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 2iyf_1_A DATA FIRST_RESID 7 DATA SEQUENCE AHIAMFSIAA HGHVNPSLEV IRELVARGHR VTYAIPPVFA DKVAATGPRP DATA SEQUENCE VLYHSTLPGP DADPEAWGST LLDNVEPFLN DAIQALPQLA DAYADDIPDL DATA SEQUENCE VLHDITSYPA RVLARRWGVP AVSLSPNLVA WKGYEEEVAE PMWREPRQTE DATA SEQUENCE RGRAYYARFE AWLKENGITE HPDTFASHPP RSLVLIPKAL QPHADRVDED DATA SEQUENCE VYTFVGACQX XXXXEGGWQR PAGAEKVVLV SLGSAFTXQP AFYRECVRAF DATA SEQUENCE GNLPGWHLVL QIGXXXTPAE LGELPDNVEV HDWVPQLAIL RQADLFVTHA DATA SEQUENCE GAGGSQEGLA TATPMIAVPQ AVDQFGNADM LQGLGVARKL ATEEATADLL DATA SEQUENCE RETALALVDD PEVARRLRRI QAEMAQEGGT RRAADLIEAE LPA 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.731 177.584 0.246 0.000 1.274 7 A CA 0.000 52.174 52.037 0.229 0.000 0.836 7 A CB 0.000 19.112 19.000 0.187 0.000 0.831 8 H N 1.364 120.477 119.070 0.072 0.000 2.640 8 H HA 0.655 5.206 4.556 -0.008 0.000 0.297 8 H C -1.100 174.253 175.328 0.043 0.000 1.073 8 H CA -0.488 55.598 56.048 0.062 0.000 1.305 8 H CB 0.292 30.081 29.762 0.045 0.000 1.404 8 H HN 0.497 nan 8.280 nan 0.000 0.459 9 I N 4.791 125.470 120.570 0.181 0.000 2.339 9 I HA 0.308 4.472 4.170 -0.009 0.000 0.290 9 I C -0.211 175.913 176.117 0.012 0.000 0.994 9 I CA -0.542 60.759 61.300 0.001 0.000 1.191 9 I CB 1.537 39.526 38.000 -0.019 0.000 1.343 9 I HN 0.627 nan 8.210 nan 0.000 0.458 10 A N 7.350 130.109 122.820 -0.102 0.000 2.258 10 A HA 0.713 5.028 4.320 -0.009 0.000 0.316 10 A C -0.520 177.055 177.584 -0.014 0.000 1.279 10 A CA -0.516 51.485 52.037 -0.060 0.000 0.876 10 A CB 0.925 19.787 19.000 -0.230 0.000 1.170 10 A HN 0.675 nan 8.150 nan 0.000 0.520 11 M N 2.757 122.261 119.600 -0.160 0.000 2.367 11 M HA 0.783 5.258 4.480 -0.009 0.000 0.339 11 M C -1.837 174.229 176.300 -0.390 0.000 1.177 11 M CA -0.665 54.470 55.300 -0.275 0.000 1.068 11 M CB 0.219 32.422 32.600 -0.662 0.000 1.602 11 M HN 0.438 nan 8.290 nan 0.000 0.457 12 F N 2.233 122.100 119.950 -0.139 0.000 2.539 12 F HA 0.732 5.254 4.527 -0.009 0.000 0.318 12 F C 0.044 175.947 175.800 0.172 0.000 1.135 12 F CA -0.329 57.719 58.000 0.080 0.000 0.915 12 F CB 2.076 41.119 39.000 0.071 0.000 1.176 12 F HN 0.697 nan 8.300 nan 0.000 0.440 13 S N 2.589 118.610 115.700 0.535 0.000 2.880 13 S HA 0.823 5.288 4.470 -0.009 0.000 0.308 13 S C -1.169 173.726 174.600 0.492 0.000 1.195 13 S CA -0.624 57.870 58.200 0.491 0.000 0.866 13 S CB 1.036 64.549 63.200 0.522 0.000 1.254 13 S HN 0.549 nan 8.310 nan 0.000 0.571 14 I N -0.495 120.294 120.570 0.365 0.000 3.023 14 I HA 0.902 5.067 4.170 -0.009 0.000 0.312 14 I C -0.029 176.154 176.117 0.109 0.000 1.056 14 I CA -1.318 60.134 61.300 0.253 0.000 1.033 14 I CB 1.829 39.975 38.000 0.243 0.000 1.233 14 I HN 0.585 nan 8.210 nan 0.000 0.462 15 A N 2.958 125.693 122.820 -0.141 0.000 3.037 15 A HA 0.733 5.048 4.320 -0.009 0.000 0.272 15 A C 0.171 177.412 177.584 -0.572 0.000 1.723 15 A CA -0.021 51.606 52.037 -0.683 0.000 1.413 15 A CB -1.406 17.130 19.000 -0.772 0.000 1.112 15 A HN 0.959 nan 8.150 nan 0.000 0.606 16 A N 0.313 123.035 122.820 -0.163 0.000 2.381 16 A HA 0.587 4.902 4.320 -0.009 0.000 0.299 16 A C 0.303 178.061 177.584 0.291 0.000 1.049 16 A CA -0.585 51.498 52.037 0.077 0.000 0.715 16 A CB 0.354 19.480 19.000 0.210 0.000 1.222 16 A HN 0.696 nan 8.150 nan 0.000 0.428 17 H N 2.224 121.536 119.070 0.403 0.000 2.353 17 H HA -0.170 4.381 4.556 -0.009 0.000 0.298 17 H C 2.176 177.599 175.328 0.159 0.000 1.103 17 H CA 2.701 58.952 56.048 0.339 0.000 1.293 17 H CB 0.350 30.249 29.762 0.228 0.000 1.372 17 H HN 0.745 nan 8.280 nan 0.000 0.501 18 G N -1.000 107.890 108.800 0.150 0.000 2.679 18 G HA2 -0.162 3.793 3.960 -0.009 0.000 0.212 18 G HA3 -0.162 3.793 3.960 -0.009 0.000 0.212 18 G C 0.816 175.528 174.900 -0.313 0.000 1.137 18 G CA 0.448 45.491 45.100 -0.094 0.000 0.787 18 G HN 0.516 nan 8.290 nan 0.000 0.534 19 H N -1.107 118.043 119.070 0.133 0.000 2.755 19 H HA 0.330 4.880 4.556 -0.009 0.000 0.273 19 H C 1.335 176.792 175.328 0.216 0.000 1.055 19 H CA 0.111 56.244 56.048 0.141 0.000 1.191 19 H CB 1.103 30.940 29.762 0.125 0.000 1.536 19 H HN 0.266 nan 8.280 nan 0.000 0.529 20 V N -0.014 120.080 119.914 0.299 0.000 3.102 20 V HA -0.073 4.042 4.120 -0.009 0.000 0.225 20 V C 1.779 177.984 176.094 0.184 0.000 1.301 20 V CA 0.213 62.694 62.300 0.301 0.000 1.308 20 V CB 0.218 32.243 31.823 0.336 0.000 1.129 20 V HN 0.212 nan 8.190 nan 0.000 0.502 21 N N 1.229 120.014 118.700 0.141 0.000 2.094 21 N HA -0.146 4.589 4.740 -0.009 0.000 0.191 21 N C -0.677 174.882 175.510 0.081 0.000 1.023 21 N CA 2.039 55.145 53.050 0.093 0.000 0.857 21 N CB -1.622 36.925 38.487 0.100 0.000 1.013 21 N HN 0.391 nan 8.380 nan 0.000 0.426 22 P HA -0.059 nan 4.420 nan 0.000 0.218 22 P C 1.048 178.386 177.300 0.065 0.000 1.148 22 P CA 1.458 64.591 63.100 0.055 0.000 0.822 22 P CB -0.006 31.713 31.700 0.032 0.000 0.784 23 S N -2.895 112.862 115.700 0.095 0.000 2.559 23 S HA 0.182 4.646 4.470 -0.009 0.000 0.226 23 S C 1.571 176.243 174.600 0.119 0.000 1.000 23 S CA -0.340 57.916 58.200 0.093 0.000 0.948 23 S CB -1.061 62.190 63.200 0.085 0.000 0.870 23 S HN 0.001 nan 8.310 nan 0.000 0.497 24 L N 1.446 122.745 121.223 0.126 0.000 2.043 24 L HA -0.130 4.205 4.340 -0.009 0.000 0.212 24 L C 2.757 179.683 176.870 0.094 0.000 1.075 24 L CA 1.528 56.441 54.840 0.123 0.000 0.752 24 L CB -0.481 41.620 42.059 0.070 0.000 0.891 24 L HN 0.326 nan 8.230 nan 0.000 0.432 25 E N -0.349 119.893 120.200 0.070 0.000 2.150 25 E HA -0.143 4.202 4.350 -0.009 0.000 0.193 25 E C 2.314 178.950 176.600 0.061 0.000 0.985 25 E CA 1.037 57.471 56.400 0.057 0.000 0.814 25 E CB -0.224 29.504 29.700 0.045 0.000 0.752 25 E HN 0.364 nan 8.360 nan 0.000 0.466 26 V N 1.646 121.597 119.914 0.062 0.000 2.358 26 V HA -0.220 3.895 4.120 -0.009 0.000 0.246 26 V C 2.336 178.469 176.094 0.066 0.000 1.047 26 V CA 1.066 63.398 62.300 0.054 0.000 1.035 26 V CB -0.374 31.473 31.823 0.039 0.000 0.658 26 V HN 0.183 nan 8.190 nan 0.000 0.452 27 I N 0.141 120.765 120.570 0.089 0.000 2.179 27 I HA -0.196 3.969 4.170 -0.009 0.000 0.242 27 I C 2.592 178.773 176.117 0.107 0.000 1.088 27 I CA 1.604 62.970 61.300 0.111 0.000 1.357 27 I CB -1.291 36.824 38.000 0.192 0.000 1.051 27 I HN 0.315 nan 8.210 nan 0.000 0.409 28 R N 0.815 121.372 120.500 0.095 0.000 2.096 28 R HA -0.272 4.063 4.340 -0.009 0.000 0.240 28 R C 2.265 178.608 176.300 0.073 0.000 1.139 28 R CA 2.261 58.407 56.100 0.077 0.000 0.952 28 R CB -0.173 30.163 30.300 0.060 0.000 0.854 28 R HN 0.241 nan 8.270 nan 0.000 0.436 29 E N 0.523 120.765 120.200 0.070 0.000 2.110 29 E HA -0.151 4.194 4.350 -0.009 0.000 0.193 29 E C 1.993 178.652 176.600 0.098 0.000 0.988 29 E CA 1.307 57.749 56.400 0.070 0.000 0.804 29 E CB -0.251 29.485 29.700 0.060 0.000 0.745 29 E HN 0.429 nan 8.360 nan 0.000 0.458 30 L N -0.607 120.684 121.223 0.113 0.000 2.083 30 L HA -0.157 4.178 4.340 -0.009 0.000 0.209 30 L C 2.395 179.391 176.870 0.211 0.000 1.083 30 L CA 0.814 55.764 54.840 0.184 0.000 0.752 30 L CB -0.393 41.730 42.059 0.107 0.000 0.899 30 L HN 0.090 nan 8.230 nan 0.000 0.433 31 V N 0.051 120.048 119.914 0.138 0.000 2.270 31 V HA -0.276 3.838 4.120 -0.009 0.000 0.245 31 V C 2.780 178.917 176.094 0.072 0.000 1.043 31 V CA 1.756 64.122 62.300 0.110 0.000 1.014 31 V CB -0.919 30.958 31.823 0.090 0.000 0.645 31 V HN 0.480 nan 8.190 nan 0.000 0.447 32 A N -0.012 122.845 122.820 0.063 0.000 1.986 32 A HA -0.282 4.033 4.320 -0.009 0.000 0.220 32 A C 2.267 179.864 177.584 0.022 0.000 1.171 32 A CA 2.121 54.182 52.037 0.039 0.000 0.640 32 A CB -0.538 18.486 19.000 0.039 0.000 0.811 32 A HN 0.541 nan 8.150 nan 0.000 0.451 33 R N -1.783 118.737 120.500 0.034 0.000 2.313 33 R HA 0.235 4.570 4.340 -0.009 0.000 0.199 33 R C 1.244 177.458 176.300 -0.143 0.000 0.958 33 R CA 0.676 56.765 56.100 -0.018 0.000 1.047 33 R CB -0.023 30.306 30.300 0.049 0.000 0.955 33 R HN 0.739 nan 8.270 nan 0.000 0.481 34 G N -0.051 108.688 108.800 -0.102 0.000 2.159 34 G HA2 -0.219 3.736 3.960 -0.009 0.000 0.227 34 G HA3 -0.219 3.736 3.960 -0.009 0.000 0.227 34 G C -0.246 174.558 174.900 -0.159 0.000 0.986 34 G CA -0.503 44.518 45.100 -0.131 0.000 0.651 34 G HN 0.337 nan 8.290 nan 0.000 0.523 35 H N -0.117 118.976 119.070 0.039 0.000 2.551 35 H HA 0.424 4.975 4.556 -0.008 0.000 0.358 35 H C 0.868 176.230 175.328 0.057 0.000 1.151 35 H CA 0.129 56.208 56.048 0.051 0.000 1.374 35 H CB 1.041 30.839 29.762 0.059 0.000 1.473 35 H HN 0.401 nan 8.280 nan 0.000 0.574 36 R N 1.837 122.455 120.500 0.197 0.000 2.196 36 R HA 0.325 4.660 4.340 -0.009 0.000 0.340 36 R C -1.506 174.912 176.300 0.196 0.000 1.043 36 R CA -0.377 55.797 56.100 0.124 0.000 0.883 36 R CB -0.094 30.224 30.300 0.030 0.000 1.078 36 R HN 0.239 nan 8.270 nan 0.000 0.462 37 V N 4.853 124.870 119.914 0.171 0.000 2.417 37 V HA 0.389 4.503 4.120 -0.009 0.000 0.291 37 V C 0.152 176.370 176.094 0.207 0.000 1.024 37 V CA -0.651 61.772 62.300 0.204 0.000 0.861 37 V CB 1.602 33.522 31.823 0.161 0.000 0.985 37 V HN 0.978 nan 8.190 nan 0.000 0.436 38 T N 1.350 116.075 114.554 0.285 0.000 2.940 38 T HA 0.692 5.037 4.350 -0.009 0.000 0.288 38 T C -1.166 173.678 174.700 0.241 0.000 1.033 38 T CA -0.709 61.558 62.100 0.279 0.000 1.033 38 T CB 1.948 71.062 68.868 0.409 0.000 1.079 38 T HN 0.455 nan 8.240 nan 0.000 0.496 39 Y N 1.251 121.611 120.300 0.100 0.000 2.373 39 Y HA 0.582 5.127 4.550 -0.009 0.000 0.327 39 Y C -0.198 175.734 175.900 0.053 0.000 1.036 39 Y CA -1.710 56.425 58.100 0.057 0.000 1.265 39 Y CB 0.759 39.269 38.460 0.083 0.000 1.108 39 Y HN 1.133 nan 8.280 nan 0.000 0.471 40 A N 5.815 128.753 122.820 0.196 0.000 2.484 40 A HA 0.519 4.834 4.320 -0.009 0.000 0.268 40 A C -0.823 177.111 177.584 0.583 0.000 1.114 40 A CA 0.330 52.515 52.037 0.247 0.000 0.780 40 A CB -0.432 18.432 19.000 -0.227 0.000 1.061 40 A HN 0.645 nan 8.150 nan 0.000 0.505 41 I N 3.790 124.680 120.570 0.532 0.000 2.842 41 I HA 0.497 4.662 4.170 -0.009 0.000 0.297 41 I C -2.761 173.312 176.117 -0.074 0.000 1.380 41 I CA -1.964 59.517 61.300 0.301 0.000 1.018 41 I CB 2.621 40.693 38.000 0.120 0.000 1.311 41 I HN 0.342 nan 8.210 nan 0.000 0.439 42 P HA 0.299 nan 4.420 nan 0.000 0.272 42 P C -2.307 174.889 177.300 -0.172 0.000 1.223 42 P CA -0.976 61.863 63.100 -0.435 0.000 0.784 42 P CB 0.147 31.556 31.700 -0.484 0.000 0.923 43 P HA -0.155 nan 4.420 nan 0.000 0.218 43 P C 1.532 178.828 177.300 -0.007 0.000 1.148 43 P CA 0.803 63.879 63.100 -0.040 0.000 0.822 43 P CB -0.135 31.549 31.700 -0.026 0.000 0.784 44 V N -1.480 118.414 119.914 -0.033 0.000 2.546 44 V HA -0.201 3.914 4.120 -0.009 0.000 0.254 44 V C 1.371 177.602 176.094 0.230 0.000 1.076 44 V CA 1.788 64.108 62.300 0.033 0.000 1.087 44 V CB -0.981 30.809 31.823 -0.055 0.000 0.674 44 V HN -0.026 nan 8.190 nan 0.000 0.470 45 F N -0.211 119.678 119.950 -0.101 0.000 2.641 45 F HA 0.499 5.021 4.527 -0.008 0.000 0.302 45 F C 1.883 177.605 175.800 -0.130 0.000 1.098 45 F CA -0.310 57.618 58.000 -0.120 0.000 1.318 45 F CB -0.908 38.003 39.000 -0.148 0.000 1.035 45 F HN 0.188 nan 8.300 nan 0.000 0.551 46 A N 0.249 123.107 122.820 0.062 0.000 1.873 46 A HA -0.231 4.084 4.320 -0.009 0.000 0.218 46 A C 2.150 179.712 177.584 -0.036 0.000 1.193 46 A CA 2.400 54.436 52.037 -0.001 0.000 0.629 46 A CB -0.644 18.362 19.000 0.009 0.000 0.826 46 A HN 0.223 nan 8.150 nan 0.000 0.447 47 D N -0.713 119.672 120.400 -0.026 0.000 2.097 47 D HA -0.151 4.484 4.640 -0.009 0.000 0.195 47 D C 1.879 178.126 176.300 -0.088 0.000 0.989 47 D CA 1.609 55.583 54.000 -0.043 0.000 0.827 47 D CB -0.355 40.429 40.800 -0.027 0.000 0.966 47 D HN 0.591 nan 8.370 nan 0.000 0.456 48 K N 0.593 120.903 120.400 -0.150 0.000 2.034 48 K HA -0.161 4.154 4.320 -0.009 0.000 0.214 48 K C 1.995 178.467 176.600 -0.213 0.000 1.051 48 K CA 1.195 57.333 56.287 -0.247 0.000 0.931 48 K CB -0.147 32.030 32.500 -0.539 0.000 0.715 48 K HN -0.061 nan 8.250 nan 0.000 0.446 49 V N 0.668 120.436 119.914 -0.243 0.000 2.453 49 V HA -0.165 3.950 4.120 -0.009 0.000 0.247 49 V C 2.262 178.292 176.094 -0.108 0.000 1.048 49 V CA 1.796 63.923 62.300 -0.287 0.000 1.049 49 V CB -0.337 31.150 31.823 -0.560 0.000 0.672 49 V HN 0.523 nan 8.190 nan 0.000 0.457 50 A N -0.003 122.774 122.820 -0.072 0.000 2.019 50 A HA -0.072 4.242 4.320 -0.009 0.000 0.219 50 A C 2.342 179.921 177.584 -0.008 0.000 1.164 50 A CA 1.678 53.704 52.037 -0.018 0.000 0.644 50 A CB -0.595 18.396 19.000 -0.016 0.000 0.805 50 A HN 0.572 nan 8.150 nan 0.000 0.449 51 A N -0.163 122.641 122.820 -0.027 0.000 2.125 51 A HA -0.061 4.254 4.320 -0.009 0.000 0.219 51 A C 2.239 179.826 177.584 0.005 0.000 1.156 51 A CA 2.121 54.149 52.037 -0.016 0.000 0.671 51 A CB -1.096 17.885 19.000 -0.032 0.000 0.794 51 A HN 0.776 nan 8.150 nan 0.000 0.459 52 T N -5.040 109.526 114.554 0.021 0.000 3.088 52 T HA 0.375 4.720 4.350 -0.009 0.000 0.259 52 T C 1.504 176.239 174.700 0.059 0.000 1.122 52 T CA 1.162 63.292 62.100 0.050 0.000 1.095 52 T CB 0.097 69.018 68.868 0.088 0.000 0.930 52 T HN 1.602 nan 8.240 nan 0.000 0.508 53 G N 0.900 109.730 108.800 0.051 0.000 2.213 