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_D 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 0.000 175.497 175.510 -0.022 0.000 1.280 2 N CA 0.000 53.068 53.050 0.030 0.000 0.885 2 N CB 0.000 38.562 38.487 0.125 0.000 1.341 3 A N 0.796 123.683 122.820 0.111 0.000 2.310 3 A HA 0.750 5.070 4.320 -0.001 0.000 0.299 3 A C -1.064 176.776 177.584 0.426 0.000 1.147 3 A CA -0.435 51.685 52.037 0.139 0.000 0.818 3 A CB 0.362 19.469 19.000 0.178 0.000 1.096 3 A HN 0.532 nan 8.150 nan 0.000 0.495 4 W N -0.040 121.335 121.300 0.126 0.000 2.882 4 W HA 0.495 5.154 4.660 -0.001 0.000 0.345 4 W C 0.053 176.519 176.519 -0.088 0.000 1.125 4 W CA -1.132 56.265 57.345 0.087 0.000 1.167 4 W CB 0.950 30.459 29.460 0.081 0.000 1.431 4 W HN 0.799 nan 8.180 nan 0.000 0.543 5 E N 1.374 121.499 120.200 -0.125 0.000 2.167 5 E HA 0.429 4.778 4.350 -0.001 0.000 0.284 5 E C -1.178 175.451 176.600 0.049 0.000 1.016 5 E CA -0.165 56.074 56.400 -0.269 0.000 0.817 5 E CB 1.045 30.302 29.700 -0.738 0.000 1.080 5 E HN 0.187 nan 8.360 nan 0.000 0.397 6 V N 5.189 125.200 119.914 0.161 0.000 2.417 6 V HA 0.242 4.361 4.120 -0.001 0.000 0.291 6 V C -0.105 176.135 176.094 0.243 0.000 1.024 6 V CA -1.108 61.317 62.300 0.207 0.000 0.861 6 V CB 1.513 33.499 31.823 0.273 0.000 0.985 6 V HN 0.661 nan 8.190 nan 0.000 0.436 7 N N 3.637 122.410 118.700 0.122 0.000 2.444 7 N HA 0.446 5.186 4.740 -0.001 0.000 0.271 7 N C -1.077 174.472 175.510 0.066 0.000 1.069 7 N CA -0.080 53.053 53.050 0.140 0.000 0.965 7 N CB 1.205 39.728 38.487 0.061 0.000 1.092 7 N HN 0.454 nan 8.380 nan 0.000 0.476 8 F N 1.019 121.009 119.950 0.066 0.000 2.402 8 F HA 0.275 4.802 4.527 -0.000 0.000 0.355 8 F C 0.491 176.321 175.800 0.049 0.000 1.123 8 F CA -0.831 57.205 58.000 0.060 0.000 1.021 8 F CB 1.110 40.169 39.000 0.099 0.000 1.160 8 F HN 0.236 nan 8.300 nan 0.000 0.451 9 D N 1.193 121.671 120.400 0.130 0.000 2.217 9 D HA 0.495 5.134 4.640 -0.001 0.000 0.248 9 D C 0.140 176.491 176.300 0.084 0.000 1.008 9 D CA -0.238 53.816 54.000 0.088 0.000 0.914 9 D CB 1.590 42.404 40.800 0.024 0.000 1.182 9 D HN 0.633 nan 8.370 nan 0.000 0.451 10 G N 0.902 109.736 108.800 0.057 0.000 2.320 10 G HA2 0.396 4.356 3.960 -0.001 0.000 0.300 10 G HA3 0.396 4.356 3.960 -0.001 0.000 0.300 10 G C -0.623 174.278 174.900 0.002 0.000 1.126 10 G CA -0.427 44.689 45.100 0.028 0.000 0.896 10 G HN 0.363 nan 8.290 nan 0.000 0.436 11 L N 4.777 126.022 121.223 0.038 0.000 2.385 11 L HA 0.278 4.617 4.340 -0.001 0.000 0.281 11 L C 0.519 177.435 176.870 0.077 0.000 1.106 11 L CA -0.230 54.645 54.840 0.058 0.000 0.856 11 