 33.738 31.823 0.015 0.000 1.039 211 V HN 1.220 nan 8.190 nan 0.000 0.441 212 S N -0.088 115.619 115.700 0.012 0.000 2.508 212 S HA 0.380 4.850 4.470 -0.000 0.000 0.284 212 S C 0.655 175.296 174.600 0.070 0.000 1.192 212 S CA -0.093 58.127 58.200 0.034 0.000 1.070 212 S CB 0.903 64.120 63.200 0.029 0.000 1.004 212 S HN 0.966 nan 8.310 nan 0.000 0.493 213 H N 3.294 122.353 119.070 -0.017 0.000 2.387 213 H HA 0.032 4.588 4.556 -0.000 0.000 0.299 213 H C -1.227 174.096 175.328 -0.009 0.000 1.099 213 H CA 2.203 58.242 56.048 -0.015 0.000 1.315 213 H CB -1.158 28.596 29.762 -0.014 0.000 1.380 213 H HN 0.529 nan 8.280 nan 0.000 0.513 214 P HA -0.187 nan 4.420 nan 0.000 0.216 214 P C 1.540 178.826 177.300 -0.023 0.000 1.153 214 P CA 1.576 64.682 63.100 0.010 0.000 0.858 214 P CB 0.051 31.771 31.700 0.033 0.000 0.789 215 V N -0.757 119.150 119.914 -0.012 0.000 2.283 215 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 215 V C 2.517 178.593 176.094 -0.030 0.000 1.039 215 V CA 1.348 63.642 62.300 -0.009 0.000 1.016 215 V CB -1.336 30.489 31.823 0.003 0.000 0.650 215 V HN 0.059 nan 8.190 nan 0.000 0.449 216 L N -0.006 121.180 121.223 -0.060 0.000 1.997 216 L HA -0.327 4.013 4.340 -0.000 0.000 0.216 216 L C 2.685 179.478 176.870 -0.127 0.000 1.074 216 L CA 2.486 57.270 54.840 -0.094 0.000 0.763 216 L CB -0.553 41.424 42.059 -0.137 0.000 0.890 216 L HN 0.370 nan 8.230 nan 0.000 0.434 217 K N -0.405 119.872 120.400 -0.206 0.000 2.063 217 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 217 K C 2.135 178.686 176.600 -0.083 0.000 1.048 217 K CA 1.739 57.916 56.287 -0.182 0.000 0.928 217 K CB -0.033 32.343 32.500 -0.206 0.000 0.713 217 K HN 0.113 nan 8.250 nan 0.000 0.442 218 Q N 0.184 119.956 119.800 -0.046 0.000 2.050 218 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 218 Q C 1.798 177.823 176.000 0.043 0.000 0.980 218 Q CA 2.030 57.829 55.803 -0.006 0.000 0.840 218 Q CB -0.055 28.691 28.738 0.013 0.000 0.898 218 Q HN 0.209 nan 8.270 nan 0.000 0.424 219 V N 0.601 120.562 119.914 0.079 0.000 2.407 219 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 219 V C 2.234 178.439 176.094 0.186 0.000 1.055 219 V CA 1.770 64.190 62.300 0.200 0.000 1.049 219 V CB -1.348 30.530 31.823 0.093 0.000 0.662 219 V HN 0.501 nan 8.190 nan 0.000 0.455 220 A N -0.360 122.489 122.820 0.049 0.000 1.897 220 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 220 A C 2.205 179.779 177.584 -0.018 0.000 1.181 220 A CA 1.409 53.452 52.037 0.010 0.000 0.620 220 A CB -0.365 18.606 19.000 -0.048 0.000 0.821 220 A HN 0.572 nan 8.150 nan 0.000 0.443 221 E N -0.664 119.508 120.200 -0.046 0.000 2.285 221 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 221 E C 2.149 178.666 176.600 -0.137 0.000 0.997 221 E CA 0.679 57.033 56.400 -0.077 0.000 0.845 221 E CB -0.029 29.627 29.700 -0.072 0.000 0.782 221 E HN 0.671 nan 8.360 nan 0.000 0.491 222 Q N -0.786 118.901 119.800 -0.189 0.000 2.089 222 Q HA -0.023 4.317 4.340 -0.000 0.000 0.195 222 Q C 1.253 176.851 176.000 -0.670 0.000 0.963 222 Q CA 1.012 56.510 55.803 -0.508 0.000 0.834 222 Q CB 0.271 28.585 28.738 -0.707 0.000 0.906 222 Q HN 0.249 nan 8.270 nan 0.000 0.452 223 F N -1.200 118.729 119.950 -0.036 0.000 2.712 223 F HA 0.179 4.706 4.527 -0.000 0.000 0.297 223 F C 1.365 177.147 175.800 -0.029 0.000 1.114 223 F CA 0.188 58.168 58.000 -0.033 0.000 1.305 223 F CB 0.617 39.596 39.000 -0.036 0.000 1.086 223 F HN -0.100 nan 8.300 nan 0.000 0.599 224 L N -0.019 121.258 121.223 0.089 0.000 2.818 224 L HA 0.208 4.548 4.340 -0.000 0.000 0.243 224 L C 0.222 177.097 176.870 0.008 0.000 1.185 224 L CA -0.111 54.759 54.840 0.051 0.000 0.988 224 L CB -0.314 41.770 42.059 0.043 0.000 1.292 224 L HN -0.053 nan 8.230 nan 0.000 0.519 225 N N 2.212 120.900 118.700 -0.020 0.000 2.819 225 N HA 0.135 4.875 4.740 -0.000 0.000 0.284 225 N C -0.805 174.693 175.510 -0.020 0.000 1.196 225 N CA 0.200 53.231 53.050 -0.031 0.000 1.114 225 N CB 0.075 38.529 38.487 -0.056 0.000 1.437 225 N HN 0.045 nan 8.380 nan 0.000 0.518 226 I N 1.598 122.165 120.570 -0.006 0.000 2.509 226 I HA 0.541 4.711 4.170 -0.000 0.000 0.293 226 I C 0.076 176.190 176.117 -0.004 0.000 1.020 226 I CA -0.651 60.650 61.300 0.001 0.000 1.088 226 I CB 1.568 39.582 38.000 0.024 0.000 1.267 226 I HN 0.277 nan 8.210 nan 0.000 0.430 227 R N 2.788 123.281 120.500 -0.012 0.000 2.579 227 R HA 0.543 4.883 4.340 -0.000 0.000 0.260 227 R C -0.349 175.935 176.300 -0.026 0.000 1.103 227 R CA -0.355 55.734 56.100 -0.018 0.000 0.942 227 R CB 2.293 32.582 30.300 -0.018 0.000 1.251 227 R HN 0.959 nan 8.270 nan 0.000 0.450 228 G N 1.030 109.809 108.800 -0.036 0.000 2.925 228 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.224 228 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.224 228 G C 0.148 175.008 174.900 -0.066 0.000 1.015 228 G CA -0.072 45.002 45.100 -0.044 0.000 1.026 228 G HN 0.809 nan 8.290 nan 0.000 0.608 229 G N -0.104 108.641 108.800 -0.093 0.000 3.229 229 G HA2 0.724 4.684 3.960 -0.000 0.000 0.165 229 G HA3 0.724 4.684 3.960 -0.000 0.000 0.165 229 G C 0.231 175.065 174.900 -0.111 0.000 1.753 229 G CA 0.392 45.405 45.100 -0.146 0.000 1.054 229 G HN 0.900 nan 8.290 nan 0.000 0.544 230 L N -1.905 119.240 121.223 -0.130 0.000 2.279 230 L HA 0.845 5.185 4.340 -0.000 0.000 0.262 230 L C 1.096 177.940 176.870 -0.043 0.000 1.019 230 L CA -0.303 54.494 54.840 -0.072 0.000 0.823 230 L CB 1.244 43.266 42.059 -0.062 0.000 1.358 230 L HN 0.521 nan 8.230 nan 0.000 0.432 231 G N 0.072 108.867 108.800 -0.007 0.000 2.680 231 G HA2 0.229 4.189 3.960 -0.000 0.000 0.224 231 G HA3 0.229 4.189 3.960 -0.000 0.000 0.224 231 G C 0.342 175.260 174.900 0.030 0.000 1.454 231 G CA -0.078 45.026 45.100 0.006 0.000 0.900 231 G HN 0.696 nan 8.290 nan 0.000 0.570 232 L N 1.480 122.732 121.223 0.048 0.000 4.422 232 L HA -0.122 4.218 4.340 -0.000 0.000 0.545 232 L C -0.390 176.556 176.870 0.128 0.000 1.042 232 L CA 0.411 55.298 54.840 0.079 0.000 0.533 232 L CB -1.616 40.491 42.059 0.080 0.000 0.674 232 L HN 0.102 nan 8.230 nan 0.000 1.072 233 S N 3.010 118.798 115.700 0.145 0.000 4.069 233 S HA 0.511 4.981 4.470 -0.000 0.000 0.192 233 S C 1.011 175.730 174.600 0.198 0.000 1.441 233 S CA 0.185 58.530 58.200 0.243 0.000 0.994 233 S CB -0.013 63.306 63.200 0.198 0.000 1.456 233 S HN 1.079 nan 8.310 nan 0.000 0.458 234 G N 0.044 108.972 108.800 0.214 0.000 3.148 234 G HA2 0.495 4.455 3.960 -0.000 0.000 0.300 234 G HA3 0.495 4.455 3.960 -0.000 0.000 0.300 234 G C 0.261 175.225 174.900 0.107 0.000 2.403 234 G CA -0.201 44.968 45.100 0.114 0.000 0.763 234 G HN 0.393 nan 8.290 nan 0.000 0.371 235 A N 1.394 124.250 122.820 0.059 0.000 2.072 235 A HA 0.586 4.906 4.320 -0.000 0.000 0.216 235 A C 1.194 178.795 177.584 0.028 0.000 1.156 235 A CA 1.245 53.304 52.037 0.037 0.000 0.701 235 A CB -0.164 18.843 19.000 0.012 0.000 0.816 235 A HN 1.351 nan 8.150 nan 0.000 0.458 236 K N -1.621 118.790 120.400 0.019 0.000 6.958 236 K HA -0.082 4.238 4.320 -0.000 0.000 0.778 236 K C -0.306 176.311 176.600 0.028 0.000 2.415 236 K CA 0.617 56.921 56.287 0.028 0.000 1.749 236 K CB -1.186 31.344 32.500 0.050 0.000 2.102 236 K HN 0.927 nan 8.250 nan 0.000 0.285 237 A N 5.752 128.583 122.820 0.019 0.000 2.347 237 A HA 0.256 4.576 4.320 -0.000 0.000 0.287 237 A C -0.276 177.436 177.584 0.213 0.000 1.199 237 A CA -0.148 51.905 52.037 0.026 0.000 0.851 237 A CB 0.241 19.138 19.000 -0.171 0.000 1.118 237 A HN 0.448 nan 8.150 nan 0.000 0.525 238 K N 3.315 123.854 120.400 0.231 0.000 2.250 238 K HA 0.131 4.451 4.320 -0.000 0.000 0.285 238 K C -0.853 175.962 176.600 0.358 0.000 1.097 238 K CA -0.136 56.298 56.287 0.244 0.000 0.913 238 K CB 0.674 33.251 32.500 0.128 0.000 1.179 238 K HN 0.718 nan 8.250 nan 0.000 0.462 239 Y N 1.881 122.324 120.300 0.239 0.000 2.480 239 Y HA -0.145 4.405 4.550 -0.000 0.000 0.338 239 Y C 1.281 177.225 175.900 0.074 0.000 1.220 239 Y CA 1.153 59.268 58.100 0.025 0.000 1.430 239 Y CB 0.485 38.915 38.460 -0.050 0.000 1.311 239 Y HN 0.724 nan 8.280 nan 0.000 0.575 240 H N 2.326 120.978 119.070 -0.696 0.000 2.612 240 H HA 0.315 4.871 4.556 -0.000 0.000 0.193 240 H C 0.282 175.307 175.328 -0.505 0.000 0.875 240 H CA 0.611 56.430 56.048 -0.382 0.000 0.923 240 H CB 0.255 29.875 29.762 -0.236 0.000 1.170 240 H HN 0.977 nan 8.280 nan 0.000 0.459 241 G N -0.253 107.899 108.800 -1.080 0.000 2.755 241 G HA2 0.401 4.361 3.960 -0.000 0.000 0.686 241 G HA3 0.401 4.361 3.960 -0.000 0.000 0.686 241 G C 0.286 174.770 174.900 -0.694 0.000 1.427 241 G CA 0.245 44.865 45.100 -0.800 0.000 0.873 241 G HN 1.459 nan 8.290 nan 0.000 0.580 242 G N -0.033 108.521 108.800 -0.410 0.000 2.367 242 G HA2 0.798 4.758 3.960 -0.000 0.000 0.272 242 G HA3 0.798 4.758 3.960 -0.000 0.000 0.272 242 G C -0.908 173.889 174.900 -0.171 0.000 1.271 242 G CA 0.780 45.709 45.100 -0.286 0.000 0.893 242 G HN 2.175 nan 8.290 nan 0.000 0.485 243 E N -1.031 119.107 120.200 -0.105 0.000 2.321 243 E HA 0.624 4.974 4.350 -0.000 0.000 0.281 243 E C -1.698 174.873 176.600 -0.049 0.000 0.910 243 E CA -0.902 55.452 56.400 -0.077 0.000 0.770 243 E CB 2.241 31.916 29.700 -0.041 0.000 1.225 243 E HN 0.522 nan 8.360 nan 0.000 0.417 244 I N 2.262 122.795 120.570 -0.060 0.000 2.433 244 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 244 I C -0.234 175.845 176.117 -0.064 0.000 1.001 244 I CA -0.773 60.504 61.300 -0.039 0.000 1.119 244 I CB 1.717 39.706 38.000 -0.018 0.000 1.289 244 I HN 0.361 nan 8.210 nan 0.000 0.438 245 R N 4.568 125.032 120.500 -0.062 0.000 2.599 245 R HA 0.517 4.856 4.340 -0.000 0.000 0.295 245 R C -0.902 175.358 176.300 -0.067 0.000 0.963 245 R CA -0.809 55.232 56.100 -0.098 0.000 0.883 245 R CB 2.545 32.757 30.300 -0.146 0.000 1.171 245 R HN 0.538 nan 8.270 nan 0.000 0.450 246 E N 2.477 122.631 120.200 -0.078 0.000 2.373 246 E HA 0.062 4.412 4.350 -0.000 0.000 0.251 246 E C -0.906 175.647 176.600 -0.079 0.000 0.923 246 E CA -0.547 55.814 56.400 -0.066 0.000 0.798 246 E CB 1.130 30.790 29.700 -0.067 0.000 1.303 246 E HN 0.295 nan 8.360 nan 0.000 0.412 247 Q N 2.523 122.284 119.800 -0.065 0.000 2.244 247 Q HA 0.016 4.355 4.340 -0.000 0.000 0.276 247 Q C -0.167 175.797 176.000 -0.059 0.000 1.122 247 Q CA 0.732 56.498 55.803 -0.061 0.000 0.920 247 Q CB 0.772 29.482 28.738 -0.046 0.000 1.186 247 Q HN 0.647 nan 8.270 nan 0.000 0.393 248 N N 1.083 119.745 118.700 -0.063 0.000 2.508 248 N HA 0.068 4.808 4.740 -0.000 0.000 0.186 248 N C 0.118 175.603 175.510 -0.041 0.000 1.034 248 N CA 0.493 53.504 53.050 -0.064 0.000 0.885 248 N CB 0.322 38.762 38.487 -0.079 0.000 1.135 248 N HN 0.792 nan 8.380 nan 0.000 0.435 249 G N 1.404 110.185 108.800 -0.031 0.000 2.220 249 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 249 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 249 G C -0.460 174.432 174.900 -0.014 0.000 0.791 249 G CA 0.631 45.721 45.100 -0.018 0.000 1.197 249 G HN 0.374 nan 8.290 nan 0.000 0.336 250 D N 0.120 120.517 120.400 -0.006 0.000 2.469 250 D HA 0.244 4.884 4.640 -0.000 0.000 0.213 250 D C 1.664 177.982 176.300 0.030 0.000 1.135 250 D CA 1.421 55.427 54.000 0.010 0.000 0.834 250 D CB 0.418 41.224 40.800 0.011 0.000 1.009 250 D HN 0.959 nan 8.370 nan 0.000 0.507 251 S N -0.809 114.905 115.700 0.022 0.000 1.998 251 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 251 S C 0.164 174.782 174.600 0.030 0.000 1.062 251 S CA 0.929 59.144 58.200 0.025 0.000 1.630 251 S CB -1.467 61.748 63.200 0.025 0.000 2.147 251 S HN 0.303 nan 8.310 nan 0.000 0.569 252 L N 2.536 123.787 121.223 0.047 0.000 2.282 252 L HA 0.600 4.940 4.340 -0.000 0.000 0.288 252 L C -0.105 176.802 176.870 0.061 0.000 1.033 252 L CA -0.872 53.992 54.840 0.040 0.000 0.807 252 L CB 1.725 43.811 42.059 0.046 0.000 1.209 252 L HN 0.199 nan 8.230 nan 0.000 0.423 253 V N 3.613 123.530 119.914 0.005 0.000 2.427 253 V HA 0.148 4.268 4.120 -0.000 0.000 0.268 253 V C 0.350 176.408 176.094 -0.059 0.000 1.046 253 V CA -0.453 61.844 62.300 -0.005 0.000 0.970 253 V CB 0.280 32.078 31.823 -0.042 0.000 1.001 253 V HN 0.562 nan 8.190 nan 0.000 0.476 254 H N 3.446 122.455 119.070 -0.100 0.000 2.487 254 H HA 0.726 5.282 4.556 -0.000 0.000 0.333 254 H C 0.058 175.192 175.328 -0.324 0.000 1.114 254 H CA -0.053 55.874 56.048 -0.202 0.000 1.310 254 H CB 1.948 31.672 29.762 -0.063 0.000 1.462 254 H HN 0.771 nan 8.280 nan 0.000 0.516 255 A N 1.694 124.236 122.820 -0.463 0.000 2.547 255 A HA 0.648 4.968 4.320 -0.000 0.000 0.297 255 A C -1.390 175.839 177.584 -0.591 0.000 1.056 255 A CA -0.356 51.441 52.037 -0.400 0.000 0.688 255 A CB 1.555 20.411 19.000 -0.241 0.000 1.282 255 A HN 0.746 nan 8.150 nan 0.000 0.400 256 A N 1.755 124.321 122.820 -0.423 0.000 2.371 256 A HA 0.813 5.133 4.320 -0.000 0.000 0.311 256 A C -1.163 176.202 177.584 -0.365 0.000 1.068 256 A CA -0.468 51.352 52.037 -0.363 0.000 0.744 256 A CB 1.271 20.118 19.000 -0.256 0.000 1.239 256 A HN 1.450 nan 8.150 nan 0.000 0.435 257 L N 2.899 123.821 121.223 -0.503 0.000 2.408 257 L HA 0.871 5.211 4.340 -0.000 0.000 0.268 257 L C -1.742 174.887 176.870 -0.402 0.000 0.986 257 L CA -0.651 53.893 54.840 -0.494 0.000 0.820 257 L CB 1.886 43.527 42.059 -0.698 0.000 1.303 257 L HN 0.599 nan 8.230 nan 0.000 0.411 258 V N 3.111 122.955 119.914 -0.118 0.000 3.023 258 V HA 0.764 4.884 4.120 -0.000 0.000 0.294 258 V C -0.757 175.439 176.094 0.169 0.000 1.324 258 V CA -0.380 61.961 62.300 0.068 0.000 0.979 258 V CB 2.179 33.976 31.823 -0.042 0.000 1.093 258 V HN 0.970 nan 8.190 nan 0.000 0.434 259 A N 2.912 125.910 122.820 0.297 0.000 2.384 259 A HA 0.792 5.112 4.320 -0.000 0.000 0.312 259 A C -0.304 177.232 177.584 -0.079 0.000 1.113 259 A CA -0.653 51.453 52.037 0.115 0.000 0.779 259 A CB 1.362 20.425 19.000 0.106 0.000 1.307 259 A HN 0.858 nan 8.150 nan 0.000 0.436 260 E N 0.716 120.574 120.200 -0.569 0.000 2.606 260 E HA 0.107 4.457 4.350 -0.000 0.000 0.248 260 E C 0.888 177.302 176.600 -0.310 0.000 1.005 260 E CA 0.463 56.485 56.400 -0.630 0.000 0.946 260 E CB 0.394 29.469 29.700 -1.042 0.000 0.928 260 E HN 0.728 nan 8.360 nan 0.000 0.494 261 S N 3.748 119.242 115.700 -0.343 0.000 2.720 261 S HA 0.605 5.075 4.470 -0.000 0.000 0.161 261 S C 0.182 174.600 174.600 -0.302 0.000 0.936 261 S CA -0.112 57.684 58.200 -0.673 0.000 1.419 261 S CB 0.376 62.807 63.200 -1.282 0.000 0.608 261 S HN 0.542 nan 8.310 nan 0.000 0.465 262 A N -0.056 122.623 122.820 -0.236 0.000 2.515 262 A HA 0.824 5.144 4.320 -0.000 0.000 0.298 262 A C -0.461 177.112 177.584 -0.019 0.000 1.059 262 A CA -0.507 51.514 52.037 -0.027 0.000 0.698 262 A CB 1.067 20.127 19.000 0.100 0.000 1.289 262 A HN 1.248 nan 8.150 nan 0.000 0.404 263 A N 1.279 124.112 122.820 0.022 0.000 2.388 263 A HA 0.553 4.873 4.320 -0.000 0.000 0.257 263 A C 0.378 177.968 177.584 0.011 0.000 1.095 263 A CA -0.255 51.802 52.037 0.032 0.000 0.791 263 A CB -0.020 19.014 19.000 0.055 0.000 1.029 263 A HN 1.377 nan 8.150 nan 0.000 0.489 264 I N 1.869 122.439 120.570 -0.000 0.000 2.775 264 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 264 I C 1.278 177.390 176.117 -0.009 0.000 1.203 264 I CA 1.993 63.282 61.300 -0.019 0.000 1.433 264 I CB 0.418 38.400 38.000 -0.030 0.000 1.354 264 I HN 1.168 nan 8.210 nan 0.000 0.579 265 G N 4.571 113.355 108.800 -0.026 0.000 3.642 265 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.205 265 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.205 265 G C 0.314 175.200 174.900 -0.024 0.000 1.526 265 G CA 0.062 45.145 45.100 -0.028 0.000 1.097 265 G HN 1.211 nan 8.290 nan 0.000 0.596 266 S N 1.830 117.527 115.700 -0.006 0.000 2.536 266 S HA 0.395 4.865 4.470 -0.000 0.000 0.290 266 S C 1.780 176.378 174.600 -0.004 0.000 1.302 266 S CA 1.049 59.249 58.200 0.001 0.000 1.037 266 S CB 1.186 64.398 63.200 0.019 0.000 0.804 266 S HN 2.102 nan 8.310 nan 0.000 0.506 267 A N 1.864 124.680 122.820 -0.007 0.000 1.883 267 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 267 A C 2.151 179.731 177.584 -0.007 0.000 1.186 267 A CA 1.774 53.800 52.037 -0.017 0.000 0.624 267 A CB -1.332 17.655 19.000 -0.021 0.000 0.822 267 A HN 1.056 nan 8.150 nan 0.000 0.444 268 E N -0.202 120.007 120.200 0.015 0.000 2.187 268 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 268 E C 1.960 178.636 176.600 0.127 0.000 1.004 268 E CA 1.218 57.646 56.400 0.046 0.000 0.813 268 E CB -0.263 