53 G HA2 -0.065 3.890 3.960 -0.009 0.000 0.236 53 G HA3 -0.065 3.890 3.960 -0.009 0.000 0.236 53 G C -0.603 174.340 174.900 0.072 0.000 0.991 53 G CA -0.116 45.016 45.100 0.053 0.000 0.629 53 G HN 0.921 nan 8.290 nan 0.000 0.517 54 P HA 0.671 nan 4.420 nan 0.000 0.275 54 P C -0.014 177.353 177.300 0.111 0.000 1.228 54 P CA 0.689 63.873 63.100 0.140 0.000 0.786 54 P CB 0.361 32.204 31.700 0.239 0.000 0.927 55 R N 3.794 124.360 120.500 0.109 0.000 2.221 55 R HA 0.401 4.736 4.340 -0.009 0.000 0.327 55 R C -2.518 173.845 176.300 0.105 0.000 1.033 55 R CA -1.584 54.561 56.100 0.076 0.000 0.887 55 R CB 0.759 31.082 30.300 0.039 0.000 1.057 55 R HN 0.282 nan 8.270 nan 0.000 0.455 56 P HA 0.032 nan 4.420 nan 0.000 0.276 56 P C -1.064 176.283 177.300 0.078 0.000 1.235 56 P CA -0.226 62.926 63.100 0.087 0.000 0.772 56 P CB 1.142 32.864 31.700 0.036 0.000 0.871 57 V N 5.585 125.569 119.914 0.117 0.000 2.293 57 V HA 0.220 4.335 4.120 -0.009 0.000 0.275 57 V C 0.359 176.555 176.094 0.170 0.000 1.021 57 V CA -0.513 61.835 62.300 0.080 0.000 0.815 57 V CB 0.584 32.410 31.823 0.004 0.000 1.025 57 V HN 0.392 nan 8.190 nan 0.000 0.448 58 L N 6.316 127.616 121.223 0.130 0.000 2.349 58 L HA 0.532 4.867 4.340 -0.009 0.000 0.275 58 L C -0.355 176.659 176.870 0.240 0.000 1.115 58 L CA -0.342 54.581 54.840 0.138 0.000 0.820 58 L CB 0.501 42.599 42.059 0.066 0.000 1.135 58 L HN 0.759 nan 8.230 nan 0.000 0.445 59 Y N 0.057 120.419 120.300 0.102 0.000 2.562 59 Y HA 0.465 5.009 4.550 -0.009 0.000 0.345 59 Y C -0.570 175.400 175.900 0.116 0.000 1.045 59 Y CA -1.531 56.644 58.100 0.126 0.000 1.028 59 Y CB 0.864 39.419 38.460 0.158 0.000 1.297 59 Y HN 0.546 nan 8.280 nan 0.000 0.463 60 H N 1.585 120.692 119.070 0.063 0.000 2.646 60 H HA 0.536 5.087 4.556 -0.008 0.000 0.325 60 H C -0.726 174.583 175.328 -0.032 0.000 1.075 60 H CA 0.331 56.351 56.048 -0.046 0.000 1.421 60 H CB 1.188 30.961 29.762 0.017 0.000 1.461 60 H HN 0.795 nan 8.280 nan 0.000 0.525 61 S N 2.435 117.688 115.700 -0.744 0.000 2.549 61 S HA 0.216 4.681 4.470 -0.009 0.000 0.297 61 S C 0.890 175.092 174.600 -0.663 0.000 1.115 61 S CA -0.129 57.759 58.200 -0.521 0.000 1.059 61 S CB 0.815 63.781 63.200 -0.391 0.000 1.046 61 S HN 0.896 nan 8.310 nan 0.000 0.506 62 T N 2.409 116.744 114.554 -0.366 0.000 3.069 62 T HA 0.358 4.703 4.350 -0.009 0.000 0.252 62 T C 0.608 175.115 174.700 -0.322 0.000 1.053 62 T CA -0.145 61.786 62.100 -0.283 0.000 0.964 62 T CB -0.434 68.342 68.868 -0.152 0.000 1.005 62 T HN 0.439 nan 8.240 nan 0.000 0.532 63 L N 1.589 122.593 121.223 -0.365 0.000 2.466 63 L HA 0.432 4.767 4.340 -0.009 0.000 0.257 63 L C -1.962 174.561 176.870 -0.577 0.000 1.189 63 L CA -2.473 52.050 54.840 -0.528 0.000 0.813 63 L CB -0.033 41.770 42.059 -0.427 0.000 1.118 63 L HN -0.008 nan 8.230 nan 0.000 0.471 64 P HA 0.034 nan 4.420 nan 0.000 0.268 64 P C -0.126 176.964 177.300 -0.350 0.000 1.208 64 P CA -0.168 62.529 63.100 -0.671 0.000 0.777 64 P CB 0.366 31.425 31.700 -1.067 0.000 0.875 65 G N 2.658 111.337 108.800 -0.202 0.000 2.667 65 G HA2 0.140 4.095 3.960 -0.009 0.000 0.250 65 G HA3 0.140 4.095 3.960 -0.009 0.000 0.250 65 G C -1.402 173.494 174.900 -0.006 0.000 1.212 65 G CA -0.860 44.166 45.100 -0.123 0.000 0.874 65 G HN 0.361 nan 8.290 nan 0.000 0.561 66 P HA -0.041 nan 4.420 nan 0.000 0.222 66 P C 0.414 177.841 177.300 0.213 0.000 1.147 66 P CA 1.024 64.126 63.100 0.004 0.000 0.790 66 P CB 0.398 31.931 31.700 -0.277 0.000 0.780 67 D N -0.747 119.748 120.400 0.160 0.000 2.369 67 D HA 0.184 4.819 4.640 -0.009 0.000 0.211 67 D C 0.932 177.315 176.300 0.138 0.000 1.077 67 D CA -0.039 54.062 54.000 0.170 0.000 0.842 67 D CB -0.046 40.831 40.800 0.130 0.000 0.947 67 D HN 0.091 nan 8.370 nan 0.000 0.509 68 A N 0.856 123.758 122.820 0.136 0.000 2.466 68 A HA 0.072 4.387 4.320 -0.009 0.000 0.238 68 A C 0.336 178.024 177.584 0.173 0.000 1.074 68 A CA -0.155 51.947 52.037 0.109 0.000 0.774 68 A CB 0.338 19.357 19.000 0.032 0.000 1.015 68 A HN -0.095 nan 8.150 nan 0.000 0.498 69 D N 1.841 122.316 120.400 0.126 0.000 2.419 69 D HA 0.165 4.799 4.640 -0.009 0.000 0.236 69 D C -1.379 175.060 176.300 0.231 0.000 1.165 69 D CA -1.031 53.054 54.000 0.141 0.000 0.882 69 D CB 0.287 41.142 40.800 0.092 0.000 1.201 69 D HN 0.217 nan 8.370 nan 0.000 0.443 70 P HA -0.135 nan 4.420 nan 0.000 0.218 70 P C 0.734 178.209 177.300 0.291 0.000 1.146 70 P CA 1.146 64.402 63.100 0.261 0.000 0.813 70 P CB 0.310 32.095 31.700 0.142 0.000 0.778 71 E N -0.568 119.742 120.200 0.183 0.000 2.268 71 E HA -0.055 4.290 4.350 -0.009 0.000 0.195 71 E C 2.026 178.690 176.600 0.108 0.000 0.995 71 E CA 0.946 57.426 56.400 0.133 0.000 0.836 71 E CB -0.912 28.835 29.700 0.079 0.000 0.763 71 E HN 0.166 nan 8.360 nan 0.000 0.491 72 A N -0.217 122.656 122.820 0.089 0.000 2.125 72 A HA -0.147 4.168 4.320 -0.009 0.000 0.219 72 A C 1.089 178.554 177.584 -0.198 0.000 1.156 72 A CA 0.807 52.787 52.037 -0.095 0.000 0.671 72 A CB -0.683 18.201 19.000 -0.194 0.000 0.794 72 A HN 0.381 nan 8.150 nan 0.000 0.459 73 W N -0.593 120.700 121.300 -0.012 0.000 3.290 73 W HA 0.430 5.084 4.660 -0.011 0.000 0.287 73 W C 1.206 177.723 176.519 -0.003 0.000 1.288 73 W CA 0.905 58.241 57.345 -0.016 0.000 1.725 73 W CB -0.177 29.306 29.460 0.038 0.000 1.103 73 W HN 0.603 nan 8.180 nan 0.000 0.670 74 G N -0.029 108.861 108.800 0.149 0.000 2.699 74 G HA2 -0.100 3.855 3.960 -0.009 0.000 0.686 74 G HA3 -0.100 3.855 3.960 -0.009 0.000 0.686 74 G C 0.156 175.121 174.900 0.109 0.000 1.301 74 G CA -0.290 44.868 45.100 0.097 0.000 0.816 74 G HN -0.043 nan 8.290 nan 0.000 0.595 75 S N -0.237 115.503 115.700 0.067 0.000 2.937 75 S HA 0.514 4.979 4.470 -0.009 0.000 0.252 75 S C 0.604 175.223 174.600 0.032 0.000 1.022 75 S CA 0.838 59.072 58.200 0.056 0.000 1.079 75 S CB 0.619 63.847 63.200 0.047 0.000 1.035 75 S HN 1.741 nan 8.310 nan 0.000 0.594 76 T N -1.248 113.320 114.554 0.023 0.000 2.901 76 T HA 0.614 4.959 4.350 -0.009 0.000 0.293 76 T C 0.791 175.479 174.700 -0.020 0.000 1.084 76 T CA -0.766 61.330 62.100 -0.006 0.000 1.008 76 T CB 1.172 70.032 68.868 -0.013 0.000 1.170 76 T HN -0.103 nan 8.240 nan 0.000 0.509 77 L N 1.054 122.226 121.223 -0.084 0.000 1.990 77 L HA 0.031 4.366 4.340 -0.009 0.000 0.213 77 L C 2.251 179.070 176.870 -0.085 0.000 1.072 77 L CA 1.798 56.544 54.840 -0.157 0.000 0.755 77 L CB -1.225 40.591 42.059 -0.406 0.000 0.889 77 L HN 0.835 nan 8.230 nan 0.000 0.432 78 L N -0.856 120.323 121.223 -0.073 0.000 2.093 78 L HA -0.177 4.157 4.340 -0.009 0.000 0.208 78 L C 2.189 179.034 176.870 -0.043 0.000 1.085 78 L CA 1.132 55.945 54.840 -0.046 0.000 0.755 78 L CB -0.741 41.315 42.059 -0.005 0.000 0.904 78 L HN 0.273 nan 8.230 nan 0.000 0.435 79 D N -0.223 120.170 120.400 -0.011 0.000 2.178 79 D HA -0.151 4.484 4.640 -0.009 0.000 0.201 79 D C 1.912 178.242 176.300 0.050 0.000 0.980 79 D CA 0.847 54.849 54.000 0.003 0.000 0.842 79 D CB -0.202 40.603 40.800 0.009 0.000 0.948 79 D HN 0.281 nan 8.370 nan 0.000 0.472 80 N N 0.074 118.834 118.700 0.099 0.000 2.135 80 N HA -0.108 4.627 4.740 -0.009 0.000 0.186 80 N C 2.104 177.809 175.510 0.326 0.000 1.027 80 N CA 1.417 54.598 53.050 0.219 0.000 0.849 80 N CB -0.303 38.307 38.487 0.206 0.000 1.002 80 N HN 0.269 nan 8.380 nan 0.000 0.425 81 V N -1.194 118.871 119.914 0.252 0.000 2.599 81 V HA 0.095 4.210 4.120 -0.009 0.000 0.245 81 V C 1.824 178.073 176.094 0.259 0.000 1.046 81 V CA 0.947 63.473 62.300 0.376 0.000 1.065 81 V CB -0.658 31.402 31.823 0.394 0.000 0.703 81 V HN 0.054 nan 8.190 nan 0.000 0.464 82 E N 1.391 121.573 120.200 -0.029 0.000 2.097 82 E HA -0.179 4.165 4.350 -0.009 0.000 0.196 82 E C -0.026 176.570 176.600 -0.006 0.000 1.000 82 E CA 2.118 58.489 56.400 -0.047 0.000 0.804 82 E CB -1.358 28.277 29.700 -0.108 0.000 0.740 82 E HN 0.555 nan 8.360 nan 0.000 0.454 83 P HA -0.164 nan 4.420 nan 0.000 0.218 83 P C 0.759 177.873 177.300 -0.309 0.000 1.148 83 P CA 1.181 64.125 63.100 -0.260 0.000 0.822 83 P CB -0.062 31.385 31.700 -0.420 0.000 0.784 84 F N -1.603 118.327 119.950 -0.033 0.000 2.259 84 F HA -0.079 4.442 4.527 -0.010 0.000 0.298 84 F C 2.126 177.818 175.800 -0.181 0.000 1.088 84 F CA 0.606 58.509 58.000 -0.161 0.000 1.358 84 F CB -0.963 37.887 39.000 -0.250 0.000 1.040 84 F HN -0.133 nan 8.300 nan 0.000 0.505 85 L N 0.483 121.781 121.223 0.125 0.000 2.072 85 L HA -0.125 4.210 4.340 -0.009 0.000 0.205 85 L C 2.005 178.673 176.870 -0.337 0.000 1.079 85 L CA 1.743 56.478 54.840 -0.175 0.000 0.752 85 L CB -0.918 40.936 42.059 -0.341 0.000 0.906 85 L HN -0.047 nan 8.230 nan 0.000 0.436 86 N N 0.010 118.583 118.700 -0.213 0.000 2.120 86 N HA -0.215 4.520 4.740 -0.009 0.000 0.188 86 N C 1.575 176.965 175.510 -0.200 0.000 1.024 86 N CA 1.588 54.507 53.050 -0.218 0.000 0.852 86 N CB -0.515 37.880 38.487 -0.153 0.000 1.003 86 N HN 0.475 nan 8.380 nan 0.000 0.424 87 D N 0.627 120.922 120.400 -0.176 0.000 2.123 87 D HA -0.050 4.585 4.640 -0.009 0.000 0.196 87 D C 1.760 178.013 176.300 -0.078 0.000 0.992 87 D CA 1.371 55.301 54.000 -0.115 0.000 0.833 87 D CB -0.117 40.614 40.800 -0.114 0.000 0.954 87 D HN 0.244 nan 8.370 nan 0.000 0.455 88 A N 0.043 122.778 122.820 -0.141 0.000 1.902 88 A HA -0.104 4.211 4.320 -0.009 0.000 0.217 88 A C 2.440 179.911 177.584 -0.188 0.000 1.181 88 A CA 1.134 53.106 52.037 -0.108 0.000 0.623 88 A CB -0.788 18.155 19.000 -0.094 0.000 0.818 88 A HN 0.374 nan 8.150 nan 0.000 0.443 89 I N 0.087 120.371 120.570 -0.476 0.000 2.208 89 I HA -0.335 3.830 4.170 -0.009 0.000 0.245 89 I C 2.724 178.807 176.117 -0.057 0.000 1.097 89 I CA 1.934 62.989 61.300 -0.408 0.000 1.363 89 I CB -0.240 37.432 38.000 -0.545 0.000 1.051 89 I HN 0.631 nan 8.210 nan 0.000 0.413 90 Q N 0.798 120.575 119.800 -0.037 0.000 2.354 90 Q HA 0.108 4.443 4.340 -0.009 0.000 0.203 90 Q C 1.895 177.968 176.000 0.121 0.000 0.933 90 Q CA 1.208 57.044 55.803 0.053 0.000 0.901 90 Q CB -0.413 28.361 28.738 0.060 0.000 1.007 90 Q HN 0.336 nan 8.270 nan 0.000 0.495 91 A N 0.811 123.702 122.820 0.119 0.000 1.930 91 A HA 0.052 4.367 4.320 -0.009 0.000 0.215 91 A C 1.971 179.613 177.584 0.096 0.000 1.176 91 A CA 0.939 53.059 52.037 0.139 0.000 0.632 91 A CB -0.621 18.431 19.000 0.088 0.000 0.819 91 A HN 0.382 nan 8.150 nan 0.000 0.445 92 L N 1.067 122.370 121.223 0.133 0.000 1.990 92 L HA -0.095 4.240 4.340 -0.009 0.000 0.213 92 L C -0.608 176.340 176.870 0.131 0.000 1.072 92 L CA 2.868 57.796 54.840 0.147 0.000 0.755 92 L CB -1.255 40.970 42.059 0.276 0.000 0.889 92 L HN 0.224 nan 8.230 nan 0.000 0.432 93 P HA -0.201 nan 4.420 nan 0.000 0.217 93 P C 1.427 178.813 177.300 0.143 0.000 1.150 93 P CA 1.563 64.739 63.100 0.127 0.000 0.832 93 P CB -0.121 31.646 31.700 0.112 0.000 0.787 94 Q N -0.251 119.642 119.800 0.156 0.000 2.050 94 Q HA -0.097 4.238 4.340 -0.009 0.000 0.202 94 Q C 2.452 178.576 176.000 0.207 0.000 0.980 94 Q CA 1.251 57.161 55.803 0.178 0.000 0.840 94 Q CB -0.668 28.204 28.738 0.225 0.000 0.898 94 Q HN 0.284 nan 8.270 nan 0.000 0.424 95 L N 0.107 121.461 121.223 0.218 0.000 2.109 95 L HA -0.094 4.241 4.340 -0.009 0.000 0.207 95 L C 2.529 179.674 176.870 0.458 0.000 1.086 95 L CA 0.706 55.755 54.840 0.350 0.000 0.760 95 L CB -0.599 41.672 42.059 0.353 0.000 0.910 95 L HN 0.191 nan 8.230 nan 0.000 0.437 96 A N 0.229 123.237 122.820 0.314 0.000 1.883 96 A HA -0.247 4.068 4.320 -0.009 0.000 0.217 96 A C 1.940 179.726 177.584 0.338 0.000 1.186 96 A CA 2.133 54.374 52.037 0.339 0.000 0.624 96 A CB -0.553 18.556 19.000 0.182 0.000 0.822 96 A HN 0.337 nan 8.150 nan 0.000 0.444 97 D N -0.036 120.505 120.400 0.235 0.000 2.117 97 D HA -0.042 4.593 4.640 -0.009 0.000 0.197 97 D C 2.230 178.626 176.300 0.159 0.000 0.987 97 D CA 1.567 55.671 54.000 0.173 0.000 0.829 97 D CB -0.468 40.410 40.800 0.129 0.000 0.961 97 D HN 0.423 nan 8.370 nan 0.000 0.460 98 A N -0.356 122.565 122.820 0.169 0.000 1.933 98 A HA -0.178 4.137 4.320 -0.009 0.000 0.218 98 A C 1.697 179.244 177.584 -0.062 0.000 1.175 98 A CA 1.108 53.165 52.037 0.034 0.000 0.628 98 A CB -0.791 18.208 19.000 -0.002 0.000 0.814 98 A HN 0.310 nan 8.150 nan 0.000 0.444 99 Y N -0.995 119.425 120.300 0.201 0.000 2.457 99 Y HA 0.329 4.874 4.550 -0.009 0.000 0.263 99 Y C 2.450 178.370 175.900 0.034 0.000 1.164 99 Y CA 0.044 58.219 58.100 0.125 0.000 1.274 99 Y CB -0.017 38.558 38.460 0.191 0.000 1.097 99 Y HN 0.333 nan 8.280 nan 0.000 0.523 100 A N 0.081 123.029 122.820 0.214 0.000 1.948 100 A HA -0.206 4.108 4.320 -0.009 0.000 0.220 100 A C 1.439 179.061 177.584 0.063 0.000 1.177 100 A CA 2.265 54.395 52.037 0.156 0.000 0.636 100 A CB -0.357 18.730 19.000 0.145 0.000 0.815 100 A HN 0.303 nan 8.150 nan 0.000 0.449 101 D N -1.327 119.097 120.400 0.040 0.000 2.368 101 D HA 0.179 4.814 4.640 -0.009 0.000 0.218 101 D C -0.499 175.802 176.300 0.002 0.000 1.112 101 D CA 0.319 54.327 54.000 0.014 0.000 0.834 101 D CB 0.515 41.322 40.800 0.011 0.000 0.953 101 D HN 0.400 nan 8.370 nan 0.000 0.505 102 D N 0.662 121.068 120.400 0.009 0.000 3.285 102 D HA 0.130 4.765 4.640 -0.009 0.000 0.273 102 D C -0.521 175.827 176.300 