L CB 0.782 42.897 42.059 0.093 0.000 1.186 11 L HN 0.281 nan 8.230 nan 0.000 0.453 12 V N 6.016 125.946 119.914 0.025 0.000 2.644 12 V HA 0.124 4.243 4.120 -0.001 0.000 0.305 12 V C 1.406 177.639 176.094 0.232 0.000 1.053 12 V CA 0.620 62.931 62.300 0.020 0.000 1.186 12 V CB -0.125 31.660 31.823 -0.063 0.000 0.895 12 V HN 0.987 nan 8.190 nan 0.000 0.490 13 G N 3.648 112.533 108.800 0.141 0.000 2.599 13 G HA2 0.375 4.335 3.960 -0.001 0.000 0.264 13 G HA3 0.375 4.335 3.960 -0.001 0.000 0.264 13 G C 0.588 175.491 174.900 0.005 0.000 1.200 13 G CA -0.776 44.410 45.100 0.143 0.000 0.896 13 G HN 0.640 nan 8.290 nan 0.000 0.536 14 L N 0.283 121.287 121.223 -0.364 0.000 2.275 14 L HA 0.037 4.377 4.340 -0.001 0.000 0.215 14 L C 2.840 179.543 176.870 -0.278 0.000 1.119 14 L CA 1.948 56.372 54.840 -0.694 0.000 0.790 14 L CB -0.678 40.917 42.059 -0.773 0.000 0.919 14 L HN 0.679 nan 8.230 nan 0.000 0.443 15 T N -4.809 109.674 114.554 -0.118 0.000 3.163 15 T HA 0.058 4.407 4.350 -0.001 0.000 0.252 15 T C 0.665 175.435 174.700 0.117 0.000 1.056 15 T CA -0.456 61.627 62.100 -0.029 0.000 0.947 15 T CB -1.012 67.848 68.868 -0.012 0.000 1.016 15 T HN 0.290 nan 8.240 nan 0.000 0.554 16 H N 3.638 122.701 119.070 -0.013 0.000 3.192 16 H HA 0.170 4.726 4.556 -0.001 0.000 0.295 16 H C 0.378 175.669 175.328 -0.062 0.000 0.943 16 H CA 0.736 56.758 56.048 -0.044 0.000 1.416 16 H CB -0.133 29.593 29.762 -0.059 0.000 1.434 16 H HN 0.660 nan 8.280 nan 0.000 0.565 17 H N 3.044 121.695 119.070 -0.699 0.000 2.948 17 H HA 0.193 4.749 4.556 -0.001 0.000 0.315 17 H C -1.605 173.382 175.328 -0.567 0.000 1.360 17 H CA -1.032 54.573 56.048 -0.738 0.000 1.125 17 H CB 0.267 29.832 29.762 -0.328 0.000 1.844 17 H HN 0.625 nan 8.280 nan 0.000 0.529 18 Y N 0.322 120.576 120.300 -0.076 0.000 2.331 18 Y HA 0.681 5.230 4.550 -0.001 0.000 0.338 18 Y C 0.437 176.369 175.900 0.055 0.000 0.976 18 Y CA -0.514 57.579 58.100 -0.012 0.000 1.137 18 Y CB 1.804 40.368 38.460 0.174 0.000 1.172 18 Y HN 0.873 nan 8.280 nan 0.000 0.478 32 R N -0.266 120.145 120.500 -0.149 0.000 2.507 32 R HA 0.319 4.658 4.340 -0.001 0.000 0.298 32 R C -0.668 175.535 176.300 -0.162 0.000 0.999 32 R CA -0.265 55.728 56.100 -0.178 0.000 1.082 32 R CB 0.202 30.350 30.300 -0.254 0.000 1.246 32 R HN 0.190 nan 8.270 nan 0.000 0.553 33 F N 0.359 120.425 119.950 0.193 0.000 2.384 33 F HA 0.141 4.668 4.527 -0.001 0.000 0.338 33 F C 1.432 177.346 175.800 0.189 0.000 1.103 33 F CA -0.306 57.711 58.000 0.028 0.000 1.157 33 F CB 1.404 40.197 39.000 -0.345 0.000 1.167 33 F HN -0.139 nan 8.300 nan 0.000 0.529 34 Q N 0.867 