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 1ynf_1_E DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAXX XXXXXXXXXH RFQVSNPRLA AKQGLLKXKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPXWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGX QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFXAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSXXLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESXANGG GPACLRLRVV LTEEERRAVN PAVXXNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.436 175.510 -0.123 0.000 1.280 2 N CA 0.000 53.031 53.050 -0.033 0.000 0.885 2 N CB 0.000 38.505 38.487 0.029 0.000 1.341 3 A N 1.555 124.393 122.820 0.029 0.000 2.407 3 A HA 0.616 4.936 4.320 -0.000 0.000 0.248 3 A C -0.671 177.104 177.584 0.319 0.000 1.082 3 A CA -0.058 52.020 52.037 0.068 0.000 0.785 3 A CB 0.377 19.464 19.000 0.146 0.000 1.020 3 A HN 0.579 nan 8.150 nan 0.000 0.489 4 W N -0.071 121.300 121.300 0.118 0.000 2.864 4 W HA 0.472 5.132 4.660 -0.000 0.000 0.343 4 W C 0.082 176.533 176.519 -0.113 0.000 1.109 4 W CA -1.091 56.298 57.345 0.074 0.000 1.192 4 W CB 1.025 30.532 29.460 0.078 0.000 1.426 4 W HN 0.803 nan 8.180 nan 0.000 0.529 5 E N 1.416 121.514 120.200 -0.170 0.000 2.167 5 E HA 0.418 4.768 4.350 -0.000 0.000 0.284 5 E C -1.151 175.455 176.600 0.010 0.000 1.016 5 E CA -0.157 56.060 56.400 -0.305 0.000 0.817 5 E CB 1.051 30.284 29.700 -0.779 0.000 1.080 5 E HN 0.169 nan 8.360 nan 0.000 0.397 6 V N 5.233 125.223 119.914 0.128 0.000 2.417 6 V HA 0.238 4.358 4.120 -0.000 0.000 0.291 6 V C -0.091 176.112 176.094 0.180 0.000 1.024 6 V CA -1.100 61.291 62.300 0.152 0.000 0.861 6 V CB 1.521 33.468 31.823 0.205 0.000 0.985 6 V HN 0.659 nan 8.190 nan 0.000 0.436 7 N N 3.728 122.466 118.700 0.063 0.000 2.444 7 N HA 0.432 5.172 4.740 -0.000 0.000 0.271 7 N C -1.079 174.437 175.510 0.010 0.000 1.069 7 N CA -0.058 53.049 53.050 0.095 0.000 0.965 7 N CB 1.212 39.722 38.487 0.039 0.000 1.092 7 N HN 0.459 nan 8.380 nan 0.000 0.476 8 F N 1.100 121.086 119.950 0.060 0.000 2.375 8 F HA 0.271 4.798 4.527 -0.000 0.000 0.361 8 F C 0.467 176.294 175.800 0.045 0.000 1.117 8 F CA -0.800 57.235 58.000 0.058 0.000 1.037 8 F CB 1.099 40.159 39.000 0.100 0.000 1.192 8 F HN 0.237 nan 8.300 nan 0.000 0.452 9 D N 1.202 121.682 120.400 0.134 0.000 2.217 9 D HA 0.488 5.128 4.640 -0.000 0.000 0.248 9 D C 0.151 176.499 176.300 0.080 0.000 1.008 9 D CA -0.283 53.769 54.000 0.087 0.000 0.914 9 D CB 1.585 42.398 40.800 0.022 0.000 1.182 9 D HN 0.623 nan 8.370 nan 0.000 0.451 10 G N 0.829 109.660 108.800 0.052 0.000 2.320 10 G HA2 0.395 4.355 3.960 -0.000 0.000 0.300 10 G HA3 0.395 4.355 3.960 -0.000 0.000 0.300 10 G C -0.596 174.298 174.900 -0.010 0.000 1.126 10 G CA -0.432 44.681 45.100 0.022 0.000 0.896 10 G HN 0.369 nan 8.290 nan 0.000 0.436 11 L N 4.740 125.976 121.223 0.022 0.000 2.385 11 L HA 0.271 4.611 4.340 -0.000 0.000 0.281 11 L C 0.510 177.412 176.870 0.054 0.000 1.106 11 L CA -0.182 54.680 54.840 0.036 0.000 0.856 11 L CB 0.771 42.870 42.059 0.067 0.000 1.186 11 L HN 0.283 nan 8.230 nan 0.000 0.453 12 V N 5.945 125.856 119.914 -0.005 0.000 2.644 12 V HA 0.143 4.263 4.120 -0.000 0.000 0.305 12 V C 1.393 177.609 176.094 0.204 0.000 1.053 12 V CA 0.518 62.808 62.300 -0.017 0.000 1.186 12 V CB -0.063 31.682 31.823 -0.130 0.000 0.895 12 V HN 0.976 nan 8.190 nan 0.000 0.490 13 G N 3.048 111.928 108.800 0.134 0.000 2.572 13 G HA2 0.335 4.295 3.960 -0.000 0.000 0.261 13 G HA3 0.335 4.295 3.960 -0.000 0.000 0.261 13 G C 0.658 175.593 174.900 0.059 0.000 1.197 13 G CA -0.674 44.524 45.100 0.164 0.000 0.870 13 G HN 0.672 nan 8.290 nan 0.000 0.548 14 L N 0.552 121.598 121.223 -0.296 0.000 2.191 14 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 14 L C 2.871 179.578 176.870 -0.271 0.000 1.103 14 L CA 2.420 56.856 54.840 -0.673 0.000 0.769 14 L CB -0.407 41.222 42.059 -0.716 0.000 0.908 14 L HN 0.690 nan 8.230 nan 0.000 0.438 15 T N -4.405 110.084 114.554 -0.108 0.000 3.188 15 T HA 0.021 4.371 4.350 -0.000 0.000 0.250 15 T C 0.710 175.478 174.700 0.113 0.000 1.077 15 T CA -0.374 61.716 62.100 -0.017 0.000 0.967 15 T CB -1.088 67.786 68.868 0.010 0.000 1.006 15 T HN 0.381 nan 8.240 nan 0.000 0.552 16 H N 3.678 122.732 119.070 -0.028 0.000 3.192 16 H HA 0.149 4.705 4.556 -0.000 0.000 0.295 16 H C 0.394 175.668 175.328 -0.090 0.000 0.943 16 H CA 0.680 56.684 56.048 -0.074 0.000 1.416 16 H CB -0.177 29.534 29.762 -0.085 0.000 1.434 16 H HN 0.667 nan 8.280 nan 0.000 0.565 17 H N 3.097 121.784 119.070 -0.639 0.000 2.948 17 H HA 0.204 4.760 4.556 -0.000 0.000 0.315 17 H C -1.564 173.453 175.328 -0.518 0.000 1.360 17 H CA -1.024 54.611 56.048 -0.688 0.000 1.125 17 H CB 0.359 29.939 29.762 -0.305 0.000 1.844 17 H HN 0.620 nan 8.280 nan 0.000 0.529 18 Y N 0.289 120.566 120.300 -0.039 0.000 2.331 18 Y HA 0.675 5.225 4.550 -0.000 0.000 0.338 18 Y C 0.405 176.367 175.900 0.103 0.000 0.992 18 Y CA -0.547 57.565 58.100 0.020 0.000 1.121 18 Y CB 1.844 40.415 38.460 0.184 0.000 1.184 18 Y HN 0.868 nan 8.280 nan 0.000 0.469 32 R N 1.662 122.241 120.500 0.133 0.000 2.334 32 R HA 0.223 4.563 4.340 -0.000 0.000 0.216 32 R C -0.436 175.891 176.300 0.044 0.000 0.905 32 R CA -0.323 55.761 56.100 -0.028 0.000 1.064 32 R CB 0.205 30.439 30.300 -0.109 0.000 1.046 32 R HN 0.189 nan 8.270 nan 0.000 0.508 33 F N 1.464 121.579 119.950 0.275 0.000 2.563 33 F HA -0.018 4.509 4.527 -0.000 0.000 0.363 33 F C 1.728 177.688 175.800 0.268 0.000 1.123 33 F CA 0.519 58.640 58.000 0.202 0.000 1.307 33 F CB 0.578 39.620 39.000 0.069 0.000 1.115 33 F HN -0.048 nan 8.300 nan 0.000 0.592 34 Q N 1.025 121.059 119.800 0.390 0.000 2.280 34 Q HA 0.227 4.567 4.340 -0.000 0.000 0.244 34 Q C -0.854 175.343 176.000 0.327 0.000 0.847 34 Q CA 0.232 56.237 55.803 0.336 0.000 0.945 34 Q CB 0.942 29.778 28.738 0.165 0.000 1.115 34 Q HN 0.445 nan 8.270 nan 0.000 0.513 35 V N 2.491 122.613 119.914 0.348 0.000 2.370 35 V HA 0.309 4.429 4.120 -0.000 0.000 0.279 35 V C 0.070 176.301 176.094 0.228 0.000 1.029 35 V CA -0.472 61.961 62.300 0.222 0.000 0.870 35 V CB 1.172 33.103 31.823 0.180 0.000 0.984 35 V HN 0.245 nan 8.190 nan 0.000 0.451 36 S N 3.262 118.947 115.700 -0.024 0.000 2.681 36 S HA 0.540 5.010 4.470 -0.000 0.000 0.299 36 S C -0.298 174.286 174.600 -0.026 0.000 1.113 36 S CA -0.816 57.261 58.200 -0.205 0.000 1.013 36 S CB 1.840 64.537 63.200 -0.837 0.000 1.076 36 S HN 0.614 nan 8.310 nan 0.000 0.534 37 N N 1.186 119.926 118.700 0.066 0.000 2.851 37 N HA 0.385 5.125 4.740 -0.000 0.000 0.248 37 N C -2.392 173.219 175.510 0.168 0.000 1.221 37 N CA -2.158 50.951 53.050 0.098 0.000 0.847 37 N CB 1.177 39.713 38.487 0.083 0.000 1.150 37 N HN 0.228 nan 8.380 nan 0.000 0.507 38 P HA -0.176 nan 4.420 nan 0.000 0.215 38 P C 1.418 178.891 177.300 0.289 0.000 1.157 38 P CA 1.279 64.536 63.100 0.261 0.000 0.874 38 P CB 0.383 32.177 31.700 0.157 0.000 0.790 39 R N -0.249 120.396 120.500 0.242 0.000 2.083 39 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 39 R C 2.139 178.423 176.300 -0.027 0.000 1.137 39 R CA 1.639 57.794 56.100 0.092 0.000 0.951 39 R CB -1.211 29.131 30.300 0.070 0.000 0.851 39 R HN 0.082 nan 8.270 nan 0.000 0.434 40 L N 0.728 121.957 121.223 0.010 0.000 2.093 40 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 40 L C 2.285 179.132 176.870 -0.039 0.000 1.085 40 L CA 2.045 56.878 54.840 -0.011 0.000 0.755 40 L CB -0.575 41.492 42.059 0.015 0.000 0.904 40 L HN 0.300 nan 8.230 nan 0.000 0.435 41 A N -0.319 122.471 122.820 -0.051 0.000 1.902 41 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 41 A C 2.458 179.952 177.584 -0.150 0.000 1.181 41 A CA 1.857 53.800 52.037 -0.156 0.000 0.623 41 A CB -1.161 17.584 19.000 -0.424 0.000 0.818 41 A HN 0.579 nan 8.150 nan 0.000 0.443 42 A N -0.440 122.293 122.820 -0.144 0.000 1.898 42 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 42 A C 2.082 179.579 177.584 -0.145 0.000 1.181 42 A CA 1.692 53.621 52.037 -0.180 0.000 0.620 42 A CB -0.335 18.426 19.000 -0.398 0.000 0.819 42 A HN 0.334 nan 8.150 nan 0.000 0.442 43 K N 0.131 120.448 120.400 -0.139 0.000 2.063 43 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 43 K C 2.102 178.683 176.600 -0.031 0.000 1.048 43 K CA 1.748 57.982 56.287 -0.087 0.000 0.928 43 K CB -0.619 31.838 32.500 -0.071 0.000 0.713 43 K HN 0.704 nan 8.250 nan 0.000 0.442 44 Q N -0.506 119.274 119.800 -0.035 0.000 2.124 44 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 44 Q C 2.190 178.161 176.000 -0.049 0.000 0.977 44 Q CA 1.534 57.328 55.803 -0.016 0.000 0.850 44 Q CB -0.306 28.424 28.738 -0.013 0.000 0.901 44 Q HN 0.476 nan 8.270 nan 0.000 0.429 45 G N 0.613 109.373 108.800 -0.067 0.000 2.402 45 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 45 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 45 G C 1.385 176.247 174.900 -0.062 0.000 1.162 45 G CA 0.317 45.368 45.100 -0.081 0.000 0.777 45 G HN 0.159 nan 8.290 nan 0.000 0.539 46 L N -0.402 120.816 121.223 -0.008 0.000 2.093 46 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 46 L C 2.685 179.678 176.870 0.206 0.000 1.085 46 L CA 0.291 55.191 54.840 0.099 0.000 0.755 46 L CB -0.338 41.755 42.059 0.057 0.000 0.904 46 L HN 0.185 nan 8.230 nan 0.000 0.435 47 L N 0.391 121.698 121.223 0.139 0.000 2.012 47 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 47 L C 1.712 178.522 176.870 -0.098 0.000 1.073 47 L CA 1.583 56.491 54.840 0.113 0.000 0.748 47 L CB -0.470 41.656 42.059 0.113 0.000 0.891 47 L HN 0.139 nan 8.230 nan 0.000 0.431 51 A N 1.660 124.441 122.820 -0.065 0.000 1.883 51 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 51 A C 1.951 179.618 177.584 0.138 0.000 1.186 51 A CA 1.888 53.976 52.037 0.085 0.000 0.624 51 A CB -0.768 18.433 19.000 0.334 0.000 0.822 51 A HN 0.253 nan 8.150 nan 0.000 0.444 52 L N -0.954 120.356 121.223 0.144 0.000 2.056 52 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 52 L C 3.114 180.112 176.870 0.213 0.000 1.078 52 L CA 0.942 55.923 54.840 0.236 0.000 0.749 52 L CB -0.657 41.475 42.059 0.122 0.000 0.901 52 L HN 0.446 nan 8.230 nan 0.000 0.433 53 A N 0.236 123.093 122.820 0.062 0.000 1.865 53 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 53 A C 1.926 179.493 177.584 -0.029 0.000 1.191 53 A CA 2.147 54.185 52.037 0.003 0.000 0.623 53 A CB -0.633 18.336 19.000 -0.051 0.000 0.826 53 A HN 0.343 nan 8.150 nan 0.000 0.444 54 D N 0.028 120.402 120.400 -0.043 0.000 2.149 54 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 54 D C 1.949 178.218 176.300 -0.052 0.000 0.990 54 D CA 1.520 55.484 54.000 -0.059 0.000 0.839 54 D CB -0.371 40.388 40.800 -0.068 0.000 0.948 54 D HN 0.448 nan 8.370 nan 0.000 0.460 55 A N -0.630 122.192 122.820 0.003 0.000 2.235 55 A HA 0.369 4.689 4.320 -0.000 0.000 0.208 55 A C 1.765 179.161 177.584 -0.313 0.000 1.172 55 A CA 1.267 53.282 52.037 -0.037 0.000 0.786 55 A CB -0.202 18.918 19.000 0.200 0.000 0.804 55 A HN 0.291 nan 8.150 nan 0.000 0.479 56 G N -2.293 106.328 108.800 -0.300 0.000 2.179 56 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 56 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 56 G C -0.089 174.464 174.900 -0.579 0.000 0.990 56 G CA -0.107 44.713 45.100 -0.466 0.000 0.646 56 G HN 0.367 nan 8.290 nan 0.000 0.517 57 F N 1.733 121.614 119.950 -0.115 0.000 2.371 57 F HA 0.487 5.014 4.527 -0.000 0.000 0.363 57 F C -1.705 174.033 175.800 -0.103 0.000 1.122 57 F CA -2.398 55.536 58.000 -0.110 0.000 1.129 57 F CB 1.229 40.199 39.000 -0.051 0.000 1.173 57 F HN -0.180 nan 8.300 nan 0.000 0.489 58 P HA -0.087 nan 4.420 nan 0.000 0.259 58 P C -0.836 176.464 177.300 -0.001 0.000 1.163 58 P CA 0.394 63.511 63.100 0.028 0.000 0.760 58 P CB 0.453 32.231 31.700 0.129 0.000 0.762 59 Q N 2.757 122.517 119.800 -0.068 0.000 2.359 59 Q HA 0.777 5.117 4.340 -0.000 0.000 0.274 59 Q C -1.613 174.226 176.000 -0.267 0.000 1.074 59 Q CA -0.789 54.930 55.803 -0.139 0.000 0.810 59 Q CB 2.049 30.745 28.738 -0.069 0.000 1.342 59 Q HN 0.452 nan 8.270 nan 0.000 0.427 60 A N 1.893 124.457 122.820 -0.427 0.000 2.552 60 A HA 0.912 5.232 4.320 -0.000 0.000 0.288 60 A C -1.618 175.805 177.584 -0.269 0.000 1.193 60 A CA -0.384 51.341 52.037 -0.519 0.000 0.713 60 A CB 1.595 19.834 19.000 -1.267 0.000 1.305 60 A HN 0.745 nan 8.150 nan 0.000 0.424 61 V N -0.027 119.815 119.914 -0.120 0.000 3.007 61 V HA 0.735 4.855 4.120 -0.000 0.000 0.311 61 V C -1.576 174.583 176.094 0.108 0.000 1.120 61 V CA -0.693 61.617 62.300 0.015 0.000 0.980 61 V CB 1.846 33.659 31.823 -0.018 0.000 1.033 61 V HN 0.722 nan 8.190 nan 0.000 0.429 62 I N 6.759 127.400 120.570 0.118 0.000 2.466 62 I HA 0.468 4.638 4.170 -0.000 0.000 0.289 62 I C -2.417 173.756 176.117 0.093 0.000 1.026 62 I CA -1.903 59.469 61.300 0.121 0.000 1.078 62 I CB 2.599 40.694 38.000 0.159 0.000 1.249 62 I HN 0.516 nan 8.210 nan 0.000 0.429 63 P HA 0.245 nan 4.420 nan 0.000 0.274 63 P C -2.672 174.775 177.300 0.246 0.000 1.246 63 P CA -1.210 61.968 63.100 0.130 0.000 0.795 63 P CB 0.058 31.830 31.700 0.121 0.000 1.006 64 P HA 0.186 nan 4.420 nan 0.000 0.277 64 P C -0.200 177.370 177.300 0.450 0.000 1.276 64 P CA 0.018 63.282 63.100 0.273 0.000 0.788 64 P CB 0.772 32.615 31.700 0.238 0.000 1.114 65 H N -1.829 117.300 119.070 0.098 0.000 2.630 65 H HA 0.221 4.777 4.556 -0.000 0.000 0.343 65 H C 0.032 175.339 175.328 -0.036 0.000 1.232 65 H CA -0.865 55.240 56.048 0.095 0.000 1.294 65 H CB 1.194 30.992 29.762 0.060 0.000 1.746 65 H HN 0.458 nan 8.280 nan 0.000 0.593 66 E N 1.949 122.220 120.200 0.119 0.000 2.238 66 E HA -0.002 4.348 4.350 -0.000 0.000 0.264 66 E C -0.727 175.988 176.600 0.192 0.000 1.136 66 E CA -0.170 56.296 56.400 0.111 0.000 0.929 66 E CB 0.191 30.115 29.700 0.374 0.000 1.010 66 E HN 0.282 nan 8.360 nan 0.000 0.440 67 R N 4.715 125.247 120.500 0.053 0.000 2.564 67 R HA 0.355 4.695 4.340 -0.000 0.000 0.284 67 R C -2.650 173.632 176.300 -0.029 0.000 1.031 67 R CA -2.234 53.904 56.100 0.064 0.000 0.904 67 R CB 1.372 31.705 30.300 0.055 0.000 1.199 67 R HN 0.479 nan 8.270 nan 0.000 0.443 68 P HA 0.064 nan 4.420 nan 0.000 0.269 68 P C -0.579 176.791 177.300 0.117 0.000 1.215 68 P CA -0.160 62.967 63.100 0.046 0.000 0.780 68 P CB 0.340 32.032 31.700 -0.012 0.000 0.898 69 F N 3.659 123.617 119.950 0.014 0.000 2.384 69 F HA 0.189 