0.080 0.000 1.295 102 D CA -0.322 53.708 54.000 0.050 0.000 0.762 102 D CB -0.038 40.790 40.800 0.046 0.000 1.379 102 D HN -0.054 nan 8.370 nan 0.000 0.612 103 I N 2.648 123.126 120.570 -0.153 0.000 2.598 103 I HA 0.165 4.330 4.170 -0.009 0.000 0.284 103 I C -1.486 174.425 176.117 -0.343 0.000 1.140 103 I CA -1.142 59.830 61.300 -0.546 0.000 1.420 103 I CB 0.592 38.167 38.000 -0.708 0.000 1.387 103 I HN 0.137 nan 8.210 nan 0.000 0.553 104 P HA 0.031 nan 4.420 nan 0.000 0.271 104 P C -0.305 176.849 177.300 -0.242 0.000 1.233 104 P CA -0.149 62.622 63.100 -0.549 0.000 0.789 104 P CB 0.988 32.276 31.700 -0.687 0.000 0.951 105 D N -0.253 120.064 120.400 -0.138 0.000 2.249 105 D HA 0.075 4.710 4.640 -0.009 0.000 0.205 105 D C 0.595 176.874 176.300 -0.034 0.000 0.962 105 D CA 1.055 55.028 54.000 -0.045 0.000 0.860 105 D CB 0.416 41.221 40.800 0.008 0.000 0.955 105 D HN 0.215 nan 8.370 nan 0.000 0.505 106 L N 0.279 121.467 121.223 -0.058 0.000 2.505 106 L HA 0.313 4.647 4.340 -0.009 0.000 0.259 106 L C -1.681 175.187 176.870 -0.004 0.000 0.952 106 L CA -0.618 54.209 54.840 -0.023 0.000 0.840 106 L CB 2.625 44.661 42.059 -0.038 0.000 1.358 106 L HN -0.388 nan 8.230 nan 0.000 0.409 107 V N 5.182 125.128 119.914 0.052 0.000 2.398 107 V HA 0.486 4.601 4.120 -0.009 0.000 0.286 107 V C -0.139 176.022 176.094 0.111 0.000 1.026 107 V CA -0.371 62.002 62.300 0.122 0.000 0.868 107 V CB 1.564 33.434 31.823 0.078 0.000 0.982 107 V HN 0.553 nan 8.190 nan 0.000 0.443 108 L N 5.686 126.996 121.223 0.144 0.000 2.334 108 L HA 0.762 5.097 4.340 -0.009 0.000 0.276 108 L C -0.699 176.279 176.870 0.181 0.000 1.014 108 L CA -0.609 54.269 54.840 0.064 0.000 0.815 108 L CB 1.878 43.926 42.059 -0.018 0.000 1.268 108 L HN 0.981 nan 8.230 nan 0.000 0.428 109 H N -1.183 117.899 119.070 0.021 0.000 3.079 109 H HA 0.366 4.917 4.556 -0.009 0.000 0.356 109 H C -1.365 173.987 175.328 0.039 0.000 1.221 109 H CA -1.101 54.982 56.048 0.059 0.000 1.185 109 H CB 1.156 30.920 29.762 0.003 0.000 1.882 109 H HN 0.503 nan 8.280 nan 0.000 0.543 110 D N 1.333 121.829 120.400 0.160 0.000 2.382 110 D HA 0.019 4.654 4.640 -0.009 0.000 0.240 110 D C 1.804 178.207 176.300 0.171 0.000 1.146 110 D CA 0.150 54.231 54.000 0.135 0.000 0.897 110 D CB 0.863 41.800 40.800 0.228 0.000 1.197 110 D HN 0.690 nan 8.370 nan 0.000 0.432 111 I N -0.007 120.614 120.570 0.085 0.000 2.399 111 I HA -0.239 3.926 4.170 -0.009 0.000 0.254 111 I C 1.634 177.731 176.117 -0.033 0.000 1.146 111 I CA 1.657 62.989 61.300 0.055 0.000 1.412 111 I CB -1.149 36.856 38.000 0.009 0.000 1.076 111 I HN 0.451 nan 8.210 nan 0.000 0.432 112 T N -2.336 112.124 114.554 -0.155 0.000 3.088 112 T HA 0.036 4.381 4.350 -0.009 0.000 0.259 112 T C 1.187 175.762 174.700 -0.209 0.000 1.122 112 T CA 0.471 62.356 62.100 -0.358 0.000 1.095 112 T CB -0.328 68.300 68.868 -0.400 0.000 0.930 112 T HN 0.327 nan 8.240 nan 0.000 0.508 113 S N 0.847 116.535 115.700 -0.020 0.000 2.642 113 S HA 0.306 4.771 4.470 -0.009 0.000 0.309 113 S C 0.496 175.086 174.600 -0.016 0.000 1.125 113 S CA -0.904 57.300 58.200 0.005 0.000 1.055 113 S CB -0.468 62.801 63.200 0.116 0.000 1.157 113 S HN 0.328 nan 8.310 nan 0.000 0.513 114 Y N 4.288 124.631 120.300 0.071 0.000 2.181 114 Y HA 0.055 4.599 4.550 -0.010 0.000 0.288 114 Y C -0.660 175.339 175.900 0.165 0.000 1.146 114 Y CA 0.480 58.704 58.100 0.206 0.000 1.164 114 Y CB -2.182 36.609 38.460 0.552 0.000 0.982 114 Y HN 0.508 nan 8.280 nan 0.000 0.515 115 P HA -0.202 nan 4.420 nan 0.000 0.216 115 P C 1.618 178.693 177.300 -0.376 0.000 1.153 115 P CA 2.460 65.569 63.100 0.016 0.000 0.858 115 P CB -0.131 31.563 31.700 -0.009 0.000 0.789 116 A N -0.120 122.319 122.820 -0.635 0.000 1.908 116 A HA -0.263 4.052 4.320 -0.009 0.000 0.218 116 A C 2.244 179.336 177.584 -0.819 0.000 1.181 116 A CA 1.796 53.140 52.037 -1.154 0.000 0.627 116 A CB -1.108 17.243 19.000 -1.081 0.000 0.818 116 A HN 0.101 nan 8.150 nan 0.000 0.445 117 R N -0.854 119.257 120.500 -0.648 0.000 2.073 117 R HA -0.076 4.258 4.340 -0.009 0.000 0.234 117 R C 2.070 178.226 176.300 -0.239 0.000 1.134 117 R CA 1.494 57.325 56.100 -0.448 0.000 0.952 117 R CB -0.627 29.365 30.300 -0.513 0.000 0.850 117 R HN 0.390 nan 8.270 nan 0.000 0.433 118 V N 1.536 121.358 119.914 -0.153 0.000 2.295 118 V HA -0.226 3.889 4.120 -0.009 0.000 0.246 118 V C 2.312 178.138 176.094 -0.446 0.000 1.049 118 V CA 1.692 63.848 62.300 -0.239 0.000 1.024 118 V CB -0.431 31.212 31.823 -0.301 0.000 0.648 118 V HN 0.266 nan 8.190 nan 0.000 0.447 119 L N 0.011 120.842 121.223 -0.655 0.000 2.056 119 L HA -0.128 4.207 4.340 -0.009 0.000 0.207 119 L C 2.754 178.980 176.870 -1.072 0.000 1.078 119 L CA 1.475 55.604 54.840 -1.185 0.000 0.749 119 L CB -0.830 40.295 42.059 -1.557 0.000 0.901 119 L HN 0.349 nan 8.230 nan 0.000 0.433 120 A N 0.350 122.804 122.820 -0.609 0.000 1.883 120 A HA -0.243 4.072 4.320 -0.009 0.000 0.217 120 A C 2.386 179.880 177.584 -0.151 0.000 1.186 120 A CA 1.803 53.703 52.037 -0.228 0.000 0.624 120 A CB -0.501 18.396 19.000 -0.171 0.000 0.822 120 A HN 0.338 nan 8.150 nan 0.000 0.444 121 R N -1.197 119.179 120.500 -0.207 0.000 2.073 121 R HA -0.091 4.244 4.340 -0.009 0.000 0.234 121 R C 2.561 178.778 176.300 -0.138 0.000 1.134 121 R CA 1.471 57.488 56.100 -0.139 0.000 0.952 121 R CB -0.354 29.869 30.300 -0.128 0.000 0.850 121 R HN 0.565 nan 8.270 nan 0.000 0.433 122 R N 0.171 120.521 120.500 -0.251 0.000 2.096 122 R HA -0.175 4.160 4.340 -0.009 0.000 0.240 122 R C 1.518 177.804 176.300 -0.024 0.000 1.139 122 R CA 1.673 57.646 56.100 -0.212 0.000 0.952 122 R CB -0.081 29.991 30.300 -0.380 0.000 0.854 122 R HN 0.311 nan 8.270 nan 0.000 0.436 123 W N -0.304 120.962 121.300 -0.056 0.000 2.678 123 W HA 0.249 4.905 4.660 -0.008 0.000 0.256 123 W C 1.051 177.548 176.519 -0.036 0.000 1.280 123 W CA 0.986 58.307 57.345 -0.039 0.000 1.345 123 W CB -0.708 28.724 29.460 -0.047 0.000 1.118 123 W HN 0.468 nan 8.180 nan 0.000 0.629 124 G N 1.078 109.967 108.800 0.148 0.000 2.246 124 G HA2 -0.145 3.810 3.960 -0.009 0.000 0.273 124 G HA3 -0.145 3.810 3.960 -0.009 0.000 0.273 124 G C -0.190 174.756 174.900 0.077 0.000 1.055 124 G CA 0.288 45.434 45.100 0.076 0.000 0.851 124 G HN 0.340 nan 8.290 nan 0.000 0.500 125 V N -3.501 116.471 119.914 0.096 0.000 2.960 125 V HA 0.949 5.064 4.120 -0.009 0.000 0.315 125 V C -2.071 174.046 176.094 0.039 0.000 1.087 125 V CA -2.967 59.377 62.300 0.073 0.000 0.982 125 V CB 1.982 33.868 31.823 0.104 0.000 1.039 125 V HN 0.067 nan 8.190 nan 0.000 0.437 126 P HA 0.497 nan 4.420 nan 0.000 0.269 126 P C -0.675 176.628 177.300 0.004 0.000 1.209 126 P CA 0.226 63.326 63.100 0.000 0.000 0.776 126 P CB 0.718 32.413 31.700 -0.009 0.000 0.876 127 A N 2.311 125.129 122.820 -0.004 0.000 2.355 127 A HA 0.629 4.944 4.320 -0.009 0.000 0.317 127 A C -1.027 176.551 177.584 -0.011 0.000 1.094 127 A CA -0.600 51.451 52.037 0.023 0.000 0.764 127 A CB 1.128 20.151 19.000 0.038 0.000 1.230 127 A HN 0.317 nan 8.150 nan 0.000 0.448 128 V N 1.829 121.721 119.914 -0.037 0.000 2.407 128 V HA 0.491 4.606 4.120 -0.009 0.000 0.291 128 V C 0.449 176.358 176.094 -0.308 0.000 1.018 128 V CA -0.527 61.696 62.300 -0.129 0.000 0.842 128 V CB 1.476 33.238 31.823 -0.102 0.000 0.996 128 V HN 0.931 nan 8.190 nan 0.000 0.426 129 S N 5.759 121.226 115.700 -0.389 0.000 2.537 129 S HA 0.670 5.135 4.470 -0.009 0.000 0.275 129 S C -0.579 173.825 174.600 -0.326 0.000 1.272 129 S CA -0.487 57.334 58.200 -0.632 0.000 1.050 129 S CB 0.356 63.329 63.200 -0.378 0.000 0.961 129 S HN 0.579 nan 8.310 nan 0.000 0.496 130 L N 4.214 125.268 121.223 -0.281 0.000 2.294 130 L HA 0.440 4.775 4.340 -0.009 0.000 0.283 130 L C 0.048 176.876 176.870 -0.070 0.000 1.015 130 L CA -0.533 54.229 54.840 -0.130 0.000 0.831 130 L CB 1.665 43.676 42.059 -0.080 0.000 1.217 130 L HN 0.580 nan 8.230 nan 0.000 0.420 131 S N 4.702 120.363 115.700 -0.065 0.000 2.433 131 S HA 0.494 4.959 4.470 -0.009 0.000 0.310 131 S C -1.790 172.791 174.600 -0.031 0.000 1.097 131 S CA -1.340 56.837 58.200 -0.037 0.000 1.103 131 S CB 1.255 64.418 63.200 -0.063 0.000 0.992 131 S HN 0.417 nan 8.310 nan 0.000 0.469 132 P HA 0.176 nan 4.420 nan 0.000 0.257 132 P C -0.748 176.534 177.300 -0.030 0.000 1.325 132 P CA 0.091 63.173 63.100 -0.030 0.000 0.850 132 P CB -0.434 31.219 31.700 -0.078 0.000 1.324 133 N N -0.960 117.730 118.700 -0.017 0.000 3.243 133 N HA 0.370 5.105 4.740 -0.009 0.000 0.280 133 N C -0.513 175.005 175.510 0.013 0.000 1.545 133 N CA -1.153 51.899 53.050 0.003 0.000 0.854 133 N CB -0.011 38.477 38.487 0.003 0.000 1.612 133 N HN -0.246 nan 8.380 nan 0.000 0.577 134 L N -0.937 120.315 121.223 0.048 0.000 2.492 134 L HA 0.542 4.877 4.340 -0.009 0.000 0.280 134 L C 0.250 177.111 176.870 -0.015 0.000 1.240 134 L CA -0.660 54.227 54.840 0.077 0.000 0.831 134 L CB -0.158 41.979 42.059 0.130 0.000 1.100 134 L HN 0.513 nan 8.230 nan 0.000 0.505 135 V N -1.234 118.637 119.914 -0.072 0.000 3.166 135 V HA 0.949 5.064 4.120 -0.009 0.000 0.317 135 V C 0.508 176.417 176.094 -0.308 0.000 1.136 135 V CA -0.717 61.404 62.300 -0.299 0.000 1.035 135 V CB 1.042 32.456 31.823 -0.681 0.000 1.110 135 V HN 1.311 nan 8.190 nan 0.000 0.450 136 A N 1.532 124.011 122.820 -0.568 0.000 2.511 136 A HA 0.504 4.819 4.320 -0.009 0.000 0.242 136 A C -0.202 177.268 177.584 -0.190 0.000 1.069 136 A CA 0.025 51.653 52.037 -0.681 0.000 0.763 136 A CB -0.467 18.071 19.000 -0.770 0.000 1.001 136 A HN 1.358 nan 8.150 nan 0.000 0.498 137 W N 1.373 122.673 121.300 -0.000 0.000 2.390 137 W HA 0.667 5.321 4.660 -0.011 0.000 0.362 137 W C -0.320 176.297 176.519 0.163 0.000 1.206 137 W CA -1.257 56.141 57.345 0.088 0.000 1.355 137 W CB 0.505 30.037 29.460 0.120 0.000 1.278 137 W HN 0.554 nan 8.180 nan 0.000 0.653 138 K N 1.518 122.115 120.400 0.329 0.000 2.402 138 K HA 0.374 4.689 4.320 -0.009 0.000 0.285 138 K C 0.841 177.568 176.600 0.212 0.000 1.054 138 K CA 1.335 57.745 56.287 0.204 0.000 1.001 138 K CB 0.246 32.858 32.500 0.186 0.000 0.946 138 K HN 0.925 nan 8.250 nan 0.000 0.473 139 G N 2.187 111.023 108.800 0.061 0.000 2.218 139 G HA2 -0.338 3.617 3.960 -0.009 0.000 0.216 139 G HA3 -0.338 3.617 3.960 -0.009 0.000 0.216 139 G C 0.653 175.481 174.900 -0.119 0.000 0.994 139 G CA 0.149 45.276 45.100 0.045 0.000 0.637 139 G HN 0.709 nan 8.290 nan 0.000 0.505 140 Y N 1.613 121.531 120.300 -0.637 0.000 2.193 140 Y HA -0.087 4.458 4.550 -0.007 0.000 0.285 140 Y C 2.570 178.276 175.900 -0.323 0.000 1.166 140 Y CA 2.526 60.092 58.100 -0.892 0.000 1.181 140 Y CB 0.123 37.903 38.460 -1.133 0.000 0.976 140 Y HN 0.290 nan 8.280 nan 0.000 0.520 141 E N 0.552 120.671 120.200 -0.136 0.000 2.051 141 E HA -0.199 4.146 4.350 -0.009 0.000 0.192 141 E C 1.918 178.410 176.600 -0.179 0.000 0.991 141 E CA 1.870 58.191 56.400 -0.131 0.000 0.799 141 E CB -0.154 29.513 29.700 -0.054 0.000 0.748 141 E HN 0.690 nan 8.360 nan 0.000 0.449 142 E N 0.516 120.638 120.200 -0.129 0.000 2.158 142 E HA -0.081 4.264 4.350 -0.009 0.000 0.191 142 E C 1.925 178.472 176.600 -0.088 0.000 0.982 142 E CA 0.798 57.144 56.400 -0.090 0.000 0.823 142 E CB -0.047 29.623 29.700 -0.051 0.000 0.766 142 E HN 0.320 nan 8.360 nan 0.000 0.468 143 E N -0.169 119.971 120.200 -0.100 0.000 2.170 143 E HA -0.012 4.332 4.350 -0.009 0.000 0.191 143 E C 1.478 178.039 176.600 -0.064 0.000 0.981 143 E CA 0.811 57.196 56.400 -0.025 0.000 0.830 143 E CB 0.492 30.261 29.700 0.116 0.000 0.775 143 E HN 0.059 nan 8.360 nan 0.000 0.470 144 V N -0.088 119.665 119.914 -0.269 0.000 3.029 144 V HA 0.141 4.256 4.120 -0.009 0.000 0.230 144 V C 1.874 177.764 176.094 -0.340 0.000 1.254 144 V CA 0.912 63.029 62.300 -0.305 0.000 1.276 144 V CB 0.065 31.647 31.823 -0.401 0.000 1.080 144 V HN 0.203 nan 8.190 nan 0.000 0.495 145 A N 0.053 122.536 122.820 -0.562 0.000 1.873 145 A HA -0.205 4.110 4.320 -0.009 0.000 0.215 145 A C 2.162 179.780 177.584 0.057 0.000 1.186 145 A CA 1.998 53.937 52.037 -0.164 0.000 0.616 145 A CB -0.488 18.457 19.000 -0.090 0.000 0.823 145 A HN 0.482 nan 8.150 nan 0.000 0.442 146 E N 0.104 120.283 120.200 -0.036 0.000 2.031 146 E HA -0.147 4.197 4.350 -0.009 0.000 0.193 146 E C -0.520 176.104 176.600 0.040 0.000 0.994 146 E CA 1.911 58.319 56.400 0.015 0.000 0.800 146 E CB -1.221 28.456 29.700 -0.040 0.000 0.752 146 E HN 0.372 nan 8.360 nan 0.000 0.447 147 P HA -0.124 nan 4.420 nan 0.000 0.216 147 P C 1.809 179.104 177.300 -0.007 0.000 1.150 147 P CA 1.483 64.581 63.100 -0.003 0.000 0.837 147 P CB -0.324 31.365 31.700 -0.018 0.000 0.786 148 M N -2.567 117.012 119.600 -0.034 0.000 2.175 148 M HA -0.097 4.378 4.480 -0.009 0.000 0.264 148 M C 1.318 177.509 176.300 -0.181 0.000 1.063 148 M CA 1.866 57.089 55.300 -0.129 0.000 1.119 148 M CB -0.317 32.174 32.600 -0.181 0.000 1.377 148 M HN -0.094 nan 8.290 nan 0.000 0.415 149 W N -0.266 121.051 121.300 0.028 0.000 3.197 149 W HA 0.174 4.834 4.660 -0.001 0.000 0.274 149 W C 2.305 178.840 176.519 0.026 0.000 1.297 149 W CA -0.179 57.200 57.345 0.057 0.000 1.662 149 W CB 0.058 29.552 29.460 0.056 0.000 1.106 149 W HN 0.207 nan 8.180 