120.913 119.800 0.409 0.000 2.280 34 Q HA 0.217 4.556 4.340 -0.001 0.000 0.244 34 Q C -0.647 175.552 176.000 0.330 0.000 0.847 34 Q CA 0.167 56.179 55.803 0.348 0.000 0.945 34 Q CB 1.229 30.086 28.738 0.199 0.000 1.115 34 Q HN 0.405 nan 8.270 nan 0.000 0.513 35 V N 2.013 122.121 119.914 0.322 0.000 2.350 35 V HA 0.434 4.554 4.120 -0.001 0.000 0.276 35 V C -0.075 176.127 176.094 0.180 0.000 1.028 35 V CA -0.550 61.861 62.300 0.185 0.000 0.860 35 V CB 1.187 33.087 31.823 0.128 0.000 0.990 35 V HN 0.237 nan 8.190 nan 0.000 0.453 36 S N 3.484 119.167 115.700 -0.029 0.000 2.681 36 S HA 0.542 5.012 4.470 -0.001 0.000 0.299 36 S C -0.333 174.257 174.600 -0.017 0.000 1.113 36 S CA -0.780 57.318 58.200 -0.170 0.000 1.013 36 S CB 1.842 64.576 63.200 -0.776 0.000 1.076 36 S HN 0.606 nan 8.310 nan 0.000 0.534 37 N N 1.238 119.989 118.700 0.085 0.000 2.776 37 N HA 0.407 5.146 4.740 -0.001 0.000 0.245 37 N C -2.381 173.224 175.510 0.157 0.000 1.121 37 N CA -2.234 50.869 53.050 0.089 0.000 0.852 37 N CB 1.216 39.734 38.487 0.051 0.000 1.142 37 N HN 0.235 nan 8.380 nan 0.000 0.514 38 P HA -0.179 nan 4.420 nan 0.000 0.214 38 P C 1.421 178.884 177.300 0.273 0.000 1.163 38 P CA 1.252 64.498 63.100 0.243 0.000 0.889 38 P CB 0.380 32.171 31.700 0.152 0.000 0.790 39 R N -0.420 120.220 120.500 0.232 0.000 2.083 39 R HA -0.177 4.163 4.340 -0.001 0.000 0.237 39 R C 2.109 178.399 176.300 -0.017 0.000 1.137 39 R CA 1.560 57.718 56.100 0.096 0.000 0.951 39 R CB -1.128 29.211 30.300 0.065 0.000 0.851 39 R HN 0.084 nan 8.270 nan 0.000 0.434 40 L N 0.750 121.978 121.223 0.008 0.000 2.093 40 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 40 L C 2.234 179.084 176.870 -0.034 0.000 1.085 40 L CA 1.996 56.828 54.840 -0.012 0.000 0.755 40 L CB -0.683 41.377 42.059 0.003 0.000 0.904 40 L HN 0.267 nan 8.230 nan 0.000 0.435 41 A N -0.381 122.405 122.820 -0.057 0.000 1.877 41 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 41 A C 2.462 179.975 177.584 -0.118 0.000 1.186 41 A CA 1.924 53.868 52.037 -0.155 0.000 0.620 41 A CB -1.150 17.582 19.000 -0.445 0.000 0.822 41 A HN 0.558 nan 8.150 nan 0.000 0.443 42 A N -0.394 122.364 122.820 -0.104 0.000 1.873 42 A HA -0.136 4.184 4.320 -0.001 0.000 0.215 42 A C 2.131 179.656 177.584 -0.099 0.000 1.186 42 A CA 1.748 53.707 52.037 -0.129 0.000 0.616 42 A CB -0.437 18.363 19.000 -0.334 0.000 0.823 42 A HN 0.514 nan 8.150 nan 0.000 0.442 43 K N -0.575 119.767 120.400 -0.098 0.000 2.097 43 K HA -0.181 4.139 4.320 -0.001 0.000 0.206 43 K C 2.335 178.946 176.600 0.019 0.000 1.049 43 K CA 1.636 57.898 56.287 -0.042 0.000 