4.716 4.527 -0.000 0.000 0.359 69 F C 1.082 176.897 175.800 0.026 0.000 1.143 69 F CA -0.351 57.667 58.000 0.031 0.000 1.216 69 F CB -0.290 38.743 39.000 0.055 0.000 1.512 69 F HN 0.152 nan 8.300 nan 0.000 0.573 70 I N 5.954 126.349 120.570 -0.291 0.000 2.208 70 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 70 I C -0.427 175.495 176.117 -0.324 0.000 1.097 70 I CA 1.054 62.204 61.300 -0.249 0.000 1.363 70 I CB -2.087 35.802 38.000 -0.185 0.000 1.051 70 I HN 0.362 nan 8.210 nan 0.000 0.413 71 P HA -0.161 nan 4.420 nan 0.000 0.217 71 P C 2.239 179.432 177.300 -0.179 0.000 1.151 71 P CA 1.194 64.040 63.100 -0.423 0.000 0.849 71 P CB 0.030 31.349 31.700 -0.636 0.000 0.787 72 V N -0.964 118.893 119.914 -0.095 0.000 2.667 72 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 72 V C 2.020 178.142 176.094 0.046 0.000 1.065 72 V CA 1.339 63.717 62.300 0.131 0.000 1.083 72 V CB -0.939 31.094 31.823 0.351 0.000 0.692 72 V HN 0.019 nan 8.190 nan 0.000 0.468 73 L N -0.602 120.615 121.223 -0.009 0.000 2.141 73 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 73 L C 2.781 179.697 176.870 0.077 0.000 1.094 73 L CA 1.461 56.285 54.840 -0.026 0.000 0.763 73 L CB -0.573 41.425 42.059 -0.101 0.000 0.908 73 L HN 0.244 nan 8.230 nan 0.000 0.437 74 R N -0.304 120.211 120.500 0.024 0.000 2.092 74 R HA -0.181 4.159 4.340 -0.000 0.000 0.231 74 R C 2.208 178.520 176.300 0.020 0.000 1.119 74 R CA 1.091 57.212 56.100 0.036 0.000 0.970 74 R CB -0.219 30.077 30.300 -0.007 0.000 0.864 74 R HN 0.413 nan 8.270 nan 0.000 0.440 75 Q N 0.742 120.550 119.800 0.013 0.000 2.226 75 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 75 Q C 1.647 177.633 176.000 -0.022 0.000 0.975 75 Q CA 0.963 56.772 55.803 0.010 0.000 0.866 75 Q CB 0.127 28.892 28.738 0.045 0.000 0.915 75 Q HN 0.327 nan 8.270 nan 0.000 0.440 76 L N -1.334 119.867 121.223 -0.037 0.000 2.599 76 L HA 0.153 4.493 4.340 -0.000 0.000 0.230 76 L C 1.100 177.896 176.870 -0.123 0.000 1.141 76 L CA 0.557 55.334 54.840 -0.105 0.000 0.877 76 L CB 0.245 42.161 42.059 -0.237 0.000 1.009 76 L HN 0.507 nan 8.230 nan 0.000 0.447 77 G N -0.680 108.057 108.800 -0.105 0.000 2.184 77 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.206 77 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.206 77 G C -0.002 174.695 174.900 -0.339 0.000 0.995 77 G CA -0.666 44.287 45.100 -0.245 0.000 0.651 77 G HN 0.138 nan 8.290 nan 0.000 0.511 78 F N 2.918 122.827 119.950 -0.067 0.000 2.405 78 F HA 0.629 5.156 4.527 0.000 0.000 0.355 78 F C 1.029 176.803 175.800 -0.044 0.000 1.121 78 F CA -0.137 57.834 58.000 -0.048 0.000 1.112 78 F CB 1.634 40.602 39.000 -0.052 0.000 1.126 78 F HN 0.239 nan 8.300 nan 0.000 0.481 79 S N 1.561 117.318 115.700 0.094 0.000 2.747 79 S HA 0.998 5.468 4.470 -0.000 0.000 0.300 79 S C 0.113 174.743 174.600 0.050 0.000 1.121 79 S CA -0.217 58.012 58.200 0.049 0.000 0.995 79 S CB 1.800 65.006 63.200 0.010 0.000 1.113 79 S HN 1.359 nan 8.310 nan 0.000 0.547 80 G N 0.634 109.450 108.800 0.025 0.000 2.342 80 G HA2 0.191 4.151 3.960 -0.000 0.000 0.220 80 G HA3 0.191 4.151 3.960 -0.000 0.000 0.220 80 G C -0.256 174.649 174.900 0.008 0.000 1.243 80 G CA -0.325 44.786 45.100 0.018 0.000 1.083 80 G HN 1.886 nan 8.290 nan 0.000 0.500 81 S N -0.310 115.391 115.700 0.003 0.000 2.669 81 S HA 0.523 4.993 4.470 -0.000 0.000 0.270 81 S C 0.905 175.495 174.600 -0.016 0.000 1.225 81 S CA 0.728 58.924 58.200 -0.007 0.000 0.991 81 S CB 1.534 64.730 63.200 -0.007 0.000 0.987 81 S HN 0.562 nan 8.310 nan 0.000 0.552 82 D N 0.899 121.283 120.400 -0.028 0.000 2.133 82 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 82 D C 1.738 178.010 176.300 -0.048 0.000 0.997 82 D CA 1.774 55.746 54.000 -0.046 0.000 0.840 82 D CB -0.292 40.474 40.800 -0.058 0.000 0.947 82 D HN 0.789 nan 8.370 nan 0.000 0.452 83 E N 0.006 120.183 120.200 -0.039 0.000 2.152 83 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 83 E C 2.185 178.768 176.600 -0.029 0.000 0.983 83 E CA 0.567 56.944 56.400 -0.039 0.000 0.818 83 E CB 0.057 29.737 29.700 -0.033 0.000 0.758 83 E HN 0.377 nan 8.360 nan 0.000 0.467 84 Q N 0.077 119.868 119.800 -0.015 0.000 2.079 84 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 84 Q C 2.370 178.374 176.000 0.007 0.000 0.974 84 Q CA 1.250 57.053 55.803 0.001 0.000 0.840 84 Q CB 0.023 28.768 28.738 0.011 0.000 0.898 84 Q HN 0.157 nan 8.270 nan 0.000 0.430 85 V N 1.461 121.376 119.914 0.002 0.000 2.287 85 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 85 V C 2.253 178.300 176.094 -0.079 0.000 1.053 85 V CA 1.631 63.932 62.300 0.002 0.000 1.027 85 V CB -0.593 31.224 31.823 -0.010 0.000 0.646 85 V HN 0.345 nan 8.190 nan 0.000 0.447 86 L N -0.293 120.880 121.223 -0.082 0.000 2.042 86 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 86 L C 2.681 179.494 176.870 -0.094 0.000 1.076 86 L CA 2.176 56.954 54.840 -0.104 0.000 0.749 86 L CB -0.305 41.705 42.059 -0.082 0.000 0.893 86 L HN 0.466 nan 8.230 nan 0.000 0.432 87 E N -0.203 119.964 120.200 -0.056 0.000 2.072 87 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 87 E C 2.154 178.742 176.600 -0.021 0.000 0.985 87 E CA 1.060 57.440 56.400 -0.034 0.000 0.801 87 E CB 0.138 29.829 29.700 -0.015 0.000 0.750 87 E HN 0.384 nan 8.360 nan 0.000 0.452 88 K N 0.012 120.414 120.400 0.004 0.000 2.057 88 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 88 K C 2.147 178.750 176.600 0.005 0.000 1.049 88 K CA 1.391 57.728 56.287 0.083 0.000 0.931 88 K CB -0.013 32.627 32.500 0.233 0.000 0.714 88 K HN 0.057 nan 8.250 nan 0.000 0.440 89 V N 1.292 121.045 119.914 -0.268 0.000 2.358 89 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 89 V C 2.341 178.321 176.094 -0.190 0.000 1.047 89 V CA 1.928 63.935 62.300 -0.488 0.000 1.035 89 V CB -0.614 30.818 31.823 -0.651 0.000 0.658 89 V HN 0.350 nan 8.190 nan 0.000 0.452 90 A N 0.136 122.881 122.820 -0.125 0.000 1.908 90 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 90 A C 2.387 179.955 177.584 -0.026 0.000 1.181 90 A CA 2.051 54.046 52.037 -0.070 0.000 0.627 90 A CB -0.441 18.525 19.000 -0.058 0.000 0.818 90 A HN 0.536 nan 8.150 nan 0.000 0.445 91 R N -0.991 119.507 120.500 -0.003 0.000 2.055 91 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 91 R C 2.538 178.877 176.300 0.065 0.000 1.135 91 R CA 1.594 57.712 56.100 0.031 0.000 0.959 91 R CB -0.327 29.997 30.300 0.039 0.000 0.854 91 R HN 0.676 nan 8.270 nan 0.000 0.431 92 Q N -0.385 119.480 119.800 0.108 0.000 2.089 92 Q HA 0.107 4.447 4.340 -0.000 0.000 0.195 92 Q C 0.303 176.422 176.000 0.199 0.000 0.963 92 Q CA 1.095 57.008 55.803 0.183 0.000 0.834 92 Q CB 0.499 29.429 28.738 0.320 0.000 0.906 92 Q HN 0.218 nan 8.270 nan 0.000 0.452 93 A N 0.822 123.724 122.820 0.135 0.000 3.409 93 A HA 0.251 4.571 4.320 -0.000 0.000 0.282 93 A C -2.174 175.227 177.584 -0.304 0.000 1.064 93 A CA -0.975 51.068 52.037 0.009 0.000 0.889 93 A CB 0.442 19.585 19.000 0.238 0.000 1.251 93 A HN -0.010 nan 8.150 nan 0.000 0.538 94 P HA -0.250 nan 4.420 nan 0.000 0.220 94 P C 1.006 178.226 177.300 -0.133 0.000 1.144 94 P CA 1.832 64.868 63.100 -0.106 0.000 0.800 94 P CB -0.330 31.359 31.700 -0.018 0.000 0.772 95 H N -3.487 115.527 119.070 -0.094 0.000 2.489 95 H HA -0.060 4.496 4.556 -0.000 0.000 0.293 95 H C 1.800 177.044 175.328 -0.140 0.000 1.066 95 H CA 0.748 56.694 56.048 -0.169 0.000 1.305 95 H CB -1.494 28.086 29.762 -0.304 0.000 1.386 95 H HN 0.206 nan 8.280 nan 0.000 0.551 96 W N 1.045 122.158 121.300 -0.312 0.000 2.467 96 W HA 0.047 4.707 4.660 -0.000 0.000 0.275 96 W C 1.780 178.283 176.519 -0.027 0.000 1.239 96 W CA 0.174 57.453 57.345 -0.111 0.000 1.266 96 W CB 0.023 29.360 29.460 -0.205 0.000 1.112 96 W HN 0.158 nan 8.180 nan 0.000 0.576 97 L N -0.375 120.915 121.223 0.112 0.000 2.013 97 L HA -0.319 4.021 4.340 -0.000 0.000 0.212 97 L C 2.688 179.606 176.870 0.079 0.000 1.073 97 L CA 1.742 56.611 54.840 0.049 0.000 0.753 97 L CB -1.235 40.798 42.059 -0.042 0.000 0.890 97 L HN -0.025 nan 8.230 nan 0.000 0.432 98 S N -0.778 114.975 115.700 0.087 0.000 2.368 98 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 98 S C 2.136 176.900 174.600 0.274 0.000 1.030 98 S CA 1.755 60.059 58.200 0.172 0.000 0.999 98 S CB -0.102 63.223 63.200 0.209 0.000 0.844 98 S HN 0.402 nan 8.310 nan 0.000 0.459 99 S N 0.705 116.589 115.700 0.306 0.000 2.442 99 S HA -0.056 4.414 4.470 -0.000 0.000 0.236 99 S C 1.514 176.361 174.600 0.412 0.000 1.007 99 S CA 1.231 59.694 58.200 0.438 0.000 0.965 99 S CB -0.091 63.556 63.200 0.746 0.000 0.773 99 S HN 0.726 nan 8.310 nan 0.000 0.504 100 V N -2.146 117.978 119.914 0.351 0.000 3.376 100 V HA 0.439 4.559 4.120 -0.000 0.000 0.313 100 V C 0.485 176.708 176.094 0.216 0.000 1.393 100 V CA -0.065 62.403 62.300 0.279 0.000 1.125 100 V CB 0.434 32.429 31.823 0.286 0.000 1.037 100 V HN 0.199 nan 8.190 nan 0.000 0.440 101 S N 0.101 115.927 115.700 0.210 0.000 2.855 101 S HA 0.301 4.771 4.470 -0.000 0.000 0.249 101 S C 0.595 175.357 174.600 0.270 0.000 1.033 101 S CA 0.166 58.471 58.200 0.175 0.000 1.038 101 S CB 0.434 63.665 63.200 0.051 0.000 0.960 101 S HN 0.585 nan 8.310 nan 0.000 0.548 102 S N 1.733 117.574 115.700 0.236 0.000 2.565 102 S HA 0.522 4.992 4.470 -0.000 0.000 0.276 102 S C 0.923 175.566 174.600 0.071 0.000 1.326 102 S CA -0.276 58.008 58.200 0.140 0.000 1.045 102 S CB 0.916 64.218 63.200 0.170 0.000 0.918 102 S HN 0.457 nan 8.310 nan 0.000 0.505 103 A N 3.536 126.360 122.820 0.006 0.000 2.370 103 A HA 0.219 4.539 4.320 -0.000 0.000 0.238 103 A C 1.868 179.307 177.584 -0.240 0.000 1.289 103 A CA 0.460 52.453 52.037 -0.073 0.000 0.885 103 A CB -0.872 18.114 19.000 -0.024 0.000 0.961 103 A HN 1.124 nan 8.150 nan 0.000 0.499 104 S N 0.811 116.441 115.700 -0.117 0.000 2.440 104 S HA -0.065 4.405 4.470 -0.000 0.000 0.240 104 S C -0.993 173.517 174.600 -0.149 0.000 1.014 104 S CA 0.493 58.652 58.200 -0.069 0.000 0.980 104 S CB -1.444 61.985 63.200 0.382 0.000 0.775 104 S HN 0.482 nan 8.310 nan 0.000 0.499 108 V N -0.076 119.937 119.914 0.166 0.000 3.383 108 V HA -0.019 4.101 4.120 -0.000 0.000 0.272 108 V C 1.770 177.924 176.094 0.101 0.000 1.181 108 V CA 2.072 64.441 62.300 0.116 0.000 1.171 108 V CB -0.539 31.350 31.823 0.111 0.000 0.800 108 V HN 0.258 nan 8.190 nan 0.000 0.515 109 A N 1.248 124.138 122.820 0.116 0.000 2.067 109 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 109 A C 1.847 179.436 177.584 0.008 0.000 1.158 109 A CA 1.878 53.949 52.037 0.057 0.000 0.661 109 A CB -0.789 18.236 19.000 0.042 0.000 0.801 109 A HN 0.699 nan 8.150 nan 0.000 0.452 110 N N -0.570 118.147 118.700 0.028 0.000 2.280 110 N HA 0.310 5.050 4.740 -0.000 0.000 0.192 110 N C 1.470 177.001 175.510 0.035 0.000 1.109 110 N CA 0.494 53.545 53.050 0.003 0.000 0.855 110 N CB 0.159 38.654 38.487 0.013 0.000 0.974 110 N HN 0.407 nan 8.380 nan 0.000 0.482 111 A N 0.522 123.368 122.820 0.042 0.000 1.902 111 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 111 A C 1.044 178.636 177.584 0.014 0.000 1.181 111 A CA 1.585 53.646 52.037 0.039 0.000 0.623 111 A CB -0.076 18.950 19.000 0.044 0.000 0.818 111 A HN 0.327 nan 8.150 nan 0.000 0.443 112 A N -3.492 119.322 122.820 -0.011 0.000 2.511 112 A HA 0.590 4.910 4.320 -0.000 0.000 0.293 112 A C -0.691 176.857 177.584 -0.061 0.000 1.098 112 A CA 0.021 52.039 52.037 -0.031 0.000 0.643 112 A CB 0.004 18.964 19.000 -0.065 0.000 1.302 112 A HN 0.242 nan 8.150 nan 0.000 0.446 113 T N 1.572 116.078 114.554 -0.080 0.000 2.807 113 T HA 0.602 4.952 4.350 -0.000 0.000 0.279 113 T C -0.408 174.186 174.700 -0.176 0.000 0.993 113 T CA -0.299 61.691 62.100 -0.183 0.000 0.970 113 T CB 0.772 69.537 68.868 -0.171 0.000 0.950 113 T HN 0.461 nan 8.240 nan 0.000 0.441 114 I N 2.283 122.726 120.570 -0.211 0.000 2.437 114 I HA 0.674 4.844 4.170 -0.000 0.000 0.298 114 I C 0.188 176.296 176.117 -0.015 0.000 0.984 114 I CA -1.278 59.958 61.300 -0.106 0.000 1.214 114 I CB 1.198 39.149 38.000 -0.082 0.000 1.365 114 I HN 0.754 nan 8.210 nan 0.000 0.469 115 A N 7.758 130.613 122.820 0.059 0.000 2.466 115 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 115 A C -2.648 175.017 177.584 0.135 0.000 1.234 115 A CA -1.387 50.727 52.037 0.128 0.000 0.752 115 A CB 0.695 19.781 19.000 0.144 0.000 1.153 115 A HN 0.401 nan 8.150 nan 0.000 0.458 116 P HA 0.041 nan 4.420 nan 0.000 0.269 116 P C 1.245 178.622 177.300 0.130 0.000 1.215 116 P CA 0.267 63.443 63.100 0.125 0.000 0.780 116 P CB 0.858 32.635 31.700 0.128 0.000 0.898 117 S N 1.532 117.303 115.700 0.119 0.000 2.465 117 S HA -0.193 4.277 4.470 -0.000 0.000 0.241 117 S C 1.720 176.373 174.600 0.088 0.000 1.000 117 S CA 1.082 59.344 58.200 0.104 0.000 0.964 117 S CB -1.136 62.101 63.200 0.062 0.000 0.763 117 S HN 0.493 nan 8.310 nan 0.000 0.512 118 A N 1.252 124.127 122.820 0.091 0.000 2.168 118 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 118 A C 1.340 178.970 177.584 0.078 0.000 1.152 118 A CA 1.085 53.171 52.037 0.082 0.000 0.716 118 A CB -0.195 18.863 19.000 0.096 0.000 0.794 118 A HN 0.492 nan 8.150 nan 0.000 0.465 119 D N -1.046 119.405 120.400 0.086 0.000 2.441 119 D HA 0.086 4.726 4.640 -0.000 0.000 0.210 119 D C 0.735 177.069 176.300 0.058 0.000 1.102 119 D CA 0.904 54.949 54.000 0.075 0.000 0.840 119 D CB 0.154 41.009 40.800 0.092 0.000 0.990 119 D HN 0.468 nan 8.370 nan 0.000 0.505 120 T N -1.550 113.043 114.554 0.064 0.000 2.909 120 T HA 0.374 4.724 4.350 -0.000 0.000 0.286 120 T C 1.535 176.252 174.700 0.029 0.000 1.002 120 T CA -0.644 61.474 62.100 0.031 0.000 1.074 120 T CB 1.497 70.423 68.868 0.097 0.000 0.984 120 T HN -0.130 nan 8.240 nan 0.000 0.495 121 L N 1.072 122.292 121.223 -0.005 0.000 2.201 121 L HA 0.042 4.382 4.340 -0.000 0.000 0.212 121 L C 2.003 178.895 176.870 0.036 0.000 1.105 121 L CA 1.204 56.049 54.840 0.010 0.000 0.775 121 L CB -0.381 41.672 42.059 -0.010 0.000 0.913 121 L HN 0.819 nan 8.230 nan 0.000 0.440 122 D N -0.878 119.567 120.400 0.075 0.000 2.402 122 D HA 0.069 4.709 4.640 -0.000 0.000 0.216 122 D C 1.341 177.695 176.300 0.090 0.000 1.128 122 D CA 0.450 54.506 54.000 0.094 0.000 0.833 122 D CB 0.277 41.159 40.800 0.137 0.000 0.971 122 D HN 0.174 nan 8.370 nan 0.000 0.503 123 G N 0.659 109.511 108.800 0.086 0.000 2.180 123 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.263 