nan 0.000 0.663 150 R N 0.908 121.516 120.500 0.180 0.000 2.080 150 R HA -0.195 4.140 4.340 -0.009 0.000 0.236 150 R C 1.836 178.204 176.300 0.113 0.000 1.137 150 R CA 1.905 58.075 56.100 0.116 0.000 0.943 150 R CB -0.045 30.289 30.300 0.057 0.000 0.846 150 R HN 0.028 nan 8.270 nan 0.000 0.431 151 E N -0.671 119.584 120.200 0.092 0.000 2.060 151 E HA -0.023 4.322 4.350 -0.009 0.000 0.189 151 E C -0.649 176.026 176.600 0.126 0.000 0.974 151 E CA 0.674 57.124 56.400 0.083 0.000 0.808 151 E CB -1.254 28.472 29.700 0.045 0.000 0.768 151 E HN 0.380 nan 8.360 nan 0.000 0.453 152 P HA -0.099 nan 4.420 nan 0.000 0.216 152 P C 1.298 178.820 177.300 0.370 0.000 1.150 152 P CA 1.270 64.509 63.100 0.231 0.000 0.837 152 P CB -0.052 31.752 31.700 0.174 0.000 0.786 153 R N -0.507 120.250 120.500 0.428 0.000 2.152 153 R HA -0.104 4.231 4.340 -0.009 0.000 0.232 153 R C 2.143 178.562 176.300 0.198 0.000 1.117 153 R CA 1.158 57.456 56.100 0.331 0.000 0.981 153 R CB -0.332 30.067 30.300 0.166 0.000 0.870 153 R HN 0.402 nan 8.270 nan 0.000 0.451 154 Q N -0.072 119.822 119.800 0.157 0.000 2.424 154 Q HA -0.014 4.321 4.340 -0.009 0.000 0.204 154 Q C 0.471 176.534 176.000 0.106 0.000 0.933 154 Q CA 0.637 56.504 55.803 0.106 0.000 0.929 154 Q CB 0.508 29.293 28.738 0.078 0.000 1.037 154 Q HN 0.298 nan 8.270 nan 0.000 0.511 155 T N -2.222 112.412 114.554 0.132 0.000 2.898 155 T HA 0.018 4.363 4.350 -0.009 0.000 0.301 155 T C 0.978 175.751 174.700 0.123 0.000 1.049 155 T CA -0.439 61.730 62.100 0.115 0.000 1.095 155 T CB 1.692 70.632 68.868 0.119 0.000 0.976 155 T HN 0.229 nan 8.240 nan 0.000 0.539 156 E N 1.345 121.602 120.200 0.096 0.000 2.097 156 E HA -0.291 4.054 4.350 -0.009 0.000 0.196 156 E C 2.231 178.902 176.600 0.118 0.000 1.000 156 E CA 1.241 57.696 56.400 0.092 0.000 0.804 156 E CB -0.100 29.641 29.700 0.068 0.000 0.740 156 E HN 0.755 nan 8.360 nan 0.000 0.454 157 R N -0.273 120.301 120.500 0.124 0.000 2.073 157 R HA -0.110 4.225 4.340 -0.009 0.000 0.234 157 R C 2.416 178.854 176.300 0.231 0.000 1.134 157 R CA 1.654 57.842 56.100 0.146 0.000 0.952 157 R CB -0.565 29.806 30.300 0.118 0.000 0.850 157 R HN 0.283 nan 8.270 nan 0.000 0.433 158 G N 0.362 109.328 108.800 0.276 0.000 2.402 158 G HA2 -0.225 3.730 3.960 -0.009 0.000 0.216 158 G HA3 -0.225 3.730 3.960 -0.009 0.000 0.216 158 G C 1.429 176.578 174.900 0.415 0.000 1.162 158 G CA 0.378 45.740 45.100 0.437 0.000 0.777 158 G HN 0.290 nan 8.290 nan 0.000 0.539 159 R N 0.446 121.106 120.500 0.267 0.000 2.091 159 R HA -0.058 4.276 4.340 -0.009 0.000 0.238 159 R C 3.011 179.417 176.300 0.177 0.000 1.136 159 R CA 1.301 57.517 56.100 0.195 0.000 0.959 159 R CB -0.368 30.007 30.300 0.125 0.000 0.856 159 R HN 0.362 nan 8.270 nan 0.000 0.437 160 A N 0.329 123.251 122.820 0.169 0.000 1.898 160 A HA -0.217 4.098 4.320 -0.009 0.000 0.216 160 A C 1.990 179.657 177.584 0.139 0.000 1.181 160 A CA 1.227 53.341 52.037 0.129 0.000 0.620 160 A CB -0.765 18.304 19.000 0.114 0.000 0.819 160 A HN 0.526 nan 8.150 nan 0.000 0.442 161 Y N -1.174 119.174 120.300 0.079 0.000 2.097 161 Y HA -0.318 4.228 4.550 -0.007 0.000 0.282 161 Y C 2.243 178.122 175.900 -0.034 0.000 1.152 161 Y CA 2.265 60.377 58.100 0.019 0.000 1.136 161 Y CB -0.477 38.007 38.460 0.040 0.000 0.975 161 Y HN 0.342 nan 8.280 nan 0.000 0.498 162 Y N 0.064 120.211 120.300 -0.255 0.000 2.224 162 Y HA -0.217 4.327 4.550 -0.010 0.000 0.289 162 Y C 2.684 178.438 175.900 -0.242 0.000 1.146 162 Y CA 1.367 59.240 58.100 -0.378 0.000 1.182 162 Y CB -0.783 37.516 38.460 -0.270 0.000 0.983 162 Y HN 0.318 nan 8.280 nan 0.000 0.524 163 A N 0.298 123.126 122.820 0.012 0.000 1.883 163 A HA -0.224 4.091 4.320 -0.009 0.000 0.217 163 A C 2.267 179.834 177.584 -0.029 0.000 1.186 163 A CA 1.815 53.847 52.037 -0.008 0.000 0.624 163 A CB -0.561 18.451 19.000 0.021 0.000 0.822 163 A HN 0.379 nan 8.150 nan 0.000 0.444 164 R N -2.178 118.298 120.500 -0.041 0.000 2.075 164 R HA -0.093 4.242 4.340 -0.009 0.000 0.232 164 R C 2.012 178.305 176.300 -0.013 0.000 1.126 164 R CA 1.437 57.517 56.100 -0.034 0.000 0.963 164 R CB -0.475 29.797 30.300 -0.047 0.000 0.858 164 R HN 0.556 nan 8.270 nan 0.000 0.435 165 F N 2.067 121.830 119.950 -0.312 0.000 2.102 165 F HA -0.173 4.348 4.527 -0.010 0.000 0.298 165 F C 2.321 177.995 175.800 -0.210 0.000 1.105 165 F CA 1.534 59.341 58.000 -0.321 0.000 1.239 165 F CB -0.552 38.038 39.000 -0.684 0.000 0.991 165 F HN 0.029 nan 8.300 nan 0.000 0.474 166 E N -0.166 120.023 120.200 -0.019 0.000 2.077 166 E HA -0.204 4.141 4.350 -0.009 0.000 0.193 166 E C 2.253 178.817 176.600 -0.061 0.000 0.989 166 E CA 1.125 57.450 56.400 -0.125 0.000 0.800 166 E CB -0.265 29.332 29.700 -0.173 0.000 0.746 166 E HN 0.379 nan 8.360 nan 0.000 0.452 167 A N 0.464 123.278 122.820 -0.009 0.000 1.933 167 A HA -0.187 4.128 4.320 -0.009 0.000 0.218 167 A C 1.843 179.449 177.584 0.037 0.000 1.175 167 A CA 1.330 53.368 52.037 0.001 0.000 0.628 167 A CB -1.098 17.910 19.000 0.013 0.000 0.814 167 A HN 0.668 nan 8.150 nan 0.000 0.444 168 W N 0.648 121.878 121.300 -0.115 0.000 2.381 168 W HA -0.108 4.547 4.660 -0.008 0.000 0.301 168 W C 1.728 178.142 176.519 -0.174 0.000 1.205 168 W CA 1.677 58.941 57.345 -0.135 0.000 1.285 168 W CB -0.353 29.010 29.460 -0.161 0.000 1.133 168 W HN 0.239 nan 8.180 nan 0.000 0.521 169 L N 0.562 121.647 121.223 -0.229 0.000 2.046 169 L HA -0.225 4.110 4.340 -0.009 0.000 0.208 169 L C 2.512 179.150 176.870 -0.388 0.000 1.077 169 L CA 1.707 56.239 54.840 -0.514 0.000 0.747 169 L CB -0.822 40.962 42.059 -0.459 0.000 0.896 169 L HN -0.074 nan 8.230 nan 0.000 0.432 170 K N -0.206 120.050 120.400 -0.241 0.000 2.097 170 K HA -0.163 4.152 4.320 -0.009 0.000 0.205 170 K C 1.984 178.478 176.600 -0.176 0.000 1.050 170 K CA 1.028 57.206 56.287 -0.181 0.000 0.938 170 K CB -0.046 32.381 32.500 -0.122 0.000 0.718 170 K HN 0.288 nan 8.250 nan 0.000 0.442 171 E N 0.722 120.818 120.200 -0.174 0.000 2.130 171 E HA -0.171 4.174 4.350 -0.009 0.000 0.196 171 E C 1.070 177.541 176.600 -0.215 0.000 0.998 171 E CA 0.903 57.209 56.400 -0.157 0.000 0.806 171 E CB -0.007 29.612 29.700 -0.136 0.000 0.738 171 E HN 0.291 nan 8.360 nan 0.000 0.459 172 N N -0.627 117.867 118.700 -0.343 0.000 2.313 172 N HA 0.021 4.755 4.740 -0.009 0.000 0.207 172 N C 0.625 175.963 175.510 -0.287 0.000 1.141 172 N CA 0.743 53.572 53.050 -0.368 0.000 0.830 172 N CB 1.338 39.461 38.487 -0.606 0.000 1.008 172 N HN 0.235 nan 8.380 nan 0.000 0.481 173 G N 1.172 109.837 108.800 -0.224 0.000 2.143 173 G HA2 -0.262 3.692 3.960 -0.009 0.000 0.248 173 G HA3 -0.262 3.692 3.960 -0.009 0.000 0.248 173 G C 0.001 174.798 174.900 -0.171 0.000 0.991 173 G CA -0.172 44.827 45.100 -0.168 0.000 0.689 173 G HN 0.339 nan 8.290 nan 0.000 0.522 174 I N 1.447 121.883 120.570 -0.223 0.000 2.339 174 I HA 0.359 4.523 4.170 -0.009 0.000 0.290 174 I C 1.540 177.548 176.117 -0.183 0.000 0.994 174 I CA 0.006 61.182 61.300 -0.207 0.000 1.191 174 I CB 1.736 39.559 38.000 -0.295 0.000 1.343 174 I HN 0.189 nan 8.210 nan 0.000 0.458 175 T N 0.229 114.708 114.554 -0.125 0.000 3.040 175 T HA 0.203 4.547 4.350 -0.009 0.000 0.250 175 T C 0.631 175.280 174.700 -0.085 0.000 1.058 175 T CA -0.259 61.780 62.100 -0.103 0.000 0.988 175 T CB -0.055 68.769 68.868 -0.073 0.000 0.993 175 T HN 0.472 nan 8.240 nan 0.000 0.519 176 E N 2.088 122.245 120.200 -0.073 0.000 2.442 176 E HA -0.026 4.319 4.350 -0.009 0.000 0.262 176 E C -0.001 176.568 176.600 -0.053 0.000 1.004 176 E CA -0.146 56.237 56.400 -0.028 0.000 0.928 176 E CB 0.307 30.022 29.700 0.026 0.000 0.937 176 E HN 0.407 nan 8.360 nan 0.000 0.446 177 H N 3.824 122.834 119.070 -0.100 0.000 2.972 177 H HA -0.032 4.519 4.556 -0.009 0.000 0.343 177 H C -1.744 173.475 175.328 -0.181 0.000 1.054 177 H CA -1.198 54.768 56.048 -0.136 0.000 1.412 177 H CB 0.988 30.679 29.762 -0.119 0.000 1.385 177 H HN 0.307 nan 8.280 nan 0.000 0.600 178 P HA -0.191 nan 4.420 nan 0.000 0.218 178 P C 0.982 178.117 177.300 -0.274 0.000 1.154 178 P CA 1.596 64.202 63.100 -0.823 0.000 0.872 178 P CB 0.309 31.208 31.700 -1.335 0.000 0.790 179 D N -1.748 118.783 120.400 0.219 0.000 2.178 179 D HA -0.094 4.541 4.640 -0.009 0.000 0.201 179 D C 1.811 178.283 176.300 0.287 0.000 0.980 179 D CA 1.313 55.471 54.000 0.263 0.000 0.842 179 D CB -0.786 40.166 40.800 0.252 0.000 0.948 179 D HN 0.193 nan 8.370 nan 0.000 0.472 180 T N 0.545 115.247 114.554 0.248 0.000 2.737 180 T HA -0.127 4.218 4.350 -0.009 0.000 0.265 180 T C 1.745 176.563 174.700 0.196 0.000 1.038 180 T CA 0.622 62.860 62.100 0.231 0.000 1.144 180 T CB -0.487 68.442 68.868 0.102 0.000 0.866 180 T HN 0.168 nan 8.240 nan 0.000 0.434 181 F N 2.139 122.072 119.950 -0.030 0.000 2.095 181 F HA -0.040 4.482 4.527 -0.009 0.000 0.298 181 F C 2.395 178.178 175.800 -0.029 0.000 1.104 181 F CA 1.314 59.270 58.000 -0.074 0.000 1.232 181 F CB -0.424 38.469 39.000 -0.177 0.000 0.987 181 F HN 0.137 nan 8.300 nan 0.000 0.475 182 A N -1.049 121.768 122.820 -0.004 0.000 1.898 182 A HA -0.020 4.295 4.320 -0.009 0.000 0.214 182 A C 2.163 179.750 177.584 0.005 0.000 1.183 182 A CA 1.607 53.645 52.037 0.001 0.000 0.622 182 A CB -0.855 18.261 19.000 0.193 0.000 0.824 182 A HN 0.386 nan 8.150 nan 0.000 0.444 183 S N -1.279 114.414 115.700 -0.011 0.000 2.523 183 S HA 0.167 4.632 4.470 -0.009 0.000 0.217 183 S C -0.314 173.954 174.600 -0.553 0.000 0.996 183 S CA -0.187 57.871 58.200 -0.238 0.000 0.921 183 S CB -0.032 63.021 63.200 -0.245 0.000 0.829 183 S HN 0.684 nan 8.310 nan 0.000 0.495 184 H N 1.836 120.916 119.070 0.016 0.000 2.448 184 H HA 0.312 4.862 4.556 -0.009 0.000 0.237 184 H C -2.736 172.566 175.328 -0.043 0.000 1.391 184 H CA -1.628 54.430 56.048 0.017 0.000 1.477 184 H CB 0.499 30.274 29.762 0.023 0.000 1.520 184 H HN 0.165 nan 8.280 nan 0.000 0.502 185 P HA 0.024 nan 4.420 nan 0.000 0.271 185 P C -1.880 175.332 177.300 -0.146 0.000 1.218 185 P CA -1.277 61.769 63.100 -0.090 0.000 0.780 185 P CB 1.664 33.297 31.700 -0.112 0.000 0.901 186 P HA -0.031 nan 4.420 nan 0.000 0.221 186 P C 0.410 177.599 177.300 -0.184 0.000 1.150 186 P CA 1.321 64.347 63.100 -0.124 0.000 0.800 186 P CB 0.438 32.092 31.700 -0.077 0.000 0.787 187 R N -0.552 119.826 120.500 -0.203 0.000 2.535 187 R HA 0.594 4.929 4.340 -0.009 0.000 0.274 187 R C -1.673 174.483 176.300 -0.239 0.000 1.090 187 R CA -0.498 55.469 56.100 -0.222 0.000 0.930 187 R CB 1.238 31.457 30.300 -0.135 0.000 1.223 187 R HN -0.162 nan 8.270 nan 0.000 0.441 188 S N 4.571 120.108 115.700 -0.272 0.000 2.548 188 S HA 0.624 5.089 4.470 -0.009 0.000 0.276 188 S C -1.480 173.053 174.600 -0.113 0.000 1.129 188 S CA -0.739 57.351 58.200 -0.183 0.000 0.931 188 S CB 0.769 63.899 63.200 -0.117 0.000 1.068 188 S HN 0.485 nan 8.310 nan 0.000 0.480 189 L N 3.878 125.035 121.223 -0.111 0.000 2.317 189 L HA 0.688 5.023 4.340 -0.009 0.000 0.281 189 L C -0.830 175.950 176.870 -0.150 0.000 1.024 189 L CA -1.072 53.701 54.840 -0.111 0.000 0.810 189 L CB 1.851 43.862 42.059 -0.079 0.000 1.240 189 L HN 0.408 nan 8.230 nan 0.000 0.427 190 V N 4.692 124.452 119.914 -0.257 0.000 2.357 190 V HA 0.258 4.373 4.120 -0.009 0.000 0.284 190 V C 0.592 176.594 176.094 -0.153 0.000 1.018 190 V CA -0.372 61.724 62.300 -0.340 0.000 0.841 190 V CB 1.672 32.946 31.823 -0.915 0.000 0.991 190 V HN 0.629 nan 8.190 nan 0.000 0.437 191 L N 6.323 127.508 121.223 -0.065 0.000 2.805 191 L HA 0.441 4.776 4.340 -0.009 0.000 0.237 191 L C 0.229 177.124 176.870 0.040 0.000 1.252 191 L CA 0.381 55.221 54.840 0.001 0.000 1.064 191 L CB -0.588 41.472 42.059 0.001 0.000 1.361 191 L HN 0.659 nan 8.230 nan 0.000 0.474 192 I N -3.738 116.885 120.570 0.088 0.000 2.892 192 I HA 0.659 4.824 4.170 -0.009 0.000 0.306 192 I C -2.648 173.603 176.117 0.224 0.000 1.078 192 I CA -2.687 58.690 61.300 0.129 0.000 1.032 192 I CB 2.176 40.248 38.000 0.120 0.000 1.229 192 I HN -0.214 nan 8.210 nan 0.000 0.435 193 P HA 0.091 nan 4.420 nan 0.000 0.271 193 P C -0.202 177.118 177.300 0.034 0.000 1.216 193 P CA -0.206 62.956 63.100 0.103 0.000 0.776 193 P CB 1.109 32.830 31.700 0.035 0.000 0.881 194 K N 2.441 122.743 120.400 -0.163 0.000 2.280 194 K HA -0.136 4.179 4.320 -0.009 0.000 0.202 194 K C 1.843 178.241 176.600 -0.337 0.000 1.047 194 K CA 1.251 57.164 56.287 -0.624 0.000 0.942 194 K CB -0.474 31.506 32.500 -0.867 0.000 0.739 194 K HN 0.482 nan 8.250 nan 0.000 0.457 195 A N 0.671 123.385 122.820 -0.177 0.000 2.024 195 A HA -0.113 4.202 4.320 -0.009 0.000 0.220 195 A C 1.588 179.108 177.584 -0.106 0.000 1.164 195 A CA 1.147 53.109 52.037 -0.124 0.000 0.643 195 A CB -0.243 18.713 19.000 -0.073 0.000 0.806 195 A HN 0.313 nan 8.150 nan 0.000 0.451 196 L N -0.728 120.448 121.223 -0.078 0.000 2.791 196 L HA 0.187 4.522 4.340 -0.009 0.000 0.239 196 L C 0.394 177.243 176.870 -0.035 0.000 1.203 196 L CA -0.294 54.517 54.840 -0.049 0.000 1.002 196 L CB 0.122 42.173 42.059 -0.013 0.000 1.295 196 L HN 0.361 nan 8.230 nan 0.000 0.504 197 Q N 1.776 121.526 119.800 -0.084 0.000 2.340 197 Q HA 0.388 4.723 4.340 -0.009 0.000 0.259 197 Q C -2.526 173.388 176.000 -0.143 