29.491 29.700 0.090 0.000 0.736 268 E HN 0.586 nan 8.360 nan 0.000 0.468 269 A N 0.437 123.321 122.820 0.107 0.000 2.015 269 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 269 A C 1.658 179.291 177.584 0.082 0.000 1.163 269 A CA 1.582 53.690 52.037 0.118 0.000 0.646 269 A CB -0.449 18.572 19.000 0.035 0.000 0.806 269 A HN 0.344 nan 8.150 nan 0.000 0.448 270 N N 0.269 118.980 118.700 0.019 0.000 2.333 270 N HA 0.131 4.871 4.740 -0.000 0.000 0.178 270 N C 1.839 177.330 175.510 -0.031 0.000 1.018 270 N CA 0.946 53.986 53.050 -0.017 0.000 0.882 270 N CB -0.297 38.159 38.487 -0.051 0.000 0.984 270 N HN 0.411 nan 8.380 nan 0.000 0.434 271 A N 0.850 123.628 122.820 -0.070 0.000 1.884 271 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 271 A C 1.758 179.192 177.584 -0.251 0.000 1.197 271 A CA 1.433 53.361 52.037 -0.181 0.000 0.637 271 A CB -1.062 17.774 19.000 -0.272 0.000 0.827 271 A HN 0.228 nan 8.150 nan 0.000 0.450 272 F N 0.045 119.886 119.950 -0.182 0.000 2.102 272 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 272 F C 2.949 178.677 175.800 -0.119 0.000 1.105 272 F CA 1.541 59.359 58.000 -0.303 0.000 1.239 272 F CB -0.731 38.084 39.000 -0.307 0.000 0.991 272 F HN 0.168 nan 8.300 nan 0.000 0.474 273 S N -0.245 115.546 115.700 0.151 0.000 2.380 273 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 273 S C 2.223 176.938 174.600 0.192 0.000 1.043 273 S CA 1.467 59.758 58.200 0.153 0.000 1.038 273 S CB -0.471 62.770 63.200 0.069 0.000 0.872 273 S HN 0.120 nan 8.310 nan 0.000 0.456 274 V N 1.219 121.183 119.914 0.084 0.000 2.407 274 V HA -0.052 4.068 4.120 -0.000 0.000 0.245 274 V C 2.174 178.332 176.094 0.107 0.000 1.041 274 V CA 1.372 63.720 62.300 0.081 0.000 1.040 274 V CB -0.531 31.290 31.823 -0.004 0.000 0.671 274 V HN 0.419 nan 8.190 nan 0.000 0.455 275 L N 0.198 121.433 121.223 0.019 0.000 2.046 275 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 275 L C 2.451 179.459 176.870 0.230 0.000 1.077 275 L CA 2.067 56.920 54.840 0.022 0.000 0.747 275 L CB -0.878 41.042 42.059 -0.232 0.000 0.896 275 L HN 0.346 nan 8.230 nan 0.000 0.432 276 Q N -1.076 118.940 119.800 0.361 0.000 2.156 276 Q HA -0.289 4.050 4.340 -0.000 0.000 0.211 276 Q C 2.059 178.109 176.000 0.083 0.000 0.995 276 Q CA 2.236 58.239 55.803 0.334 0.000 0.877 276 Q CB -0.234 28.686 28.738 0.304 0.000 0.920 276 Q HN 0.707 nan 8.270 nan 0.000 0.416 277 H N -1.293 117.853 119.070 0.128 0.000 2.512 277 H HA 0.001 4.557 4.556 -0.000 0.000 0.279 277 H C 2.166 177.534 175.328 0.067 0.000 0.999 277 H CA 0.827 56.929 56.048 0.090 0.000 1.283 277 H CB 0.519 30.328 29.762 0.079 0.000 1.421 277 H HN 0.122 nan 8.280 nan 0.000 0.554 278 V N 1.416 121.422 119.914 0.154 0.000 2.244 278 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 278 V C 2.672 178.815 176.094 0.081 0.000 1.042 278 V CA 1.428 63.786 62.300 0.098 0.000 1.006 278 V CB -0.576 31.292 31.823 0.075 0.000 0.641 278 V HN 0.266 nan 8.190 nan 0.000 0.446 279 L N 0.027 121.312 121.223 0.103 0.000 2.093 279 L HA 0.238 4.578 4.340 -0.000 0.000 0.208 279 L C 1.110 178.015 176.870 0.058 0.000 1.085 279 L CA 1.132 56.025 54.840 0.087 0.000 0.755 279 L CB -0.794 41.343 42.059 0.129 0.000 0.904 279 L HN 0.589 nan 8.230 nan 0.000 0.435 280 G N -0.995 107.823 108.800 0.030 0.000 3.187 280 G HA2 0.219 4.179 3.960 -0.000 0.000 0.682 280 G HA3 0.219 4.179 3.960 -0.000 0.000 0.682 280 G C -0.453 174.425 174.900 -0.037 0.000 1.266 280 G CA -0.486 44.605 45.100 -0.015 0.000 0.902 280 G HN 0.311 nan 8.290 nan 0.000 0.589 281 A N 1.845 124.592 122.820 -0.122 0.000 3.699 281 A HA 1.006 5.326 4.320 -0.000 0.000 0.167 281 A C 1.706 179.289 177.584 -0.002 0.000 1.780 281 A CA 0.903 52.886 52.037 -0.089 0.000 1.483 281 A CB -0.441 18.435 19.000 -0.206 0.000 1.720 281 A HN 2.404 nan 8.150 nan 0.000 0.671 282 G N -0.554 108.268 108.800 0.038 0.000 2.631 282 G HA2 0.457 4.417 3.960 -0.000 0.000 0.271 282 G HA3 0.457 4.417 3.960 -0.000 0.000 0.271 282 G C -2.265 172.682 174.900 0.079 0.000 1.302 282 G CA -0.434 44.707 45.100 0.069 0.000 1.002 282 G HN 0.575 nan 8.290 nan 0.000 0.519 283 P HA 0.318 nan 4.420 nan 0.000 0.281 283 P C -0.562 176.892 177.300 0.257 0.000 1.249 283 P CA -0.333 62.799 63.100 0.054 0.000 0.810 283 P CB 1.389 33.082 31.700 -0.011 0.000 1.008 284 H N -0.761 118.295 119.070 -0.024 0.000 2.729 284 H HA 0.283 4.839 4.556 -0.000 0.000 0.263 284 H C 0.061 175.381 175.328 -0.014 0.000 0.961 284 H CA 0.345 56.389 56.048 -0.006 0.000 1.217 284 H CB 0.429 30.196 29.762 0.007 0.000 1.447 284 H HN 0.017 nan 8.280 nan 0.000 0.496 285 V N 1.439 121.408 119.914 0.092 0.000 2.531 285 V HA 0.155 4.275 4.120 -0.000 0.000 0.301 285 V C 0.027 176.123 176.094 0.003 0.000 1.034 285 V CA -1.413 60.909 62.300 0.037 0.000 0.865 285 V CB 2.467 34.301 31.823 0.019 0.000 0.995 285 V HN 0.073 nan 8.190 nan 0.000 0.424 286 K N 4.696 125.098 120.400 0.002 0.000 2.395 286 K HA 0.200 4.520 4.320 -0.000 0.000 0.283 286 K C 0.374 176.962 176.600 -0.020 0.000 1.068 286 K CA 0.180 56.462 56.287 -0.008 0.000 1.039 286 K CB -0.118 32.380 32.500 -0.003 0.000 0.924 286 K HN 0.636 nan 8.250 nan 0.000 0.468 287 R N 1.259 121.738 120.500 -0.035 0.000 3.322 287 R HA -0.148 4.192 4.340 -0.000 0.000 0.266 287 R C -0.023 176.241 176.300 -0.060 0.000 1.072 287 R CA 0.408 56.480 56.100 -0.047 0.000 0.715 287 R CB -1.993 28.289 30.300 -0.029 0.000 1.199 287 R HN 0.802 nan 8.270 nan 0.000 0.421 288 G N -0.420 108.328 108.800 -0.086 0.000 2.410 288 G HA2 0.377 4.337 3.960 -0.000 0.000 0.330 288 G HA3 0.377 4.337 3.960 -0.000 0.000 0.330 288 G C 0.860 175.662 174.900 -0.163 0.000 1.142 288 G CA -0.129 44.913 45.100 -0.097 0.000 0.902 288 G HN 0.218 nan 8.290 nan 0.000 0.491 289 S N -0.031 115.594 115.700 -0.125 0.000 2.515 289 S HA -0.100 4.369 4.470 -0.000 0.000 0.231 289 S C 0.891 175.361 174.600 -0.217 0.000 0.987 289 S CA 0.597 58.719 58.200 -0.131 0.000 0.936 289 S CB -0.594 62.590 63.200 -0.026 0.000 0.766 289 S HN 0.853 nan 8.310 nan 0.000 0.528 290 N N 1.147 119.712 118.700 -0.225 0.000 2.714 290 N HA -0.202 4.538 4.740 -0.000 0.000 0.253 290 N C 0.709 176.170 175.510 -0.081 0.000 1.024 290 N CA 0.486 53.411 53.050 -0.208 0.000 0.726 290 N CB -1.752 36.524 38.487 -0.351 0.000 0.908 290 N HN 0.551 nan 8.380 nan 0.000 0.542 291 A N -0.398 122.394 122.820 -0.046 0.000 2.023 291 A HA -0.307 4.013 4.320 -0.000 0.000 0.223 291 A C 2.175 179.757 177.584 -0.003 0.000 1.180 291 A CA 2.314 54.347 52.037 -0.006 0.000 0.659 291 A CB -0.665 18.329 19.000 -0.010 0.000 0.817 291 A HN 0.595 nan 8.150 nan 0.000 0.466 292 T N -1.301 113.233 114.554 -0.033 0.000 3.107 292 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 292 T C 0.763 175.453 174.700 -0.015 0.000 1.096 292 T CA 0.653 62.736 62.100 -0.027 0.000 1.012 292 T CB 0.005 68.842 68.868 -0.052 0.000 0.977 292 T HN 0.297 nan 8.240 nan 0.000 0.527 293 S N 1.193 116.893 115.700 -0.001 0.000 2.404 293 S HA 0.309 4.779 4.470 -0.000 0.000 0.309 293 S C 1.292 175.951 174.600 0.098 0.000 1.076 293 S CA -0.628 57.599 58.200 0.046 0.000 1.095 293 S CB 0.446 63.681 63.200 0.058 0.000 0.972 293 S HN 0.217 nan 8.310 nan 0.000 0.484 294 S N 4.944 120.683 115.700 0.066 0.000 2.368 294 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 294 S C 1.771 176.398 174.600 0.044 0.000 1.030 294 S CA 0.994 59.226 58.200 0.052 0.000 0.999 294 S CB -0.265 62.958 63.200 0.039 0.000 0.844 294 S HN 0.734 nan 8.310 nan 0.000 0.459 295 L N -0.670 120.579 121.223 0.045 0.000 2.056 295 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 295 L C 2.280 179.161 176.870 0.018 0.000 1.078 295 L CA 1.433 56.261 54.840 -0.020 0.000 0.749 295 L CB -0.474 41.563 42.059 -0.037 0.000 0.901 295 L HN 0.320 nan 8.230 nan 0.000 0.433 296 Y N 0.504 120.837 120.300 0.056 0.000 2.181 296 Y HA -0.280 4.270 4.550 -0.000 0.000 0.288 296 Y C 2.810 178.809 175.900 0.166 0.000 1.146 296 Y CA 1.509 59.720 58.100 0.185 0.000 1.164 296 Y CB 0.088 38.634 38.460 0.144 0.000 0.982 296 Y HN 0.182 nan 8.280 nan 0.000 0.515 297 Q N -0.572 119.372 119.800 0.240 0.000 2.123 297 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 297 Q C 2.466 178.495 176.000 