123 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.263 123 G C 0.186 175.120 174.900 0.056 0.000 0.989 123 G CA 0.709 45.846 45.100 0.063 0.000 0.692 123 G HN 0.499 nan 8.290 nan 0.000 0.526 124 K N -0.804 119.659 120.400 0.105 0.000 2.211 124 K HA 0.658 4.978 4.320 -0.000 0.000 0.237 124 K C 0.132 176.787 176.600 0.092 0.000 1.002 124 K CA -1.006 55.286 56.287 0.009 0.000 0.885 124 K CB 2.235 34.670 32.500 -0.107 0.000 1.136 124 K HN -0.015 nan 8.250 nan 0.000 0.448 125 V N 2.647 122.562 119.914 0.002 0.000 2.461 125 V HA 0.098 4.218 4.120 -0.000 0.000 0.275 125 V C -0.091 175.993 176.094 -0.017 0.000 1.047 125 V CA -0.238 62.124 62.300 0.103 0.000 0.955 125 V CB 0.327 32.287 31.823 0.227 0.000 0.988 125 V HN 0.587 nan 8.190 nan 0.000 0.471 126 H N 5.343 124.430 119.070 0.028 0.000 2.469 126 H HA 0.603 5.158 4.556 -0.000 0.000 0.342 126 H C -1.215 174.073 175.328 -0.066 0.000 1.115 126 H CA -0.694 55.359 56.048 0.007 0.000 1.204 126 H CB 2.179 32.026 29.762 0.142 0.000 1.492 126 H HN 0.353 nan 8.280 nan 0.000 0.499 127 L N 2.564 123.748 121.223 -0.065 0.000 2.404 127 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 127 L C 0.135 176.983 176.870 -0.038 0.000 0.980 127 L CA -0.329 54.432 54.840 -0.131 0.000 0.836 127 L CB 1.946 43.799 42.059 -0.343 0.000 1.238 127 L HN 0.521 nan 8.230 nan 0.000 0.408 128 T N 2.315 116.896 114.554 0.045 0.000 2.756 128 T HA 0.485 4.835 4.350 -0.000 0.000 0.290 128 T C 0.166 174.889 174.700 0.040 0.000 0.985 128 T CA -0.457 61.705 62.100 0.102 0.000 0.955 128 T CB 1.319 70.276 68.868 0.149 0.000 0.930 128 T HN 0.203 nan 8.240 nan 0.000 0.451 129 V N 3.290 123.224 119.914 0.033 0.000 2.673 129 V HA 0.320 4.440 4.120 -0.000 0.000 0.303 129 V C 0.869 176.989 176.094 0.043 0.000 1.046 129 V CA -0.478 61.837 62.300 0.025 0.000 1.126 129 V CB 0.300 32.138 31.823 0.024 0.000 0.934 129 V HN 1.031 nan 8.190 nan 0.000 0.487 130 A N 3.898 126.743 122.820 0.042 0.000 2.331 130 A HA 0.435 4.755 4.320 -0.000 0.000 0.283 130 A C 1.088 178.706 177.584 0.056 0.000 1.142 130 A CA -0.335 51.736 52.037 0.058 0.000 0.812 130 A CB 0.152 19.189 19.000 0.061 0.000 1.074 130 A HN 1.021 nan 8.150 nan 0.000 0.497 131 N N 2.408 121.145 118.700 0.061 0.000 2.309 131 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 131 N C 0.444 175.986 175.510 0.053 0.000 1.018 131 N CA 1.100 54.183 53.050 0.055 0.000 0.876 131 N CB -0.833 37.689 38.487 0.059 0.000 0.972 131 N HN 0.728 nan 8.380 nan 0.000 0.434 132 L N -0.106 121.158 121.223 0.068 0.000 3.678 132 L HA -0.274 4.066 4.340 -0.000 0.000 0.425 132 L C 1.151 178.056 176.870 0.058 0.000 1.240 132 L CA 0.421 55.303 54.840 0.070 0.000 0.876 132 L CB -2.047 40.037 42.059 0.042 0.000 1.766 132 L HN 0.486 nan 8.230 nan 0.000 0.917 133 N N 1.155 119.900 118.700 0.074 0.000 2.223 133 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 133 N C 1.479 177.046 175.510 0.095 0.000 1.016 133 N CA 1.560 54.660 53.050 0.083 0.000 0.863 133 N CB 0.054 38.590 38.487 0.083 0.000 0.983 133 N HN 0.697 nan 8.380 nan 0.000 0.429 134 N N 0.514 119.267 118.700 0.090 0.000 2.104 134 N HA -0.115 4.625 4.740 -0.000 0.000 0.190 134 N C -0.406 175.164 175.510 0.099 0.000 1.024 134 N CA 0.993 54.097 53.050 0.089 0.000 0.853 134 N CB 0.134 38.667 38.487 0.076 0.000 1.008 134 N HN 0.089 nan 8.380 nan 0.000 0.424 135 K N 0.909 121.351 120.400 0.069 0.000 2.265 135 K HA 0.056 4.376 4.320 -0.000 0.000 0.267 135 K C 0.430 177.089 176.600 0.098 0.000 0.994 135 K CA -0.572 55.760 56.287 0.075 0.000 0.860 135 K CB 0.922 33.373 32.500 -0.083 0.000 1.099 135 K HN 0.060 nan 8.250 nan 0.000 0.448 136 F N 4.652 124.681 119.950 0.131 0.000 2.063 136 F HA -0.347 4.180 4.527 0.000 0.000 0.298 136 F C 2.419 178.323 175.800 0.173 0.000 1.109 136 F CA 2.052 60.158 58.000 0.177 0.000 1.212 136 F CB 0.117 39.284 39.000 0.278 0.000 0.973 136 F HN 0.779 nan 8.300 nan 0.000 0.480 137 H N 0.134 119.203 119.070 -0.002 0.000 2.456 137 H HA -0.066 4.490 4.556 -0.000 0.000 0.296 137 H C 1.830 177.091 175.328 -0.111 0.000 1.079 137 H CA 1.552 57.521 56.048 -0.132 0.000 1.322 137 H CB -0.735 29.085 29.762 0.097 0.000 1.388 137 H HN 0.374 nan 8.280 nan 0.000 0.538 138 R N 0.869 121.062 120.500 -0.513 0.000 2.173 138 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 138 R C 2.582 178.787 176.300 -0.159 0.000 1.035 138 R CA 0.866 56.790 56.100 -0.293 0.000 1.004 138 R CB 0.018 30.158 30.300 -0.267 0.000 0.917 138 R HN 0.477 nan 8.270 nan 0.000 0.462 139 S N 1.188 116.797 115.700 -0.151 0.000 2.442 139 S HA -0.054 4.416 4.470 -0.000 0.000 0.236 139 S C 1.990 176.524 174.600 -0.110 0.000 1.007 139 S CA 0.739 58.894 58.200 -0.074 0.000 0.965 139 S CB -0.352 62.848 63.200 -0.000 0.000 0.773 139 S HN 0.230 nan 8.310 nan 0.000 0.504 140 L N 0.816 121.909 121.223 -0.218 0.000 2.376 140 L HA 0.012 4.352 4.340 -0.000 0.000 0.219 140 L C 2.707 179.458 176.870 -0.198 0.000 1.133 140 L CA 1.069 55.763 54.840 -0.244 0.000 0.816 140 L CB -0.577 41.273 42.059 -0.347 0.000 0.933 140 L HN 0.409 nan 8.230 nan 0.000 0.449 141 E N 0.657 120.798 120.200 -0.099 0.000 2.047 141 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 141 E C 2.385 179.024 176.600 0.065 0.000 0.987 141 E CA 1.028 57.449 56.400 0.035 0.000 0.799 141 E CB -0.191 29.520 29.700 0.017 0.000 0.752 141 E HN 0.473 nan 8.360 nan 0.000 0.449 142 A N 2.072 124.906 122.820 0.023 0.000 1.893 142 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 142 A C -0.222 177.368 177.584 0.009 0.000 1.309 142 A CA 2.413 54.466 52.037 0.026 0.000 0.681 142 A CB -1.946 17.067 19.000 0.023 0.000 0.842 142 A HN 0.176 nan 8.150 nan 0.000 0.468 143 P HA -0.118 nan 4.420 nan 0.000 0.215 143 P C 1.592 178.862 177.300 -0.049 0.000 1.157 143 P CA 1.758 64.850 63.100 -0.013 0.000 0.874 143 P CB -0.165 31.538 31.700 0.006 0.000 0.790 144 V N -1.063 118.789 119.914 -0.104 0.000 2.453 144 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 144 V C 2.299 178.255 176.094 -0.230 0.000 1.048 144 V CA 2.245 64.415 62.300 -0.218 0.000 1.049 144 V CB -1.795 29.782 31.823 -0.411 0.000 0.672 144 V HN 0.171 nan 8.190 nan 0.000 0.457 145 T N -0.408 114.103 114.554 -0.071 0.000 2.788 145 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 145 T C 1.874 176.566 174.700 -0.014 0.000 1.044 145 T CA 1.851 63.975 62.100 0.041 0.000 1.139 145 T CB -0.146 68.800 68.868 0.131 0.000 0.867 145 T HN 0.619 nan 8.240 nan 0.000 0.454 146 E N 0.510 120.694 120.200 -0.027 0.000 2.072 146 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 146 E C 2.364 178.930 176.600 -0.056 0.000 0.985 146 E CA 1.098 57.479 56.400 -0.032 0.000 0.801 146 E CB -0.024 29.664 29.700 -0.019 0.000 0.750 146 E HN 0.332 nan 8.360 nan 0.000 0.452 147 S N 0.744 116.392 115.700 -0.086 0.000 2.368 147 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 147 S C 1.960 176.475 174.600 -0.141 0.000 1.030 147 S CA 0.919 59.048 58.200 -0.119 0.000 0.999 147 S CB -0.215 62.890 63.200 -0.158 0.000 0.844 147 S HN 0.273 nan 8.310 nan 0.000 0.459 148 L N 0.986 122.116 121.223 -0.155 0.000 2.017 148 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 148 L C 2.279 179.110 176.870 -0.064 0.000 1.073 148 L CA 1.133 55.890 54.840 -0.138 0.000 0.745 148 L CB -0.658 41.344 42.059 -0.094 0.000 0.894 148 L HN 0.301 nan 8.230 nan 0.000 0.432 149 L N -0.381 120.836 121.223 -0.010 0.000 2.083 149 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 149 L C 2.535 179.456 176.870 0.085 0.000 1.083 149 L CA 1.204 56.098 54.840 0.089 0.000 0.752 149 L CB -0.382 41.691 42.059 0.023 0.000 0.899 149 L HN 0.171 nan 8.230 nan 0.000 0.433 150 K N -0.003 120.395 120.400 -0.004 0.000 2.211 150 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 150 K C 1.996 178.572 176.600 -0.040 0.000 1.050 150 K CA 1.159 57.438 56.287 -0.013 0.000 0.945 150 K CB -0.133 32.346 32.500 -0.035 0.000 0.732 150 K HN 0.269 nan 8.250 nan 0.000 0.451 151 A N -0.223 122.547 122.820 -0.083 0.000 2.081 151 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 151 A C 1.877 179.368 177.584 -0.154 0.000 1.158 151 A CA 0.689 52.657 52.037 -0.114 0.000 0.724 151 A CB -0.201 18.712 19.000 -0.146 0.000 0.826 151 A HN 0.167 nan 8.150 nan 0.000 0.463 152 I N -2.229 118.213 120.570 -0.213 0.000 2.556 152 I HA 0.031 4.201 4.170 -0.000 0.000 0.251 152 I C 0.089 175.792 176.117 -0.690 0.000 1.105 152 I CA 0.661 61.696 61.300 -0.442 0.000 1.436 152 I CB 0.108 37.769 38.000 -0.566 0.000 1.139 152 I HN 0.222 nan 8.210 nan 0.000 0.438 153 F N 1.531 121.284 119.950 -0.328 0.000 2.578 153 F HA 0.256 4.783 4.527 -0.000 0.000 0.314 153 F C 1.389 177.109 175.800 -0.133 0.000 1.225 153 F CA -0.254 57.404 58.000 -0.569 0.000 1.215 153 F CB -0.615 37.879 39.000 -0.845 0.000 1.448 153 F HN 0.024 nan 8.300 nan 0.000 0.548 154 N N 0.626 119.357 118.700 0.052 0.000 2.354 154 N HA -0.146 4.594 4.740 -0.000 0.000 0.179 154 N C 0.250 175.861 175.510 0.168 0.000 1.021 154 N CA 0.504 53.609 53.050 0.092 0.000 0.887 154 N CB 0.111 38.606 38.487 0.015 0.000 0.974 154 N HN 0.292 nan 8.380 nan 0.000 0.437 155 D N 1.849 122.423 120.400 0.289 0.000 2.346 155 D HA -0.020 4.620 4.640 -0.000 0.000 0.267 155 D C 0.498 176.867 176.300 0.114 0.000 1.320 155 D CA 0.221 54.323 54.000 0.170 0.000 0.951 155 D CB 0.525 41.397 40.800 0.119 0.000 1.079 155 D HN 0.245 nan 8.370 nan 0.000 0.509 156 E N 2.289 122.516 120.200 0.046 0.000 2.409 156 E HA -0.148 4.202 4.350 -0.000 0.000 0.198 156 E C 0.921 177.479 176.600 -0.071 0.000 1.024 156 E CA 0.545 56.945 56.400 -0.001 0.000 0.861 156 E CB 0.332 30.030 29.700 -0.004 0.000 0.788 156 E HN 0.589 nan 8.360 nan 0.000 0.521 157 E N 0.281 120.422 120.200 -0.099 0.000 2.435 157 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 157 E C 1.427 177.896 176.600 -0.219 0.000 1.029 157 E CA 0.458 56.783 56.400 -0.124 0.000 0.865 157 E CB 0.362 30.006 29.700 -0.094 0.000 0.833 157 E HN 0.071 nan 8.360 nan 0.000 0.510 158 K N -0.714 119.454 120.400 -0.387 0.000 2.399 158 K HA 0.169 4.489 4.320 -0.000 0.000 0.196 158 K C -0.208 175.875 176.600 -0.861 0.000 1.117 158 K CA 0.211 56.072 56.287 -0.711 0.000 0.965 158 K CB 0.917 32.790 32.500 -1.044 0.000 0.983 158 K HN -0.051 nan 8.250 nan 0.000 0.531 159 F N 0.538 120.447 119.950 -0.068 0.000 2.551 159 F HA 0.347 4.874 4.527 -0.000 0.000 0.316 159 F C -0.183 175.480 175.800 -0.229 0.000 1.089 159 F CA -1.116 56.805 58.000 -0.132 0.000 0.915 159 F CB 2.217 41.205 39.000 -0.019 0.000 1.186 159 F HN -0.352 nan 8.300 nan 0.000 0.456 160 S N 1.990 117.560 115.700 -0.217 0.000 2.733 160 S HA 0.491 4.961 4.470 -0.000 0.000 0.307 160 S C -0.783 173.484 174.600 -0.554 0.000 1.127 160 S CA -0.656 57.294 58.200 -0.417 0.000 1.097 160 S CB 1.345 64.143 63.200 -0.669 0.000 1.003 160 S HN 0.328 nan 8.310 nan 0.000 0.477 161 V N 5.647 125.318 119.914 -0.405 0.000 2.383 161 V HA 0.365 4.485 4.120 -0.000 0.000 0.275 161 V C -0.175 175.690 176.094 -0.381 0.000 1.036 161 V CA -0.542 61.546 62.300 -0.353 0.000 0.889 161 V CB 0.518 32.243 31.823 -0.163 0.000 0.985 161 V HN 0.757 nan 8.190 nan 0.000 0.459 162 H N 2.012 121.086 119.070 0.008 0.000 2.472 162 H HA 0.464 5.020 4.556 -0.000 0.000 0.338 162 H C 0.143 175.479 175.328 0.014 0.000 1.133 162 H CA -0.592 55.471 56.048 0.024 0.000 1.216 162 H CB 1.821 31.613 29.762 0.050 0.000 1.497 162 H HN 0.567 nan 8.280 nan 0.000 0.500 163 S N 0.854 116.634 115.700 0.134 0.000 2.584 163 S HA 0.298 4.768 4.470 -0.000 0.000 0.270 163 S C 0.670 175.317 174.600 0.078 0.000 1.346 163 S CA -0.572 57.675 58.200 0.077 0.000 1.018 163 S CB 0.703 63.939 63.200 0.060 0.000 0.899 163 S HN 0.772 nan 8.310 nan 0.000 0.542 164 A N 1.996 124.850 122.820 0.057 0.000 2.466 164 A HA 0.343 4.663 4.320 -0.000 0.000 0.238 164 A C 0.338 177.952 177.584 0.050 0.000 1.074 164 A CA -0.312 51.758 52.037 0.055 0.000 0.774 164 A CB -0.231 18.797 19.000 0.047 0.000 1.015 164 A HN 0.766 nan 8.150 nan 0.000 0.498 165 L N 1.454 122.706 121.223 0.049 0.000 2.476 165 L HA 0.176 4.516 4.340 -0.000 0.000 0.264 165 L C -1.821 175.072 176.870 0.039 0.000 1.224 165 L CA -1.475 53.389 54.840 0.039 0.000 0.821 165 L CB -0.162 41.919 42.059 0.037 0.000 1.101 165 L HN 0.466 nan 8.230 nan 0.000 0.488 166 P HA -0.081 nan 4.420 nan 0.000 0.264 166 P C -0.959 176.367 177.300 0.043 0.000 1.179 166 P CA 0.128 63.248 63.100 0.035 0.000 0.763 166 P CB 0.268 31.983 31.700 0.026 0.000 0.806 167 Q N 2.040 121.870 119.800 0.050 0.000 2.837 167 Q HA 0.229 4.569 4.340 -0.000 0.000 0.235 167 Q C -0.249 175.789 176.000 0.062 0.000 1.348 167 Q CA 0.095 55.934 55.803 0.061 0.000 0.990 167 Q CB -0.178 28.603 28.738 0.072 0.000 1.570 167 Q HN 0.266 nan 8.270 nan 0.000 0.575 168 V N -3.012 116.936 119.914 0.056 0.000 3.049 168 V HA 0.649 4.769 4.120 -0.000 0.000 0.309 168 V C 0.817 176.943 176.094 0.053 0.000 1.148 168 V CA -0.628 61.703 62.300 0.052 0.000 0.990 168 V CB 1.453 33.300 31.823 0.039 0.000 1.039 168 V HN 0.328 nan 8.190 nan 0.000 0.430 169 A N 1.863 124.715 122.820 0.054 0.000 2.024 169 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 169 A C 1.744 179.355 177.584 0.044 0.000 1.164 169 A CA 2.280 54.350 52.037 0.054 0.000 0.643 169 A CB -0.625 18.407 19.000 0.053 0.000 0.806 169 A HN 1.393 nan 8.150 nan 0.000 0.451 170 L N -1.085 120.156 121.223 0.031 0.000 2.191 170 L HA 0.047 4.387 4.340 -0.000 0.000 0.212 170 L C 1.156 178.033 176.870 0.012 0.000 1.103 170 L CA 1.616 56.465 54.840 0.015 0.000 0.769 170 L CB -0.155 41.907 42.059 0.005 0.000 0.908 170 L HN 0.343 nan 8.230 nan 0.000 0.438 171 L N 0.032 121.270 121.223 0.025 0.000 3.154 171 L HA 0.397 4.737 4.340 -0.000 0.000 0.266 171 L C 0.792 177.694 176.870 0.053 0.000 1.300 171 L CA -0.392 54.464 54.840 0.028 0.000 1.028 171 L CB -0.077 41.994 42.059 0.021 0.000 1.412 171 L HN 0.168 nan 8.230 nan 0.000 0.564 172 G N 0.134 108.973 108.800 0.065 0.000 2.254 172 G HA2 0.155 4.115 3.960 -0.000 0.000 0.253 172 G HA3 0.155 4.115 3.960 -0.000 0.000 0.253 172 G C -0.861 174.105 174.900 0.110 0.000 1.246 172 G CA 0.210 45.363 45.100 0.088 0.000 0.946 172 G HN 0.227 nan 8.290 nan 0.000 0.474 173 D N 1.057 121.526 120.400 0.115 0.000 2.757 173 D HA 0.296 4.936 4.640 -0.000 0.000 0.249 173 D C 0.462 176.848 176.300 0.143 0.000 1.168 173 D CA -0.630 53.451 54.000 0.135 0.000 