0.000 0.964 197 Q CA -1.984 53.790 55.803 -0.048 0.000 0.900 197 Q CB 1.477 30.164 28.738 -0.085 0.000 1.228 197 Q HN -0.112 nan 8.270 nan 0.000 0.449 198 P HA 0.027 nan 4.420 nan 0.000 0.268 198 P C -0.975 176.005 177.300 -0.534 0.000 1.205 198 P CA 0.322 63.174 63.100 -0.414 0.000 0.771 198 P CB 0.391 31.857 31.700 -0.391 0.000 0.858 199 H N 0.375 119.141 119.070 -0.507 0.000 2.713 199 H HA -0.203 4.347 4.556 -0.010 0.000 0.311 199 H C 1.283 176.443 175.328 -0.281 0.000 1.175 199 H CA 0.667 56.388 56.048 -0.544 0.000 1.143 199 H CB -1.768 27.258 29.762 -1.228 0.000 1.434 199 H HN 0.574 nan 8.280 nan 0.000 0.418 200 A N 0.221 122.940 122.820 -0.168 0.000 1.972 200 A HA -0.171 4.144 4.320 -0.009 0.000 0.219 200 A C 2.085 179.633 177.584 -0.059 0.000 1.169 200 A CA 1.765 53.718 52.037 -0.140 0.000 0.635 200 A CB -0.009 18.839 19.000 -0.254 0.000 0.810 200 A HN 0.324 nan 8.150 nan 0.000 0.446 201 D N -0.631 119.742 120.400 -0.046 0.000 2.310 201 D HA -0.056 4.579 4.640 -0.009 0.000 0.212 201 D C 1.788 178.122 176.300 0.056 0.000 0.965 201 D CA 0.748 54.747 54.000 -0.003 0.000 0.879 201 D CB -0.150 40.643 40.800 -0.011 0.000 0.921 201 D HN 0.473 nan 8.370 nan 0.000 0.510 202 R N -0.166 120.390 120.500 0.094 0.000 2.362 202 R HA 0.164 4.499 4.340 -0.009 0.000 0.227 202 R C 0.100 176.555 176.300 0.257 0.000 0.905 202 R CA -0.124 56.080 56.100 0.173 0.000 1.067 202 R CB 0.996 31.416 30.300 0.200 0.000 1.078 202 R HN -0.017 nan 8.270 nan 0.000 0.516 203 V N 2.354 122.411 119.914 0.239 0.000 2.637 203 V HA -0.044 4.071 4.120 -0.009 0.000 0.296 203 V C 0.352 176.621 176.094 0.290 0.000 1.046 203 V CA -0.262 62.208 62.300 0.283 0.000 1.066 203 V CB 1.124 33.116 31.823 0.282 0.000 0.968 203 V HN 0.076 nan 8.190 nan 0.000 0.483 204 D N 3.888 124.506 120.400 0.363 0.000 2.359 204 D HA 0.030 4.665 4.640 -0.009 0.000 0.250 204 D C 1.340 177.822 176.300 0.303 0.000 1.264 204 D CA -0.186 53.992 54.000 0.296 0.000 0.911 204 D CB 0.895 41.855 40.800 0.266 0.000 1.056 204 D HN 0.804 nan 8.370 nan 0.000 0.499 205 E N 2.121 122.450 120.200 0.216 0.000 2.409 205 E HA -0.156 4.189 4.350 -0.009 0.000 0.198 205 E C 0.365 177.033 176.600 0.113 0.000 1.024 205 E CA 0.493 57.006 56.400 0.189 0.000 0.861 205 E CB 0.185 29.974 29.700 0.148 0.000 0.788 205 E HN 0.323 nan 8.360 nan 0.000 0.521 206 D N 0.790 121.238 120.400 0.080 0.000 2.277 206 D HA -0.046 4.589 4.640 -0.009 0.000 0.208 206 D C 1.896 178.174 176.300 -0.036 0.000 0.962 206 D CA 0.634 54.648 54.000 0.024 0.000 0.865 206 D CB 0.460 41.271 40.800 0.019 0.000 0.939 206 D HN 0.156 nan 8.370 nan 0.000 0.510 207 V N -0.446 119.421 119.914 -0.078 0.000 2.581 207 V HA -0.016 4.099 4.120 -0.009 0.000 0.240 207 V C 0.237 176.096 176.094 -0.392 0.000 1.054 207 V CA 0.691 62.801 62.300 -0.317 0.000 1.076 207 V CB -0.029 31.461 31.823 -0.554 0.000 0.748 207 V HN 0.040 nan 8.190 nan 0.000 0.474 208 Y N 0.151 120.453 120.300 0.003 0.000 2.341 208 Y HA 0.573 5.118 4.550 -0.008 0.000 0.337 208 Y C 0.214 176.102 175.900 -0.019 0.000 1.014 208 Y CA -0.497 57.568 58.100 -0.059 0.000 1.111 208 Y CB 1.556 39.979 38.460 -0.062 0.000 1.194 208 Y HN -0.083 nan 8.280 nan 0.000 0.462 209 T N 4.394 118.981 114.554 0.056 0.000 2.809 209 T HA 0.402 4.747 4.350 -0.009 0.000 0.284 209 T C -0.813 173.878 174.700 -0.014 0.000 0.992 209 T CA -0.772 61.381 62.100 0.087 0.000 0.957 209 T CB 0.207 69.108 68.868 0.054 0.000 0.942 209 T HN 0.257 nan 8.240 nan 0.000 0.439 210 F N 2.652 122.643 119.950 0.068 0.000 2.445 210 F HA 0.265 4.787 4.527 -0.009 0.000 0.359 210 F C 1.539 177.359 175.800 0.033 0.000 1.101 210 F CA -0.469 57.558 58.000 0.045 0.000 1.177 210 F CB 0.869 39.888 39.000 0.031 0.000 1.110 210 F HN 0.444 nan 8.300 nan 0.000 0.522 211 V N 1.150 121.137 119.914 0.121 0.000 3.643 211 V HA 0.582 4.697 4.120 -0.009 0.000 0.280 211 V C 0.992 177.140 176.094 0.090 0.000 1.351 211 V CA 0.229 62.581 62.300 0.088 0.000 1.073 211 V CB -0.497 31.349 31.823 0.039 0.000 0.863 211 V HN 1.087 nan 8.190 nan 0.000 0.436 212 G N 0.746 109.617 108.800 0.118 0.000 2.750 212 G HA2 0.155 4.110 3.960 -0.009 0.000 0.228 212 G HA3 0.155 4.110 3.960 -0.009 0.000 0.228 212 G C 0.175 175.112 174.900 0.062 0.000 1.367 212 G CA -0.054 45.105 45.100 0.097 0.000 0.871 212 G HN 1.832 nan 8.290 nan 0.000 0.560 213 A N -1.289 121.562 122.820 0.051 0.000 2.477 213 A HA 0.474 4.789 4.320 -0.009 0.000 0.246 213 A C 0.738 178.344 177.584 0.036 0.000 1.078 213 A CA 0.764 52.824 52.037 0.039 0.000 0.770 213 A CB 0.155 19.176 19.000 0.035 0.000 1.011 213 A HN 1.810 nan 8.150 nan 0.000 0.494 214 C N 2.892 122.213 119.300 0.035 0.000 2.376 214 C HA 0.642 5.097 4.460 -0.009 0.000 0.341 214 C C 1.097 176.108 174.990 0.035 0.000 1.106 214 C CA 0.044 59.083 59.018 0.035 0.000 1.631 214 C CB -1.226 26.535 27.740 0.036 0.000 1.649 214 C HN 1.068 nan 8.230 nan 0.000 0.456 222 G N -0.616 108.254 108.800 0.118 0.000 2.603 222 G HA2 0.348 4.303 3.960 -0.009 0.000 0.686 222 G HA3 0.348 4.303 3.960 -0.009 0.000 0.686 222 G C -0.025 174.929 174.900 0.089 0.000 1.286 222 G CA -0.275 44.887 45.100 0.103 0.000 0.871 222 G HN 0.877 nan 8.290 nan 0.000 0.568 223 G N -1.740 107.110 108.800 0.084 0.000 2.705 223 G HA2 0.761 4.716 3.960 -0.009 0.000 0.299 223 G HA3 0.761 4.716 3.960 -0.009 0.000 0.299 223 G C -1.292 173.711 174.900 0.172 0.000 1.315 223 G CA -0.055 45.101 45.100 0.092 0.000 1.045 223 G HN 1.710 nan 8.290 nan 0.000 0.517 224 W N -1.607 119.658 121.300 -0.057 0.000 3.573 224 W HA 0.570 5.226 4.660 -0.008 0.000 0.306 224 W C -0.424 176.059 176.519 -0.061 0.000 1.227 224 W CA -0.257 57.047 57.345 -0.068 0.000 1.212 224 W CB 0.911 30.312 29.460 -0.099 0.000 1.331 224 W HN 0.854 nan 8.180 nan 0.000 0.524 225 Q N 4.383 123.697 119.800 -0.809 0.000 2.333 225 Q HA 0.652 4.987 4.340 -0.009 0.000 0.267 225 Q C -0.408 174.840 176.000 -1.254 0.000 1.012 225 Q CA -0.980 54.394 55.803 -0.715 0.000 0.824 225 Q CB 1.627 30.101 28.738 -0.441 0.000 1.290 225 Q HN 0.666 nan 8.270 nan 0.000 0.449 226 R N 2.426 122.431 120.500 -0.826 0.000 2.570 226 R HA 0.281 4.616 4.340 -0.009 0.000 0.277 226 R C -2.096 173.892 176.300 -0.520 0.000 1.039 226 R CA -1.200 54.505 56.100 -0.660 0.000 1.065 226 R CB -0.125 30.056 30.300 -0.198 0.000 0.964 226 R HN 0.516 nan 8.270 nan 0.000 0.428 227 P HA -0.043 nan 4.420 nan 0.000 0.265 227 P C -0.760 176.401 177.300 -0.232 0.000 1.193 227 P CA 0.153 63.030 63.100 -0.371 0.000 0.765 227 P CB 0.623 32.049 31.700 -0.457 0.000 0.823 228 A N 3.231 125.945 122.820 -0.177 0.000 2.546 228 A HA 0.400 4.715 4.320 -0.009 0.000 0.243 228 A C 1.620 179.149 177.584 -0.091 0.000 1.063 228 A CA 0.727 52.691 52.037 -0.121 0.000 0.757 228 A CB -1.181 17.761 19.000 -0.097 0.000 0.991 228 A HN 0.913 nan 8.150 nan 0.000 0.503 229 G N 0.958 109.714 108.800 -0.074 0.000 2.205 229 G HA2 0.104 4.059 3.960 -0.009 0.000 0.261 229 G HA3 0.104 4.059 3.960 -0.009 0.000 0.261 229 G C 0.652 175.525 174.900 -0.045 0.000 0.980 229 G CA 0.504 45.574 45.100 -0.050 0.000 0.632 229 G HN 2.295 nan 8.290 nan 0.000 0.533 230 A N 0.222 123.006 122.820 -0.060 0.000 2.491 230 A HA 0.568 4.883 4.320 -0.009 0.000 0.261 230 A C 1.099 178.639 177.584 -0.074 0.000 1.101 230 A CA 1.265 53.277 52.037 -0.041 0.000 0.772 230 A CB 0.334 19.314 19.000 -0.035 0.000 1.043 230 A HN 0.648 nan 8.150 nan 0.000 0.501 231 E N 1.481 121.618 120.200 -0.105 0.000 2.060 231 E HA 0.018 4.363 4.350 -0.009 0.000 0.189 231 E C 0.256 176.689 176.600 -0.277 0.000 0.974 231 E CA 1.104 57.405 56.400 -0.165 0.000 0.808 231 E CB 0.069 29.672 29.700 -0.162 0.000 0.768 231 E HN 0.649 nan 8.360 nan 0.000 0.453 232 K N 0.532 120.666 120.400 -0.443 0.000 2.463 232 K HA 0.503 4.818 4.320 -0.009 0.000 0.255 232 K C -1.007 175.377 176.600 -0.359 0.000 0.942 232 K CA -0.547 55.332 56.287 -0.681 0.000 0.814 232 K CB 2.047 33.497 32.500 -1.750 0.000 1.122 232 K HN -0.008 nan 8.250 nan 0.000 0.425 233 V N 2.847 122.662 119.914 -0.165 0.000 2.394 233 V HA 0.358 4.473 4.120 -0.009 0.000 0.282 233 V C -0.335 175.747 176.094 -0.020 0.000 1.031 233 V CA -0.956 61.360 62.300 0.026 0.000 0.881 233 V CB 1.851 33.763 31.823 0.147 0.000 0.982 233 V HN 0.468 nan 8.190 nan 0.000 0.451 234 V N 7.481 127.386 119.914 -0.014 0.000 2.448 234 V HA 0.640 4.755 4.120 -0.009 0.000 0.295 234 V C -0.820 175.192 176.094 -0.136 0.000 1.025 234 V CA -0.673 61.569 62.300 -0.097 0.000 0.859 234 V CB 1.685 33.300 31.823 -0.346 0.000 0.988 234 V HN 0.748 nan 8.190 nan 0.000 0.431 235 L N 7.703 128.882 121.223 -0.073 0.000 2.289 235 L HA 0.693 5.028 4.340 -0.009 0.000 0.285 235 L C -0.644 176.296 176.870 0.117 0.000 1.049 235 L CA 0.217 55.015 54.840 -0.070 0.000 0.804 235 L CB 1.727 43.669 42.059 -0.194 0.000 1.195 235 L HN 0.506 nan 8.230 nan 0.000 0.428 236 V N 4.517 124.470 119.914 0.065 0.000 2.384 236 V HA 0.685 4.800 4.120 -0.009 0.000 0.287 236 V C -0.216 175.979 176.094 0.169 0.000 1.020 236 V CA -0.287 62.113 62.300 0.167 0.000 0.850 236 V CB 1.249 33.153 31.823 0.134 0.000 0.987 236 V HN 0.848 nan 8.190 nan 0.000 0.436 237 S N 5.129 120.999 115.700 0.284 0.000 2.689 237 S HA 0.495 4.960 4.470 -0.009 0.000 0.274 237 S C -0.289 174.414 174.600 0.171 0.000 1.176 237 S CA -0.584 57.741 58.200 0.208 0.000 1.014 237 S CB 1.071 64.386 63.200 0.190 0.000 1.071 237 S HN 0.597 nan 8.310 nan 0.000 0.478 238 L N 4.587 125.848 121.223 0.063 0.000 2.783 238 L HA 0.426 4.761 4.340 -0.009 0.000 0.236 238 L C 1.419 177.836 176.870 -0.754 0.000 1.225 238 L CA 0.271 54.974 54.840 -0.228 0.000 1.026 238 L CB -0.972 41.036 42.059 -0.086 0.000 1.314 238 L HN 1.053 nan 8.230 nan 0.000 0.489 239 G N 0.154 108.726 108.800 -0.379 0.000 2.499 239 G HA2 -0.268 3.687 3.960 -0.009 0.000 0.232 239 G HA3 -0.268 3.687 3.960 -0.009 0.000 0.232 239 G C 0.352 175.191 174.900 -0.102 0.000 1.251 239 G CA 0.001 44.951 45.100 -0.250 0.000 0.917 239 G HN 0.120 nan 8.290 nan 0.000 0.580 240 S N 0.118 115.793 115.700 -0.041 0.000 2.540 240 S HA 0.563 5.028 4.470 -0.009 0.000 0.222 240 S C 1.610 176.221 174.600 0.018 0.000 1.008 240 S CA 1.228 59.442 58.200 0.023 0.000 0.939 240 S CB 0.787 64.020 63.200 0.055 0.000 0.865 240 S HN 1.591 nan 8.310 nan 0.000 0.499 241 A N 0.447 123.262 122.820 -0.008 0.000 1.921 241 A HA 0.545 4.860 4.320 -0.009 0.000 0.202 241 A C 1.074 178.659 177.584 0.001 0.000 1.721 241 A CA 0.337 52.383 52.037 0.014 0.000 1.025 241 A CB -0.467 18.555 19.000 0.035 0.000 1.060 241 A HN 0.500 nan 8.150 nan 0.000 0.535 242 F N 3.079 123.007 119.950 -0.037 0.000 2.913 242 F HA 0.508 5.030 4.527 -0.009 0.000 0.306 242 F C 1.015 176.787 175.800 -0.047 0.000 1.205 242 F CA 0.474 58.452 58.000 -0.037 0.000 1.359 242 F CB -1.746 nan 39.000 nan 0.000 1.260 242 F HN 0.405 nan 8.300 nan 0.000 0.545 246 P HA -0.158 nan 4.420 nan 0.000 0.216 246 P C 1.175 178.493 177.300 0.030 0.000 1.153 246 P CA 1.740 64.879 63.100 0.064 0.000 0.848 246 P CB 0.282 32.032 31.700 0.084 0.000 0.787 247 A N -0.109 122.713 122.820 0.003 0.000 1.877 247 A HA -0.193 4.122 4.320 -0.009 0.000 0.216 247 A C 2.229 179.827 177.584 0.023 0.000 1.186 247 A CA 1.569 53.616 52.037 0.016 0.000 0.620 247 A CB -1.902 17.109 19.000 0.018 0.000 0.822 247 A HN 0.189 nan 8.150 nan 0.000 0.443 248 F N -0.580 119.282 119.950 -0.146 0.000 2.126 248 F HA -0.247 4.276 4.527 -0.007 0.000 0.299 248 F C 2.119 177.887 175.800 -0.054 0.000 1.096 248 F CA 1.898 59.811 58.000 -0.144 0.000 1.255 248 F CB -0.259 38.599 39.000 -0.237 0.000 0.997 248 F HN 0.307 nan 8.300 nan 0.000 0.479 249 Y N 0.767 121.016 120.300 -0.085 0.000 2.181 249 Y HA -0.146 4.400 4.550 -0.007 0.000 0.288 249 Y C 2.578 178.375 175.900 -0.172 0.000 1.146 249 Y CA 1.292 59.288 58.100 -0.173 0.000 1.164 249 Y CB -1.185 37.261 38.460 -0.024 0.000 0.982 249 Y HN 0.031 nan 8.280 nan 0.000 0.515 250 R N -0.026 120.499 120.500 0.043 0.000 2.105 250 R HA -0.162 4.173 4.340 -0.009 0.000 0.239 250 R C 1.956 178.210 176.300 -0.077 0.000 1.135 250 R CA 1.391 57.485 56.100 -0.010 0.000 0.967 250 R CB -0.191 30.111 30.300 0.002 0.000 0.861 250 R HN 0.294 nan 8.270 nan 0.000 0.442 251 E N 0.265 120.385 120.200 -0.134 0.000 2.106 251 E HA -0.144 4.201 4.350 -0.009 0.000 0.192 251 E C 2.120 178.574 176.600 -0.243 0.000 0.984 251 E CA 0.860 57.155 56.400 -0.176 0.000 0.806 251 E CB -0.403 29.202 29.700 -0.158 0.000 0.750 251 E HN 0.331 nan 8.360 nan 0.000 0.458 252 C N 0.261 119.379 119.300 -0.304 0.000 2.429 252 C HA -0.082 4.373 4.460 -0.009 0.000 0.277 252 C C 2.844 177.821 174.990 -0.023 0.000 1.262 252 C CA 0.480 59.395 59.018 -0.173 0.000 1.733 252 C CB -0.915 26.731 27.740 -0.157 0.000 2.010 252 C HN 0.193 nan 8.230 nan 0.000 0.483 253 V N 0.522 120.413 119.914 -0.038 0.000 2.343 253 V HA -0.216 3.899 4.120 -0.009 0.000 0.247 253 V C 2.631 178.695 176.094 -0.050 0.000 1.051 253 V CA 1.853 64.147 62.300 -0.010 0.000 1.036 253 V CB -0.671 31.143 31.823 -0.016 0.000 0.654 253 V HN 0.484 nan 8.190 nan 0.000 0.451 254 R N -0.474 119.966 120.500 -0.100 0.000 2.115 254 R HA -0.076 4.259 4.340 -0.009 0.000 0.230 254 R C 2.385 178.554 176.300 -0.218 0.000 1.111 254 R CA 1.265 57.288 56.100 -0.128 0.000 0.976 254 R CB -0.408 29.821 30.300 -0.118 0.000 0.870 254 R HN 0.553 nan 8.270 nan 0.000 0.445 255 A N 0.115 122.725 122.820 -0.351 0.000 1.877 255 A HA -0.133 4.182 4.320 -0.009 0.000 0.216 255 A C 1.503 178.627 177.584 -0.767 0.000 1.186 255 A CA 1.303 52.939 52.037 -0.667 0.000 0.620 255 A CB -0.294 18.080 19.000 -1.043 0.000 0.822 255 A HN 0.276 nan 8.150 nan 0.000 0.443 256 F N -0.184 119.652 119.950 -0.191 0.000 2.720 256 F HA 0.295 4.816 4.527 -0.009 0.000 0.301 256 F C 1.663 177.407 175.800 -0.094 0.000 1.103 256 F CA -0.462 57.422 58.000 -0.193 0.000 1.291 256 F CB -0.464 38.454 39.000 -0.137 0.000 1.086 256 F HN 0.178 nan 8.300 nan 0.000 0.592 257 G N 0.632 109.462 108.800 0.050 0.000 2.254 257 G HA2 0.088 4.043 3.960 -0.009 0.000 0.253 257 G HA3 0.088 4.043 3.960 -0.009 0.000 0.253 257 G C 0.382 175.297 174.900 0.026 0.000 1.246 257 G CA 0.211 45.331 45.100 0.033 0.000 0.946 257 G HN 0.616 nan 8.290 nan 0.000 0.474 258 N N -1.474 117.260 118.700 0.056 0.000 2.753 258 N HA -0.209 4.526 4.740 -0.009 0.000 0.251 258 N C 0.222 175.772 175.510 0.067 0.000 1.097 258 N CA 0.425 53.510 53.050 0.057 0.000 0.786 258 N CB -0.908 37.596 38.487 0.029 0.000 1.137 258 N HN 0.505 nan 8.380 nan 0.000 0.566 259 L N 1.596 122.870 121.223 0.086 0.000 2.385 259 L HA 0.334 4.669 4.340 -0.009 0.000 0.281 259 L C -1.985 175.024 176.870 0.232 0.000 1.106 259 L CA -1.564 53.331 54.840 0.092 0.000 0.856 259 L CB 0.181 42.217 42.059 -0.039 0.000 1.186 259 L HN -0.126 nan 8.230 nan 0.000 0.453 260 P HA 0.144 nan 4.420 nan 0.000 0.261 260 P C 0.735 178.222 177.300 0.312 0.000 1.173 260 P CA 1.145 64.368 63.100 0.205 0.000 0.760 260 P CB 0.549 32.335 31.700 0.143 0.000 0.783 261 G N 0.787 109.722 108.800 0.223 0.000 2.241 261 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.244 261 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.244 261 G C -0.507 174.438 174.900 0.075 0.000 0.998 261 G CA -0.590 44.584 45.100 0.125 0.000 0.621 261 G HN 0.395 nan 8.290 nan 0.000 0.519 262 W N 0.372 121.737 121.300 0.108 0.000 2.496 262 W HA 0.769 5.424 4.660 -0.008 0.000 0.327 262 W C 0.246 176.854 176.519 0.149 0.000 1.086 262 W CA -0.666 56.752 57.345 0.121 0.000 1.222 262 W CB 0.998 30.551 29.460 0.155 0.000 1.304 262 W HN 0.285 nan 8.180 nan 0.000 0.547 263 H N 2.703 121.916 119.070 0.238 0.000 2.609 263 H HA 0.523 5.074 4.556 -0.008 0.000 0.344 263 H C -1.502 173.904 175.328 0.130 0.000 1.040 263 H CA -0.919 55.235 56.048 0.176 0.000 1.216 263 H CB 1.262 31.113 29.762 0.148 0.000 1.529 263 H HN 0.372 nan 8.280 nan 0.000 0.519 264 L N 6.311 127.338 121.223 -0.327 0.000 2.272 264 L HA 0.482 4.817 4.340 -0.009 0.000 0.289 264 L C -1.381 175.320 176.870 -0.283 0.000 1.032 264 L CA -0.568 54.122 54.840 -0.251 0.000 0.810 264 L CB 1.082 43.058 42.059 -0.137 0.000 1.205 264 L HN 0.506 nan 8.230 nan 0.000 0.422 265 V N 6.579 126.402 119.914 -0.152 0.000 2.350 265 V HA 0.368 4.483 4.120 -0.009 0.000 0.276 265 V C -0.350 175.677 176.094 -0.112 0.000 1.028 265 V CA -0.508 61.734 62.300 -0.097 0.000 0.860 265 V CB 1.187 32.894 31.823 -0.193 0.000 0.990 265 V HN 0.622 nan 8.190 nan 0.000 0.453 266 L N 5.136 126.299 121.223 -0.099 0.000 2.280 266 L HA 0.485 4.820 4.340 -0.009 0.000 0.287 266 L C -0.148 176.626 176.870 -0.160 0.000 1.023 266 L CA 0.158 54.912 54.840 -0.143 0.000 0.819 266 L CB 1.418 43.377 42.059 -0.167 0.000 1.212 266 L HN 0.661 nan 8.230 nan 0.000 0.420 267 Q N 5.648 125.344 119.800 -0.173 0.000 2.368 267 Q HA 0.276 4.611 4.340 -0.009 0.000 0.256 267 Q C 0.361 176.202 176.000 -0.265 0.000 0.980 267 Q CA -0.164 55.547 55.803 -0.154 0.000 0.887 267 Q CB 1.127 29.784 28.738 -0.135 0.000 1.221 267 Q HN 0.900 nan 8.270 nan 0.000 0.458 268 I N 0.598 121.010 120.570 -0.264 0.000 4.057 268 I HA 0.429 4.594 4.170 -0.009 0.000 0.334 268 I C 0.832 176.917 176.117 -0.054 0.000 1.308 268 I CA 0.186 61.255 61.300 -0.384 0.000 1.125 268 I CB 0.316 38.094 38.000 -0.370 0.000 1.034 268 I HN 0.645 nan 8.210 nan 0.000 0.401 274 P HA -0.006 nan 4.420 nan 0.000 0.218 274 P C 1.756 179.058 177.300 0.004 0.000 1.146 274 P CA 1.486 64.583 63.100 -0.005 0.000 0.813 274 P CB -0.175 31.514 31.700 -0.017 0.000 0.778 275 A N 0.207 123.034 122.820 0.011 0.000 1.902 275 A HA -0.200 4.115 4.320 -0.009 0.000 0.217 275 A C 2.374 179.969 177.584 0.019 0.000 1.181 275 A CA 2.257 54.301 52.037 0.013 0.000 0.623 275 A CB -1.601 17.408 19.000 0.014 0.000 0.818 275 A HN 0.271 nan 8.150 nan 0.000 0.443 276 E N -0.910 119.307 120.200 0.029 0.000 2.396 276 E HA 0.118 4.463 4.350 -0.009 0.000 0.200 276 E C 1.888 178.513 176.600 0.042 0.000 1.023 276 E CA 1.666 58.089 56.400 0.038 0.000 0.857 276 E CB -1.479 28.253 29.700 0.053 0.000 0.775 276 E HN 1.291 nan 8.360 nan 0.000 0.525 277 L N -1.191 120.054 121.223 0.036 0.000 2.509 277 L HA 0.587 4.922 4.340 -0.009 0.000 0.222 277 L C 1.965 178.845 176.870 0.016 0.000 1.123 277 L CA 1.398 56.258 54.840 0.034 0.000 0.856 277 L CB -1.363 nan 42.059 nan 0.000 0.985 277 L HN 1.273 nan 8.230 nan 0.000 0.456 278 G N -1.729 107.077 108.800 0.011 0.000 2.828 278 G HA2 0.326 4.281 3.960 -0.009 0.000 0.463 278 G HA3 0.326 4.281 3.960 -0.009 0.000 0.463 278 G C -0.044 174.856 174.900 -0.000 0.000 1.394 278 G CA 0.284 45.387 45.100 0.005 0.000 0.862 278 G HN 2.089 nan 8.290 nan 0.000 0.540 279 E N -0.416 119.783 120.200 -0.001 0.000 2.414 279 E HA 0.516 4.861 4.350 -0.009 0.000 0.263 279 E C 0.695 177.292 176.600 -0.005 0.000 1.000 279 E CA 0.651 57.050 56.400 -0.003 0.000 0.914 279 E CB 0.404 30.103 29.700 -0.001 0.000 0.948 279 E HN 1.057 nan 8.360 nan 0.000 0.444 280 L N 3.244 124.463 121.223 -0.007 0.000 2.322 280 L HA 0.489 4.824 4.340 -0.009 0.000 0.279 280 L C -1.962 174.907 176.870 -0.002 0.000 1.036 280 L CA -1.981 52.853 54.840 -0.010 0.000 0.807 280 L CB 1.761 43.808 42.059 -0.021 0.000 1.226 280 L HN 0.521 nan 8.230 nan 0.000 0.433 281 P HA 0.049 nan 4.420 nan 0.000 0.270 281 P C -0.201 177.112 177.300 0.022 0.000 1.223 281 P CA -0.327 62.781 63.100 0.014 0.000 0.785 281 P CB 0.593 32.304 31.700 0.018 0.000 0.923 282 D N 0.210 120.633 120.400 0.039 0.000 2.310 282 D HA -0.105 4.530 4.640 -0.009 0.000 0.212 282 D C 0.923 177.279 176.300 0.093 0.000 0.965 282 D CA 0.929 54.963 54.000 0.057 0.000 0.879 282 D CB -0.362 40.473 40.800 0.057 0.000 0.921 282 D HN 0.448 nan 8.370 nan 0.000 0.510 283 N N 0.430 119.182 118.700 0.087 0.000 2.327 283 N HA -0.006 4.729 4.740 -0.009 0.000 0.231 283 N C -0.655 174.784 175.510 -0.118 0.000 1.130 283 N CA -0.069 53.055 53.050 0.123 0.000 0.845 283 N CB 0.477 39.066 38.487 0.169 0.000 1.073 283 N HN -0.154 nan 8.380 nan 0.000 0.496 284 V N 1.071 120.921 119.914 -0.106 0.000 2.531 284 V HA 0.334 4.449 4.120 -0.009 0.000 0.301 284 V C -0.492 175.530 176.094 -0.120 0.000 1.034 284 V CA -0.922 61.273 62.300 -0.175 0.000 0.865 284 V CB 1.823 33.600 31.823 -0.077 0.000 0.995 284 V HN 0.383 nan 8.190 nan 0.000 0.424 285 E N 4.198 124.317 120.200 -0.135 0.000 2.210 285 E HA 0.787 5.132 4.350 -0.009 0.000 0.266 285 E C -1.696 174.798 176.600 -0.177 0.000 0.883 285 E CA -0.792 55.569 56.400 -0.065 0.000 0.761 285 E CB 2.459 32.260 29.700 0.168 0.000 1.156 285 E HN 0.301 nan 8.360 nan 0.000 0.412 286 V N 3.690 123.408 119.914 -0.326 0.000 2.555 286 V HA 0.408 4.523 4.120 -0.009 0.000 0.302 286 V C -0.495 175.284 176.094 -0.526 0.000 1.038 286 V CA -0.625 61.493 62.300 -0.304 0.000 0.887 286 V CB 1.449 33.161 31.823 -0.186 0.000 0.991 286 V HN 0.721 nan 8.190 nan 0.000 0.434 287 H N 2.681 121.723 119.070 -0.047 0.000 2.961 287 H HA 0.284 4.834 4.556 -0.009 0.000 0.371 287 H C -0.165 175.155 175.328 -0.013 0.000 1.190 287 H CA -0.580 55.464 56.048 -0.006 0.000 1.138 287 H CB 2.471 32.230 29.762 -0.004 0.000 1.816 287 H HN 0.796 nan 8.280 nan 0.000 0.551 288 D N 0.417 120.924 120.400 0.178 0.000 2.289 288 D HA -0.072 4.563 4.640 -0.009 0.000 0.207 288 D C 0.544 176.976 176.300 0.220 0.000 0.966 288 D CA 0.439 54.524 54.000 0.141 0.000 0.868 288 D CB 0.933 41.809 40.800 0.127 0.000 0.943 288 D HN 0.386 nan 8.370 nan 0.000 0.514 289 W N 0.699 122.017 121.300 0.031 0.000 3.372 289 W HA 0.471 5.126 4.660 -0.009 0.000 0.315 289 W C -1.807 174.677 176.519 -0.059 0.000 1.223 289 W CA -1.000 56.337 57.345 -0.014 0.000 1.202 289 W CB 1.376 30.826 29.460 -0.017 0.000 1.367 289 W HN -0.076 nan 8.180 nan 0.000 0.531 290 V N 2.669 121.909 119.914 -1.123 0.000 3.001 290 V HA 0.759 4.873 4.120 -0.009 0.000 0.314 290 V C -2.557 172.428 176.094 -1.848 0.000 1.099 290 V CA -2.757 58.821 62.300 -1.205 0.000 0.989 290 V CB 1.880 33.266 31.823 -0.727 0.000 1.040 290 V HN 0.478 nan 8.190 nan 0.000 0.434 291 P HA 0.164 nan 4.420 nan 0.000 0.263 291 P C 0.287 177.284 177.300 -0.505 0.000 1.601 291 P CA 0.283 63.001 63.100 -0.638 0.000 1.161 291 P CB 0.949 32.535 31.700 -0.190 0.000 1.730 292 Q N 2.397 121.878 119.800 -0.532 0.000 2.050 292 Q HA -0.180 4.155 4.340 -0.009 0.000 0.202 292 Q C 1.635 177.410 176.000 -0.375 0.000 0.980 292 Q CA 1.258 56.782 55.803 -0.465 0.000 0.840 292 Q CB -0.342 28.159 28.738 -0.394 0.000 0.898 292 Q HN 0.237 nan 8.270 nan 0.000 0.424 293 L N 0.562 121.633 121.223 -0.254 0.000 2.046 293 L HA -0.094 4.241 4.340 -0.009 0.000 0.208 293 L C 2.219 178.991 176.870 -0.164 0.000 1.077 293 L CA 2.178 56.906 54.840 -0.187 0.000 0.747 293 L CB -0.888 41.109 42.059 -0.103 0.000 0.896 293 L HN 0.305 nan 8.230 nan 0.000 0.432 294 A N -0.329 122.407 122.820 -0.141 0.000 1.902 294 A HA -0.189 4.125 4.320 -0.009 0.000 0.217 294 A C 2.263 179.799 177.584 -0.080 0.000 1.181 294 A CA 2.115 54.111 52.037 -0.068 0.000 0.623 294 A CB -0.834 18.157 19.000 -0.014 0.000 0.818 294 A HN 0.506 nan 8.150 nan 0.000 0.443 295 I N -0.458 119.959 120.570 -0.255 0.000 2.202 295 I HA -0.240 3.925 4.170 -0.009 0.000 0.242 295 I C 2.331 178.254 176.117 -0.323 0.000 1.091 295 I CA 1.069 62.107 61.300 -0.438 0.000 1.368 295 I CB -0.388 37.112 38.000 -0.832 0.000 1.058 295 I HN 0.274 nan 8.210 nan 0.000 0.410 296 L N 0.303 121.323 121.223 -0.340 0.000 2.131 296 L HA -0.187 4.148 4.340 -0.009 0.000 0.210 296 L C 2.650 179.427 176.870 -0.155 0.000 1.092 296 L CA 1.239 55.899 54.840 -0.300 0.000 0.759 296 L CB -0.541 41.287 42.059 -0.384 0.000 0.903 296 L HN 0.194 nan 8.230 nan 0.000 0.435 297 R N -0.381 120.056 120.500 -0.105 0.000 2.237 297 R HA -0.104 4.231 4.340 -0.009 0.000 0.219 297 R C 1.220 177.516 176.300 -0.007 0.000 1.080 297 R CA 0.706 56.779 56.100 -0.044 0.000 0.995 297 R CB 0.052 30.337 30.300 -0.025 0.000 0.875 297 R HN 0.422 nan 8.270 nan 0.000 0.462 298 Q N -1.147 118.664 119.800 0.018 0.000 2.159 298 Q HA 0.298 4.632 4.340 -0.009 0.000 0.217 298 Q C -0.454 175.594 176.000 0.081 0.000 0.818 298 Q CA -0.018 55.844 55.803 0.099 0.000 1.008 298 Q CB 1.810 30.724 28.738 0.293 0.000 1.148 298 Q HN 0.122 nan 8.270 nan 0.000 0.491 299 A N 0.315 123.121 122.820 -0.022 0.000 2.337 299 A HA 0.490 4.805 4.320 -0.009 0.000 0.331 299 A C 0.128 177.689 177.584 -0.037 0.000 1.137 299 A CA -0.475 51.532 52.037 -0.049 0.000 0.807 299 A CB 0.928 19.847 19.000 -0.134 0.000 1.250 299 A HN -0.023 nan 8.150 nan 0.000 0.468 300 D N -0.279 120.094 120.400 -0.044 0.000 2.389 300 D HA 0.201 4.836 4.640 -0.009 0.000 0.206 300 D C -0.563 175.748 176.300 0.018 0.000 1.055 300 D CA 0.656 54.627 54.000 -0.047 0.000 0.856 300 D CB 0.763 41.477 40.800 -0.143 0.000 0.957 300 D HN 0.274 nan 8.370 nan 0.000 0.509 301 L N 0.041 121.300 121.223 0.060 0.000 2.505 301 L HA 0.439 4.774 4.340 -0.009 0.000 0.259 301 L C -2.108 174.884 176.870 0.203 0.000 0.952 301 L CA -0.872 54.060 54.840 0.153 0.000 0.840 301 L CB 2.872 45.077 42.059 0.243 0.000 1.358 301 L HN -0.159 nan 8.230 nan 0.000 0.409 302 F N 5.374 125.338 119.950 0.023 0.000 2.499 302 F HA 0.673 5.196 4.527 -0.007 0.000 0.333 302 F C -1.123 174.710 175.800 0.054 0.000 1.138 302 F CA -0.974 57.030 58.000 0.007 0.000 0.945 302 F CB 1.559 40.552 39.000 -0.011 0.000 1.181 302 F HN 0.215 nan 8.300 nan 0.000 0.435 303 V N 5.421 125.393 119.914 0.097 0.000 2.368 303 V HA 0.296 4.411 4.120 -0.009 0.000 0.266 303 V C 0.132 176.065 176.094 -0.268 0.000 1.045 303 V CA -0.057 62.234 62.300 -0.014 0.000 0.899 303 V CB 1.009 32.959 31.823 0.210 0.000 1.006 303 V HN 0.805 nan 8.190 nan 0.000 0.470 304 T N 2.776 117.020 114.554 -0.517 0.000 2.893 304 T HA 0.352 4.697 4.350 -0.009 0.000 0.291 304 T C 0.897 175.484 174.700 -0.188 0.000 1.028 304 T CA -0.555 61.181 62.100 -0.606 0.000 0.995 304 T CB 1.090 69.228 68.868 -1.218 0.000 1.051 304 T HN 0.867 nan 8.240 nan 0.000 0.470 305 H N 2.494 121.422 119.070 -0.237 0.000 2.563 305 H HA 0.261 4.812 4.556 -0.009 0.000 0.272 305 H C 1.187 176.378 175.328 -0.229 0.000 1.005 305 H CA 0.821 56.732 56.048 -0.228 0.000 1.171 305 H CB -0.935 28.720 29.762 -0.177 0.000 1.351 305 H HN 1.008 nan 8.280 nan 0.000 0.602 306 A N -0.159 122.405 122.820 -0.427 0.000 2.905 306 A HA -0.122 4.193 4.320 -0.009 0.000 0.260 306 A C 1.293 178.548 177.584 -0.548 0.000 1.398 306 A CA 0.891 