0.048 0.000 0.966 297 Q CA 1.254 57.151 55.803 0.157 0.000 0.845 297 Q CB -0.771 28.036 28.738 0.115 0.000 0.907 297 Q HN 0.549 nan 8.270 nan 0.000 0.439 298 A N -0.091 122.721 122.820 -0.014 0.000 1.968 298 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 298 A C 2.337 179.820 177.584 -0.170 0.000 1.169 298 A CA 1.174 53.165 52.037 -0.077 0.000 0.638 298 A CB -0.335 18.613 19.000 -0.087 0.000 0.812 298 A HN 0.199 nan 8.150 nan 0.000 0.446 299 V N -0.403 119.340 119.914 -0.284 0.000 2.488 299 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 299 V C 3.004 178.751 176.094 -0.579 0.000 1.046 299 V CA 1.538 63.496 62.300 -0.570 0.000 1.053 299 V CB -0.921 30.344 31.823 -0.930 0.000 0.679 299 V HN 0.580 nan 8.190 nan 0.000 0.458 300 A N -0.281 122.386 122.820 -0.256 0.000 1.908 300 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 300 A C 2.311 179.908 177.584 0.022 0.000 1.181 300 A CA 2.163 54.242 52.037 0.070 0.000 0.627 300 A CB -0.525 18.655 19.000 0.300 0.000 0.818 300 A HN 0.471 nan 8.150 nan 0.000 0.445 301 K N -0.998 119.399 120.400 -0.006 0.000 2.113 301 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 301 K C 1.851 178.435 176.600 -0.028 0.000 1.047 301 K CA 1.453 57.750 56.287 0.016 0.000 0.928 301 K CB -0.361 32.137 32.500 -0.004 0.000 0.716 301 K HN 0.483 nan 8.250 nan 0.000 0.446 302 G N -0.448 108.251 108.800 -0.169 0.000 2.595 302 G HA2 0.077 4.037 3.960 -0.000 0.000 0.213 302 G HA3 0.077 4.037 3.960 -0.000 0.000 0.213 302 G C 0.035 174.603 174.900 -0.553 0.000 1.141 302 G CA -0.049 44.895 45.100 -0.260 0.000 0.806 302 G HN 0.096 nan 8.290 nan 0.000 0.530 303 V N 1.078 120.635 119.914 -0.594 0.000 2.531 303 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 303 V C -0.408 175.484 176.094 -0.336 0.000 1.034 303 V CA -0.834 61.133 62.300 -0.555 0.000 0.865 303 V CB 1.712 33.251 31.823 -0.475 0.000 0.995 303 V HN 0.326 nan 8.190 nan 0.000 0.424 304 H N 3.244 122.344 119.070 0.050 0.000 2.592 304 H HA 0.302 4.858 4.556 -0.000 0.000 0.279 304 H C 0.394 175.771 175.328 0.081 0.000 1.089 304 H CA -0.084 56.005 56.048 0.069 0.000 1.150 304 H CB 0.743 30.524 29.762 0.031 0.000 1.575 304 H HN 0.733 nan 8.280 nan 0.000 0.547 305 Q N 0.737 120.641 119.800 0.172 0.000 2.814 305 Q HA 0.465 4.805 4.340 -0.000 0.000 0.283 305 Q C -2.573 173.507 176.000 0.133 0.000 1.071 305 Q CA -2.239 53.640 55.803 0.127 0.000 0.849 305 Q CB 0.591 29.380 28.738 0.084 0.000 1.437 305 Q HN -0.094 nan 8.270 nan 0.000 0.492 306 P HA 0.022 nan 4.420 nan 0.000 0.261 306 P C -1.141 176.209 177.300 0.082 0.000 1.183 306 P CA 0.646 63.752 63.100 0.009 0.000 0.761 306 P CB -0.183 31.524 31.700 0.011 0.000 0.785 307 F N 0.075 120.003 119.950 -0.038 0.000 2.685 307 F HA 0.779 5.306 4.527 -0.000 0.000 0.315 307 F C -1.472 174.308 175.800 -0.034 0.000 1.126 307 F CA -1.243 56.705 58.000 -0.086 0.000 0.950 307 F CB 1.529 40.422 39.000 -0.179 0.000 1.360 307 F HN 0.080 nan 8.300 nan 0.000 0.469 308 D N 0.667 121.197 120.400 0.217 0.000 2.857 308 D HA 0.669 5.309 4.640 -0.000 0.000 0.227 308 D C -1.624 174.862 176.300 0.310 0.000 1.192 308 D CA -0.280 53.879 54.000 0.266 0.000 0.857 308 D CB 2.745 43.667 40.800 0.204 0.000 1.645 308 D HN 0.672 nan 8.370 nan 0.000 0.482 309 V N 0.501 120.610 119.914 0.325 0.000 2.709 309 V HA 0.852 4.972 4.120 -0.000 0.000 0.308 309 V C -0.382 175.870 176.094 0.263 0.000 1.062 309 V CA -0.832 61.601 62.300 0.221 0.000 0.901 309 V CB 1.606 33.461 31.823 0.054 0.000 1.003 309 V HN 0.506 nan 8.190 nan 0.000 0.425 310 S N 2.411 118.259 115.700 0.247 0.000 2.546 310 S HA 0.750 5.220 4.470 -0.000 0.000 0.272 310 S C -0.090 174.626 174.600 0.194 0.000 1.140 310 S CA 0.054 58.368 58.200 0.190 0.000 0.920 310 S CB 1.653 64.951 63.200 0.164 0.000 1.083 310 S HN 2.026 nan 8.310 nan 0.000 0.476 311 A N 3.819 126.699 122.820 0.100 0.000 2.591 311 A HA 0.307 4.627 4.320 -0.000 0.000 0.244 311 A C -0.336 177.232 177.584 -0.026 0.000 1.031 311 A CA 0.439 52.472 52.037 -0.006 0.000 0.767 311 A CB -0.702 18.294 19.000 -0.007 0.000 0.942 311 A HN 0.978 nan 8.150 nan 0.000 0.514 312 F N 3.911 123.687 119.950 -0.290 0.000 2.420 312 F HA 0.486 5.013 4.527 -0.000 0.000 0.342 312 F C 0.287 175.912 175.800 -0.292 0.000 1.113 312 F CA -0.601 57.267 58.000 -0.219 0.000 1.059 312 F CB 1.082 40.008 39.000 -0.124 0.000 1.128 312 F HN 0.657 nan 8.300 nan 0.000 0.475 313 N N 5.504 123.713 118.700 -0.818 0.000 2.607 313 N HA 0.470 5.210 4.740 -0.000 0.000 0.271 313 N C -1.953 173.236 175.510 -0.535 0.000 1.142 313 N CA -0.295 52.505 53.050 -0.416 0.000 0.810 313 N CB 1.176 39.726 38.487 0.105 0.000 1.306 313 N HN 0.736 nan 8.380 nan 0.000 0.536 314 A N 1.871 124.386 122.820 -0.509 0.000 2.312 314 A HA 0.673 4.993 4.320 -0.000 0.000 0.326 314 A C -0.554 176.737 177.584 -0.489 0.000 1.172 314 A CA -0.539 51.244 52.037 -0.423 0.000 0.821 314 A CB 1.500 20.458 19.000 -0.069 0.000 1.166 314 A HN 0.436 nan 8.150 nan 0.000 0.493 315 S N 0.668 115.945 115.700 -0.705 0.000 2.619 315 S HA 0.698 5.168 4.470 -0.000 0.000 0.280 315 S C -1.569 172.665 174.600 -0.610 0.000 1.150 315 S CA -0.333 57.535 58.200 -0.553 0.000 0.978 315 S CB 0.270 63.322 63.200 -0.246 0.000 1.041 315 S HN 0.506 nan 8.310 nan 0.000 0.485 316 Y N 0.997 121.319 120.300 0.037 0.000 2.686 316 Y HA 0.384 4.934 4.550 -0.000 0.000 0.330 316 Y C 1.916 177.824 175.900 0.013 0.000 1.082 316 Y CA -0.642 57.468 58.100 0.016 0.000 1.158 316 Y CB 0.544 39.000 38.460 -0.008 0.000 1.333 316 Y HN 0.636 nan 8.280 nan 0.000 0.519 317 S N -0.251 115.568 115.700 0.197 0.000 2.402 317 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 317 S C 0.546 175.204 174.600 0.097 0.000 1.030 317 S CA 2.006 60.275 58.200 0.115 0.000 1.003 317 S CB -0.363 62.898 63.200 0.102 0.000 0.813 317 S HN 0.831 nan 8.310 nan 0.000 0.477 318 D N -1.047 119.420 120.400 0.112 0.000 2.602 318 D HA 0.409 5.049 4.640 -0.000 0.000 0.265 318 D C -0.015 176.361 176.300 0.128 0.000 1.454 318 D CA -0.015 54.041 54.000 0.094 0.000 0.795 318 D CB 0.169 41.008 40.800 0.066 0.000 1.140 318 D HN 0.307 nan 8.370 nan 0.000 0.486 319 S N -1.715 114.087 115.700 0.171 0.000 2.663 319 S HA 0.662 5.132 4.470 -0.000 0.000 0.264 319 S C -1.512 173.221 174.600 0.223 0.000 1.112 319 S CA -0.139 58.199 58.200 0.230 0.000 0.823 319 S CB 1.021 64.460 63.200 0.399 0.000 1.111 319 S HN 0.626 nan 8.310 nan 0.000 0.476 320 G N 0.498 109.407 108.800 0.183 0.000 2.646 320 G HA2 0.591 4.551 3.960 -0.000 0.000 0.291 320 G HA3 0.591 4.551 3.960 -0.000 0.000 0.291 320 G C -2.233 172.740 174.900 0.121 0.000 1.445 320 G CA -0.694 44.479 45.100 0.123 0.000 0.814 320 G HN 0.751 nan 8.290 nan 0.000 0.495 321 L N 0.550 121.879 121.223 0.176 0.000 2.296 321 L HA 0.652 4.992 4.340 -0.000 0.000 0.286 321 L C -0.959 176.001 176.870 0.151 0.000 1.023 321 L CA -0.745 54.204 54.840 0.182 0.000 0.812 321 L CB 1.788 44.039 42.059 0.320 0.000 1.223 321 L HN 0.464 nan 8.230 nan 0.000 0.421 322 F N 1.754 121.655 119.950 -0.081 0.000 2.508 322 F HA 0.859 5.385 4.527 -0.000 0.000 0.325 322 F C 0.388 176.204 175.800 0.027 0.000 1.090 322 F CA 0.140 58.106 58.000 -0.056 0.000 0.945 322 F CB 1.981 40.837 39.000 -0.239 0.000 1.156 322 F HN 0.524 nan 8.300 nan 0.000 0.463 323 G N 3.419 111.720 108.800 -0.831 0.000 2.649 323 G HA2 0.348 4.308 3.960 -0.000 0.000 0.078 323 G HA3 0.348 4.308 3.960 -0.000 0.000 0.078 323 G C -1.573 172.883 174.900 -0.740 0.000 1.110 323 G CA 0.034 44.524 45.100 -1.015 0.000 1.269 323 G HN 0.950 nan 8.290 nan 0.000 0.581 324 F N -1.655 118.109 119.950 -0.309 0.000 2.686 324 F HA 0.832 5.359 4.527 -0.000 0.000 0.311 324 F C -1.722 174.091 175.800 0.022 0.000 1.128 324 F CA -1.930 55.997 58.000 -0.121 0.000 0.946 324 F CB 1.704 40.626 39.000 -0.131 0.000 1.336 324 F HN 0.591 nan 8.300 nan 0.000 0.457 325 Y N 1.683 122.130 120.300 0.244 0.000 2.338 325 Y HA 0.607 5.157 4.550 -0.000 0.000 0.333 325 Y C -0.505 175.504 175.900 0.182 0.000 0.968 325 Y CA -0.594 57.587 58.100 0.135 0.000 1.123 325 Y CB 1.694 40.220 38.460 0.110 0.000 1.165 325 Y HN 0.960 nan 8.280 nan 0.000 0.452 326 T N 4.640 119.149 114.554 -0.075 0.000 2.895 326 T HA 0.752 5.102 4.350 -0.000 0.000 0.283 326 T C -0.701 173.878 174.700 -0.201 0.000 1.014 326 T CA -0.677 61.403 62.100 -0.033 0.000 1.037 326 T CB 1.347 70.204 68.868 -0.018 0.000 1.006 326 T HN 0.524 nan 8.240 nan 0.000 0.468 327 I N 2.734 123.249 120.570 -0.091 0.000 2.447 327 I HA 0.497 4.667 4.170 -0.000 0.000 0.287 327 I C -0.227 175.849 176.117 -0.068 0.000 1.023 327 I CA -0.712 60.458 61.300 -0.218 0.000 1.083 327 I CB 2.076 39.908 38.000 -0.279 0.000 1.245 327 I HN 0.951 nan 8.210 nan 0.000 0.434 328 S N 4.297 119.949 115.700 -0.079 0.000 2.618 328 S HA 0.510 4.980 4.470 -0.000 0.000 0.277 328 S C -0.914 173.676 174.600 -0.017 0.000 1.138 328 S CA -1.190 57.002 58.200 -0.015 0.000 0.844 328 S CB 1.797 64.975 63.200 -0.038 0.000 1.127 328 S HN 0.437 nan 8.310 nan 0.000 0.474 329 Q N 0.507 120.312 119.800 0.007 0.000 2.428 329 Q HA 0.210 4.550 4.340 -0.000 0.000 0.276 329 Q C 1.624 177.628 176.000 0.007 0.000 1.059 329 Q CA 0.518 56.327 55.803 0.010 0.000 0.923 329 Q CB 0.207 28.954 28.738 0.015 0.000 1.283 329 Q HN 0.960 nan 8.270 nan 0.000 0.447 330 A N 2.215 125.047 122.820 0.021 0.000 1.917 330 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 330 A C 1.997 179.633 177.584 0.086 0.000 1.182 330 A CA 2.378 54.439 52.037 0.040 0.000 0.633 330 A CB -0.663 18.364 19.000 0.045 0.000 0.819 330 A HN 0.815 nan 8.150 nan 0.000 0.448 331 A N -0.941 121.919 122.820 0.066 0.000 1.929 331 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 331 A C 2.244 179.779 177.584 -0.082 0.000 1.176 331 A CA 1.681 53.712 52.037 -0.009 0.000 0.628 331 A CB -0.550 18.402 19.000 -0.080 0.000 0.816 331 A HN 0.476 nan 8.150 nan 0.000 0.444 332 S N 0.229 115.896 115.700 -0.055 0.000 2.561 332 S HA 0.236 4.706 4.470 -0.000 0.000 0.225 332 S C 2.008 176.566 174.600 -0.069 0.000 0.977 332 S CA 0.550 58.702 58.200 -0.080 0.000 0.926 332 S CB -0.196 62.956 63.200 -0.081 0.000 0.769 332 S HN 0.744 nan 8.310 nan 0.000 0.533 333 A N 2.338 125.139 122.820 -0.031 0.000 1.881 333 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 333 A C 2.367 179.928 177.584 -0.039 0.000 1.215 333 A CA 2.021 54.037 52.037 -0.036 0.000 0.648 333 A CB -1.651 17.338 19.000 -0.020 0.000 0.832 333 A HN 0.528 nan 8.150 nan 0.000 0.455 334 G N -0.692 108.100 108.800 -0.013 0.000 2.440 334 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 334 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 334 G C 1.146 176.026 174.900 -0.034 0.000 1.154 334 G CA 1.370 46.467 45.100 -0.005 0.000 0.767 334 G HN 0.498 nan 8.290 nan 0.000 0.552 335 D N 0.191 120.547 120.400 -0.075 0.000 2.097 335 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 335 D C 2.818 179.020 176.300 -0.164 0.000 0.984 335 D CA 0.764 54.695 54.000 -0.115 0.000 0.826 335 D CB -0.652 40.061 40.800 -0.144 0.000 0.973 335 D HN 0.179 nan 8.370 nan 0.000 0.460 336 V N 1.241 121.034 119.914 -0.201 0.000 2.252 336 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 336 V C 2.530 178.510 176.094 -0.189 0.000 1.056 336 V CA 1.427 63.563 62.300 -0.273 0.000 1.022 336 V CB -0.471 31.198 31.823 -0.256 0.000 0.641 336 V HN 0.182 nan 8.190 nan 0.000 0.445 337 I N -0.633 119.898 120.570 -0.066 0.000 2.142 337 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 337 I C 2.580 178.762 176.117 0.108 0.000 1.078 337 I CA 1.690 63.033 61.300 0.073 0.000 1.343 337 I CB -0.421 37.641 38.000 0.103 0.000 1.046 337 I HN 0.258 nan 8.210 nan 0.000 0.405 338 K N 0.820 121.262 120.400 0.070 0.000 2.097 338 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 338 K C 2.249 178.859 176.600 0.017 0.000 1.049 338 K CA 1.455 57.801 56.287 0.098 0.000 0.933 338 K CB -0.307 32.225 32.500 0.054 0.000 0.717 338 K HN 0.315 nan 8.250 nan 0.000 0.442 339 A N 1.771 124.539 122.820 -0.087 0.000 1.902 339 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 339 A C 2.409 179.884 177.584 -0.182 0.000 1.181 339 A CA 1.896 53.843 52.037 -0.149 0.000 0.623 339 A CB -0.628 18.231 19.000 -0.235 0.000 0.818 339 A HN 0.337 nan 8.150 nan 0.000 0.443 340 A N -1.498 121.152 122.820 -0.284 0.000 1.873 340 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 340 A C 2.199 179.550 177.584 -0.389 0.000 1.186 340 A CA 1.678 53.376 52.037 -0.566 0.000 0.616 340 A CB -0.811 17.508 19.000 -1.135 0.000 0.823 340 A HN 0.667 nan 8.150 nan 0.000 0.442 341 Y N 1.425 121.608 120.300 -0.194 0.000 2.163 341 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 341 Y C 2.044 178.045 175.900 0.169 0.000 1.136 341 Y CA 1.500 59.753 58.100 0.254 0.000 1.147 341 Y CB -1.144 37.549 38.460 0.388 0.000 0.987 341 Y HN 0.480 nan 8.280 nan 0.000 0.509 342 N N -0.291 118.444 118.700 0.057 0.000 2.060 342 N HA -0.322 4.418 4.740 -0.000 0.000 0.195 342 N C 1.812 177.319 175.510 -0.004 0.000 1.028 342 N CA 1.436 54.450 53.050 -0.061 0.000 0.861 342 N CB -0.275 38.176 38.487 -0.060 0.000 1.029 342 N HN 0.312 nan 8.380 nan 0.000 0.428 343 Q N 1.389 121.191 119.800 0.004 0.000 2.119 343 Q HA -0.073 4.267 4.340 -0.000 0.000 0.201 343 Q C 1.846 177.885 176.000 0.065 0.000 0.972 343 Q CA 1.259 57.062 55.803 0.000 0.000 0.847 343 Q CB -0.256 28.450 28.738 -0.054 0.000 0.903 343 Q HN 0.237 nan 8.270 nan 0.000 0.433 344 V N 0.808 120.814 119.914 0.153 0.000 2.255 344 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 344 V C 2.248 178.480 176.094 0.228 0.000 1.051 344 V CA 2.305 64.769 62.300 0.273 0.000 1.018 344 V CB -0.768 31.385 31.823 0.550 0.000 0.641 344 V HN 0.317 nan 8.190 nan 0.000 0.445 345 K N -0.311 120.192 120.400 0.173 0.000 2.173 345 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 345 K C 2.325 178.946 176.600 0.034 0.000 1.046 345 K CA 1.970 58.287 56.287 0.051 0.000 0.929 345 K CB -0.456 31.976 32.500 -0.113 0.000 0.720 345 K HN 0.446 nan 8.250 nan 0.000 0.453 346 T N 0.543 115.115 114.554 0.031 0.000 2.915 346 T HA -0.018 4.331 4.350 -0.000 0.000 0.269 346 T C 1.625 176.342 174.700 0.028 0.000 1.071 346 T CA 0.843 62.954 62.100 0.017 0.000 1.132 346 T CB -0.025 68.846 68.868 0.006 0.000 0.878 346 T HN 0.111 nan 8.240 nan 0.000 0.479 347 I N 0.866 121.466 120.570 0.050 0.000 2.333 347 I HA 0.013 4.183 4.170 -0.000 0.000 0.246 347 I C 2.751 178.890 176.117 0.037 0.000 1.106 347 I CA 0.829 62.155 61.300 0.043 0.000 1.411 347 I CB -0.365 37.669 38.000 0.058 0.000 1.082 347 I HN 0.125 nan 8.210 nan 0.000 0.420 348 A N 0.182 123.039 122.820 0.062 0.000 1.948 348 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 348 A C 2.223 179.821 177.584 0.023 0.000 1.177 348 A CA 1.812 53.878 52.037 0.050 0.000 0.636 348 A CB -0.657 18.395 19.000 0.085 0.000 0.815 348 A HN 0.516 nan 8.150 nan 0.000 0.449 349 Q N -2.251 117.559 119.800 0.017 0.000 2.435 349 Q HA 0.222 4.562 4.340 -0.000 0.000 0.207 349 Q C 1.190 177.191 176.000 0.002 0.000 0.956 349 Q CA 0.587 56.393 55.803 0.005 0.000 0.917 349 Q CB 0.069 28.806 28.738 -0.001 0.000 0.997 349 Q HN 0.927 nan 8.270 nan 0.000 0.497 350 G N 0.821 109.624 108.800 0.004 0.000 2.175 350 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.182 350 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.182 350 G C -0.568 174.332 174.900 -0.001 0.000 1.003 350 G CA -0.454 44.645 45.100 -0.002 0.000 0.666 350 G HN 0.298 nan 8.290 nan 0.000 0.506 351 N N 0.497 119.199 118.700 0.003 0.000 2.605 351 N HA 0.548 5.288 4.740 -0.000 0.000 0.258 351 N C -0.552 174.962 175.510 0.006 0.000 1.156 351 N CA 0.122 53.174 53.050 0.004 0.000 1.008 351 N CB 1.084 39.573 38.487 0.004 0.000 1.354 351 N HN 0.428 nan 8.380 nan 0.000 0.509 352 L N 1.244 122.469 121.223 0.003 0.000 2.596 352 L HA 0.372 4.712 4.340 -0.000 0.000 0.265 352 L C -0.438 176.432 176.870 0.001 0.000 0.962 352 L CA -0.509 54.333 54.840 0.003 0.000 0.891 352 L CB 1.451 43.509 42.059 -0.001 0.000 1.248 352 L HN 0.344 nan 8.230 nan 0.000 0.410 353 S N 3.213 118.915 115.700 0.004 0.000 2.584 353 S HA 0.217 4.687 4.470 -0.000 0.000 0.273 353 S C 0.950 175.551 174.600 0.001 0.000 1.311 353 S CA 0.093 58.294 58.200 0.002 0.000 1.034 353 S CB 0.942 64.145 63.200 0.005 0.000 0.939 353 S HN 0.858 nan 8.310 nan 0.000 0.513 354 N N 3.189 121.888 118.700 -0.001 0.000 2.120 354 N HA -0.053 4.687 4.740 -0.000 0.000 