0.870 173 D CB 1.448 42.316 40.800 0.114 0.000 1.411 173 D HN 0.250 nan 8.370 nan 0.000 0.525 174 E N 2.296 122.602 120.200 0.176 0.000 2.548 174 E HA 0.303 4.652 4.350 -0.000 0.000 0.206 174 E C 1.119 177.769 176.600 0.083 0.000 1.005 174 E CA 0.024 56.527 56.400 0.172 0.000 0.951 174 E CB 0.618 30.522 29.700 0.339 0.000 1.035 174 E HN 0.786 nan 8.360 nan 0.000 0.470 175 G N 1.885 110.739 108.800 0.091 0.000 2.552 175 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.265 175 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.265 175 G C 1.113 176.023 174.900 0.016 0.000 1.234 175 G CA 0.612 45.737 45.100 0.043 0.000 0.944 175 G HN 0.358 nan 8.290 nan 0.000 0.568 176 A N -0.655 122.151 122.820 -0.022 0.000 1.986 176 A HA 0.162 4.482 4.320 -0.000 0.000 0.220 176 A C 3.022 180.619 177.584 0.022 0.000 1.171 176 A CA 3.589 55.624 52.037 -0.003 0.000 0.640 176 A CB -1.054 17.945 19.000 -0.002 0.000 0.811 176 A HN 2.441 nan 8.150 nan 0.000 0.451 177 A N -0.466 122.333 122.820 -0.035 0.000 2.084 177 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 177 A C 1.561 179.147 177.584 0.003 0.000 1.161 177 A CA 1.682 53.668 52.037 -0.086 0.000 0.653 177 A CB -0.364 18.426 19.000 -0.349 0.000 0.802 177 A HN 0.546 nan 8.150 nan 0.000 0.457 178 N N -1.370 117.372 118.700 0.069 0.000 2.204 178 N HA 0.084 4.824 4.740 -0.000 0.000 0.219 178 N C -0.273 175.299 175.510 0.103 0.000 1.151 178 N CA -0.026 53.097 53.050 0.122 0.000 0.867 178 N CB 0.122 38.729 38.487 0.200 0.000 1.043 178 N HN 0.696 nan 8.380 nan 0.000 0.516 179 H N 0.725 119.735 119.070 -0.101 0.000 2.595 179 H HA 0.413 4.969 4.556 -0.000 0.000 0.346 179 H C -0.709 174.521 175.328 -0.162 0.000 1.181 179 H CA -0.230 55.660 56.048 -0.263 0.000 1.242 179 H CB 1.257 30.821 29.762 -0.330 0.000 1.652 179 H HN 0.006 nan 8.280 nan 0.000 0.548 180 N N 1.789 120.089 118.700 -0.668 0.000 2.405 180 N HA 0.186 4.926 4.740 -0.000 0.000 0.274 180 N C -1.422 173.792 175.510 -0.493 0.000 1.170 180 N CA -0.691 52.130 53.050 -0.382 0.000 0.848 180 N CB 3.010 41.376 38.487 -0.202 0.000 1.629 180 N HN 0.542 nan 8.380 nan 0.000 0.481 181 R N 1.647 122.026 120.500 -0.202 0.000 2.518 181 R HA 0.510 4.850 4.340 -0.000 0.000 0.296 181 R C -1.664 174.640 176.300 0.007 0.000 1.080 181 R CA -0.371 55.664 56.100 -0.110 0.000 0.922 181 R CB 0.846 31.133 30.300 -0.021 0.000 1.184 181 R HN 0.516 nan 8.270 nan 0.000 0.445 182 L N 3.656 124.882 121.223 0.005 0.000 2.334 182 L HA 0.920 5.260 4.340 -0.000 0.000 0.273 182 L C 0.394 177.296 176.870 0.054 0.000 1.013 182 L CA -0.564 54.312 54.840 0.059 0.000 0.816 182 L CB 2.317 44.433 42.059 0.095 0.000 1.278 182 L HN 0.928 nan 8.230 nan 0.000 0.431 183 G N 0.511 109.344 108.800 0.055 0.000 2.317 183 G HA2 0.383 4.343 3.960 -0.000 0.000 0.293 183 G HA3 0.383 4.343 3.960 -0.000 0.000 0.293 183 G C -0.286 174.608 174.900 -0.011 0.000 1.287 183 G CA -0.146 44.977 45.100 0.038 0.000 0.850 183 G HN 0.797 nan 8.290 nan 0.000 0.515 184 G N -0.993 107.801 108.800 -0.010 0.000 2.948 184 G HA2 0.396 4.356 3.960 -0.000 0.000 0.174 184 G HA3 0.396 4.356 3.960 -0.000 0.000 0.174 184 G C 0.194 174.981 174.900 -0.188 0.000 1.839 184 G CA 0.264 45.310 45.100 -0.088 0.000 0.908 184 G HN 0.794 nan 8.290 nan 0.000 0.419 185 H N -1.048 117.999 119.070 -0.038 0.000 2.629 185 H HA 0.268 4.824 4.556 -0.000 0.000 0.357 185 H C 1.024 176.375 175.328 0.038 0.000 1.121 185 H CA 0.035 56.054 56.048 -0.048 0.000 1.406 185 H CB 0.789 30.570 29.762 0.030 0.000 1.456 185 H HN 0.427 nan 8.280 nan 0.000 0.579 186 Y N 1.279 121.707 120.300 0.213 0.000 2.102 186 Y HA -0.277 4.273 4.550 -0.000 0.000 0.280 186 Y C 2.610 178.607 175.900 0.162 0.000 1.178 186 Y CA 0.865 59.070 58.100 0.176 0.000 1.146 186 Y CB -0.225 38.359 38.460 0.207 0.000 0.968 186 Y HN 0.851 nan 8.280 nan 0.000 0.504 187 G N -0.324 108.680 108.800 0.341 0.000 2.559 187 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.216 187 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.216 187 G C 0.226 175.219 174.900 0.155 0.000 1.126 187 G CA 0.118 45.343 45.100 0.208 0.000 0.778 187 G HN 0.346 nan 8.290 nan 0.000 0.543 188 E N 0.507 120.809 120.200 0.169 0.000 2.318 188 E HA 0.259 4.609 4.350 -0.000 0.000 0.265 188 E C -2.461 174.206 176.600 0.111 0.000 1.069 188 E CA -2.113 54.361 56.400 0.124 0.000 0.893 188 E CB 0.821 30.600 29.700 0.132 0.000 1.076 188 E HN -0.045 nan 8.360 nan 0.000 0.414 189 P HA -0.010 nan 4.420 nan 0.000 0.263 189 P C -0.492 176.851 177.300 0.072 0.000 1.195 189 P CA 0.356 63.500 63.100 0.073 0.000 0.762 189 P CB 0.593 32.326 31.700 0.055 0.000 0.799 193 L N 3.024 124.037 121.223 -0.351 0.000 2.316 193 L HA 0.604 4.944 4.340 -0.000 0.000 0.280 193 L C -1.809 174.910 176.870 -0.252 0.000 1.006 193 L CA -0.072 54.625 54.840 -0.237 0.000 0.836 193 L CB 0.644 42.568 42.059 -0.226 0.000 1.221 193 L HN 0.446 nan 8.230 nan 0.000 0.418 194 F N 4.868 124.725 119.950 -0.154 0.000 2.405 194 F HA 0.529 5.056 4.527 -0.000 0.000 0.355 194 F C 0.142 176.043 175.800 0.168 0.000 1.121 194 F CA -0.525 57.519 58.000 0.073 0.000 1.112 194 F CB 1.610 40.679 39.000 0.115 0.000 1.126 194 F HN 0.116 nan 8.300 nan 0.000 0.481 195 V N 5.175 125.273 119.914 0.305 0.000 2.435 195 V HA 0.411 4.531 4.120 -0.000 0.000 0.290 195 V C -0.626 175.644 176.094 0.293 0.000 1.030 195 V CA -0.854 61.578 62.300 0.220 0.000 0.881 195 V CB 0.912 32.847 31.823 0.187 0.000 0.983 195 V HN 0.627 nan 8.190 nan 0.000 0.445 196 Y N 1.627 122.065 120.300 0.230 0.000 2.602 196 Y HA 0.865 5.415 4.550 -0.000 0.000 0.342 196 Y C 0.877 176.858 175.900 0.134 0.000 1.029 196 Y CA -0.772 57.440 58.100 0.186 0.000 1.080 196 Y CB 1.752 40.323 38.460 0.185 0.000 1.284 196 Y HN 0.488 nan 8.280 nan 0.000 0.485 197 G N 0.324 109.309 108.800 0.308 0.000 2.762 197 G HA2 0.251 4.211 3.960 -0.000 0.000 0.209 197 G HA3 0.251 4.211 3.960 -0.000 0.000 0.209 197 G C -0.035 175.013 174.900 0.246 0.000 1.134 197 G CA -0.151 45.057 45.100 0.181 0.000 0.781 197 G HN 0.788 nan 8.290 nan 0.000 0.528 198 R N -0.638 120.072 120.500 0.350 0.000 2.734 198 R HA 0.717 5.057 4.340 -0.000 0.000 0.271 198 R C -1.979 174.409 176.300 0.146 0.000 1.021 198 R CA -0.840 55.404 56.100 0.239 0.000 0.893 198 R CB 1.496 31.873 30.300 0.128 0.000 1.244 198 R HN 0.041 nan 8.270 nan 0.000 0.464 199 E N 1.132 121.367 120.200 0.057 0.000 2.366 199 E HA 0.174 4.524 4.350 -0.000 0.000 0.278 199 E C -1.089 175.490 176.600 -0.036 0.000 0.923 199 E CA -0.768 55.583 56.400 -0.082 0.000 0.761 199 E CB 2.042 31.641 29.700 -0.168 0.000 1.231 199 E HN 0.547 nan 8.360 nan 0.000 0.443 200 E N 1.079 121.243 120.200 -0.060 0.000 2.384 200 E HA 0.229 4.579 4.350 -0.000 0.000 0.266 200 E C 0.798 177.380 176.600 -0.030 0.000 1.012 200 E CA 1.304 57.682 56.400 -0.036 0.000 0.901 200 E CB 1.144 30.818 29.700 -0.043 0.000 0.967 200 E HN 0.875 nan 8.360 nan 0.000 0.435 201 G N 3.536 112.328 108.800 -0.013 0.000 2.284 201 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.247 201 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.247 201 G C 0.502 175.404 174.900 0.003 0.000 1.012 201 G CA 0.241 45.336 45.100 -0.009 0.000 0.618 201 G HN 0.518 nan 8.290 nan 0.000 0.521 202 N N 1.716 120.423 118.700 0.012 0.000 2.415 202 N HA 0.339 5.079 4.740 -0.000 0.000 0.246 202 N C 1.168 176.699 175.510 0.036 0.000 1.078 202 N CA 0.528 53.597 53.050 0.033 0.000 0.942 202 N CB 0.928 39.452 38.487 0.062 0.000 1.140 202 N HN 0.547 nan 8.380 nan 0.000 0.501 203 D N 0.950 121.367 120.400 0.028 0.000 2.371 203 D HA -0.072 4.568 4.640 -0.000 0.000 0.221 203 D C -0.248 176.070 176.300 0.029 0.000 0.986 203 D CA 0.628 54.643 54.000 0.024 0.000 0.899 203 D CB 0.077 40.887 40.800 0.016 0.000 0.902 203 D HN 0.206 nan 8.370 nan 0.000 0.530 204 T N 1.729 116.307 114.554 0.040 0.000 2.739 204 T HA 0.286 4.636 4.350 -0.000 0.000 0.298 204 T C -0.099 174.634 174.700 0.055 0.000 0.929 204 T CA -0.573 61.551 62.100 0.041 0.000 1.014 204 T CB 0.281 69.175 68.868 0.045 0.000 0.914 204 T HN 0.306 nan 8.240 nan 0.000 0.509 205 R N 2.602 123.127 120.500 0.042 0.000 2.728 205 R HA 0.417 4.757 4.340 -0.000 0.000 0.274 205 R C -3.616 172.703 176.300 0.032 0.000 1.032 205 R CA -2.015 54.116 56.100 0.051 0.000 0.866 205 R CB -0.265 30.073 30.300 0.063 0.000 1.263 205 R HN 0.204 nan 8.270 nan 0.000 0.475 206 P HA 0.013 nan 4.420 nan 0.000 0.266 206 P C 0.240 177.547 177.300 0.012 0.000 1.193 206 P CA 0.232 63.347 63.100 0.026 0.000 0.770 206 P CB 0.587 32.322 31.700 0.057 0.000 0.836 207 S N 1.080 116.768 115.700 -0.019 0.000 2.666 207 S HA 0.187 4.657 4.470 -0.000 0.000 0.239 207 S C 1.231 175.791 174.600 -0.068 0.000 1.031 207 S CA -0.386 57.795 58.200 -0.031 0.000 1.015 207 S CB 0.118 63.297 63.200 -0.035 0.000 0.981 207 S HN 0.420 nan 8.310 nan 0.000 0.547 208 R N -0.089 120.340 120.500 -0.118 0.000 2.470 208 R HA 0.331 4.671 4.340 -0.000 0.000 0.210 208 R C -0.911 175.264 176.300 -0.208 0.000 0.873 208 R CA 0.103 56.054 56.100 -0.249 0.000 1.015 208 R CB 0.722 30.738 30.300 -0.473 0.000 1.348 208 R HN 0.497 nan 8.270 nan 0.000 0.650 209 Y N 2.411 122.706 120.300 -0.009 0.000 2.426 209 Y HA 0.408 4.957 4.550 -0.000 0.000 0.325 209 Y C -2.246 173.653 175.900 -0.002 0.000 0.989 209 Y CA -2.653 55.440 58.100 -0.012 0.000 1.284 209 Y CB 1.792 40.245 38.460 -0.013 0.000 1.104 209 Y HN 0.041 nan 8.280 nan 0.000 0.481 210 P HA -0.114 nan 4.420 nan 0.000 0.264 210 P C -0.519 176.837 177.300 0.092 0.000 1.173 210 P CA 0.280 63.440 63.100 0.100 0.000 0.761 210 P CB 0.694 32.443 31.700 0.082 0.000 0.794 211 A N 3.975 126.847 122.820 0.086 0.000 2.404 211 A HA 0.114 4.434 4.320 -0.000 0.000 0.273 211 A C 1.283 178.920 177.584 0.089 0.000 1.144 211 A CA -0.246 51.844 52.037 0.089 0.000 0.806 211 A CB -0.034 19.029 19.000 0.106 0.000 1.080 211 A HN 0.520 nan 8.150 nan 0.000 0.509 212 R N 0.808 121.356 120.500 0.080 0.000 2.153 212 R HA -0.037 4.303 4.340 -0.000 0.000 0.218 212 R C 0.379 176.758 176.300 0.133 0.000 1.072 212 R CA 0.776 56.933 56.100 0.095 0.000 0.990 212 R CB 0.075 30.425 30.300 0.082 0.000 0.889 212 R HN 0.774 nan 8.270 nan 0.000 0.452 213 Q N 1.500 121.395 119.800 0.159 0.000 2.307 213 Q HA 0.129 4.469 4.340 -0.000 0.000 0.262 213 Q C -0.956 175.168 176.000 0.206 0.000 0.961 213 Q CA -0.359 55.564 55.803 0.200 0.000 0.882 213 Q CB 1.666 30.555 28.738 0.253 0.000 1.264 213 Q HN 0.101 nan 8.270 nan 0.000 0.446 214 T N 0.191 114.837 114.554 0.152 0.000 2.918 214 T HA 0.409 4.759 4.350 -0.000 0.000 0.286 214 T C 0.707 175.401 174.700 -0.011 0.000 1.026 214 T CA -0.819 61.327 62.100 0.077 0.000 1.031 214 T CB 1.558 70.439 68.868 0.021 0.000 1.046 214 T HN 0.787 nan 8.240 nan 0.000 0.479 215 R N 0.516 120.835 120.500 -0.301 0.000 2.096 215 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 215 R C 1.677 177.770 176.300 -0.345 0.000 1.127 215 R CA 1.655 57.401 56.100 -0.591 0.000 0.968 215 R CB -0.315 29.254 30.300 -1.218 0.000 0.861 215 R HN 0.774 nan 8.270 nan 0.000 0.440 216 E N 0.518 120.568 120.200 -0.250 0.000 2.097 216 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 216 E C 1.827 178.354 176.600 -0.122 0.000 1.000 216 E CA 1.741 58.030 56.400 -0.185 0.000 0.804 216 E CB -0.328 29.301 29.700 -0.120 0.000 0.740 216 E HN 0.498 nan 8.360 nan 0.000 0.454 217 A N 0.359 123.148 122.820 -0.051 0.000 1.873 217 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 217 A C 2.363 179.969 177.584 0.036 0.000 1.186 217 A CA 1.761 53.804 52.037 0.011 0.000 0.616 217 A CB -0.699 18.340 19.000 0.065 0.000 0.823 217 A HN 0.212 nan 8.150 nan 0.000 0.442 218 S N 0.031 115.782 115.700 0.086 0.000 2.359 218 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 218 S C 1.808 176.391 174.600 -0.029 0.000 1.035 218 S CA 1.667 59.976 58.200 0.182 0.000 1.018 218 S CB -0.384 63.078 63.200 0.436 0.000 0.876 218 S HN 0.699 nan 8.310 nan 0.000 0.448 219 E N 1.098 121.200 120.200 -0.164 0.000 2.150 219 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 219 E C 2.309 178.817 176.600 -0.154 0.000 0.985 219 E CA 0.891 57.121 56.400 -0.283 0.000 0.814 219 E CB -0.220 29.145 29.700 -0.558 0.000 0.752 219 E HN 0.532 nan 8.360 nan 0.000 0.466 220 A N 0.931 123.682 122.820 -0.115 0.000 1.929 220 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 220 A C 2.467 180.019 177.584 -0.055 0.000 1.176 220 A CA 0.820 52.810 52.037 -0.078 0.000 0.628 220 A CB -0.435 18.533 19.000 -0.053 0.000 0.816 220 A HN 0.097 nan 8.150 nan 0.000 0.444 221 V N -0.069 119.832 119.914 -0.021 0.000 2.427 221 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 221 V C 3.042 179.137 176.094 0.002 0.000 1.051 221 V CA 1.763 64.084 62.300 0.035 0.000 1.048 221 V CB -1.133 30.786 31.823 0.160 0.000 0.666 221 V HN 0.600 nan 8.190 nan 0.000 0.456 222 A N -0.024 122.713 122.820 -0.138 0.000 1.908 222 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 222 A C 2.391 179.939 177.584 -0.060 0.000 1.181 222 A CA 1.907 53.858 52.037 -0.143 0.000 0.627 222 A CB -0.469 18.373 19.000 -0.262 0.000 0.818 222 A HN 0.510 nan 8.150 nan 0.000 0.445 223 R N -0.712 119.743 120.500 -0.074 0.000 2.066 223 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 223 R C 2.127 178.351 176.300 -0.126 0.000 1.131 223 R CA 1.433 57.483 56.100 -0.085 0.000 0.955 223 R CB -0.582 29.668 30.300 -0.084 0.000 0.851 223 R HN 0.508 nan 8.270 nan 0.000 0.432 224 L N 0.982 122.121 121.223 -0.140 0.000 2.079 224 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 224 L C 1.367 178.076 176.870 -0.268 0.000 1.081 224 L CA 1.055 55.732 54.840 -0.271 0.000 0.752 224 L CB -0.418 41.515 42.059 -0.210 0.000 0.896 224 L HN 0.175 nan 8.230 nan 0.000 0.433 225 N N 0.379 119.027 118.700 -0.086 0.000 2.434 225 N HA -0.047 4.693 4.740 -0.000 0.000 0.196 225 N C -0.096 175.205 175.510 -0.349 0.000 1.183 225 N CA 0.154 53.162 53.050 -0.070 0.000 0.849 225 N CB 0.035 38.575 38.487 0.089 0.000 0.992 225 N HN 0.275 nan 8.380 nan 0.000 0.460 226 Q N -1.020 118.594 119.800 -0.311 0.000 2.435 226 Q HA -0.163 4.177 4.340 -0.000 0.000 0.312 226 Q C -0.708 175.207 176.000 -0.142 0.000 1.333 226 Q CA 0.366 56.015 55.803 -0.257 0.000 0.883 226 Q CB -2.268 26.240 28.738 -0.383 0.000 1.170 226 Q HN 0.095 nan 8.270 nan 0.000 0.443 227 V N 1.381 121.258 119.914 -0.061 0.000 2.530 227 V HA 0.103 4.223 