52.685 52.037 -0.404 0.000 0.840 306 A CB -2.290 16.536 19.000 -0.290 0.000 1.059 306 A HN 1.019 nan 8.150 nan 0.000 0.647 307 G N -2.126 106.056 108.800 -1.031 0.000 2.732 307 G HA2 0.525 4.480 3.960 -0.009 0.000 0.244 307 G HA3 0.525 4.480 3.960 -0.009 0.000 0.244 307 G C 1.316 176.089 174.900 -0.213 0.000 1.226 307 G CA 0.483 45.221 45.100 -0.604 0.000 0.860 307 G HN 1.812 nan 8.290 nan 0.000 0.583 308 A N 0.631 123.387 122.820 -0.106 0.000 1.908 308 A HA 0.010 4.325 4.320 -0.009 0.000 0.218 308 A C 2.626 180.211 177.584 0.001 0.000 1.181 308 A CA 2.498 54.509 52.037 -0.043 0.000 0.627 308 A CB -1.079 17.904 19.000 -0.027 0.000 0.818 308 A HN 1.075 nan 8.150 nan 0.000 0.445 309 G N -0.762 108.057 108.800 0.031 0.000 2.434 309 G HA2 0.059 4.014 3.960 -0.009 0.000 0.214 309 G HA3 0.059 4.014 3.960 -0.009 0.000 0.214 309 G C 1.596 176.555 174.900 0.099 0.000 1.202 309 G CA 1.223 46.360 45.100 0.061 0.000 0.788 309 G HN 0.741 nan 8.290 nan 0.000 0.539 310 G N 0.590 109.489 108.800 0.164 0.000 2.440 310 G HA2 -0.179 3.776 3.960 -0.009 0.000 0.218 310 G HA3 -0.179 3.776 3.960 -0.009 0.000 0.218 310 G C 2.151 177.226 174.900 0.292 0.000 1.154 310 G CA 1.590 46.888 45.100 0.330 0.000 0.767 310 G HN 0.433 nan 8.290 nan 0.000 0.552 311 S N 0.928 116.685 115.700 0.096 0.000 2.355 311 S HA -0.158 4.307 4.470 -0.009 0.000 0.222 311 S C 2.382 177.025 174.600 0.071 0.000 1.031 311 S CA 1.812 60.039 58.200 0.045 0.000 0.993 311 S CB -0.303 62.876 63.200 -0.036 0.000 0.859 311 S HN 0.702 nan 8.310 nan 0.000 0.453 312 Q N 1.823 121.656 119.800 0.056 0.000 2.167 312 Q HA -0.035 4.300 4.340 -0.009 0.000 0.202 312 Q C 1.492 177.523 176.000 0.051 0.000 0.970 312 Q CA 1.735 57.566 55.803 0.046 0.000 0.855 312 Q CB -0.574 28.187 28.738 0.037 0.000 0.911 312 Q HN 0.551 nan 8.270 nan 0.000 0.438 313 E N 0.337 120.575 120.200 0.062 0.000 2.107 313 E HA -0.055 4.290 4.350 -0.009 0.000 0.191 313 E C 2.039 178.652 176.600 0.023 0.000 0.982 313 E CA 0.851 57.262 56.400 0.018 0.000 0.809 313 E CB -0.388 29.295 29.700 -0.028 0.000 0.756 313 E HN 0.627 nan 8.360 nan 0.000 0.459 314 G N 1.353 110.236 108.800 0.139 0.000 2.446 314 G HA2 -0.255 3.700 3.960 -0.009 0.000 0.217 314 G HA3 -0.255 3.700 3.960 -0.009 0.000 0.217 314 G C 1.561 176.520 174.900 0.098 0.000 1.168 314 G CA 0.613 45.834 45.100 0.201 0.000 0.771 314 G HN 0.087 nan 8.290 nan 0.000 0.551 315 L N 0.654 121.920 121.223 0.073 0.000 2.056 315 L HA -0.040 4.295 4.340 -0.009 0.000 0.207 315 L C 3.428 180.312 176.870 0.024 0.000 1.078 315 L CA 0.986 55.850 54.840 0.039 0.000 0.749 315 L CB -0.512 41.562 42.059 0.025 0.000 0.901 315 L HN 0.307 nan 8.230 nan 0.000 0.433 316 A N 0.126 122.958 122.820 0.020 0.000 1.978 316 A HA -0.202 4.113 4.320 -0.009 0.000 0.220 316 A C 2.225 179.808 177.584 -0.001 0.000 1.170 316 A CA 2.247 54.288 52.037 0.008 0.000 0.636 316 A CB -0.830 18.172 19.000 0.004 0.000 0.810 316 A HN 0.532 nan 8.150 nan 0.000 0.448 317 T N -4.439 110.111 114.554 -0.008 0.000 3.122 317 T HA 0.499 4.844 4.350 -0.009 0.000 0.250 317 T C 0.766 175.462 174.700 -0.006 0.000 1.067 317 T CA 0.890 62.978 62.100 -0.019 0.000 0.966 317 T CB -0.205 68.631 68.868 -0.054 0.000 1.002 317 T HN 1.752 nan 8.240 nan 0.000 0.542 318 A N 0.709 123.535 122.820 0.009 0.000 2.687 318 A HA -0.118 4.197 4.320 -0.009 0.000 0.299 318 A C 0.406 178.004 177.584 0.024 0.000 1.497 318 A CA 0.897 52.944 52.037 0.015 0.000 0.751 318 A CB -2.614 16.390 19.000 0.007 0.000 1.048 318 A HN 0.599 nan 8.150 nan 0.000 0.464 319 T N 2.242 116.822 114.554 0.044 0.000 2.772 319 T HA 0.563 4.908 4.350 -0.009 0.000 0.288 319 T C -2.436 172.327 174.700 0.106 0.000 0.994 319 T CA -1.046 61.094 62.100 0.067 0.000 0.951 319 T CB 1.589 70.498 68.868 0.068 0.000 0.933 319 T HN 0.339 nan 8.240 nan 0.000 0.447 320 P HA 0.227 nan 4.420 nan 0.000 0.267 320 P C -0.680 176.690 177.300 0.117 0.000 1.200 320 P CA -0.130 63.025 63.100 0.091 0.000 0.772 320 P CB 0.485 32.237 31.700 0.087 0.000 0.855 321 M N 1.999 121.644 119.600 0.076 0.000 2.464 321 M HA 0.440 4.915 4.480 -0.009 0.000 0.308 321 M C -0.281 176.026 176.300 0.011 0.000 1.127 321 M CA -0.588 54.729 55.300 0.027 0.000 0.913 321 M CB 2.062 34.635 32.600 -0.045 0.000 1.689 321 M HN 0.131 nan 8.290 nan 0.000 0.445 322 I N 2.225 122.795 120.570 0.000 0.000 2.312 322 I HA 0.483 4.648 4.170 -0.009 0.000 0.290 322 I C -0.109 175.971 176.117 -0.061 0.000 1.008 322 I CA -0.637 60.671 61.300 0.014 0.000 1.226 322 I CB 1.380 39.437 38.000 0.095 0.000 1.371 322 I HN 0.702 nan 8.210 nan 0.000 0.468 323 A N 6.900 129.677 122.820 -0.072 0.000 2.249 323 A HA 0.624 4.939 4.320 -0.009 0.000 0.314 323 A C -0.235 177.285 177.584 -0.106 0.000 1.290 323 A CA -0.371 51.591 52.037 -0.124 0.000 0.893 323 A CB 0.589 19.518 19.000 -0.118 0.000 1.165 323 A HN 0.508 nan 8.150 nan 0.000 0.530 324 V N 5.610 125.434 119.914 -0.151 0.000 2.260 324 V HA 0.246 4.361 4.120 -0.009 0.000 0.263 324 V C -2.304 173.637 176.094 -0.255 0.000 1.036 324 V CA -1.426 60.754 62.300 -0.200 0.000 0.874 324 V CB 0.555 32.187 31.823 -0.318 0.000 1.116 324 V HN 0.799 nan 8.190 nan 0.000 0.454 325 P HA 0.173 nan 4.420 nan 0.000 0.269 325 P C -0.185 176.844 177.300 -0.450 0.000 1.209 325 P CA 0.156 62.995 63.100 -0.434 0.000 0.776 325 P CB 1.595 32.895 31.700 -0.667 0.000 0.876 326 Q N 0.626 120.174 119.800 -0.421 0.000 2.471 326 Q HA 0.316 4.651 4.340 -0.009 0.000 0.241 326 Q C 0.661 176.538 176.000 -0.204 0.000 0.886 326 Q CA 0.652 56.310 55.803 -0.242 0.000 0.953 326 Q CB 0.532 29.191 28.738 -0.131 0.000 1.108 326 Q HN 0.610 nan 8.270 nan 0.000 0.575 327 A N -0.288 122.344 122.820 -0.313 0.000 2.479 327 A HA 0.684 4.999 4.320 -0.009 0.000 0.296 327 A C 1.070 178.581 177.584 -0.123 0.000 1.121 327 A CA 0.133 52.109 52.037 -0.102 0.000 0.743 327 A CB 0.447 19.430 19.000 -0.028 0.000 1.323 327 A HN -0.008 nan 8.150 nan 0.000 0.415 328 V N 0.492 120.516 119.914 0.183 0.000 2.324 328 V HA -0.261 3.854 4.120 -0.009 0.000 0.250 328 V C 1.491 177.699 176.094 0.188 0.000 1.060 328 V CA 3.347 65.850 62.300 0.337 0.000 1.042 328 V CB -1.323 nan 31.823 nan 0.000 0.650 328 V HN 0.961 nan 8.190 nan 0.000 0.450 329 D N -1.024 119.402 120.400 0.043 0.000 2.392 329 D HA -0.074 4.561 4.640 -0.009 0.000 0.228 329 D C 1.690 177.936 176.300 -0.091 0.000 1.003 329 D CA 1.101 55.099 54.000 -0.005 0.000 0.917 329 D CB -0.056 40.734 40.800 -0.017 0.000 0.890 329 D HN 0.743 nan 8.370 nan 0.000 0.532 330 Q N -1.440 118.230 119.800 -0.217 0.000 2.322 330 Q HA 0.222 4.557 4.340 -0.009 0.000 0.250 330 Q C 0.881 176.701 176.000 -0.300 0.000 0.853 330 Q CA -0.162 55.438 55.803 -0.337 0.000 0.951 330 Q CB 0.132 28.573 28.738 -0.496 0.000 1.114 330 Q HN 0.224 nan 8.270 nan 0.000 0.523 331 F N 0.356 120.268 119.950 -0.063 0.000 2.171 331 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 331 F C 2.232 178.000 175.800 -0.054 0.000 1.090 331 F CA 1.360 59.326 58.000 -0.056 0.000 1.293 331 F CB -0.784 38.192 39.000 -0.039 0.000 1.013 331 F HN 0.168 nan 8.300 nan 0.000 0.486 332 G N 0.199 109.076 108.800 0.130 0.000 2.433 332 G HA2 -0.271 3.684 3.960 -0.009 0.000 0.216 332 G HA3 -0.271 3.684 3.960 -0.009 0.000 0.216 332 G C 1.652 176.548 174.900 -0.006 0.000 1.186 332 G CA 1.054 46.186 45.100 0.053 0.000 0.779 332 G HN 0.240 nan 8.290 nan 0.000 0.543 333 N N 1.399 120.076 118.700 -0.040 0.000 2.104 333 N HA -0.111 4.624 4.740 -0.009 0.000 0.190 333 N C 2.502 177.967 175.510 -0.074 0.000 1.024 333 N CA 1.430 54.438 53.050 -0.070 0.000 0.853 333 N CB -0.672 37.751 38.487 -0.107 0.000 1.008 333 N HN 0.319 nan 8.380 nan 0.000 0.424 334 A N 1.404 124.175 122.820 -0.083 0.000 1.908 334 A HA -0.173 4.142 4.320 -0.009 0.000 0.218 334 A C 1.825 179.388 177.584 -0.035 0.000 1.181 334 A CA 1.787 53.783 52.037 -0.070 0.000 0.627 334 A CB -0.517 18.441 19.000 -0.071 0.000 0.818 334 A HN 0.150 nan 8.150 nan 0.000 0.445 335 D N -0.420 119.973 120.400 -0.012 0.000 2.117 335 D HA -0.143 4.491 4.640 -0.009 0.000 0.197 335 D C 2.044 178.318 176.300 -0.043 0.000 0.987 335 D CA 1.450 55.440 54.000 -0.017 0.000 0.829 335 D CB -0.370 40.425 40.800 -0.009 0.000 0.961 335 D HN 0.497 nan 8.370 nan 0.000 0.460 336 M N -0.102 119.465 119.600 -0.055 0.000 2.132 336 M HA -0.084 4.391 4.480 -0.009 0.000 0.263 336 M C 2.295 178.558 176.300 -0.060 0.000 1.065 336 M CA 0.885 56.141 55.300 -0.072 0.000 1.122 336 M CB -0.161 32.390 32.600 -0.082 0.000 1.365 336 M HN -0.002 nan 8.290 nan 0.000 0.411 337 L N -0.259 120.933 121.223 -0.052 0.000 2.017 337 L HA -0.258 4.077 4.340 -0.009 0.000 0.208 337 L C 2.662 179.512 176.870 -0.033 0.000 1.073 337 L CA 1.566 56.381 54.840 -0.042 0.000 0.745 337 L CB -0.723 41.308 42.059 -0.047 0.000 0.894 337 L HN 0.411 nan 8.230 nan 0.000 0.432 338 Q N -0.046 119.735 119.800 -0.032 0.000 2.124 338 Q HA -0.163 4.172 4.340 -0.009 0.000 0.202 338 Q C 2.131 178.115 176.000 -0.027 0.000 0.977 338 Q CA 1.558 57.347 55.803 -0.023 0.000 0.850 338 Q CB -0.194 28.533 28.738 -0.019 0.000 0.901 338 Q HN 0.530 nan 8.270 nan 0.000 0.429 339 G N 0.611 109.387 108.800 -0.039 0.000 2.443 339 G HA2 -0.188 3.767 3.960 -0.009 0.000 0.219 339 G HA3 -0.188 3.767 3.960 -0.009 0.000 0.219 339 G C 1.243 176.116 174.900 -0.046 0.000 1.131 339 G CA 0.406 45.477 45.100 -0.047 0.000 0.775 339 G HN 0.316 nan 8.290 nan 0.000 0.547 340 L N 0.219 121.415 121.223 -0.044 0.000 2.465 340 L HA 0.202 4.537 4.340 -0.009 0.000 0.224 340 L C 2.057 178.912 176.870 -0.025 0.000 1.145 340 L CA 0.521 55.338 54.840 -0.039 0.000 0.834 340 L CB -0.105 41.930 42.059 -0.039 0.000 0.944 340 L HN 0.357 nan 8.230 nan 0.000 0.451 341 G N 0.244 109.033 108.800 -0.019 0.000 2.160 341 G HA2 -0.249 3.706 3.960 -0.009 0.000 0.244 341 G HA3 -0.249 3.706 3.960 -0.009 0.000 0.244 341 G C 0.576 175.477 174.900 0.001 0.000 1.022 341 G CA 0.337 45.432 45.100 -0.008 0.000 0.741 341 G HN 0.352 nan 8.290 nan 0.000 0.508 342 V N -4.527 115.388 119.914 0.001 0.000 3.346 342 V HA 0.856 4.971 4.120 -0.009 0.000 0.309 342 V C 0.636 176.742 176.094 0.019 0.000 1.457 342 V CA 0.723 63.030 62.300 0.013 0.000 1.069 342 V CB 0.133 31.963 31.823 0.011 0.000 0.944 342 V HN 2.006 nan 8.190 nan 0.000 0.449 343 A N 0.354 123.181 122.820 0.011 0.000 2.610 343 A HA 0.918 5.233 4.320 -0.009 0.000 0.291 343 A C -1.191 176.398 177.584 0.008 0.000 1.086 343 A CA -0.892 51.151 52.037 0.009 0.000 0.677 343 A CB 1.737 20.729 19.000 -0.012 0.000 1.278 343 A HN 0.158 nan 8.150 nan 0.000 0.414 344 R N 0.974 121.480 120.500 0.011 0.000 2.561 344 R HA 0.398 4.733 4.340 -0.009 0.000 0.297 344 R C -0.939 175.361 176.300 0.001 0.000 0.969 344 R CA -0.651 55.455 56.100 0.010 0.000 0.879 344 R CB 2.115 32.429 30.300 0.024 0.000 1.178 344 R HN 0.780 nan 8.270 nan 0.000 0.445 345 K N 4.451 124.850 120.400 -0.003 0.000 2.227 345 K HA 0.399 4.714 4.320 -0.009 0.000 0.280 345 K C -0.784 175.820 176.600 0.005 0.000 1.041 345 K CA -0.309 55.975 56.287 -0.006 0.000 0.905 345 K CB 0.662 33.161 32.500 -0.000 0.000 1.068 345 K HN 0.455 nan 8.250 nan 0.000 0.470 346 L N 3.023 124.247 121.223 0.002 0.000 2.346 346 L HA 0.520 4.854 4.340 -0.009 0.000 0.274 346 L C -0.078 176.793 176.870 0.002 0.000 1.007 346 L CA -1.278 53.569 54.840 0.012 0.000 0.818 346 L CB 1.904 43.983 42.059 0.034 0.000 1.284 346 L HN 0.708 nan 8.230 nan 0.000 0.424 347 A N 1.270 124.097 122.820 0.013 0.000 2.409 347 A HA 0.321 4.636 4.320 -0.009 0.000 0.262 347 A C 1.193 178.770 177.584 -0.012 0.000 1.113 347 A CA -0.193 51.851 52.037 0.012 0.000 0.790 347 A CB 0.412 19.423 19.000 0.018 0.000 1.046 347 A HN 0.896 nan 8.150 nan 0.000 0.496 348 T N 1.404 115.922 114.554 -0.059 0.000 2.620 348 T HA 0.122 4.466 4.350 -0.009 0.000 0.267 348 T C 0.988 175.688 174.700 -0.000 0.000 1.044 348 T CA 2.565 64.603 62.100 -0.103 0.000 1.161 348 T CB -0.309 68.458 68.868 -0.169 0.000 0.862 348 T HN 1.457 nan 8.240 nan 0.000 0.438 349 E N -0.879 119.321 120.200 -0.000 0.000 0.000 349 E HA 0.574 4.919 4.350 -0.009 0.000 0.000 349 E C -0.500 nan 176.600 nan 0.000 0.000 349 E CA -0.191 56.217 56.400 0.013 0.000 0.000 349 E CB 0.033 29.736 29.700 0.005 0.000 0.000 349 E HN 0.281 nan 8.360 nan 0.000 0.000 350 E N -1.940 118.274 120.200 0.024 0.000 0.000 350 E HA 0.246 4.591 4.350 -0.009 0.000 0.000 350 E C 0.199 176.820 176.600 0.036 0.000 0.000 350 E CA 0.477 56.889 56.400 0.021 0.000 0.000 350 E CB 0.952 30.660 29.700 0.012 0.000 0.000 350 E HN 1.045 nan 8.360 nan 0.000 0.000 351 A N 2.631 125.497 122.820 0.076 0.000 3.046 351 A HA 0.204 4.519 4.320 -0.009 0.000 0.259 351 A C 0.792 178.432 177.584 0.094 0.000 1.843 351 A CA 0.360 52.477 52.037 0.135 0.000 1.451 351 A CB -1.183 18.002 19.000 0.307 0.000 1.025 351 A HN 0.211 nan 8.150 nan 0.000 0.625 352 T N -2.945 111.618 114.554 0.015 0.000 2.816 352 T HA 0.532 4.877 4.350 -0.009 0.000 0.282 352 T C 1.478 176.118 174.700 -0.099 0.000 0.993 352 T CA -0.106 61.973 62.100 -0.035 0.000 0.994 352 T CB 1.295 70.140 68.868 -0.038 0.000 1.025 352 T HN 0.712 nan 8.240 nan 0.000 0.529 353 A N 0.887 123.624 122.820 -0.137 0.000 1.917 353 