0.188 354 N C -0.916 174.594 175.510 0.001 0.000 1.024 354 N CA 1.334 54.383 53.050 -0.003 0.000 0.852 354 N CB -1.003 37.481 38.487 -0.005 0.000 1.003 354 N HN 0.567 nan 8.380 nan 0.000 0.424 355 P HA -0.066 nan 4.420 nan 0.000 0.220 355 P C 0.564 177.871 177.300 0.011 0.000 1.148 355 P CA 1.121 64.225 63.100 0.006 0.000 0.803 355 P CB -0.044 31.660 31.700 0.006 0.000 0.782 356 D N 0.143 120.550 120.400 0.011 0.000 2.078 356 D HA -0.115 4.525 4.640 -0.000 0.000 0.193 356 D C 2.172 178.484 176.300 0.020 0.000 0.990 356 D CA 1.190 55.201 54.000 0.017 0.000 0.827 356 D CB -0.975 39.836 40.800 0.018 0.000 0.975 356 D HN -0.002 nan 8.370 nan 0.000 0.451 357 V N 1.027 120.948 119.914 0.012 0.000 2.324 357 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 357 V C 2.494 178.592 176.094 0.007 0.000 1.060 357 V CA 1.501 63.806 62.300 0.007 0.000 1.042 357 V CB -0.645 31.174 31.823 -0.007 0.000 0.650 357 V HN 0.072 nan 8.190 nan 0.000 0.450 358 Q N 0.260 120.063 119.800 0.005 0.000 2.061 358 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 358 Q C 2.406 178.414 176.000 0.012 0.000 0.984 358 Q CA 2.297 58.103 55.803 0.004 0.000 0.846 358 Q CB -1.028 27.712 28.738 0.003 0.000 0.902 358 Q HN 0.663 nan 8.270 nan 0.000 0.421 359 A N 0.270 123.102 122.820 0.021 0.000 1.877 359 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 359 A C 2.258 179.871 177.584 0.047 0.000 1.186 359 A CA 2.180 54.236 52.037 0.032 0.000 0.620 359 A CB -0.925 18.094 19.000 0.032 0.000 0.822 359 A HN 0.390 nan 8.150 nan 0.000 0.443 360 A N -0.524 122.330 122.820 0.057 0.000 1.933 360 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 360 A C 2.088 179.677 177.584 0.008 0.000 1.175 360 A CA 2.089 54.181 52.037 0.092 0.000 0.628 360 A CB -0.412 18.659 19.000 0.119 0.000 0.814 360 A HN 0.515 nan 8.150 nan 0.000 0.444 361 K N 0.173 120.568 120.400 -0.009 0.000 2.009 361 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 361 K C 1.744 178.317 176.600 -0.045 0.000 1.049 361 K CA 2.077 58.340 56.287 -0.040 0.000 0.929 361 K CB -0.335 32.150 32.500 -0.025 0.000 0.714 361 K HN 0.735 nan 8.250 nan 0.000 0.440 362 N N 0.354 119.047 118.700 -0.012 0.000 2.166 362 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 362 N C 1.414 176.928 175.510 0.006 0.000 1.019 362 N CA 1.041 54.092 53.050 0.001 0.000 0.856 362 N CB -0.016 38.483 38.487 0.019 0.000 0.993 362 N HN 0.101 nan 8.380 nan 0.000 0.426 363 K N 0.356 120.773 120.400 0.027 0.000 2.032 363 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 363 K C 1.916 178.420 176.600 -0.159 0.000 1.048 363 K CA 0.972 57.304 56.287 0.074 0.000 0.927 363 K CB -0.313 32.349 32.500 0.269 0.000 0.712 363 K HN 0.094 nan 8.250 nan 0.000 0.441 364 L N 1.939 122.900 121.223 -0.437 0.000 1.976 364 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 364 L C 1.931 178.712 176.870 -0.148 0.000 1.071 364 L CA 1.867 56.389 54.840 -0.531 0.000 0.746 364 L CB -0.432 41.341 42.059 -0.476 0.000 0.890 364 L HN -0.018 nan 8.230 nan 0.000 0.432 365 K N -0.573 119.781 120.400 -0.076 0.000 2.020 365 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 365 K C 2.088 178.719 176.600 0.052 0.000 1.050 365 K CA 1.870 58.169 56.287 0.020 0.000 0.929 365 K CB -0.584 31.920 32.500 0.006 0.000 0.714 365 K HN 0.493 nan 8.250 nan 0.000 0.443 366 A N 0.662 123.488 122.820 0.010 0.000 1.933 366 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 366 A C 2.395 179.980 177.584 0.003 0.000 1.175 366 A CA 1.979 54.019 52.037 0.004 0.000 0.628 366 A CB -1.230 17.767 19.000 -0.006 0.000 0.814 366 A HN 0.464 nan 8.150 nan 0.000 0.444 367 G N -1.732 107.074 108.800 0.011 0.000 2.422 367 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 367 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 367 G C 1.524 176.474 174.900 0.083 0.000 1.146 367 G CA 1.260 46.382 45.100 0.036 0.000 0.769 367 G HN 0.534 nan 8.290 nan 0.000 0.547 368 Y N 1.445 121.732 120.300 -0.023 0.000 2.089 368 Y HA -0.072 4.478 4.550 -0.000 0.000 0.282 368 Y C 2.669 178.576 175.900 0.011 0.000 1.139 368 Y CA 1.431 59.527 58.100 -0.007 0.000 1.123 368 Y CB -0.645 37.801 38.460 -0.022 0.000 0.980 368 Y HN 0.113 nan 8.280 nan 0.000 0.493 369 L N -0.743 120.403 121.223 -0.128 0.000 2.043 369 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 369 L C 2.601 179.381 176.870 -0.149 0.000 1.075 369 L CA 1.892 56.616 54.840 -0.193 0.000 0.752 369 L CB -0.683 41.340 42.059 -0.060 0.000 0.891 369 L HN 0.283 nan 8.230 nan 0.000 0.432 370 M N -0.150 119.400 119.600 -0.083 0.000 2.108 370 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 370 M C 2.637 178.902 176.300 -0.058 0.000 1.066 370 M CA 2.158 57.422 55.300 -0.059 0.000 1.107 370 M CB -0.269 32.306 32.600 -0.042 0.000 1.356 370 M HN 0.398 nan 8.290 nan 0.000 0.406 371 S N -0.564 115.097 115.700 -0.066 0.000 2.423 371 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 371 S C 1.414 175.990 174.600 -0.040 0.000 1.014 371 S CA 1.135 59.317 58.200 -0.030 0.000 0.965 371 S CB -0.827 62.387 63.200 0.023 0.000 0.785 371 S HN 0.434 nan 8.310 nan 0.000 0.495 372 V N -1.477 118.370 119.914 -0.112 0.000 3.514 372 V HA 0.406 4.525 4.120 -0.000 0.000 0.301 372 V C 1.770 177.885 176.094 0.036 0.000 1.346 372 V CA 0.254 62.545 62.300 -0.014 0.000 1.156 372 V CB -0.743 31.046 31.823 -0.057 0.000 1.029 372 V HN 0.360 nan 8.190 nan 0.000 0.428 373 E N 2.064 122.257 120.200 -0.011 0.000 2.072 373 E HA -0.060 4.289 4.350 -0.000 0.000 0.191 373 E C 1.322 177.917 176.600 -0.009 0.000 0.985 373 E CA 1.260 57.646 56.400 -0.024 0.000 0.801 373 E CB 0.155 29.839 29.700 -0.027 0.000 0.750 373 E HN 0.850 nan 8.360 nan 0.000 0.452 374 S N -1.297 114.419 115.700 0.025 0.000 2.690 374 S HA 0.269 4.738 4.470 -0.000 0.000 0.291 374 S C 0.915 175.564 174.600 0.082 0.000 1.138 374 S CA -0.665 57.556 58.200 0.034 0.000 1.013 374 S CB 1.961 65.181 63.200 0.034 0.000 1.053 374 S HN -0.053 nan 8.310 nan 0.000 0.539 375 S N 0.659 116.404 115.700 0.074 0.000 2.356 375 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 375 S C 1.739 176.436 174.600 0.161 0.000 1.032 375 S CA 1.298 59.572 58.200 0.123 0.000 1.005 375 S CB -0.591 62.658 63.200 0.081 0.000 0.867 375 S HN 0.850 nan 8.310 nan 0.000 0.449 376 E N 0.555 120.822 120.200 0.111 0.000 2.118 376 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 376 E C 2.096 178.769 176.600 0.122 0.000 0.992 376 E CA 1.213 57.676 56.400 0.105 0.000 0.804 376 E CB -0.296 29.446 29.700 0.070 0.000 0.741 376 E HN 0.543 nan 8.360 nan 0.000 0.458 377 G N 0.224 109.097 108.800 0.121 0.000 2.417 377 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.212 377 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.212 377 G C 1.333 176.313 174.900 0.134 0.000 1.187 377 G CA 0.338 45.505 45.100 0.110 0.000 0.804 377 G HN 0.307 nan 8.290 nan 0.000 0.534 378 F N 1.255 121.218 119.950 0.022 0.000 2.043 378 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 378 F C 2.382 178.212 175.800 0.051 0.000 1.121 378 F CA 1.698 59.713 58.000 0.025 0.000 1.199 378 F CB -0.519 38.486 39.000 0.008 0.000 0.968 378 F HN 0.093 nan 8.300 nan 0.000 0.478 379 L N 0.704 121.981 121.223 0.090 0.000 2.089 379 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 379 L C 2.006 178.892 176.870 0.026 0.000 1.079 379 L CA 2.541 57.407 54.840 0.043 0.000 0.758 379 L CB -0.915 41.274 42.059 0.217 0.000 0.891 379 L HN 0.353 nan 8.230 nan 0.000 0.433 380 D N -1.272 119.190 120.400 0.102 0.000 2.097 380 D HA -0.242 4.398 4.640 -0.000 0.000 0.197 380 D C 2.068 178.318 176.300 -0.084 0.000 0.984 380 D CA 1.115 55.193 54.000 0.129 0.000 0.826 380 D CB -0.009 40.893 40.800 0.171 0.000 0.973 380 D HN 0.394 nan 8.370 nan 0.000 0.460 381 E N -0.039 120.107 120.200 -0.090 0.000 2.049 381 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 381 E C 2.079 178.564 176.600 -0.192 0.000 1.007 381 E CA 1.607 57.953 56.400 -0.090 0.000 0.809 381 E CB -0.528 29.157 29.700 -0.025 0.000 0.749 381 E HN 0.238 nan 8.360 nan 0.000 0.450 382 V N 0.417 120.126 119.914 -0.343 0.000 2.295 382 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 382 V C 2.401 178.255 176.094 -0.401 0.000 