4.120 -0.000 0.000 0.282 227 V C 1.030 177.130 176.094 0.009 0.000 1.048 227 V CA -0.544 61.762 62.300 0.010 0.000 0.997 227 V CB 1.373 33.248 31.823 0.088 0.000 0.987 227 V HN 0.340 nan 8.190 nan 0.000 0.477 228 N N 6.272 124.983 118.700 0.019 0.000 2.411 228 N HA 0.024 4.764 4.740 -0.000 0.000 0.265 228 N C -1.591 173.931 175.510 0.021 0.000 1.266 228 N CA -1.088 51.972 53.050 0.016 0.000 0.889 228 N CB 1.552 40.052 38.487 0.021 0.000 1.069 228 N HN 0.334 nan 8.380 nan 0.000 0.476 229 P HA -0.152 nan 4.420 nan 0.000 0.217 229 P C 0.564 177.881 177.300 0.027 0.000 1.148 229 P CA 1.520 64.638 63.100 0.030 0.000 0.834 229 P CB 0.269 31.983 31.700 0.024 0.000 0.783 230 Q N -1.339 118.471 119.800 0.018 0.000 2.451 230 Q HA -0.003 4.337 4.340 -0.000 0.000 0.206 230 Q C 1.120 177.122 176.000 0.004 0.000 0.947 230 Q CA 0.599 56.408 55.803 0.011 0.000 0.937 230 Q CB -0.020 28.723 28.738 0.008 0.000 1.025 230 Q HN 0.459 nan 8.270 nan 0.000 0.511 231 Q N 0.052 119.857 119.800 0.009 0.000 2.201 231 Q HA 0.222 4.562 4.340 -0.000 0.000 0.236 231 Q C -0.941 175.061 176.000 0.002 0.000 0.857 231 Q CA -0.129 55.678 55.803 0.007 0.000 1.025 231 Q CB 1.242 29.996 28.738 0.026 0.000 1.124 231 Q HN -0.008 nan 8.270 nan 0.000 0.473 232 V N 1.043 120.943 119.914 -0.023 0.000 2.841 232 V HA 0.548 4.668 4.120 -0.000 0.000 0.310 232 V C -0.641 175.358 176.094 -0.157 0.000 1.090 232 V CA -0.706 61.541 62.300 -0.087 0.000 0.930 232 V CB 2.558 34.295 31.823 -0.143 0.000 1.014 232 V HN 0.181 nan 8.190 nan 0.000 0.425 233 I N 3.563 123.986 120.570 -0.245 0.000 2.569 233 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 233 I C -1.522 174.447 176.117 -0.246 0.000 1.088 233 I CA -0.281 60.917 61.300 -0.171 0.000 1.047 233 I CB 2.310 40.242 38.000 -0.115 0.000 1.237 233 I HN 0.431 nan 8.210 nan 0.000 0.421 234 F N 4.658 124.692 119.950 0.140 0.000 2.411 234 F HA 0.744 5.271 4.527 -0.000 0.000 0.352 234 F C 0.433 176.358 175.800 0.209 0.000 1.123 234 F CA -0.545 57.606 58.000 0.252 0.000 1.044 234 F CB 1.782 40.938 39.000 0.259 0.000 1.135 234 F HN 0.398 nan 8.300 nan 0.000 0.461 235 A N 3.387 126.352 122.820 0.241 0.000 2.386 235 A HA 0.605 4.925 4.320 -0.000 0.000 0.311 235 A C -1.009 176.342 177.584 -0.388 0.000 1.068 235 A CA -0.779 51.248 52.037 -0.017 0.000 0.743 235 A CB 1.569 20.491 19.000 -0.129 0.000 1.258 235 A HN 0.727 nan 8.150 nan 0.000 0.429 236 Q N 1.333 120.823 119.800 -0.518 0.000 2.243 236 Q HA 0.410 4.750 4.340 -0.000 0.000 0.252 236 Q C -0.175 175.685 176.000 -0.234 0.000 0.909 236 Q CA -0.469 54.854 55.803 -0.800 0.000 0.922 236 Q CB 0.886 29.333 28.738 -0.486 0.000 1.215 236 Q HN 0.755 nan 8.270 nan 0.000 0.427 237 Q N 2.242 121.923 119.800 -0.199 0.000 2.394 237 Q HA 0.051 4.391 4.340 -0.000 0.000 0.248 237 Q C -0.660 175.282 176.000 -0.096 0.000 0.992 237 Q CA -0.098 55.645 55.803 -0.100 0.000 0.888 237 Q CB 0.660 29.338 28.738 -0.100 0.000 1.257 237 Q HN 0.631 nan 8.270 nan 0.000 0.462 238 N N 4.468 123.089 118.700 -0.132 0.000 2.438 238 N HA 0.040 4.780 4.740 -0.000 0.000 0.267 238 N C -1.970 173.490 175.510 -0.083 0.000 1.222 238 N CA -1.395 51.595 53.050 -0.100 0.000 0.930 238 N CB 0.852 39.255 38.487 -0.139 0.000 1.083 238 N HN 0.419 nan 8.380 nan 0.000 0.476 239 P HA -0.116 nan 4.420 nan 0.000 0.219 239 P C 0.004 177.283 177.300 -0.035 0.000 1.146 239 P CA 1.237 64.322 63.100 -0.025 0.000 0.808 239 P CB 0.372 32.069 31.700 -0.005 0.000 0.779 240 D N -0.463 119.906 120.400 -0.051 0.000 2.183 240 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 240 D C 2.004 178.260 176.300 -0.073 0.000 0.969 240 D CA 0.511 54.476 54.000 -0.058 0.000 0.842 240 D CB -0.661 40.103 40.800 -0.060 0.000 0.957 240 D HN -0.013 nan 8.370 nan 0.000 0.484 241 V N 0.333 120.185 119.914 -0.104 0.000 2.591 241 V HA -0.092 4.028 4.120 -0.000 0.000 0.249 241 V C 1.884 177.934 176.094 -0.073 0.000 1.053 241 V CA 0.894 63.112 62.300 -0.136 0.000 1.068 241 V CB -0.147 31.536 31.823 -0.233 0.000 0.689 241 V HN 0.213 nan 8.190 nan 0.000 0.462 242 I N -0.068 120.479 120.570 -0.039 0.000 2.226 242 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 242 I C 2.025 178.230 176.117 0.147 0.000 1.100 242 I CA 1.672 62.996 61.300 0.039 0.000 1.374 242 I CB -0.485 37.541 38.000 0.043 0.000 1.057 242 I HN 0.294 nan 8.210 nan 0.000 0.413 243 D N 0.541 120.980 120.400 0.065 0.000 2.351 243 D HA -0.148 4.492 4.640 -0.000 0.000 0.216 243 D C 1.812 178.130 176.300 0.030 0.000 0.968 243 D CA 0.938 54.936 54.000 -0.002 0.000 0.899 243 D CB -0.043 40.696 40.800 -0.102 0.000 0.907 243 D HN 0.509 nan 8.370 nan 0.000 0.514 244 Q N -1.151 118.700 119.800 0.086 0.000 2.282 244 Q HA 0.271 4.611 4.340 -0.000 0.000 0.206 244 Q C 0.989 177.090 176.000 0.169 0.000 0.878 244 Q CA 0.303 56.158 55.803 0.086 0.000 0.944 244 Q CB 1.354 30.088 28.738 -0.007 0.000 1.100 244 Q HN 0.266 nan 8.270 nan 0.000 0.509 245 G N 0.121 109.071 108.800 0.250 0.000 2.227 245 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.168 245 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.168 245 G C 0.077 175.082 174.900 0.175 0.000 1.006 245 G CA -0.461 44.765 45.100 0.210 0.000 0.684 245 G HN 0.145 nan 8.290 nan 0.000 0.489 246 V N 3.566 123.508 119.914 0.046 0.000 2.223 246 V HA 0.338 4.458 4.120 -0.000 0.000 0.249 246 V C 1.411 177.464 176.094 -0.069 0.000 1.233 246 V CA 0.393 62.625 62.300 -0.113 0.000 1.131 246 V CB -1.211 30.500 31.823 -0.186 0.000 1.298 246 V HN 0.475 nan 8.190 nan 0.000 0.498 247 F N 0.820 120.654 119.950 -0.194 0.000 2.780 247 F HA 0.338 4.865 4.527 0.000 0.000 0.299 247 F C 0.815 176.317 175.800 -0.497 0.000 1.146 247 F CA -0.270 57.536 58.000 -0.323 0.000 1.428 247 F CB -0.367 38.392 39.000 -0.401 0.000 1.115 247 F HN 0.421 nan 8.300 nan 0.000 0.583 248 H N -1.336 117.550 119.070 -0.306 0.000 3.012 248 H HA 0.213 4.769 4.556 -0.000 0.000 0.367 248 H C 0.251 175.444 175.328 -0.225 0.000 1.211 248 H CA -0.840 55.083 56.048 -0.210 0.000 1.139 248 H CB 1.105 30.712 29.762 -0.258 0.000 1.838 248 H HN -0.195 nan 8.280 nan 0.000 0.550 249 N N 0.845 119.553 118.700 0.013 0.000 2.205 249 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 249 N C 1.021 176.476 175.510 -0.092 0.000 1.015 249 N CA 1.644 54.660 53.050 -0.056 0.000 0.862 249 N CB 0.059 38.570 38.487 0.040 0.000 0.986 249 N HN 0.718 nan 8.380 nan 0.000 0.429 250 D N -0.765 119.596 120.400 -0.066 0.000 2.348 250 D HA -0.053 4.587 4.640 -0.000 0.000 0.248 250 D C 0.729 176.942 176.300 -0.145 0.000 1.142 250 D CA 0.228 54.188 54.000 -0.067 0.000 0.904 250 D CB -0.162 40.609 40.800 -0.048 0.000 0.901 250 D HN 0.177 nan 8.370 nan 0.000 0.523 251 V N -0.369 119.398 119.914 -0.244 0.000 3.477 251 V HA 0.198 4.318 4.120 -0.000 0.000 0.297 251 V C 1.182 177.134 176.094 -0.238 0.000 1.433 251 V CA -0.028 62.052 62.300 -0.366 0.000 1.052 251 V CB 0.439 31.914 31.823 -0.580 0.000 0.895 251 V HN 0.134 nan 8.190 nan 0.000 0.438 252 I N -0.195 120.201 120.570 -0.290 0.000 4.557 252 I HA 0.730 4.900 4.170 -0.000 0.000 0.333 252 I C 0.329 175.889 176.117 -0.927 0.000 1.332 252 I CA 0.311 61.255 61.300 -0.594 0.000 1.240 252 I CB 0.952 38.603 38.000 -0.581 0.000 1.312 252 I HN 0.117 nan 8.210 nan 0.000 0.457 253 A N -0.386 122.204 122.820 -0.383 0.000 2.599 253 A HA 0.765 5.085 4.320 -0.000 0.000 0.294 253 A C -1.904 175.749 177.584 0.116 0.000 1.055 253 A CA -0.315 51.620 52.037 -0.170 0.000 0.683 253 A CB 1.406 20.336 19.000 -0.118 0.000 1.278 253 A HN 0.151 nan 8.150 nan 0.000 0.412 254 V N 1.310 121.371 119.914 0.245 0.000 2.932 254 V HA 0.841 4.961 4.120 -0.000 0.000 0.307 254 V C -0.430 175.805 176.094 0.235 0.000 1.147 254 V CA 0.373 62.813 62.300 0.233 0.000 0.951 254 V CB 2.367 34.352 31.823 0.270 0.000 1.031 254 V HN 2.024 nan 8.190 nan 0.000 0.426 255 S N 4.216 120.013 115.700 0.163 0.000 2.648 255 S HA 0.858 5.328 4.470 -0.000 0.000 0.305 255 S C -0.771 173.905 174.600 0.127 0.000 1.094 255 S CA -0.730 57.555 58.200 0.143 0.000 0.983 255 S CB 1.902 65.164 63.200 0.104 0.000 1.101 255 S HN 1.281 nan 8.310 nan 0.000 0.514 256 N N -0.020 118.748 118.700 0.113 0.000 2.999 256 N HA 0.287 5.027 4.740 -0.000 0.000 0.244 256 N C -0.079 175.463 175.510 0.054 0.000 1.106 256 N CA -0.281 52.843 53.050 0.123 0.000 1.018 256 N CB 0.679 39.235 38.487 0.115 0.000 1.600 256 N HN 0.745 nan 8.380 nan 0.000 0.621 257 R N 0.639 121.159 120.500 0.034 0.000 3.943 257 R HA -0.238 4.102 4.340 -0.000 0.000 0.368 257 R C 0.722 177.011 176.300 -0.018 0.000 0.242 257 R CA 1.859 57.904 56.100 -0.092 0.000 1.197 257 R CB -1.536 28.638 30.300 -0.210 0.000 0.990 257 R HN 0.860 nan 8.270 nan 0.000 0.565 258 Q N 2.125 121.896 119.800 -0.048 0.000 2.319 258 Q HA 0.192 4.532 4.340 -0.000 0.000 0.202 258 Q C 0.283 176.238 176.000 -0.074 0.000 0.896 258 Q CA 0.463 56.265 55.803 -0.003 0.000 0.942 258 Q CB 0.556 29.272 28.738 -0.037 0.000 1.083 258 Q HN 0.301 nan 8.270 nan 0.000 0.510 259 V N 2.195 122.068 119.914 -0.069 0.000 2.472 259 V HA 0.378 4.498 4.120 -0.000 0.000 0.290 259 V C -0.634 175.465 176.094 0.008 0.000 1.037 259 V CA -0.934 61.298 62.300 -0.112 0.000 0.908 259 V CB 1.574 33.351 31.823 -0.076 0.000 0.985 259 V HN 0.320 nan 8.190 nan 0.000 0.454 260 L N 5.646 126.869 121.223 -0.001 0.000 2.388 260 L HA 0.554 4.894 4.340 -0.000 0.000 0.267 260 L C -1.109 175.910 176.870 0.250 0.000 0.995 260 L CA -0.275 54.670 54.840 0.176 0.000 0.864 260 L CB 1.036 43.272 42.059 0.296 0.000 1.216 260 L HN 0.534 nan 8.230 nan 0.000 0.430 261 F N 6.644 126.676 119.950 0.136 0.000 2.404 261 F HA 0.597 5.124 4.527 -0.000 0.000 0.359 261 F C 0.113 176.104 175.800 0.318 0.000 1.134 261 F CA -0.917 57.215 58.000 0.220 0.000 1.160 261 F CB 0.118 39.246 39.000 0.214 0.000 1.186 261 F HN 0.738 nan 8.300 nan 0.000 0.526 262 C N 4.894 124.209 119.300 0.025 0.000 3.171 262 C HA 0.536 4.996 4.460 -0.000 0.000 0.308 262 C C -0.448 174.235 174.990 -0.512 0.000 1.334 262 C CA -0.908 57.894 59.018 -0.360 0.000 1.473 262 C CB 1.598 29.310 27.740 -0.047 0.000 1.866 262 C HN 0.831 nan 8.230 nan 0.000 0.465 263 H N 1.109 119.580 119.070 -0.997 0.000 2.505 263 H HA 0.218 4.774 4.556 -0.000 0.000 0.351 263 H C 1.180 176.302 175.328 -0.344 0.000 1.151 263 H CA 1.037 56.716 56.048 -0.616 0.000 1.339 263 H CB 1.722 31.052 29.762 -0.720 0.000 1.483 263 H HN 0.961 nan 8.280 nan 0.000 0.558 264 Q N 2.132 121.848 119.800 -0.140 0.000 2.226 264 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 264 Q C 0.544 176.578 176.000 0.056 0.000 0.975 264 Q CA 1.419 57.214 55.803 -0.013 0.000 0.866 264 Q CB 0.029 28.735 28.738 -0.053 0.000 0.915 264 Q HN 0.647 nan 8.270 nan 0.000 0.440 265 Q N -0.213 119.684 119.800 0.161 0.000 2.247 265 Q HA 0.282 4.622 4.340 -0.000 0.000 0.205 265 Q C 1.297 177.148 176.000 -0.248 0.000 0.896 265 Q CA 0.191 55.956 55.803 -0.062 0.000 0.950 265 Q CB 0.603 29.263 28.738 -0.130 0.000 1.054 265 Q HN 0.516 nan 8.270 nan 0.000 0.482 266 A N 0.576 123.177 122.820 -0.365 0.000 1.872 266 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 266 A C 0.436 177.487 177.584 -0.889 0.000 1.187 266 A CA 0.945 52.514 52.037 -0.781 0.000 0.614 266 A CB 0.098 18.389 19.000 -1.182 0.000 0.826 266 A HN 0.269 nan 8.150 nan 0.000 0.442 267 F N -2.742 117.143 119.950 -0.108 0.000 2.492 267 F HA 0.614 5.141 4.527 -0.000 0.000 0.327 267 F C 1.356 177.110 175.800 -0.077 0.000 1.079 267 F CA -0.478 57.462 58.000 -0.099 0.000 0.967 267 F CB 1.513 40.461 39.000 -0.088 0.000 1.169 267 F HN 0.144 nan 8.300 nan 0.000 0.472 268 A N 2.353 125.231 122.820 0.097 0.000 1.859 268 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 268 A C 1.377 178.993 177.584 0.053 0.000 1.198 268 A CA 1.403 53.465 52.037 0.041 0.000 0.629 268 A CB -0.420 18.591 19.000 0.018 0.000 0.830 268 A HN 0.775 nan 8.150 nan 0.000 0.446 269 R N -0.833 119.705 120.500 0.064 0.000 3.220 269 R HA 0.274 4.614 4.340 -0.000 0.000 0.324 269 R C 0.902 177.231 176.300 0.048 0.000 1.283 269 R CA -0.092 56.034 56.100 0.044 0.000 1.387 269 R CB 0.241 30.557 30.300 0.027 0.000 1.413 269 R HN 0.670 nan 8.270 nan 0.000 0.610 270 Q N 0.761 120.619 119.800 0.096 0.000 2.029 270 Q HA -0.246 4.094 4.340 -0.000 0.000 0.209 270 Q C 1.417 177.447 176.000 0.051 0.000 0.999 270 Q CA 2.529 58.403 55.803 0.119 0.000 0.857 270 Q CB 0.067 28.909 28.738 0.174 0.000 0.926 270 Q HN 0.389 nan 8.270 nan 0.000 0.415 271 S N 0.311 116.038 115.700 0.044 0.000 2.368 271 S HA -0.291 4.179 4.470 -0.000 0.000 0.226 271 S C 1.836 176.440 174.600 0.007 0.000 1.044 271 S CA 1.852 60.070 58.200 0.029 0.000 1.062 271 S CB -0.407 62.808 63.200 0.025 0.000 0.931 271 S HN 0.461 nan 8.310 nan 0.000 0.440 272 Q N 0.047 119.845 119.800 -0.002 0.000 2.084 272 Q HA -0.106 4.233 4.340 -0.000 0.000 0.202 272 Q C 2.342 178.309 176.000 -0.056 0.000 0.978 272 Q CA 1.203 56.993 55.803 -0.020 0.000 0.844 272 Q CB -0.407 28.324 28.738 -0.011 0.000 0.898 272 Q HN 0.398 nan 8.270 nan 0.000 0.426 273 L N 0.922 122.097 121.223 -0.080 0.000 1.994 273 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 273 L C 2.030 178.783 176.870 -0.196 0.000 1.071 273 L CA 1.638 56.380 54.840 -0.163 0.000 0.745 273 L CB -0.509 41.395 42.059 -0.260 0.000 0.892 273 L HN 0.174 nan 8.230 nan 0.000 0.431 274 L N -0.577 120.573 121.223 -0.121 0.000 2.046 274 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 274 L C 2.718 179.525 176.870 -0.105 0.000 1.077 274 L CA 1.251 56.047 54.840 -0.073 0.000 0.747 274 L CB -1.165 40.951 42.059 0.094 0.000 0.896 274 L HN 0.399 nan 8.230 nan 0.000 0.432 275 A N 0.317 123.104 122.820 -0.056 0.000 1.908 275 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 275 A C 2.122 179.644 177.584 -0.103 0.000 1.181 275 A CA 2.320 54.330 52.037 -0.045 0.000 0.627 275 A CB -1.029 17.957 19.000 -0.023 0.000 0.818 275 A HN 0.589 nan 8.150 nan 0.000 0.445 276 N N -0.823 117.796 118.700 -0.135 0.000 2.069 276 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 276 N C 1.598 176.962 175.510 -0.243 0.000 1.031 276 N CA 1.362 54.321 53.050 -0.152 0.000 0.852 276 N CB -0.149 38.255 38.487 -0.138 0.000 1.018 276 N HN 0.279 nan 8.380 nan 0.000 0.423 277 L N 1.614 122.585 121.223 -0.419 0.000 2.046 277 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 277 L C 2.448 178.928 176.870 -0.650 0.000 1.077 277 L CA 1.346 