0.933 43 K CB -0.201 32.274 32.500 -0.042 0.000 0.717 43 K HN 0.604 nan 8.250 nan 0.000 0.442 44 Q N -0.470 119.335 119.800 0.008 0.000 2.084 44 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 44 Q C 2.222 178.237 176.000 0.026 0.000 0.978 44 Q CA 1.504 57.329 55.803 0.037 0.000 0.844 44 Q CB -0.183 28.571 28.738 0.027 0.000 0.898 44 Q HN 0.460 nan 8.270 nan 0.000 0.426 45 G N 0.548 109.345 108.800 -0.005 0.000 2.402 45 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.216 45 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.216 45 G C 1.377 176.276 174.900 -0.002 0.000 1.162 45 G CA 0.333 45.420 45.100 -0.021 0.000 0.777 45 G HN 0.167 nan 8.290 nan 0.000 0.539 46 L N -0.081 121.171 121.223 0.048 0.000 2.083 46 L HA 0.017 4.356 4.340 -0.001 0.000 0.209 46 L C 2.894 179.894 176.870 0.217 0.000 1.083 46 L CA 0.467 55.397 54.840 0.149 0.000 0.752 46 L CB -0.315 41.842 42.059 0.164 0.000 0.899 46 L HN 0.187 nan 8.230 nan 0.000 0.433 47 L N -0.558 120.778 121.223 0.187 0.000 2.046 47 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 47 L C 1.909 178.800 176.870 0.035 0.000 1.077 47 L CA 0.962 55.899 54.840 0.162 0.000 0.747 47 L CB -0.449 41.722 42.059 0.187 0.000 0.896 47 L HN 0.215 nan 8.230 nan 0.000 0.432 51 A N 1.890 124.678 122.820 -0.054 0.000 1.883 51 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 51 A C 1.981 179.639 177.584 0.124 0.000 1.186 51 A CA 1.928 54.017 52.037 0.087 0.000 0.624 51 A CB -0.844 18.360 19.000 0.340 0.000 0.822 51 A HN 0.272 nan 8.150 nan 0.000 0.444 52 L N -0.982 120.298 121.223 0.095 0.000 2.046 52 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 52 L C 3.142 180.137 176.870 0.209 0.000 1.077 52 L CA 1.077 56.017 54.840 0.168 0.000 0.747 52 L CB -0.741 41.330 42.059 0.019 0.000 0.896 52 L HN 0.465 nan 8.230 nan 0.000 0.432 53 A N 0.236 123.098 122.820 0.069 0.000 1.865 53 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 53 A C 1.924 179.515 177.584 0.012 0.000 1.191 53 A CA 2.120 54.175 52.037 0.030 0.000 0.623 53 A CB -0.620 18.362 19.000 -0.030 0.000 0.826 53 A HN 0.368 nan 8.150 nan 0.000 0.444 54 D N 0.109 120.503 120.400 -0.009 0.000 2.149 54 D HA -0.063 4.576 4.640 -0.001 0.000 0.198 54 D C 1.947 178.245 176.300 -0.004 0.000 0.990 54 D CA 1.494 55.481 54.000 -0.023 0.000 0.839 54 D CB -0.414 40.361 40.800 -0.041 0.000 0.948 54 D HN 0.454 nan 8.370 nan 0.000 0.460 55 A N -0.425 122.434 122.820 0.065 0.000 2.239 55 A HA 0.346 4.666 4.320 -0.001 0.000 0.209 55 A C 1.783 179.276 177.584 -0.151 0.000 1.171 55 A CA 1.298 53.372 52.037 0.062 0.000 0.768 55 A CB -0.225 