A HA -0.025 4.290 4.320 -0.009 0.000 0.219 353 A C 2.370 179.813 177.584 -0.235 0.000 1.182 353 A CA 2.554 54.460 52.037 -0.218 0.000 0.633 353 A CB -1.924 16.962 19.000 -0.190 0.000 0.819 353 A HN 1.106 nan 8.150 nan 0.000 0.448 354 D N -0.556 119.749 120.400 -0.159 0.000 2.097 354 D HA -0.016 4.619 4.640 -0.009 0.000 0.197 354 D C 1.975 178.193 176.300 -0.135 0.000 0.984 354 D CA 1.605 55.520 54.000 -0.143 0.000 0.826 354 D CB -0.482 40.261 40.800 -0.095 0.000 0.973 354 D HN 0.347 nan 8.370 nan 0.000 0.460 355 L N -0.105 121.057 121.223 -0.102 0.000 2.056 355 L HA 0.089 4.424 4.340 -0.009 0.000 0.207 355 L C 2.503 179.318 176.870 -0.092 0.000 1.078 355 L CA 1.249 56.044 54.840 -0.074 0.000 0.749 355 L CB -0.475 41.562 42.059 -0.037 0.000 0.901 355 L HN 0.363 nan 8.230 nan 0.000 0.433 356 L N -0.601 120.542 121.223 -0.133 0.000 2.012 356 L HA -0.244 4.091 4.340 -0.009 0.000 0.210 356 L C 2.831 179.528 176.870 -0.289 0.000 1.073 356 L CA 1.805 56.544 54.840 -0.168 0.000 0.748 356 L CB -0.556 41.359 42.059 -0.239 0.000 0.891 356 L HN 0.342 nan 8.230 nan 0.000 0.431 357 R N 0.386 120.631 120.500 -0.425 0.000 2.073 357 R HA -0.232 4.103 4.340 -0.009 0.000 0.234 357 R C 2.206 178.361 176.300 -0.241 0.000 1.134 357 R CA 1.971 57.782 56.100 -0.480 0.000 0.952 357 R CB -0.253 29.769 30.300 -0.463 0.000 0.850 357 R HN 0.391 nan 8.270 nan 0.000 0.433 358 E N -0.485 119.623 120.200 -0.153 0.000 2.077 358 E HA -0.149 4.195 4.350 -0.009 0.000 0.193 358 E C 1.444 178.030 176.600 -0.023 0.000 0.989 358 E CA 1.810 58.166 56.400 -0.072 0.000 0.800 358 E CB 0.038 29.705 29.700 -0.054 0.000 0.746 358 E HN 0.367 nan 8.360 nan 0.000 0.452 359 T N 0.614 115.155 114.554 -0.021 0.000 2.708 359 T HA -0.114 4.231 4.350 -0.009 0.000 0.266 359 T C 1.866 176.616 174.700 0.082 0.000 1.037 359 T CA 1.281 63.398 62.100 0.029 0.000 1.146 359 T CB -0.333 68.553 68.868 0.031 0.000 0.865 359 T HN 0.348 nan 8.240 nan 0.000 0.435 360 A N 1.312 124.187 122.820 0.091 0.000 1.883 360 A HA -0.048 4.267 4.320 -0.009 0.000 0.217 360 A C 2.313 180.075 177.584 0.297 0.000 1.186 360 A CA 1.394 53.561 52.037 0.217 0.000 0.624 360 A CB -0.969 18.147 19.000 0.193 0.000 0.822 360 A HN 0.472 nan 8.150 nan 0.000 0.444 361 L N -0.953 120.379 121.223 0.182 0.000 2.083 361 L HA -0.187 4.148 4.340 -0.009 0.000 0.209 361 L C 3.073 180.062 176.870 0.198 0.000 1.083 361 L CA 1.000 55.998 54.840 0.263 0.000 0.752 361 L CB -0.451 41.694 42.059 0.143 0.000 0.899 361 L HN 0.457 nan 8.230 nan 0.000 0.433 362 A N -0.166 122.731 122.820 0.129 0.000 1.930 362 A HA -0.127 4.188 4.320 -0.009 0.000 0.217 362 A C 2.227 179.873 177.584 0.105 0.000 1.175 362 A CA 1.271 53.366 52.037 0.096 0.000 0.627 362 A CB -0.535 18.504 19.000 0.064 0.000 0.815 362 A HN 0.343 nan 8.150 nan 0.000 0.443 363 L N -0.083 121.217 121.223 0.129 0.000 2.072 363 L HA -0.115 4.219 4.340 -0.009 0.000 0.205 363 L C 2.631 179.575 176.870 0.124 0.000 1.079 363 L CA 1.375 56.286 54.840 0.119 0.000 0.752 363 L CB -0.442 41.694 42.059 0.129 0.000 0.906 363 L HN 0.434 nan 8.230 nan 0.000 0.436 364 V N -3.926 116.094 119.914 0.176 0.000 2.809 364 V HA -0.118 3.997 4.120 -0.009 0.000 0.256 364 V C 1.363 177.506 176.094 0.080 0.000 1.080 364 V CA 1.566 63.942 62.300 0.126 0.000 1.102 364 V CB -0.487 31.415 31.823 0.133 0.000 0.705 364 V HN 0.341 nan 8.190 nan 0.000 0.475 365 D N 0.074 120.533 120.400 0.099 0.000 2.339 365 D HA 0.106 4.741 4.640 -0.009 0.000 0.217 365 D C 0.387 176.717 176.300 0.049 0.000 1.050 365 D CA 0.425 54.467 54.000 0.069 0.000 0.856 365 D CB 0.083 40.933 40.800 0.084 0.000 0.922 365 D HN 0.518 nan 8.370 nan 0.000 0.518 366 D N 1.492 121.923 120.400 0.051 0.000 2.339 366 D HA 0.061 4.696 4.640 -0.009 0.000 0.241 366 D C -1.458 174.859 176.300 0.028 0.000 1.183 366 D CA -1.937 52.086 54.000 0.039 0.000 0.859 366 D CB 2.011 42.836 40.800 0.042 0.000 1.067 366 D HN -0.042 nan 8.370 nan 0.000 0.484 367 P HA -0.106 nan 4.420 nan 0.000 0.223 367 P C 1.081 178.389 177.300 0.013 0.000 1.151 367 P CA 0.451 63.560 63.100 0.015 0.000 0.787 367 P CB 0.500 32.207 31.700 0.012 0.000 0.788 368 E N -0.038 120.170 120.200 0.014 0.000 2.072 368 E HA -0.072 4.273 4.350 -0.009 0.000 0.190 368 E C 2.152 178.759 176.600 0.011 0.000 0.982 368 E CA 0.859 57.266 56.400 0.010 0.000 0.803 368 E CB -1.342 28.363 29.700 0.009 0.000 0.755 368 E HN 0.025 nan 8.360 nan 0.000 0.453 369 V N 1.075 120.999 119.914 0.017 0.000 2.287 369 V HA -0.240 3.874 4.120 -0.009 0.000 0.248 369 V C 2.783 178.888 176.094 0.017 0.000 1.053 369 V CA 2.132 64.443 62.300 0.020 0.000 1.027 369 V CB -1.123 30.719 31.823 0.031 0.000 0.646 369 V HN 0.612 nan 8.190 nan 0.000 0.447 370 A N -0.260 122.570 122.820 0.017 0.000 1.877 370 A HA -0.255 4.059 4.320 -0.009 0.000 0.216 370 A C 2.403 179.992 177.584 0.008 0.000 1.186 370 A CA 2.019 54.063 52.037 0.013 0.000 0.620 370 A CB -0.613 18.394 19.000 0.011 0.000 0.822 370 A HN 0.480 nan 8.150 nan 0.000 0.443 371 R N -0.349 120.155 120.500 0.006 0.000 2.096 371 R HA -0.187 4.148 4.340 -0.009 0.000 0.240 371 R C 2.420 178.721 176.300 0.001 0.000 1.139 371 R CA 1.918 58.020 56.100 0.003 0.000 0.952 371 R CB -0.285 30.016 30.300 0.002 0.000 0.854 371 R HN 0.541 nan 8.270 nan 0.000 0.436 372 R N 0.106 120.607 120.500 0.001 0.000 2.081 372 R HA -0.112 4.223 4.340 -0.009 0.000 0.235 372 R C 2.459 178.758 176.300 -0.002 0.000 1.131 372 R CA 1.462 57.560 56.100 -0.002 0.000 0.960 372 R CB -0.364 29.934 30.300 -0.003 0.000 0.856 372 R HN 0.284 nan 8.270 nan 0.000 0.436 373 L N 0.193 121.418 121.223 0.004 0.000 2.046 373 L HA -0.167 4.168 4.340 -0.009 0.000 0.208 373 L C 2.661 179.533 176.870 0.004 0.000 1.077 373 L CA 1.366 56.210 54.840 0.007 0.000 0.747 373 L CB -0.335 41.733 42.059 0.014 0.000 0.896 373 L HN 0.143 nan 8.230 nan 0.000 0.432 374 R N -0.484 120.018 120.500 0.003 0.000 2.091 374 R HA -0.200 4.135 4.340 -0.009 0.000 0.238 374 R C 2.439 178.738 176.300 -0.001 0.000 1.136 374 R CA 1.339 57.440 56.100 0.001 0.000 0.959 374 R CB -0.309 29.992 30.300 0.001 0.000 0.856 374 R HN 0.133 nan 8.270 nan 0.000 0.437 375 R N 1.427 121.925 120.500 -0.003 0.000 2.075 375 R HA -0.037 4.298 4.340 -0.009 0.000 0.232 375 R C 1.978 178.273 176.300 -0.008 0.000 1.126 375 R CA 1.414 57.511 56.100 -0.006 0.000 0.963 375 R CB -0.685 29.610 30.300 -0.008 0.000 0.858 375 R HN 0.193 nan 8.270 nan 0.000 0.435 376 I N 0.558 121.122 120.570 -0.010 0.000 2.208 376 I HA -0.339 3.826 4.170 -0.009 0.000 0.245 376 I C 2.542 178.656 176.117 -0.005 0.000 1.097 376 I CA 1.628 62.921 61.300 -0.012 0.000 1.363 376 I CB -0.389 37.603 38.000 -0.013 0.000 1.051 376 I HN 0.332 nan 8.210 nan 0.000 0.413 377 Q N 0.381 120.181 119.800 -0.000 0.000 2.077 377 Q HA -0.267 4.068 4.340 -0.009 0.000 0.206 377 Q C 2.448 178.450 176.000 0.004 0.000 0.989 377 Q CA 2.046 57.851 55.803 0.003 0.000 0.853 377 Q CB -0.260 28.480 28.738 0.003 0.000 0.907 377 Q HN 0.631 nan 8.270 nan 0.000 0.418 378 A N 0.817 123.639 122.820 0.002 0.000 1.933 378 A HA -0.236 4.079 4.320 -0.009 0.000 0.218 378 A C 1.751 179.338 177.584 0.004 0.000 1.175 378 A CA 1.651 53.690 52.037 0.003 0.000 0.628 378 A CB -0.407 18.593 19.000 0.001 0.000 0.814 378 A HN 0.385 nan 8.150 nan 0.000 0.444 379 E N -0.767 119.432 120.200 -0.001 0.000 2.107 379 E HA -0.110 4.235 4.350 -0.009 0.000 0.191 379 E C 2.040 178.643 176.600 0.006 0.000 0.982 379 E CA 1.245 57.643 56.400 -0.003 0.000 0.809 379 E CB -0.226 29.463 29.700 -0.019 0.000 0.756 379 E HN 0.655 nan 8.360 nan 0.000 0.459 380 M N 0.316 119.921 119.600 0.008 0.000 2.229 380 M HA -0.093 4.382 4.480 -0.009 0.000 0.264 380 M C 2.422 178.737 176.300 0.026 0.000 1.063 380 M CA 1.077 56.389 55.300 0.021 0.000 1.114 380 M CB -0.103 32.508 32.600 0.018 0.000 1.387 380 M HN 0.123 nan 8.290 nan 0.000 0.420 381 A N 0.113 122.945 122.820 0.019 0.000 1.908 381 A HA -0.187 4.128 4.320 -0.009 0.000 0.218 381 A C 2.115 179.714 177.584 0.025 0.000 1.181 381 A CA 1.358 53.408 52.037 0.020 0.000 0.627 381 A CB -0.507 18.502 19.000 0.015 0.000 0.818 381 A HN 0.439 nan 8.150 nan 0.000 0.445 382 Q N -0.139 119.676 119.800 0.025 0.000 2.167 382 Q HA -0.167 4.168 4.340 -0.009 0.000 0.202 382 Q C 1.816 177.843 176.000 0.045 0.000 0.970 382 Q CA 1.588 57.409 55.803 0.031 0.000 0.855 382 Q CB -0.421 28.333 28.738 0.027 0.000 0.911 382 Q HN 0.826 nan 8.270 nan 0.000 0.438 383 E N -0.470 119.762 120.200 0.053 0.000 2.085 383 E HA -0.145 4.200 4.350 -0.009 0.000 0.194 383 E C 1.241 177.879 176.600 0.063 0.000 0.994 383 E CA 0.885 57.332 56.400 0.077 0.000 0.801 383 E CB -0.070 29.688 29.700 0.096 0.000 0.743 383 E HN 0.559 nan 8.360 nan 0.000 0.453 384 G N 0.255 109.084 108.800 0.048 0.000 2.225 384 G HA2 -0.312 3.643 3.960 -0.009 0.000 0.254 384 G HA3 -0.312 3.643 3.960 -0.009 0.000 0.254 384 G C 0.801 175.723 174.900 0.037 0.000 0.988 384 G CA 0.275 45.398 45.100 0.039 0.000 0.625 384 G HN 0.810 nan 8.290 nan 0.000 0.527 385 G N -0.806 108.019 108.800 0.042 0.000 2.566 385 G HA2 -0.167 3.788 3.960 -0.009 0.000 0.280 385 G HA3 -0.167 3.788 3.960 -0.009 0.000 0.280 385 G C 1.159 176.079 174.900 0.034 0.000 1.225 385 G CA 1.806 46.928 45.100 0.038 0.000 0.966 385 G HN 1.395 nan 8.290 nan 0.000 0.560 386 T N 1.103 115.677 114.554 0.033 0.000 2.652 386 T HA -0.115 4.230 4.350 -0.009 0.000 0.267 386 T C 2.462 177.182 174.700 0.034 0.000 1.039 386 T CA 2.072 64.192 62.100 0.034 0.000 1.153 386 T CB -0.224 68.665 68.868 0.035 0.000 0.863 386 T HN 0.550 nan 8.240 nan 0.000 0.428 387 R N 0.384 120.904 120.500 0.033 0.000 2.115 387 R HA 0.078 4.413 4.340 -0.009 0.000 0.230 387 R C 2.667 178.986 176.300 0.033 0.000 1.111 387 R CA 0.870 56.991 56.100 0.034 0.000 0.976 387 R CB -0.185 30.135 30.300 0.032 0.000 0.870 387 R HN 0.282 nan 8.270 nan 0.000 0.445 388 R N 0.952 121.470 120.500 0.031 0.000 2.075 388 R HA -0.071 4.264 4.340 -0.009 0.000 0.232 388 R C 2.217 178.532 176.300 0.025 0.000 1.126 388 R CA 1.413 57.531 56.100 0.030 0.000 0.963 388 R CB -0.235 30.085 30.300 0.034 0.000 0.858 388 R HN 0.189 nan 8.270 nan 0.000 0.435 389 A N 0.772 123.605 122.820 0.023 0.000 1.883 389 A HA -0.177 4.138 4.320 -0.009 0.000 0.217 389 A C 2.383 179.972 177.584 0.008 0.000 1.186 389 A CA 1.928 53.972 52.037 0.011 0.000 0.624 389 A CB -1.058 17.948 19.000 0.011 0.000 0.822 389 A HN 0.545 nan 8.150 nan 0.000 0.444 390 A N -0.035 122.798 122.820 0.020 0.000 1.883 390 A HA -0.212 4.103 4.320 -0.009 0.000 0.217 390 A C 1.768 179.367 177.584 0.025 0.000 1.186 390 A CA 2.016 54.068 52.037 0.025 0.000 0.624 390 A CB -0.709 18.320 19.000 0.048 0.000 0.822 390 A HN 0.476 nan 8.150 nan 0.000 0.444 391 D N -0.005 120.413 120.400 0.031 0.000 2.123 391 D HA -0.127 4.508 4.640 -0.009 0.000 0.196 391 D C 1.848 178.159 176.300 0.017 0.000 0.992 391 D CA 1.106 55.124 54.000 0.031 0.000 0.833 391 D CB -0.337 40.481 40.800 0.030 0.000 0.954 391 D HN 0.468 nan 8.370 nan 0.000 0.455 392 L N 0.117 121.345 121.223 0.009 0.000 2.156 392 L HA -0.019 4.316 4.340 -0.009 0.000 0.208 392 L C 2.390 179.250 176.870 -0.017 0.000 1.095 392 L CA 0.346 55.185 54.840 -0.001 0.000 0.770 392 L CB -0.093 41.965 42.059 -0.002 0.000 0.914 392 L HN 0.010 nan 8.230 nan 0.000 0.439 393 I N -0.267 120.287 120.570 -0.026 0.000 2.202 393 I HA -0.258 3.906 4.170 -0.009 0.000 0.242 393 I C 2.370 178.452 176.117 -0.058 0.000 1.091 393 I CA 1.289 62.559 61.300 -0.051 0.000 1.368 393 I CB -0.233 37.729 38.000 -0.063 0.000 1.058 393 I HN 0.257 nan 8.210 nan 0.000 0.410 394 E N 0.970 121.143 120.200 -0.044 0.000 2.118 394 E HA -0.235 4.109 4.350 -0.009 0.000 0.195 394 E C 2.243 178.842 176.600 -0.002 0.000 0.992 394 E CA 1.275 57.661 56.400 -0.024 0.000 0.804 394 E CB -0.202 29.529 29.700 0.052 0.000 0.741 394 E HN 0.523 nan 8.360 nan 0.000 0.458 395 A N 1.234 124.055 122.820 0.000 0.000 2.121 395 A HA -0.157 4.157 4.320 -0.009 0.000 0.218 395 A C 1.719 179.299 177.584 -0.006 0.000 1.154 395 A CA 1.021 53.060 52.037 0.003 0.000 0.679 395 A CB -0.044 18.959 19.000 0.004 0.000 0.795 395 A HN 0.052 nan 8.150 nan 0.000 0.458 396 E N -0.442 119.747 120.200 -0.019 0.000 2.474 396 E HA 0.161 4.506 4.350 -0.009 0.000 0.194 396 E C 0.091 176.679 176.600 -0.020 0.000 1.041 396 E CA -0.158 56.228 56.400 -0.023 0.000 0.874 396 E CB -0.118 29.561 29.700 -0.035 0.000 0.914 396 E HN 0.587 nan 8.360 nan 0.000 0.498 397 L N 3.931 125.143 121.223 -0.019 0.000 2.525 397 L HA 0.034 4.369 4.340 -0.009 0.000 0.278 397 L C -1.691 175.181 176.870 0.003 0.000 1.218 397 L CA -1.161 53.672 54.840 -0.011 0.000 0.878 397 L CB -0.277 41.781 42.059 -0.002 0.000 1.127 397 L HN -0.099 nan 8.230 nan 0.000 0.492 398 P HA 0.083 nan 4.420 nan 0.000 0.270 398 P C -0.327 176.982 177.300 0.016 0.000 1.223 398 P CA -0.442 62.664 63.100 0.010 0.000 0.785 398 P CB 0.565 32.272 31.700 0.011 0.000 0.923 399 A N 0.000 122.829 122.820 0.014 0.000 2.254 399 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 399 A CA 0.000 52.047 52.037 0.016 0.000 0.836 399 A CB 0.000 19.008 19.000 0.013 0.000 0.831 399 A HN 0.000 nan 8.150 nan 0.000 0.486