55.755 54.840 -0.718 0.000 0.747 277 L CB -0.790 40.441 42.059 -1.380 0.000 0.896 277 L HN 0.148 nan 8.230 nan 0.000 0.432 278 R N -0.888 119.348 120.500 -0.441 0.000 2.091 278 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 278 R C 2.189 178.465 176.300 -0.040 0.000 1.136 278 R CA 1.402 57.473 56.100 -0.048 0.000 0.959 278 R CB -0.523 29.822 30.300 0.073 0.000 0.856 278 R HN 0.393 nan 8.270 nan 0.000 0.437 279 A N 0.503 123.274 122.820 -0.081 0.000 1.968 279 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 279 A C 1.961 179.513 177.584 -0.053 0.000 1.169 279 A CA 1.037 53.044 52.037 -0.050 0.000 0.638 279 A CB -0.061 18.909 19.000 -0.050 0.000 0.812 279 A HN 0.172 nan 8.150 nan 0.000 0.446 280 R N -1.585 118.859 120.500 -0.093 0.000 2.254 280 R HA 0.219 4.559 4.340 -0.000 0.000 0.193 280 R C -0.625 175.642 176.300 -0.055 0.000 0.929 280 R CA 0.225 56.281 56.100 -0.074 0.000 1.038 280 R CB 0.718 30.961 30.300 -0.095 0.000 1.009 280 R HN 0.253 nan 8.270 nan 0.000 0.512 281 V N 2.361 122.237 119.914 -0.063 0.000 2.334 281 V HA 0.156 4.276 4.120 -0.000 0.000 0.281 281 V C -0.514 175.629 176.094 0.082 0.000 1.016 281 V CA -1.241 61.067 62.300 0.014 0.000 0.832 281 V CB 1.207 33.052 31.823 0.037 0.000 0.999 281 V HN 0.161 nan 8.190 nan 0.000 0.439 282 N N 3.781 122.516 118.700 0.059 0.000 2.447 282 N HA 0.179 4.919 4.740 -0.000 0.000 0.263 282 N C 1.279 176.830 175.510 0.068 0.000 1.226 282 N CA 1.670 54.754 53.050 0.057 0.000 0.906 282 N CB 0.989 39.498 38.487 0.038 0.000 1.060 282 N HN 1.061 nan 8.380 nan 0.000 0.468 283 G N 3.084 111.925 108.800 0.068 0.000 2.168 283 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 283 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 283 G C 0.333 175.267 174.900 0.056 0.000 0.977 283 G CA 0.458 45.583 45.100 0.042 0.000 0.659 283 G HN 0.675 nan 8.290 nan 0.000 0.533 287 I N 2.747 123.362 120.570 0.075 0.000 2.347 287 I HA 0.250 4.420 4.170 -0.000 0.000 0.283 287 I C 0.025 176.284 176.117 0.237 0.000 1.058 287 I CA -0.052 61.363 61.300 0.191 0.000 1.202 287 I CB 1.151 39.333 38.000 0.304 0.000 1.386 287 I HN 0.652 nan 8.210 nan 0.000 0.475 288 E N 5.217 125.495 120.200 0.130 0.000 2.227 288 E HA 0.345 4.695 4.350 -0.000 0.000 0.282 288 E C -0.795 175.797 176.600 -0.014 0.000 1.015 288 E CA -0.666 55.759 56.400 0.040 0.000 0.823 288 E CB 2.460 32.172 29.700 0.019 0.000 1.081 288 E HN 0.265 nan 8.360 nan 0.000 0.396 289 V N 6.079 125.892 119.914 -0.167 0.000 2.368 289 V HA 0.188 4.308 4.120 -0.000 0.000 0.266 289 V C -1.829 173.956 176.094 -0.515 0.000 1.045 289 V CA -1.794 60.292 62.300 -0.356 0.000 0.899 289 V CB 0.470 32.017 31.823 -0.460 0.000 1.006 289 V HN 0.592 nan 8.190 nan 0.000 0.470 290 P HA 0.108 nan 4.420 nan 0.000 0.271 290 P C 0.637 177.778 177.300 -0.264 0.000 1.216 290 P CA -0.048 62.911 63.100 -0.236 0.000 0.776 290 P CB 1.449 33.088 31.700 -0.102 0.000 0.881 291 A N 3.459 126.204 122.820 -0.126 0.000 1.978 291 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 291 A C 2.138 179.731 177.584 0.016 0.000 1.170 291 A CA 2.472 54.532 52.037 0.039 0.000 0.636 291 A CB -1.965 17.110 19.000 0.124 0.000 0.810 291 A HN 0.682 nan 8.150 nan 0.000 0.448 292 T N -2.861 111.688 114.554 -0.008 0.000 2.720 292 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 292 T C 1.926 176.631 174.700 0.009 0.000 1.037 292 T CA 1.589 63.693 62.100 0.007 0.000 1.144 292 T CB -0.348 68.523 68.868 0.006 0.000 0.864 292 T HN 0.424 nan 8.240 nan 0.000 0.444 293 Q N 0.547 120.331 119.800 -0.026 0.000 2.020 293 Q HA 0.178 4.518 4.340 -0.000 0.000 0.198 293 Q C 0.475 176.467 176.000 -0.013 0.000 0.974 293 Q CA 0.886 56.677 55.803 -0.020 0.000 0.829 293 Q CB -0.019 28.669 28.738 -0.084 0.000 0.894 293 Q HN 0.466 nan 8.270 nan 0.000 0.433 294 V N 1.459 121.335 119.914 -0.063 0.000 2.569 294 V HA 0.203 4.323 4.120 -0.000 0.000 0.301 294 V C -0.153 176.035 176.094 0.158 0.000 1.044 294 V CA -0.684 61.632 62.300 0.026 0.000 0.874 294 V CB 1.757 33.553 31.823 -0.045 0.000 1.002 294 V HN 0.256 nan 8.190 nan 0.000 0.424 295 S N 3.790 119.576 115.700 0.143 0.000 2.624 295 S HA 0.374 4.844 4.470 -0.000 0.000 0.263 295 S C 1.170 175.813 174.600 0.072 0.000 1.287 295 S CA -0.394 57.885 58.200 0.132 0.000 0.990 295 S CB 1.565 64.807 63.200 0.071 0.000 0.950 295 S HN 0.374 nan 8.310 nan 0.000 0.561 296 V N 1.275 121.139 119.914 -0.083 0.000 2.427 296 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 296 V C 2.917 178.960 176.094 -0.084 0.000 1.051 296 V CA 2.200 64.368 62.300 -0.220 0.000 1.048 296 V CB -1.241 30.429 31.823 -0.256 0.000 0.666 296 V HN 1.031 nan 8.190 nan 0.000 0.456 297 S N -0.083 115.598 115.700 -0.032 0.000 2.359 297 S HA -0.258 4.212 4.470 -0.000 0.000 0.224 297 S C 1.787 176.386 174.600 -0.002 0.000 1.035 297 S CA 2.024 60.225 58.200 0.002 0.000 1.018 297 S CB -0.449 62.764 63.200 0.022 0.000 0.876 297 S HN 0.650 nan 8.310 nan 0.000 0.448 298 D N 0.479 120.872 120.400 -0.013 0.000 2.144 298 D HA -0.049 4.591 4.640 -0.000 0.000 0.199 298 D C 2.087 178.331 176.300 -0.093 0.000 0.984 298 D CA 1.424 55.357 54.000 -0.111 0.000 0.834 298 D CB -0.932 39.816 40.800 -0.085 0.000 0.955 298 D HN 0.408 nan 8.370 nan 0.000 0.465 299 T N 0.456 115.006 114.554 -0.007 0.000 2.684 299 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 299 T C 2.207 176.920 174.700 0.022 0.000 1.036 299 T CA 0.824 62.952 62.100 0.046 0.000 1.148 299 T CB -0.263 68.662 68.868 0.094 0.000 0.863 299 T HN -0.019 nan 8.240 nan 0.000 0.436 300 V N 2.001 121.920 119.914 0.010 0.000 2.427 300 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 300 V C 2.755 178.978 176.094 0.214 0.000 1.051 300 V CA 1.911 64.248 62.300 0.063 0.000 1.048 300 V CB -0.719 31.141 31.823 0.062 0.000 0.666 300 V HN 0.652 nan 8.190 nan 0.000 0.456 301 S N 0.530 116.303 115.700 0.121 0.000 2.414 301 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 301 S C 1.941 176.613 174.600 0.121 0.000 1.022 301 S CA 1.411 59.679 58.200 0.114 0.000 0.958 301 S CB -0.480 62.747 63.200 0.045 0.000 0.797 301 S HN 0.709 nan 8.310 nan 0.000 0.493 302 T N -4.296 110.312 114.554 0.089 0.000 3.037 302 T HA 0.177 4.527 4.350 -0.000 0.000 0.252 302 T C 0.316 175.167 174.700 0.253 0.000 1.073 302 T CA 0.100 62.258 62.100 0.097 0.000 1.091 302 T CB -0.710 68.150 68.868 -0.013 0.000 0.935 302 T HN 0.267 nan 8.240 nan 0.000 0.488 303 Y N 0.123 120.425 120.300 0.002 0.000 3.790 303 Y HA -0.165 4.385 4.550 -0.000 0.000 0.226 303 Y C 1.159 177.067 175.900 0.014 0.000 1.257 303 Y CA -0.227 57.885 58.100 0.021 0.000 1.765 303 Y CB -2.315 36.162 38.460 0.029 0.000 1.552 303 Y HN 0.337 nan 8.280 nan 0.000 0.650 304 L N -0.747 120.493 121.223 0.027 0.000 2.043 304 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 304 L C 1.839 178.546 176.870 -0.272 0.000 1.075 304 L CA 2.273 57.034 54.840 -0.132 0.000 0.752 304 L CB -0.611 41.270 42.059 -0.297 0.000 0.891 304 L HN 0.273 nan 8.230 nan 0.000 0.432 305 F N -1.178 118.761 119.950 -0.017 0.000 2.765 305 F HA 0.128 4.655 4.527 -0.000 0.000 0.302 305 F C 1.771 177.552 175.800 -0.033 0.000 1.111 305 F CA 0.240 58.216 58.000 -0.041 0.000 1.359 305 F CB -0.442 38.451 39.000 -0.178 0.000 1.097 305 F HN 0.231 nan 8.300 nan 0.000 0.577 306 N N 0.826 119.561 118.700 0.059 0.000 2.378 306 N HA 0.002 4.742 4.740 -0.000 0.000 0.243 306 N C -0.123 175.470 175.510 0.139 0.000 1.137 306 N CA -0.097 52.989 53.050 0.059 0.000 0.862 306 N CB 0.216 38.728 38.487 0.041 0.000 1.116 306 N HN 0.156 nan 8.380 nan 0.000 0.499 307 S N -0.536 115.249 115.700 0.141 0.000 2.672 307 S HA 0.328 4.798 4.470 -0.000 0.000 0.276 307 S C -0.149 174.522 174.600 0.118 0.000 1.207 307 S CA -0.713 57.569 58.200 0.135 0.000 1.002 307 S CB 1.968 65.244 63.200 0.126 0.000 0.998 307 S HN 0.184 nan 8.310 nan 0.000 0.542 308 Q N 0.371 120.221 119.800 0.083 0.000 2.257 308 Q HA 0.483 4.823 4.340 -0.000 0.000 0.255 308 Q C -1.381 174.625 176.000 0.009 0.000 0.920 308 Q CA -0.697 55.134 55.803 0.047 0.000 0.927 308 Q CB 1.494 30.241 28.738 0.014 0.000 1.229 308 Q HN 0.556 nan 8.270 nan 0.000 0.433 309 L N 5.067 126.305 121.223 0.024 0.000 2.283 309 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 309 L C -1.390 175.476 176.870 -0.006 0.000 1.033 309 L CA 0.014 54.852 54.840 -0.005 0.000 0.848 309 L CB 0.361 42.441 42.059 0.036 0.000 1.226 309 L HN 0.539 nan 8.230 nan 0.000 0.429 310 L N 2.729 123.902 121.223 -0.083 0.000 2.375 310 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 310 L C 0.335 177.246 176.870 0.068 0.000 1.058 310 L CA -0.586 54.203 54.840 -0.085 0.000 0.803 310 L CB 1.551 43.289 42.059 -0.534 0.000 1.212 310 L HN 0.472 nan 8.230 nan 0.000 0.451 311 S N 0.763 116.607 115.700 0.240 0.000 2.482 311 S HA 0.573 5.043 4.470 -0.000 0.000 0.303 311 S C -0.434 174.356 174.600 0.318 0.000 1.091 311 S CA -0.905 57.430 58.200 0.224 0.000 1.057 311 S CB 1.723 65.013 63.200 0.149 0.000 1.031 311 S HN 0.382 nan 8.310 nan 0.000 0.485 312 R N 1.293 121.897 120.500 0.173 0.000 2.608 312 R HA 0.332 4.672 4.340 -0.000 0.000 0.255 312 R C 0.200 176.501 176.300 0.001 0.000 1.086 312 R CA -0.711 55.426 56.100 0.060 0.000 1.125 312 R CB 0.264 30.586 30.300 0.036 0.000 1.193 312 R HN 0.533 nan 8.270 nan 0.000 0.553 313 D N 0.685 121.052 120.400 -0.055 0.000 2.219 313 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 313 D C 0.920 177.220 176.300 -0.001 0.000 0.970 313 D CA 1.280 55.263 54.000 -0.027 0.000 0.851 313 D CB -0.080 40.688 40.800 -0.054 0.000 0.943 313 D HN 0.533 nan 8.370 nan 0.000 0.488 314 D N -1.045 119.347 120.400 -0.013 0.000 2.349 314 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 314 D C 1.572 177.864 176.300 -0.013 0.000 1.029 314 D CA 0.804 54.799 54.000 -0.008 0.000 0.879 314 D CB -0.140 40.651 40.800 -0.015 0.000 0.906 314 D HN 0.224 nan 8.370 nan 0.000 0.528 315 G N -0.691 108.097 108.800 -0.019 0.000 2.213 315 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.236 315 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.236 315 G C 0.480 175.355 174.900 -0.043 0.000 0.991 315 G CA 0.329 45.402 45.100 -0.045 0.000 0.629 315 G HN 0.626 nan 8.290 nan 0.000 0.517 320 V N 4.942 124.854 119.914 -0.003 0.000 2.364 320 V HA 0.500 4.620 4.120 -0.000 0.000 0.272 320 V C -0.038 176.130 176.094 0.123 0.000 1.036 320 V CA -0.155 62.190 62.300 0.076 0.000 0.880 320 V CB 1.431 33.327 31.823 0.123 0.000 0.991 320 V HN 0.423 nan 8.190 nan 0.000 0.460 321 L N 7.637 128.940 121.223 0.134 0.000 2.323 321 L HA 0.685 5.025 4.340 -0.000 0.000 0.265 321 L C -2.407 174.568 176.870 0.175 0.000 1.012 321 L CA -1.912 53.021 54.840 0.154 0.000 0.820 321 L CB 2.535 44.686 42.059 0.154 0.000 1.334 321 L HN 0.377 nan 8.230 nan 0.000 0.427 322 P HA 0.105 nan 4.420 nan 0.000 0.279 322 P C -0.364 176.999 177.300 0.104 0.000 1.252 322 P CA -0.473 62.715 63.100 0.146 0.000 0.811 322 P CB 1.275 33.053 31.700 0.129 0.000 1.035 323 Q N 0.585 120.426 119.800 0.069 0.000 2.248 323 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 323 Q C 1.470 177.484 176.000 0.022 0.000 0.984 323 Q CA 1.890 57.704 55.803 0.019 0.000 0.875 323 Q CB -0.257 28.481 28.738 0.001 0.000 0.910 323 Q HN 0.426 nan 8.270 nan 0.000 0.433 324 E N -1.031 119.197 120.200 0.047 0.000 2.209 324 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 324 E C 1.725 178.394 176.600 0.115 0.000 0.993 324 E CA 1.180 57.618 56.400 0.064 0.000 0.819 324 E CB -0.197 29.535 29.700 0.053 0.000 0.745 324 E HN 0.396 nan 8.360 nan 0.000 0.477 325 C N -0.067 119.317 119.300 0.139 0.000 2.446 325 C HA 0.067 4.527 4.460 -0.000 0.000 0.279 325 C C 2.492 177.655 174.990 0.288 0.000 1.366 325 C CA 0.397 59.548 59.018 0.222 0.000 1.763 325 C CB -0.546 27.337 27.740 0.237 0.000 1.929 325 C HN 0.309 nan 8.230 nan 0.000 0.509 326 R N 1.510 122.065 120.500 0.092 0.000 2.127 326 R HA 0.015 4.355 4.340 -0.000 0.000 0.217 326 R C 1.861 178.046 176.300 -0.191 0.000 1.074 326 R CA 1.340 57.289 56.100 -0.251 0.000 0.991 326 R CB -0.433 29.539 30.300 -0.547 0.000 0.895 326 R HN 0.391 nan 8.270 nan 0.000 0.450 327 E N -0.478 119.694 120.200 -0.045 0.000 2.482 327 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 327 E C -0.258 176.391 176.600 0.081 0.000 1.047 327 E CA 0.449 56.842 56.400 -0.012 0.000 0.869 327 E CB -0.205 29.501 29.700 0.010 0.000 0.836 327 E HN 0.384 nan 8.360 nan 0.000 0.520 328 H N 0.192 119.299 119.070 0.061 0.000 2.685 328 H HA 0.398 4.954 4.556 -0.000 0.000 0.286 328 H C 0.991 176.411 175.328 0.153 0.000 1.102 328 H CA 0.067 56.175 56.048 0.100 0.000 1.254 328 H CB 0.911 30.743 29.762 0.118 0.000 1.397 328 H HN -0.034 nan 8.280 nan 0.000 0.473 329 A N 3.724 126.477 122.820 -0.112 0.000 1.903 329 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 329 A C 2.483 180.098 177.584 0.051 0.000 1.191 329 A CA 1.939 53.977 52.037 0.002 0.000 0.638 329 A CB -1.229 17.741 19.000 -0.050 0.000 0.823 329 A HN 0.846 nan 8.150 nan 0.000 0.451 330 G N -0.972 107.757 108.800 -0.118 0.000 2.421 330 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 330 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 330 G C 1.531 176.612 174.900 0.302 0.000 1.171 330 G CA 1.288 46.447 45.100 0.098 0.000 0.775 330 G HN 0.355 nan 8.290 nan 0.000 0.543 331 V N -0.156 120.082 119.914 0.541 0.000 2.323 331 V HA -0.097 4.023 4.120 -0.000 0.000 0.244 331 V C 2.261 178.570 176.094 0.357 0.000 1.041 331 V CA 1.531 64.083 62.300 0.419 0.000 1.025 331 V CB -0.554 31.485 31.823 0.360 0.000 0.656 331 V HN 0.641 nan 8.190 nan 0.000 0.451 332 W N 1.177 122.577 121.300 0.166 0.000 2.342 332 W HA -0.155 4.505 4.660 -0.000 0.000 0.297 332 W C 2.120 178.677 176.519 0.063 0.000 1.213 332 W CA 1.614 59.013 57.345 0.088 0.000 1.251 332 W CB -0.391 29.101 29.460 0.054 0.000 1.136 332 W HN 0.367 nan 8.180 nan 0.000 0.526 333 G N -0.301 108.576 108.800 0.129 0.000 2.421 333 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.216 333 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.216 333 G C 1.240 176.106 174.900 -0.058 0.000 1.171 333 G CA 1.222 46.327 45.100 0.010 0.000 0.775 333 G HN 0.430 nan 8.290 nan 0.000 0.543 334 Y N 1.226 121.500 120.300 -0.043 0.000 2.181 334 Y HA -0.043 4.507 4.550 -0.000 0.000 0.288 334 Y C 2.537 178.365 175.900 -0.120 0.000 1.146 334 Y CA 