18.948 19.000 0.288 0.000 0.790 55 A HN 0.297 nan 8.150 nan 0.000 0.478 56 G N -2.380 106.319 108.800 -0.170 0.000 2.179 56 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.220 56 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.220 56 G C -0.093 174.517 174.900 -0.483 0.000 0.990 56 G CA -0.106 44.780 45.100 -0.357 0.000 0.646 56 G HN 0.354 nan 8.290 nan 0.000 0.517 57 F N 1.869 121.773 119.950 -0.075 0.000 2.390 57 F HA 0.489 5.015 4.527 -0.001 0.000 0.361 57 F C -1.693 174.078 175.800 -0.047 0.000 1.124 57 F CA -2.413 55.547 58.000 -0.065 0.000 1.149 57 F CB 1.169 40.154 39.000 -0.025 0.000 1.160 57 F HN -0.178 nan 8.300 nan 0.000 0.501 58 P HA -0.087 nan 4.420 nan 0.000 0.257 58 P C -0.836 176.498 177.300 0.056 0.000 1.162 58 P CA 0.391 63.562 63.100 0.118 0.000 0.762 58 P CB 0.427 32.276 31.700 0.249 0.000 0.753 59 Q N 2.766 122.550 119.800 -0.026 0.000 2.359 59 Q HA 0.776 5.116 4.340 -0.001 0.000 0.274 59 Q C -1.621 174.225 176.000 -0.257 0.000 1.074 59 Q CA -0.785 54.949 55.803 -0.115 0.000 0.810 59 Q CB 2.057 30.761 28.738 -0.057 0.000 1.342 59 Q HN 0.455 nan 8.270 nan 0.000 0.427 60 A N 1.867 124.426 122.820 -0.435 0.000 2.552 60 A HA 0.911 5.231 4.320 -0.001 0.000 0.288 60 A C -1.630 175.759 177.584 -0.325 0.000 1.193 60 A CA -0.373 51.325 52.037 -0.566 0.000 0.713 60 A CB 1.591 19.773 19.000 -1.364 0.000 1.305 60 A HN 0.763 nan 8.150 nan 0.000 0.424 61 V N -0.097 119.709 119.914 -0.180 0.000 3.007 61 V HA 0.737 4.857 4.120 -0.001 0.000 0.311 61 V C -1.598 174.551 176.094 0.093 0.000 1.120 61 V CA -0.688 61.606 62.300 -0.011 0.000 0.980 61 V CB 1.860 33.669 31.823 -0.023 0.000 1.033 61 V HN 0.729 nan 8.190 nan 0.000 0.429 62 I N 6.838 127.480 120.570 0.120 0.000 2.466 62 I HA 0.473 4.642 4.170 -0.001 0.000 0.289 62 I C -2.384 173.795 176.117 0.104 0.000 1.026 62 I CA -1.904 59.475 61.300 0.131 0.000 1.078 62 I CB 2.609 40.712 38.000 0.171 0.000 1.249 62 I HN 0.527 nan 8.210 nan 0.000 0.429 63 P HA 0.252 nan 4.420 nan 0.000 0.274 63 P C -2.680 174.775 177.300 0.258 0.000 1.246 63 P CA -1.252 61.935 63.100 0.145 0.000 0.795 63 P CB 0.095 31.876 31.700 0.134 0.000 1.006 64 P HA 0.184 nan 4.420 nan 0.000 0.277 64 P C -0.204 177.377 177.300 0.468 0.000 1.276 64 P CA 0.027 63.303 63.100 0.293 0.000 0.788 64 P CB 0.777 32.625 31.700 0.247 0.000 1.114 65 H N -1.792 117.341 119.070 0.106 0.000 2.630 65 H HA 0.225 4.781 4.556 -0.001 0.000 0.343 65 H C 0.019 175.332 175.328 -0.025 0.000 1.232 65 H CA -0.857 55.260 56.048 0.114 0.000 1.294 65 H CB 1.225 31.013 29.762 0.043 0.000 1.746 65 H HN 0.462 nan 8.280 nan 0.000 