1.049 382 V CA 1.937 64.048 62.300 -0.315 0.000 1.024 382 V CB -1.458 30.078 31.823 -0.479 0.000 0.648 382 V HN 0.508 nan 8.190 nan 0.000 0.447 383 G N 0.403 108.698 108.800 -0.841 0.000 2.547 383 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.221 383 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.221 383 G C 1.715 176.140 174.900 -0.792 0.000 1.140 383 G CA 1.749 45.850 45.100 -1.665 0.000 0.760 383 G HN 0.618 nan 8.290 nan 0.000 0.583 384 S N -0.424 115.008 115.700 -0.447 0.000 2.441 384 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 384 S C 2.051 176.601 174.600 -0.083 0.000 1.043 384 S CA 0.806 58.910 58.200 -0.160 0.000 0.948 384 S CB -0.259 62.908 63.200 -0.054 0.000 0.810 384 S HN 0.472 nan 8.310 nan 0.000 0.504 385 Q N 1.570 121.317 119.800 -0.087 0.000 2.047 385 Q HA -0.237 4.103 4.340 -0.000 0.000 0.211 385 Q C 2.461 178.465 176.000 0.007 0.000 1.005 385 Q CA 1.946 57.725 55.803 -0.040 0.000 0.866 385 Q CB -0.565 28.156 28.738 -0.027 0.000 0.938 385 Q HN 0.655 nan 8.270 nan 0.000 0.414 386 A N 0.269 123.109 122.820 0.033 0.000 1.917 386 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 386 A C 1.973 179.607 177.584 0.084 0.000 1.182 386 A CA 1.631 53.748 52.037 0.134 0.000 0.633 386 A CB -0.714 18.344 19.000 0.096 0.000 0.819 386 A HN 0.399 nan 8.150 nan 0.000 0.448 387 L N -1.745 119.495 121.223 0.029 0.000 2.209 387 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 387 L C 2.841 179.746 176.870 0.058 0.000 1.094 387 L CA 0.787 55.658 54.840 0.052 0.000 0.790 387 L CB -0.308 41.790 42.059 0.065 0.000 0.932 387 L HN 0.416 nan 8.230 nan 0.000 0.447 388 A N -0.625 122.220 122.820 0.043 0.000 2.081 388 A HA 0.309 4.629 4.320 -0.000 0.000 0.214 388 A C 2.131 179.736 177.584 0.034 0.000 1.158 388 A CA 1.178 53.241 52.037 0.043 0.000 0.724 388 A CB -0.082 18.938 19.000 0.034 0.000 0.826 388 A HN 0.332 nan 8.150 nan 0.000 0.463 389 A N -2.597 120.241 122.820 0.029 0.000 2.066 389 A HA 0.466 4.786 4.320 -0.000 0.000 0.198 389 A C 1.706 179.313 177.584 0.038 0.000 1.405 389 A CA 1.111 53.155 52.037 0.012 0.000 0.973 389 A CB -0.318 18.665 19.000 -0.029 0.000 1.026 389 A HN 1.789 nan 8.150 nan 0.000 0.474 390 G N -0.019 108.836 108.800 0.092 0.000 2.160 390 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.251 390 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.251 390 G C 0.183 175.213 174.900 0.218 0.000 1.008 390 G CA 0.688 45.898 45.100 0.184 0.000 0.724 390 G HN 1.510 nan 8.290 nan 0.000 0.514 391 S N -1.603 114.098 115.700 0.000 0.000 2.685 391 S HA 0.740 5.210 4.470 -0.000 0.000 0.282 391 S C -1.069 173.197 174.600 -0.557 0.000 1.159 391 S CA -1.011 56.895 58.200 -0.490 0.000 0.833 391 S CB 2.255 65.278 63.200 -0.294 0.000 1.151 391 S HN 1.097 nan 8.310 nan 0.000 0.485 392 Y N 0.695 120.458 120.300 -0.895 0.000 2.446 392 Y HA 0.651 5.201 4.550 -0.000 0.000 0.338 392 Y C -0.802 174.941 175.900 -0.262 0.000 1.055 392 Y CA -0.402 57.451 58.100 -0.413 0.000 1.101 392 Y CB 2.078 40.356 38.460 -0.302 0.000 1.221 392 Y HN 0.720 nan 8.280 nan 0.000 0.460 393 T N 7.859 121.878 114.554 -0.891 0.000 3.133 393 T HA 0.277 4.626 4.350 -0.000 0.000 0.368 393 T C -2.906 171.362 174.700 -0.719 0.000 1.190 393 T CA -1.207 60.527 62.100 -0.609 0.000 1.282 393 T CB 0.725 69.384 68.868 -0.349 0.000 1.042 393 T HN 0.394 nan 8.240 nan 0.000 0.536 394 P HA 0.089 nan 4.420 nan 0.000 0.267 394 P C -1.752 175.500 177.300 -0.080 0.000 1.201 394 P CA -1.037 61.867 63.100 -0.328 0.000 0.775 394 P CB 0.345 32.011 31.700 -0.055 0.000 0.854 395 P HA -0.297 nan 4.420 nan 0.000 0.222 395 P C 1.512 178.861 177.300 0.083 0.000 1.159 395 P CA 2.237 65.438 63.100 0.169 0.000 0.920 395 P CB -0.727 31.046 31.700 0.122 0.000 0.793 396 S N -0.776 114.949 115.700 0.042 0.000 2.380 396 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 396 S C 2.108 176.704 174.600 -0.007 0.000 1.043 396 S CA 2.392 60.603 58.200 0.018 0.000 1.038 396 S CB -1.957 61.252 63.200 0.015 0.000 0.872 396 S HN 0.440 nan 8.310 nan 0.000 0.456 397 T N 0.330 114.864 114.554 -0.033 0.000 3.051 397 T HA 0.163 4.513 4.350 -0.000 0.000 0.255 397 T C 1.671 176.321 174.700 -0.084 0.000 1.085 397 T CA 0.607 62.670 62.100 -0.062 0.000 1.109 397 T CB -0.411 68.410 68.868 -0.079 0.000 0.921 397 T HN 0.202 nan 8.240 nan 0.000 0.488 398 V N 2.086 121.948 119.914 -0.087 0.000 2.270 398 V HA -0.028 4.092 4.120 -0.000 0.000 0.245 398 V C 2.760 178.787 176.094 -0.112 0.000 1.043 398 V CA 1.671 63.881 62.300 -0.151 0.000 1.014 398 V CB -0.712 30.954 31.823 -0.261 0.000 0.645 398 V HN 0.488 nan 8.190 nan 0.000 0.447 399 L N -0.007 121.196 121.223 -0.033 0.000 2.127 399 L HA -0.275 4.065 4.340 -0.000 0.000 0.211 399 L C 2.626 179.474 176.870 -0.036 0.000 1.089 399 L CA 2.142 56.971 54.840 -0.019 0.000 0.757 399 L CB -0.804 41.267 42.059 0.020 0.000 0.899 399 L HN 0.468 nan 8.230 nan 0.000 0.434 400 Q N 0.520 120.297 119.800 -0.038 0.000 2.050 400 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 400 Q C 2.243 178.213 176.000 -0.050 0.000 0.980 400 Q CA 1.824 57.604 55.803 -0.038 0.000 0.840 400 Q CB -0.047 28.669 28.738 -0.037 0.000 0.898 400 Q HN 0.483 nan 8.270 nan 0.000 0.424 401 Q N 0.075 119.834 119.800 -0.068 0.000 2.119 401 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 401 Q C 2.077 178.033 176.000 -0.074 0.000 0.972 401 Q CA 1.626 57.384 55.803 -0.074 0.000 0.847 401 Q CB -0.029 28.651 28.738 -0.096 0.000 0.903 401 Q HN 0.491 nan 8.270 nan 0.000 0.433 402 I N 0.854 121.374 120.570 -0.082 0.000 2.163 402 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 402 I C 1.565 177.649 176.117 -0.055 0.000 1.085 402 I CA 1.126 62.381 61.300 -0.075 0.000 1.347 402 I CB -0.299 37.651 38.000 -0.082 0.000 1.044 402 I HN 0.182 nan 8.210 nan 0.000 0.408 403 D N 1.051 121.424 120.400 -0.045 0.000 2.221 403 D HA -0.143 4.497 4.640 -0.000 0.000 0.204 403 D C 2.150 178.429 176.300 -0.035 0.000 0.982 403 D CA 1.435 55.414 54.000 -0.035 0.000 0.857 403 D CB -0.051 40.733 40.800 -0.027 0.000 0.934 403 D HN 0.385 nan 8.370 nan 0.000 0.475 404 A N 0.560 123.356 122.820 -0.041 0.000 2.119 404 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 404 A C 1.235 178.794 177.584 -0.041 0.000 1.153 404 A CA 0.095 52.109 52.037 -0.039 0.000 0.692 404 A CB -0.080 18.896 19.000 -0.041 0.000 0.799 404 A HN 0.052 nan 8.150 nan 0.000 0.458 405 V N 1.260 121.146 119.914 -0.046 0.000 2.509 405 V HA 0.255 4.375 4.120 -0.000 0.000 0.297 405 V C 0.910 176.976 176.094 -0.047 0.000 1.014 405 V CA 0.047 62.316 62.300 -0.052 0.000 1.127 405 V CB -0.166 31.622 31.823 -0.058 0.000 0.925 405 V HN 0.505 nan 8.190 nan 0.000 0.480 406 A N 3.824 126.614 122.820 -0.050 0.000 2.363 406 A HA 0.327 4.647 4.320 -0.000 0.000 0.270 406 A C 1.098 178.651 177.584 -0.052 0.000 1.121 406 A CA -0.479 51.531 52.037 -0.045 0.000 0.800 406 A CB 0.142 19.117 19.000 -0.041 0.000 1.052 406 A HN 0.888 nan 8.150 nan 0.000 0.493 407 D N 1.975 122.350 120.400 -0.041 0.000 2.218 407 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 407 D C 2.047 178.317 176.300 -0.050 0.000 1.007 407 D CA 2.533 56.508 54.000 -0.040 0.000 0.879 407 D CB -0.055 40.728 40.800 -0.028 0.000 0.918 407 D HN 0.678 nan 8.370 nan 0.000 0.449 408 A N 0.650 123.441 122.820 -0.049 0.000 1.897 408 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 408 A C 1.742 179.280 177.584 -0.075 0.000 1.181 408 A CA 1.626 53.632 52.037 -0.052 0.000 0.620 408 A CB -0.304 18.671 19.000 -0.040 0.000 0.821 408 A HN 0.099 nan 8.150 nan 0.000 0.443 409 D N 0.153 120.501 120.400 -0.086 0.000 2.144 409 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 409 D C 2.014 178.201 176.300 -0.189 0.000 0.984 409 D CA 1.452 55.379 54.000 -0.122 0.000 0.834 409 D CB -0.663 40.070 40.800 -0.111 0.000 0.955 409 D HN 0.248 nan 8.370 nan 0.000 0.465 410 V N 1.216 121.029 119.914 -0.169 0.000 2.343 410 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 410 V C 2.584 178.565 176.094 -0.189 0.000 1.051 410 V CA 1.023 63.199 62.300 -0.205 0.000 1.036 410 V CB -0.412 31.336 31.823 -0.125 0.000 0.654 410 V HN 0.106 nan 8.190 nan 0.000 0.451 411 I N 0.554 121.055 120.570 -0.116 0.000 2.151 411 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 411 I C 2.404 178.463 176.117 -0.097 0.000 1.080 411 I CA 1.700 62.953 61.300 -0.078 0.000 1.339 411 I CB -0.483 37.489 38.000 -0.047 0.000 1.039 411 I HN 0.353 nan 8.210 nan 0.000 0.409 412 N N 0.687 119.313 118.700 -0.124 0.000 2.188 412 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 412 N C 1.927 177.323 175.510 -0.190 0.000 1.018 412 N CA 1.454 54.435 53.050 -0.116 0.000 0.858 412 N CB -0.360 38.066 38.487 -0.103 0.000 0.989 412 N HN 0.378 nan 8.380 nan 0.000 0.426 413 A N 1.351 123.925 122.820 -0.411 0.000 1.873 413 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 413 A C 2.403 179.704 177.584 -0.472 0.000 1.193 413 A CA 2.357 53.841 52.037 -0.921 0.000 0.629 413 A CB -0.952 17.151 19.000 -1.494 0.000 0.826 413 A HN 0.343 nan 8.150 nan 0.000 0.447 414 A N -0.803 121.876 122.820 -0.234 0.000 1.898 414 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 414 A C 2.096 179.791 177.584 0.186 0.000 1.181 414 A CA 1.643 53.720 52.037 0.066 0.000 0.620 414 A CB -0.423 18.620 19.000 0.071 0.000 0.819 414 A HN 0.474 nan 8.150 nan 0.000 0.442 415 K N -0.191 120.255 120.400 0.076 0.000 2.089 415 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 415 K C 2.132 178.805 176.600 0.122 0.000 1.048 415 K CA 1.850 58.186 56.287 0.082 0.000 0.926 415 K CB -0.211 32.305 32.500 0.027 0.000 0.714 415 K HN 0.544 nan 8.250 nan 0.000 0.448 416 K N 0.155 120.642 120.400 0.146 0.000 2.025 416 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 416 K C 2.141 178.909 176.600 0.280 0.000 1.049 416 K CA 0.964 57.372 56.287 0.202 0.000 0.933 416 K CB -0.219 32.442 32.500 0.269 0.000 0.714 416 K HN 0.001 nan 8.250 nan 0.000 0.438 417 F N 1.572 121.692 119.950 0.283 0.000 2.065 417 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 417 F C 1.781 177.740 175.800 0.265 0.000 1.112 417 F CA 1.522 59.713 58.000 0.319 0.000 1.212 417 F CB -0.570 38.732 39.000 0.503 0.000 0.975 417 F HN -0.205 nan 8.300 nan 0.000 0.476 418 V N 0.291 120.268 119.914 0.106 0.000 2.407 418 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 418 V C 2.371 178.454 176.094 -0.017 0.000 1.055 418 V CA 2.149 64.463 62.300 0.023 0.000 1.049 418 V CB -1.088 30.817 31.823 0.136 0.000 0.662 418 V HN 0.596 nan 8.190 nan 0.000 0.455 419 S N -0.577 115.132 115.700 0.015 0.000 2.556 419 S HA 0.274 4.744 4.470 -0.000 0.000 0.216 419 S C 0.933 175.534 174.600 0.001 0.000 0.970 419 S CA 0.268 58.476 58.200 0.013 0.000 0.912 419 S CB 0.274 63.491 63.200 0.029 0.000 0.790 419 S HN 0.534 nan 8.310 nan 0.000 0.504 420 G N 1.223 110.010 108.800 -0.021 0.000 2.371 420 G HA2 0.555 4.515 3.960 -0.000 0.000 0.326 420 G HA3 0.555 4.515 3.960 -0.000 0.000 0.326 420 G C -0.586 174.302 174.900 -0.020 0.000 1.127 420 G CA -1.193 43.900 45.100 -0.012 0.000 0.885 420 G HN 0.352 nan 8.290 nan 0.000 0.477 421 R N 0.859 121.380 120.500 0.035 0.000 2.537 421 R HA 0.178 4.518 4.340 -0.000 0.000 0.281 421 R C 0.233 176.594 176.300 0.103 0.000 0.988 421 R CA 0.495 56.632 56.100 0.060 0.000 1.077 421 R CB 0.271 30.638 30.300 0.112 0.000 0.932 421 R HN 0.419 nan 8.270 nan 0.000 0.409 422 K N 1.082 121.483 120.400 0.003 0.000 2.139 422 K HA 0.448 4.768 4.320 -0.000 0.000 0.243 422 K C -1.025 175.540 176.600 -0.059 0.000 0.983 422 K CA -0.454 55.813 56.287 -0.033 0.000 0.890 422 K CB 1.954 34.367 32.500 -0.146 0.000 1.090 422 K HN 0.515 nan 8.250 nan 0.000 0.445 423 S N 1.166 116.825 115.700 -0.067 0.000 2.547 423 S HA 0.523 4.992 4.470 -0.000 0.000 0.281 423 S C -1.295 173.210 174.600 -0.159 0.000 1.118 423 S CA -0.777 57.340 58.200 -0.138 0.000 0.947 423 S CB 1.067 64.179 63.200 -0.146 0.000 1.053 423 S HN 0.443 nan 8.310 nan 0.000 0.482 424 M N 2.571 122.073 119.600 -0.164 0.000 2.457 424 M HA 0.740 5.220 4.480 -0.000 0.000 0.300 424 M C -1.525 174.680 176.300 -0.159 0.000 1.141 424 M CA -0.578 54.615 55.300 -0.178 0.000 0.901 424 M CB 2.042 34.544 32.600 -0.163 0.000 1.687 424 M HN 0.812 nan 8.290 nan 0.000 0.449 425 A N 2.539 125.256 122.820 -0.172 0.000 2.455 425 A HA 0.970 5.290 4.320 -0.000 0.000 0.300 425 A C -1.681 175.811 177.584 -0.153 0.000 1.040 425 A CA -0.443 51.513 52.037 -0.134 0.000 0.697 425 A CB 1.664 20.610 19.000 -0.090 0.000 1.265 425 A HN 0.967 nan 8.150 nan 0.000 0.407 426 A N 1.000 123.738 122.820 -0.135 0.000 2.574 426 A HA 0.944 5.264 4.320 -0.000 0.000 0.297 426 A C -0.518 177.001 177.584 -0.109 0.000 1.062 426 A CA 0.114 52.067 52.037 -0.140 0.000 0.686 426 A CB 1.371 20.268 19.000 -0.172 0.000 1.285 426 A HN 2.401 nan 8.150 nan 0.000 0.403 427 S N 0.135 115.784 115.700 -0.084 0.000 2.543 427 S HA 0.943 5.412 4.470 -0.000 0.000 0.273 427 S C -0.141 174.426 174.600 -0.055 0.000 1.152 427 S CA 0.154 58.301 58.200 -0.087 0.000 0.910 427 S CB 1.134 64.259 63.200 -0.124 0.000 1.105 427 S HN 2.820 nan 8.310 nan 0.000 0.465 428 G N 1.832 110.596 108.800 -0.062 0.000 2.332 428 G HA2 0.137 4.097 3.960 -0.000 0.000 0.265 428 G HA3 0.137 4.097 3.960 -0.000 0.000 0.265 428 G C -1.782 173.091 174.900 -0.045 0.000 1.329 428 G CA -0.879 44.201 45.100 -0.033 0.000 0.949 428 G HN 0.844 nan 8.290 nan 0.000 0.476 429 N N 1.123 119.804 118.700 -0.032 0.000 2.439 429 N HA 0.353 5.093 4.740 -0.000 0.000 0.243 429 N C 1.210 176.685 175.510 -0.059 0.000 1.088 429 N CA -0.274 52.752 53.050 -0.040 0.000 0.940 429 N CB 0.590 39.065 38.487 -0.020 0.000 1.180 429 N HN 0.427 nan 8.380 nan 0.000 0.505 430 L N 2.044 123.213 121.223 -0.090 0.000 2.591 430 L HA 0.185 4.525 4.340 -0.000 0.000 0.228 430 L C 2.118 178.895 176.870 -0.155 0.000 1.133 430 L CA -0.044 54.719 54.840 -0.128 0.000 0.880 430 L CB 0.028 41.989 42.059 -0.163 0.000 1.033 430 L HN 0.546 nan 8.230 nan 0.000 0.450 431 G N -0.664 108.033 108.800 -0.172 0.000 2.499 431 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 431 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 431 G C 0.931 175.537 174.900 -0.490 0.000 1.109 431 G CA 0.815 45.734 45.100 -0.303 0.000 0.749 431 G HN 0.542 nan 8.290 nan 0.000 0.568 432 H N -1.417 117.629 119.070 -0.040 0.000 2.767 432 H HA 0.252 4.808 4.556 -0.000 0.000 0.260 432 H C -0.011 175.283 175.328 -0.056 0.000 1.172 432 H CA -0.323 55.704 56.048 -0.034 0.000 1.048 432 H CB 0.839 30.584 29.762 -0.028 0.000 1.697 432 H HN 0.080 nan 8.280 nan 0.000 0.606 433 T N 3.178 117.711 114.554 -0.035 0.000 2.794 433 T HA 0.135 4.485 4.350 -0.000 0.000 0.296 433 T C -2.043 172.577 174.700 -0.133 0.000 0.949 433 T CA -1.256 60.787 62.100 -0.095 0.000 1.101 433 T CB 1.438 70.209 68.868 -0.161 0.000 0.905 433 T HN 0.132 nan 8.240 nan 0.000 0.516 434 P HA 0.285 nan 4.420 nan 0.000 0.296 434 P C -0.050 177.207 177.300 -0.072 0.000 1.295 434 P CA -0.347 62.752 63.100 -0.003 0.000 0.754 434 P CB 0.445 32.170 31.700 0.041 0.000 1.311 435 F N -1.959 117.978 119.950 -0.022 0.000 2.899 435 F HA 0.328 4.855 4.527 -0.000 0.000 0.337 435 F C 1.230 177.001 175.800 -0.048 0.000 1.129 435 F CA 0.091 58.068 58.000 -0.037 0.000 1.128 435 F CB 0.058 39.040 39.000 -0.030 0.000 1.154 435 F HN 0.145 nan 8.300 nan 0.000 0.531 436 I N -0.994 119.646 120.570 0.117 0.000 4.865 436 I HA -0.564 3.606 4.170 -0.000 0.000 0.039 436 I C 1.783 177.938 176.117 0.063 0.000 0.634 436 I CA 1.422 62.747 61.300 0.043 0.000 0.400 436 I CB -1.064 36.938 38.000 0.003 0.000 0.434 436 I HN 0.089 nan 8.210 nan 0.000 0.151 437 D N 0.864 121.298 120.400 0.056 0.000 6.235 437 D HA -0.297 4.343 4.640 -0.000 0.000 0.293 437 D C 1.477 177.810 176.300 0.056 0.000 1.817 437 D CA 2.859 56.880 54.000 0.035 0.000 0.850 437 D CB -0.137 40.666 40.800 0.005 0.000 0.721 437 D HN 0.735 nan 8.370 nan 0.000 0.899 438 E N -1.231 119.030 120.200 0.103 0.000 2.481 438 E HA 0.195 4.545 4.350 -0.000 0.000 0.198 438 E C 0.394 177.057 176.600 0.104 0.000 1.027 438 E CA -0.323 56.136 56.400 0.099 0.000 0.900 438 E CB 0.524 30.305 29.700 0.136 0.000 0.993 438 E HN 0.355 nan 8.360 nan 0.000 0.482 439 L N 0.000 121.297 121.223 0.124 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.954 54.840 0.190 0.000 0.813 439 L CB 0.000 42.206 42.059 0.245 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502