1.396 59.468 58.100 -0.046 0.000 1.164 334 Y CB -0.342 38.128 38.460 0.016 0.000 0.982 334 Y HN 0.119 nan 8.280 nan 0.000 0.515 335 L N 0.327 121.342 121.223 -0.348 0.000 2.046 335 L HA -0.271 4.068 4.340 -0.000 0.000 0.208 335 L C 2.338 178.839 176.870 -0.616 0.000 1.077 335 L CA 1.513 56.046 54.840 -0.513 0.000 0.747 335 L CB -0.664 41.144 42.059 -0.418 0.000 0.896 335 L HN 0.316 nan 8.230 nan 0.000 0.432 336 N N -0.125 118.183 118.700 -0.652 0.000 2.244 336 N HA -0.177 4.563 4.740 -0.000 0.000 0.183 336 N C 1.710 176.996 175.510 -0.373 0.000 1.016 336 N CA 1.209 53.942 53.050 -0.528 0.000 0.866 336 N CB 0.024 38.222 38.487 -0.483 0.000 0.980 336 N HN 0.488 nan 8.380 nan 0.000 0.430 337 E N 0.701 120.678 120.200 -0.372 0.000 2.072 337 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 337 E C 1.983 178.374 176.600 -0.348 0.000 0.985 337 E CA 0.457 56.679 56.400 -0.296 0.000 0.801 337 E CB -0.067 29.487 29.700 -0.243 0.000 0.750 337 E HN 0.123 nan 8.360 nan 0.000 0.452 338 L N 0.978 121.875 121.223 -0.544 0.000 2.083 338 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 338 L C 2.173 178.844 176.870 -0.331 0.000 1.083 338 L CA 1.159 55.711 54.840 -0.480 0.000 0.752 338 L CB -0.268 41.399 42.059 -0.653 0.000 0.899 338 L HN 0.133 nan 8.230 nan 0.000 0.433 339 L N -0.199 120.821 121.223 -0.338 0.000 2.079 339 L HA -0.105 4.234 4.340 -0.000 0.000 0.210 339 L C 2.311 179.066 176.870 -0.192 0.000 1.081 339 L CA 2.096 56.780 54.840 -0.260 0.000 0.752 339 L CB -0.815 41.080 42.059 -0.272 0.000 0.896 339 L HN 0.302 nan 8.230 nan 0.000 0.433 340 A N -1.027 121.681 122.820 -0.185 0.000 2.132 340 A HA 0.518 4.838 4.320 -0.000 0.000 0.213 340 A C 1.429 178.943 177.584 -0.116 0.000 1.154 340 A CA 0.438 52.394 52.037 -0.134 0.000 0.753 340 A CB -0.767 18.161 19.000 -0.119 0.000 0.826 340 A HN 0.449 nan 8.150 nan 0.000 0.469 341 A N 0.210 122.950 122.820 -0.134 0.000 2.346 341 A HA 0.368 4.688 4.320 -0.000 0.000 0.255 341 A C -0.041 177.488 177.584 -0.090 0.000 1.113 341 A CA 0.101 52.076 52.037 -0.103 0.000 0.798 341 A CB -0.069 18.867 19.000 -0.107 0.000 1.073 341 A HN 0.238 nan 8.150 nan 0.000 0.502 342 D N 0.260 120.619 120.400 -0.069 0.000 2.470 342 D HA 0.373 5.013 4.640 -0.000 0.000 0.226 342 D C -0.394 175.865 176.300 -0.069 0.000 1.196 342 D CA 0.247 54.209 54.000 -0.062 0.000 0.979 342 D CB -0.747 40.025 40.800 -0.047 0.000 1.059 342 D HN 0.638 nan 8.370 nan 0.000 0.515 343 N N 0.668 119.318 118.700 -0.084 0.000 3.046 343 N HA 0.387 5.127 4.740 -0.000 0.000 0.243 343 N C -2.474 172.976 175.510 -0.100 0.000 1.452 343 N CA -1.136 51.858 53.050 -0.093 0.000 0.882 343 N CB 0.531 38.955 38.487 -0.104 0.000 1.425 343 N HN -0.203 nan 8.380 nan 0.000 0.517 344 P HA 0.113 nan 4.420 nan 0.000 0.222 344 P C -0.260 176.979 177.300 -0.103 0.000 1.147 344 P CA 0.752 63.795 63.100 -0.094 0.000 0.790 344 P CB 0.161 31.805 31.700 -0.093 0.000 0.780 345 I N 0.167 120.654 120.570 -0.138 0.000 2.576 345 I HA -0.044 4.126 4.170 -0.000 0.000 0.288 345 I C 0.705 176.738 176.117 -0.141 0.000 1.126 345 I CA 0.647 61.850 61.300 -0.161 0.000 1.362 345 I CB 0.118 37.971 38.000 -0.245 0.000 1.419 345 I HN -0.084 nan 8.210 nan 0.000 0.533 346 S N 4.507 120.144 115.700 -0.105 0.000 2.603 346 S HA 0.172 4.642 4.470 -0.000 0.000 0.232 346 S C 0.192 174.744 174.600 -0.080 0.000 1.016 346 S CA -0.316 57.831 58.200 -0.089 0.000 0.976 346 S CB 0.238 63.401 63.200 -0.061 0.000 0.921 346 S HN 0.733 nan 8.310 nan 0.000 0.516 347 E N 0.884 121.034 120.200 -0.085 0.000 2.352 347 E HA 0.497 4.847 4.350 -0.000 0.000 0.280 347 E C -1.915 174.635 176.600 -0.082 0.000 0.930 347 E CA -0.588 55.773 56.400 -0.065 0.000 0.765 347 E CB 1.193 30.881 29.700 -0.021 0.000 1.219 347 E HN 0.089 nan 8.360 nan 0.000 0.434 348 L N 3.117 124.302 121.223 -0.065 0.000 2.333 348 L HA 0.598 4.938 4.340 -0.000 0.000 0.280 348 L C -0.651 176.220 176.870 0.000 0.000 1.004 348 L CA -1.011 53.804 54.840 -0.042 0.000 0.820 348 L CB 1.623 43.647 42.059 -0.058 0.000 1.247 348 L HN 0.311 nan 8.230 nan 0.000 0.416 349 K N 2.690 123.073 120.400 -0.028 0.000 2.463 349 K HA 0.630 4.950 4.320 -0.000 0.000 0.255 349 K C -1.447 175.055 176.600 -0.163 0.000 0.942 349 K CA -0.433 55.779 56.287 -0.125 0.000 0.814 349 K CB 1.889 34.294 32.500 -0.158 0.000 1.122 349 K HN 0.294 nan 8.250 nan 0.000 0.425 350 V N 5.293 125.060 119.914 -0.246 0.000 2.581 350 V HA 0.604 4.724 4.120 -0.000 0.000 0.303 350 V C -0.729 175.124 176.094 -0.402 0.000 1.041 350 V CA -0.627 61.560 62.300 -0.189 0.000 0.907 350 V CB 1.084 32.854 31.823 -0.088 0.000 0.994 350 V HN 0.660 nan 8.190 nan 0.000 0.442 351 F N 1.301 121.266 119.950 0.025 0.000 2.563 351 F HA 0.429 4.956 4.527 -0.000 0.000 0.316 351 F C -0.042 175.765 175.800 0.011 0.000 1.076 351 F CA -0.771 57.239 58.000 0.017 0.000 0.921 351 F CB 1.930 40.945 39.000 0.024 0.000 1.209 351 F HN 0.421 nan 8.300 nan 0.000 0.462 352 D N 3.549 124.086 120.400 0.229 0.000 2.365 352 D HA 0.298 4.938 4.640 -0.000 0.000 0.237 352 D C -0.443 175.919 176.300 0.104 0.000 1.190 352 D CA 0.245 54.314 54.000 0.115 0.000 0.867 352 D CB 0.594 41.437 40.800 0.072 0.000 1.050 352 D HN 0.505 nan 8.370 nan 0.000 0.491 353 L N 4.945 126.216 121.223 0.079 0.000 3.186 353 L HA 0.262 4.602 4.340 -0.000 0.000 0.292 353 L C 1.797 178.685 176.870 0.031 0.000 1.303 353 L CA -0.565 54.308 54.840 0.055 0.000 0.940 353 L CB 0.444 42.548 42.059 0.076 0.000 1.358 353 L HN 0.123 nan 8.230 nan 0.000 0.581 354 R N 0.627 121.132 120.500 0.008 0.000 2.091 354 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 354 R C 1.698 177.999 176.300 0.001 0.000 1.136 354 R CA 1.304 57.388 56.100 -0.027 0.000 0.959 354 R CB 0.017 30.281 30.300 -0.060 0.000 0.856 354 R HN 0.411 nan 8.270 nan 0.000 0.437 355 E N 0.729 120.958 120.200 0.049 0.000 2.051 355 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 355 E C 1.172 177.910 176.600 0.231 0.000 0.991 355 E CA 0.500 57.000 56.400 0.167 0.000 0.799 355 E CB -0.389 29.353 29.700 0.071 0.000 0.748 355 E HN 0.113 nan 8.360 nan 0.000 0.449 359 N N 0.546 119.423 118.700 0.295 0.000 2.235 359 N HA 0.328 5.068 4.740 -0.000 0.000 0.209 359 N C 0.974 176.557 175.510 0.122 0.000 1.122 359 N CA 1.286 54.559 53.050 0.371 0.000 0.845 359 N CB 1.016 39.939 38.487 0.727 0.000 1.004 359 N HN 1.224 nan 8.380 nan 0.000 0.499 360 G N -0.508 108.300 108.800 0.014 0.000 2.130 360 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 360 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 360 G C 0.189 174.961 174.900 -0.213 0.000 0.999 360 G CA -0.156 44.901 45.100 -0.070 0.000 0.686 360 G HN 0.524 nan 8.290 nan 0.000 0.515 361 G N -0.536 108.146 108.800 -0.197 0.000 2.544 361 G HA2 0.804 4.764 3.960 -0.000 0.000 0.313 361 G HA3 0.804 4.764 3.960 -0.000 0.000 0.313 361 G C 0.353 175.321 174.900 0.113 0.000 1.316 361 G CA 0.438 45.471 45.100 -0.111 0.000 0.944 361 G HN 1.033 nan 8.290 nan 0.000 0.489 362 G N 1.659 110.586 108.800 0.212 0.000 2.671 362 G HA2 0.617 4.577 3.960 -0.000 0.000 0.275 362 G HA3 0.617 4.577 3.960 -0.000 0.000 0.275 362 G C -1.311 173.722 174.900 0.221 0.000 1.368 362 G CA -1.229 44.011 45.100 0.235 0.000 1.044 362 G HN 0.331 nan 8.290 nan 0.000 0.543 363 P HA -0.119 nan 4.420 nan 0.000 0.216 363 P C 1.989 179.368 177.300 0.131 0.000 1.153 363 P CA 2.418 65.603 63.100 0.141 0.000 0.858 363 P CB 0.126 31.918 31.700 0.153 0.000 0.789 364 A N -1.342 121.562 122.820 0.139 0.000 1.929 364 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 364 A C 2.366 180.025 177.584 0.126 0.000 1.176 364 A CA 1.452 53.557 52.037 0.114 0.000 0.628 364 A CB -1.709 17.349 19.000 0.095 0.000 0.816 364 A HN 0.207 nan 8.150 nan 0.000 0.444 365 C N -0.701 118.693 119.300 0.157 0.000 2.411 365 C HA -0.063 4.397 4.460 -0.000 0.000 0.279 365 C C 2.320 177.516 174.990 0.342 0.000 1.288 365 C CA 0.976 60.108 59.018 0.190 0.000 1.764 365 C CB -1.404 26.409 27.740 0.121 0.000 1.974 365 C HN 0.599 nan 8.230 nan 0.000 0.498 366 L N 0.488 121.901 121.223 0.317 0.000 2.599 366 L HA 0.054 4.394 4.340 -0.000 0.000 0.230 366 L C 0.801 177.755 176.870 0.140 0.000 1.141 366 L CA 0.374 55.354 54.840 0.232 0.000 0.877 366 L CB -0.382 41.771 42.059 0.157 0.000 1.009 366 L HN 0.480 nan 8.230 nan 0.000 0.447 367 R N -0.149 120.433 120.500 0.137 0.000 2.725 367 R HA 0.655 4.995 4.340 -0.000 0.000 0.277 367 R C -1.442 174.934 176.300 0.126 0.000 0.987 367 R CA -0.736 55.437 56.100 0.121 0.000 0.901 367 R CB 1.373 31.728 30.300 0.091 0.000 1.207 367 R HN -0.143 nan 8.270 nan 0.000 0.463 368 L N 1.794 123.112 121.223 0.158 0.000 2.343 368 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 368 L C -0.830 176.145 176.870 0.174 0.000 0.996 368 L CA -0.578 54.342 54.840 0.132 0.000 0.831 368 L CB 1.583 43.702 42.059 0.101 0.000 1.232 368 L HN 0.695 nan 8.230 nan 0.000 0.413 369 R N 4.154 124.726 120.500 0.120 0.000 2.267 369 R HA 0.584 4.924 4.340 -0.000 0.000 0.319 369 R C -1.127 175.233 176.300 0.101 0.000 1.067 369 R CA -0.440 55.733 56.100 0.121 0.000 0.936 369 R CB 1.049 31.396 30.300 0.079 0.000 1.006 369 R HN 0.465 nan 8.270 nan 0.000 0.452 370 V N 4.490 124.502 119.914 0.164 0.000 2.380 370 V HA 0.157 4.277 4.120 -0.000 0.000 0.286 370 V C -0.035 176.148 176.094 0.148 0.000 1.015 370 V CA -0.927 61.446 62.300 0.121 0.000 0.834 370 V CB 1.707 33.593 31.823 0.105 0.000 1.009 370 V HN 0.479 nan 8.190 nan 0.000 0.428 371 V N 7.111 127.074 119.914 0.082 0.000 2.470 371 V HA 0.331 4.451 4.120 -0.000 0.000 0.276 371 V C 0.003 176.183 176.094 0.143 0.000 1.040 371 V CA 0.242 62.586 62.300 0.072 0.000 1.008 371 V CB 0.841 32.706 31.823 0.069 0.000 0.990 371 V HN 0.628 nan 8.190 nan 0.000 0.477 372 L N 4.831 126.154 121.223 0.167 0.000 2.408 372 L HA 0.555 4.895 4.340 -0.000 0.000 0.268 372 L C 0.530 177.446 176.870 0.078 0.000 0.986 372 L CA -0.605 54.340 54.840 0.175 0.000 0.820 372 L CB 2.558 44.773 42.059 0.260 0.000 1.303 372 L HN 0.715 nan 8.230 nan 0.000 0.411 373 T N -2.956 111.623 114.554 0.041 0.000 2.726 373 T HA 0.075 4.425 4.350 -0.000 0.000 0.294 373 T C 0.906 175.530 174.700 -0.128 0.000 1.013 373 T CA -0.322 61.747 62.100 -0.052 0.000 0.996 373 T CB 1.238 70.085 68.868 -0.034 0.000 1.016 373 T HN 0.789 nan 8.240 nan 0.000 0.529 374 E N -0.197 119.869 120.200 -0.224 0.000 2.110 374 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 374 E C 1.993 178.514 176.600 -0.131 0.000 0.988 374 E CA 0.993 57.233 56.400 -0.267 0.000 0.804 374 E CB 0.010 29.540 29.700 -0.284 0.000 0.745 374 E HN 0.687 nan 8.360 nan 0.000 0.458 375 E N 0.447 120.594 120.200 -0.089 0.000 2.106 375 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 375 E C 1.858 178.445 176.600 -0.022 0.000 0.984 375 E CA 0.987 57.353 56.400 -0.056 0.000 0.806 375 E CB 0.080 29.742 29.700 -0.063 0.000 0.750 375 E HN 0.391 nan 8.360 nan 0.000 0.458 376 E N 0.049 120.250 120.200 0.001 0.000 2.107 376 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 376 E C 2.203 178.961 176.600 0.264 0.000 0.982 376 E CA 0.521 56.983 56.400 0.103 0.000 0.809 376 E CB -0.018 29.764 29.700 0.137 0.000 0.756 376 E HN 0.007 nan 8.360 nan 0.000 0.459 377 R N 0.576 121.161 120.500 0.141 0.000 2.096 377 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 377 R C 2.231 178.596 176.300 0.108 0.000 1.127 377 R CA 1.107 57.286 56.100 0.132 0.000 0.968 377 R CB 0.128 30.439 30.300 0.019 0.000 0.861 377 R HN -0.014 nan 8.270 nan 0.000 0.440 378 R N -0.564 119.973 120.500 0.061 0.000 2.115 378 R HA -0.013 4.327 4.340 -0.000 0.000 0.230 378 R C 1.947 178.294 176.300 0.079 0.000 1.111 378 R CA 1.229 57.356 56.100 0.044 0.000 0.976 378 R CB -0.260 30.045 30.300 0.008 0.000 0.870 378 R HN 0.225 nan 8.270 nan 0.000 0.445 379 A N 0.890 123.795 122.820 0.142 0.000 2.119 379 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 379 A C 1.115 178.871 177.584 0.286 0.000 1.152 379 A CA 0.178 52.338 52.037 0.205 0.000 0.708 379 A CB 0.077 19.184 19.000 0.179 0.000 0.805 379 A HN -0.007 nan 8.150 nan 0.000 0.460 380 V N 1.840 121.888 119.914 0.224 0.000 2.715 380 V HA -0.005 4.115 4.120 -0.000 0.000 0.299 380 V C 0.718 176.777 176.094 -0.059 0.000 1.054 380 V CA -0.657 61.634 62.300 -0.015 0.000 1.077 380 V CB 0.537 32.326 31.823 -0.058 0.000 0.972 380 V HN 0.571 nan 8.190 nan 0.000 0.484 381 N N 5.974 124.583 118.700 -0.153 0.000 2.386 381 N HA -0.011 4.729 4.740 -0.000 0.000 0.273 381 N C -1.585 173.874 175.510 -0.086 0.000 1.331 381 N CA -0.983 52.000 53.050 -0.112 0.000 0.891 381 N CB 1.169 39.562 38.487 -0.156 0.000 1.139 381 N HN 0.352 nan 8.380 nan 0.000 0.487 382 P HA -0.087 nan 4.420 nan 0.000 0.219 382 P C 0.663 177.933 177.300 -0.049 0.000 1.146 382 P CA 1.043 64.120 63.100 -0.039 0.000 0.808 382 P CB 0.149 31.836 31.700 -0.022 0.000 0.779 383 A N -0.830 121.955 122.820 -0.059 0.000 2.172 383 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 383 A C 1.191 178.731 177.584 -0.073 0.000 1.154 383 A CA 0.904 52.904 52.037 -0.062 0.000 0.701 383 A CB -1.164 17.796 19.000 -0.066 0.000 0.789 383 A HN 0.208 nan 8.150 nan 0.000 0.465 388 D N -0.433 119.992 120.400 0.042 0.000 2.133 388 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 388 D C 1.139 177.519 176.300 0.133 0.000 0.997 388 D CA 2.367 56.422 54.000 0.092 0.000 0.840 388 D CB -0.378 40.453 40.800 0.052 0.000 0.947 388 D HN 0.665 nan 8.370 nan 0.000 0.452 389 T N 0.584 115.185 114.554 0.078 0.000 2.708 389 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 389 T C 1.832 176.569 174.700 0.062 0.000 1.037 389 T CA 0.672 62.808 62.100 0.061 0.000 1.146 389 T CB -0.375 68.513 68.868 0.033 0.000 0.865 389 T HN 0.041 nan 8.240 nan 0.000 0.435 390 L N 0.694 121.953 121.223 0.060 0.000 2.056 390 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 390 L C 2.027 178.941 176.870 0.074 0.000 1.078 390 L CA 1.530 56.394 54.840 0.040 0.000 0.749 390 L CB -1.035 41.036 42.059 0.021 0.000 0.901 390 L HN 0.226 nan 8.230 nan 0.000 0.433 391 F N 0.677 120.615 119.950 -0.021 0.000 2.095 391 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 391 F C 2.336 178.137 175.800 0.002 0.000 1.104 391 F CA 2.084 60.076 58.000 -0.014 0.000 1.232 391 F CB -0.480 38.512 39.000 -0.013 0.000 0.987 391 F HN 0.260 nan 8.300 nan 0.000 0.475 392 N N 0.545 119.259 118.700 0.023 0.000 2.188 392 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 392 N C 1.998 177.463 175.510 -0.075 0.000 1.018 392 N CA 1.263 54.270 53.050 -0.071 0.000 0.858 392 N CB -0.660 37.857 38.487 0.049 0.000 0.989 392 N HN 0.428 nan 8.380 nan 0.000 0.426 393 A N 1.462 124.267 122.820 -0.026 0.000 1.873 393 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 393 A C 2.384 179.979 177.584 0.017 0.000 1.186 393 A CA 0.823 52.861 52.037 0.002 0.000 0.616 393 A CB -0.678 18.321 19.000 -0.002 0.000 0.823 393 A HN 0.170 nan 8.150 nan 0.000 0.442 394 L N -0.308 120.890 121.223 -0.041 0.000 2.056 394 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 394 L C 2.289 179.167 176.870 0.014 0.000 1.078 394 L CA 1.118 55.961 54.840 0.003 0.000 0.749 394 L CB -0.663 41.356 42.059 -0.066 0.000 0.901 394 L HN 0.385 nan 8.230 nan 0.000 0.433 395 N N 0.102 118.683 118.700 -0.198 0.000 2.166 395 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 395 N C 1.393 176.850 175.510 -0.088 0.000 1.019 395 N CA 1.343 54.254 53.050 -0.231 0.000 0.856 395 N CB -0.239 37.993 38.487 -0.425 0.000 0.993 395 N HN 0.331 nan 8.380 nan 0.000 0.426 396 D N -0.317 120.068 120.400 -0.025 0.000 2.117 396 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 396 D C 1.706 178.069 176.300 0.106 0.000 0.982 396 D CA 0.449 54.462 54.000 0.023 0.000 0.828 396 D CB -0.499 40.324 40.800 0.039 0.000 0.967 396 D HN 0.339 nan 8.370 nan 0.000 0.464 397 W N 1.772 123.074 121.300 0.002 0.000 2.335 397 W HA -0.234 4.426 4.660 -0.000 0.000 0.311 397 W C 2.052 178.674 176.519 0.172 0.000 1.213 397 W CA 1.402 58.827 57.345 0.134 0.000 1.274 397 W CB -0.459 29.072 29.460 0.119 0.000 1.148 397 W HN -0.215 nan 8.180 nan 0.000 0.498 398 V N 0.997 120.936 119.914 0.043 0.000 2.295 398 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 398 V C 2.100 178.100 176.094 -0.157 0.000 1.049 398 V CA 2.415 64.529 62.300 -0.310 0.000 1.024 398 V CB -1.024 30.538 31.823 -0.435 0.000 0.648 398 V HN 0.100 nan 8.190 nan 0.000 0.447 399 D N -0.347 119.988 120.400 -0.110 0.000 2.218 399 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 399 D C 2.401 178.630 176.300 -0.118 0.000 0.976 399 D CA 1.080 55.025 54.000 -0.090 0.000 0.853 399 D CB -0.101 40.653 40.800 -0.077 0.000 0.939 399 D HN 0.426 nan 8.370 nan 0.000 0.481 400 R N -0.761 119.630 120.500 -0.181 0.000 2.062 400 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 400 R C 1.791 177.797 176.300 -0.491 0.000 1.125 400 R CA 0.909 56.782 56.100 -0.378 0.000 0.966 400 R CB -0.037 29.925 30.300 -0.563 0.000 0.861 400 R HN 0.294 nan 8.270 nan 0.000 0.433 401 Y N -2.063 118.112 120.300 -0.209 0.000 2.507 401 Y HA 0.152 4.702 4.550 -0.000 0.000 0.263 401 Y C 0.042 175.823 175.900 -0.198 0.000 1.093 401 Y CA -0.435 57.518 58.100 -0.245 0.000 1.285 401 Y CB 0.316 38.506 38.460 -0.449 0.000 1.115 401 Y HN -0.114 nan 8.280 nan 0.000 0.533 402 Y N 1.874 122.064 120.300 -0.183 0.000 2.319 402 Y HA 0.331 4.881 4.550 0.000 0.000 0.328 402 Y C 0.560 176.400 175.900 -0.101 0.000 1.133 402 Y CA -1.302 56.710 58.100 -0.146 0.000 1.265 402 Y CB 0.469 38.838 38.460 -0.151 0.000 1.218 402 Y HN -0.125 nan 8.280 nan 0.000 0.508 403 R N 1.696 122.199 120.500 0.005 0.000 2.500 403 R HA 0.171 4.511 4.340 -0.000 0.000 0.275 403 R C -0.277 176.042 176.300 0.032 0.000 1.051 403 R CA -0.484 55.613 56.100 -0.006 0.000 1.088 403 R CB 0.637 30.910 30.300 -0.045 0.000 1.063 403 R HN 0.670 nan 8.270 nan 0.000 0.511 404 D N 0.199 120.610 120.400 0.019 0.000 2.333 404 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 404 D C -0.070 176.247 176.300 0.029 0.000 0.984 404 D CA 0.780 54.797 54.000 0.028 0.000 0.873 404 D CB 0.390 41.201 40.800 0.018 0.000 0.935 404 D HN 0.111 nan 8.370 nan 0.000 0.521 405 R N 0.216 120.724 120.500 0.013 0.000 2.621 405 R HA 0.693 5.033 4.340 -0.000 0.000 0.284 405 R C -1.762 174.531 176.300 -0.012 0.000 0.998 405 R CA -0.906 55.201 56.100 0.012 0.000 0.895 405 R CB 2.352 32.661 30.300 0.016 0.000 1.195 405 R HN -0.067 nan 8.270 nan 0.000 0.450 406 L N 0.905 122.115 121.223 -0.021 0.000 2.545 406 L HA 0.538 4.878 4.340 -0.000 0.000 0.258 406 L C -1.172 175.670 176.870 -0.046 0.000 0.942 406 L CA -0.083 54.726 54.840 -0.051 0.000 0.855 406 L CB 2.595 44.608 42.059 -0.077 0.000 1.374 406 L HN 0.858 nan 8.230 nan 0.000 0.411 407 T N 0.474 114.996 114.554 -0.053 0.000 2.883 407 T HA 0.704 5.054 4.350 -0.000 0.000 0.296 407 T C 0.798 175.442 174.700 -0.092 0.000 1.117 407 T CA -0.126 61.956 62.100 -0.030 0.000 1.006 407 T CB 1.552 70.421 68.868 0.001 0.000 1.191 407 T HN 0.855 nan 8.240 nan 0.000 0.508 408 A N 0.835 123.610 122.820 -0.075 0.000 1.978 408 A HA 0.200 4.520 4.320 -0.000 0.000 0.220 408 A C 2.510 180.016 177.584 -0.130 0.000 1.170 408 A CA 2.127 54.068 52.037 -0.160 0.000 0.636 408 A CB -1.478 17.494 19.000 -0.048 0.000 0.810 408 A HN 1.432 nan 8.150 nan 0.000 0.448 409 A N -0.064 122.712 122.820 -0.073 0.000 2.019 409 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 409 A C 1.556 179.095 177.584 -0.075 0.000 1.164 409 A CA 1.604 53.605 52.037 -0.060 0.000 0.644 409 A CB -0.402 18.577 19.000 -0.035 0.000 0.805 409 A HN 0.510 nan 8.150 nan 0.000 0.449 410 D N -0.005 120.340 120.400 -0.091 0.000 2.347 410 D HA -0.008 4.632 4.640 -0.000 0.000 0.215 410 D C 1.621 177.852 176.300 -0.115 0.000 0.976 410 D CA 0.431 54.376 54.000 -0.093 0.000 0.884 410 D CB -0.148 40.597 40.800 -0.090 0.000 0.915 410 D HN 0.478 nan 8.370 nan 0.000 0.526 411 L N 0.654 121.789 121.223 -0.147 0.000 2.353 411 L HA -0.076 4.264 4.340 -0.000 0.000 0.220 411 L C 2.267 179.070 176.870 -0.112 0.000 1.133 411 L CA 0.574 55.322 54.840 -0.154 0.000 0.798 411 L CB -0.250 41.685 42.059 -0.208 0.000 0.922 411 L HN -0.030 nan 8.230 nan 0.000 0.445 412 A N -1.582 121.182 122.820 -0.094 0.000 2.178 412 A HA -0.060 4.260 4.320 -0.000 0.000 0.211 412 A C 0.776 178.317 177.584 -0.071 0.000 1.157 412 A CA -0.016 51.973 52.037 -0.079 0.000 0.780 412 A CB -0.213 18.747 19.000 -0.066 0.000 0.828 412 A HN 0.216 nan 8.150 nan 0.000 0.476 413 D N 0.930 121.285 120.400 -0.074 0.000 2.382 413 D HA 0.106 4.746 4.640 -0.000 0.000 0.259 413 D C -1.243 175.015 176.300 -0.071 0.000 1.224 413 D CA -1.871 52.089 54.000 -0.067 0.000 0.894 413 D CB 1.186 41.946 40.800 -0.067 0.000 1.127 413 D HN 0.137 nan 8.370 nan 0.000 0.487 414 P HA -0.191 nan 4.420 nan 0.000 0.220 414 P C 1.260 178.520 177.300 -0.068 0.000 1.148 414 P CA 0.956 64.018 63.100 -0.064 0.000 0.803 414 P CB 0.420 32.090 31.700 -0.050 0.000 0.782 415 Q N -0.469 119.294 119.800 -0.061 0.000 2.119 415 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 415 Q C 2.201 178.156 176.000 -0.075 0.000 0.972 415 Q CA 0.836 56.603 55.803 -0.059 0.000 0.847 415 Q CB -0.570 28.138 28.738 -0.050 0.000 0.903 415 Q HN 0.077 nan 8.270 nan 0.000 0.433 416 L N 0.358 121.530 121.223 -0.087 0.000 2.046 416 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 416 L C 2.044 178.837 176.870 -0.128 0.000 1.077 416 L CA 1.410 56.185 54.840 -0.108 0.000 0.747 416 L CB -0.728 41.263 42.059 -0.113 0.000 0.896 416 L HN 0.404 nan 8.230 nan 0.000 0.432 417 L N -0.094 121.056 121.223 -0.122 0.000 2.012 417 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 417 L C 2.662 179.430 176.870 -0.170 0.000 1.073 417 L CA 1.820 56.573 54.840 -0.145 0.000 0.748 417 L CB -0.729 41.255 42.059 -0.125 0.000 0.891 417 L HN 0.278 nan 8.230 nan 0.000 0.431 418 R N -0.324 120.099 120.500 -0.129 0.000 2.096 418 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 418 R C 2.095 178.328 176.300 -0.111 0.000 1.127 418 R CA 1.702 57.733 56.100 -0.115 0.000 0.968 418 R CB -0.529 29.731 30.300 -0.068 0.000 0.861 418 R HN 0.576 nan 8.270 nan 0.000 0.440 419 E N 0.095 120.240 120.200 -0.092 0.000 2.051 419 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 419 E C 2.181 178.687 176.600 -0.157 0.000 0.991 419 E CA 1.162 57.529 56.400 -0.055 0.000 0.799 419 E CB -0.239 29.433 29.700 -0.046 0.000 0.748 419 E HN 0.492 nan 8.360 nan 0.000 0.449 420 G N 1.316 109.985 108.800 -0.218 0.000 2.422 420 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 420 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 420 G C 1.621 176.317 174.900 -0.340 0.000 1.146 420 G CA 0.254 45.185 45.100 -0.282 0.000 0.769 420 G HN 0.001 nan 8.290 nan 0.000 0.547 421 R N 0.415 120.673 120.500 -0.404 0.000 2.066 421 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 421 R C 2.316 178.455 176.300 -0.269 0.000 1.131 421 R CA 1.258 56.979 56.100 -0.632 0.000 0.955 421 R CB -0.898 29.022 30.300 -0.632 0.000 0.851 421 R HN 0.591 nan 8.270 nan 0.000 0.432 422 E N 0.577 120.682 120.200 -0.159 0.000 2.051 422 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 422 E C 1.890 178.386 176.600 -0.174 0.000 0.991 422 E CA 1.175 57.545 56.400 -0.050 0.000 0.799 422 E CB -0.009 29.716 29.700 0.042 0.000 0.748 422 E HN 0.262 nan 8.360 nan 0.000 0.449 423 A N 1.371 123.888 122.820 -0.505 0.000 1.873 423 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 423 A C 2.256 179.904 177.584 0.107 0.000 1.193 423 A CA 1.485 53.097 52.037 -0.710 0.000 0.629 423 A CB -0.844 17.639 19.000 -0.862 0.000 0.826 423 A HN 0.352 nan 8.150 nan 0.000 0.447 424 L N -0.866 120.406 121.223 0.082 0.000 2.141 424 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 424 L C 2.345 179.388 176.870 0.289 0.000 1.094 424 L CA 1.481 56.428 54.840 0.178 0.000 0.763 424 L CB -0.538 41.494 42.059 -0.044 0.000 0.908 424 L HN 0.410 nan 8.230 nan 0.000 0.437 425 D N -0.196 120.394 120.400 0.316 0.000 2.117 425 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 425 D C 2.206 178.603 176.300 0.162 0.000 0.982 425 D CA 1.009 55.174 54.000 0.274 0.000 0.828 425 D CB 0.271 41.239 40.800 0.281 0.000 0.967 425 D HN 0.048 nan 8.370 nan 0.000 0.464 426 V N 0.966 120.973 119.914 0.154 0.000 2.358 426 V HA -0.200 3.919 4.120 -0.000 0.000 0.246 426 V C 2.577 178.694 176.094 0.039 0.000 1.047 426 V CA 0.995 63.383 62.300 0.146 0.000 1.035 426 V CB -0.361 31.625 31.823 0.272 0.000 0.658 426 V HN 0.187 nan 8.190 nan 0.000 0.452 427 L N 1.103 122.303 121.223 -0.039 0.000 2.083 427 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 427 L C 2.704 179.487 176.870 -0.145 0.000 1.083 427 L CA 2.420 57.053 54.840 -0.344 0.000 0.752 427 L CB -0.696 41.015 42.059 -0.580 0.000 0.899 427 L HN 0.514 nan 8.230 nan 0.000 0.433 428 S N -1.755 113.954 115.700 0.014 0.000 2.419 428 S HA -0.239 4.231 4.470 -0.000 0.000 0.233 428 S C 1.855 176.433 174.600 -0.036 0.000 1.016 428 S CA 1.249 59.454 58.200 0.009 0.000 0.974 428 S CB -0.474 62.767 63.200 0.069 0.000 0.786 428 S HN 0.664 nan 8.310 nan 0.000 0.492 429 Q N 0.470 120.258 119.800 -0.020 0.000 2.062 429 Q HA 0.237 4.577 4.340 -0.000 0.000 0.196 429 Q C 2.293 178.267 176.000 -0.044 0.000 0.967 429 Q CA 1.082 56.873 55.803 -0.020 0.000 0.832 429 Q CB -0.304 28.441 28.738 0.011 0.000 0.899 429 Q HN 0.493 nan 8.270 nan 0.000 0.442 430 L N 0.573 121.754 121.223 -0.069 0.000 2.042 430 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 430 L C 1.531 178.341 176.870 -0.100 0.000 1.076 430 L CA 1.268 56.054 54.840 -0.090 0.000 0.749 430 L CB 0.005 41.974 42.059 -0.151 0.000 0.893 430 L HN 0.303 nan 8.230 nan 0.000 0.432 431 L N -0.396 120.754 121.223 -0.122 0.000 2.611 431 L HA 0.046 4.386 4.340 -0.000 0.000 0.229 431 L C 0.512 177.325 176.870 -0.094 0.000 1.137 431 L CA -0.096 54.676 54.840 -0.113 0.000 0.901 431 L CB -0.569 41.412 42.059 -0.130 0.000 1.098 431 L HN 0.420 nan 8.230 nan 0.000 0.456 432 N N 0.781 119.434 118.700 -0.079 0.000 2.714 432 N HA -0.224 4.516 4.740 -0.000 0.000 0.253 432 N C 0.236 175.695 175.510 -0.085 0.000 1.024 432 N CA 0.473 53.482 53.050 -0.069 0.000 0.726 432 N CB -0.970 37.481 38.487 -0.059 0.000 0.908 432 N HN 0.372 nan 8.380 nan 0.000 0.542 433 L N -0.768 120.395 121.223 -0.099 0.000 2.638 433 L HA 0.377 4.717 4.340 -0.000 0.000 0.232 433 L C 1.717 178.507 176.870 -0.132 0.000 1.099 433 L CA 0.245 55.007 54.840 -0.130 0.000 0.883 433 L CB -0.255 41.700 42.059 -0.173 0.000 1.136 433 L HN 0.561 nan 8.230 nan 0.000 0.492 434 G N 0.358 109.098 108.800 -0.101 0.000 2.645 434 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 434 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 434 G C -0.048 174.779 174.900 -0.122 0.000 1.331 434 G CA -0.224 44.820 45.100 -0.094 0.000 0.890 434 G HN 0.106 nan 8.290 nan 0.000 0.572 435 S N 0.140 115.767 115.700 -0.121 0.000 3.900 435 S HA 0.296 4.766 4.470 -0.000 0.000 0.248 435 S C 1.303 175.784 174.600 -0.199 0.000 1.310 435 S CA 0.402 58.510 58.200 -0.154 0.000 0.915 435 S CB 0.890 64.014 63.200 -0.126 0.000 1.588 435 S HN 1.260 nan 8.310 nan 0.000 0.472 436 V N 3.065 122.801 119.914 -0.296 0.000 3.052 436 V HA 0.166 4.286 4.120 -0.000 0.000 0.254 436 V C -0.246 175.580 176.094 -0.446 0.000 1.100 436 V CA 0.811 62.864 62.300 -0.410 0.000 1.112 436 V CB -0.089 31.392 31.823 -0.570 0.000 0.738 436 V HN 0.681 nan 8.190 nan 0.000 0.469 437 Y N 0.130 120.311 120.300 -0.198 0.000 2.376 437 Y HA 0.369 4.919 4.550 -0.000 0.000 0.325 437 Y C -1.149 174.647 175.900 -0.173 0.000 1.199 437 Y CA -2.142 55.864 58.100 -0.157 0.000 1.206 437 Y CB 0.498 38.889 38.460 -0.116 0.000 1.229 437 Y HN -0.016 nan 8.280 nan 0.000 0.480 438 P HA -0.254 nan 4.420 nan 0.000 0.215 438 P C 1.390 178.746 177.300 0.093 0.000 1.157 438 P CA 1.794 64.987 63.100 0.155 0.000 0.874 438 P CB -0.110 31.770 31.700 0.299 0.000 0.790 439 F N -0.062 119.952 119.950 0.107 0.000 2.333 439 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 439 F C 1.585 177.418 175.800 0.054 0.000 1.083 439 F CA 1.022 59.050 58.000 0.046 0.000 1.395 439 F CB -1.574 37.438 39.000 0.019 0.000 1.056 439 F HN -0.052 nan 8.300 nan 0.000 0.529 440 Q N 0.416 119.803 119.800 -0.689 0.000 2.425 440 Q HA 0.163 4.503 4.340 -0.000 0.000 0.204 440 Q C 0.440 176.326 176.000 -0.191 0.000 0.933 440 Q CA 0.155 55.663 55.803 -0.492 0.000 0.939 440 Q CB 0.190 28.587 28.738 -0.568 0.000 1.044 440 Q HN 0.479 nan 8.270 nan 0.000 0.513 441 R N 0.000 120.428 120.500 -0.120 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 441 R CA 0.000 56.065 56.100 -0.058 0.000 0.921 441 R CB 0.000 30.274 30.300 -0.043 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535