0.593 66 E N 1.925 122.208 120.200 0.138 0.000 2.292 66 E HA 0.007 4.357 4.350 -0.001 0.000 0.265 66 E C -0.717 176.004 176.600 0.202 0.000 1.093 66 E CA -0.159 56.319 56.400 0.130 0.000 0.922 66 E CB 0.205 30.148 29.700 0.405 0.000 1.001 66 E HN 0.292 nan 8.360 nan 0.000 0.444 67 R N 4.679 125.216 120.500 0.061 0.000 2.564 67 R HA 0.352 4.691 4.340 -0.001 0.000 0.284 67 R C -2.660 173.625 176.300 -0.024 0.000 1.031 67 R CA -2.172 53.968 56.100 0.066 0.000 0.904 67 R CB 1.385 31.713 30.300 0.047 0.000 1.199 67 R HN 0.468 nan 8.270 nan 0.000 0.443 68 P HA 0.078 nan 4.420 nan 0.000 0.269 68 P C -0.586 176.807 177.300 0.153 0.000 1.215 68 P CA -0.204 62.934 63.100 0.063 0.000 0.780 68 P CB 0.347 32.052 31.700 0.008 0.000 0.898 69 F N 3.495 123.461 119.950 0.026 0.000 2.384 69 F HA 0.185 4.712 4.527 -0.001 0.000 0.359 69 F C 1.126 176.950 175.800 0.041 0.000 1.143 69 F CA -0.367 57.660 58.000 0.044 0.000 1.216 69 F CB -0.325 38.715 39.000 0.067 0.000 1.512 69 F HN 0.154 nan 8.300 nan 0.000 0.573 70 I N 5.757 126.232 120.570 -0.158 0.000 2.264 70 I HA -0.180 3.990 4.170 -0.001 0.000 0.248 70 I C -0.450 175.528 176.117 -0.232 0.000 1.111 70 I CA 1.069 62.274 61.300 -0.159 0.000 1.382 70 I CB -2.074 35.846 38.000 -0.132 0.000 1.060 70 I HN 0.352 nan 8.210 nan 0.000 0.418 71 P HA -0.152 nan 4.420 nan 0.000 0.216 71 P C 2.220 179.417 177.300 -0.173 0.000 1.150 71 P CA 1.138 64.013 63.100 -0.374 0.000 0.843 71 P CB 0.032 31.364 31.700 -0.614 0.000 0.787 72 V N -0.994 118.866 119.914 -0.090 0.000 2.719 72 V HA -0.134 3.986 4.120 -0.001 0.000 0.252 72 V C 2.000 178.129 176.094 0.059 0.000 1.065 72 V CA 1.275 63.640 62.300 0.109 0.000 1.086 72 V CB -0.934 31.079 31.823 0.317 0.000 0.700 72 V HN 0.013 nan 8.190 nan 0.000 0.467 73 L N -0.519 120.726 121.223 0.036 0.000 2.093 73 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 73 L C 2.752 179.702 176.870 0.133 0.000 1.085 73 L CA 1.587 56.466 54.840 0.065 0.000 0.755 73 L CB -0.537 41.527 42.059 0.009 0.000 0.904 73 L HN 0.246 nan 8.230 nan 0.000 0.435 74 R N -0.272 120.254 120.500 0.044 0.000 2.092 74 R HA -0.143 4.197 4.340 -0.001 0.000 0.231 74 R C 2.259 178.551 176.300 -0.013 0.000 1.119 74 R CA 1.079 57.193 56.100 0.025 0.000 0.970 74 R CB -0.232 30.060 30.300 -0.013 0.000 0.864 74 R HN 0.475 nan 8.270 nan 0.000 0.440 75 Q N 0.444 120.235 119.800 -0.014 0.000 2.226 75 Q HA -0.094 4.246 4.340 -0.001 0.000 0.204 75 Q C 1.685 177.642 176.000 -0.072 0.000 0.975 75 Q CA 0.952 56.741 55.803 -0.023 0.000 0.866 75 Q CB 0.031 28.779 28.738 0.017 0.000 0.915 75 Q HN 0.371 nan 8.270 nan 0.000 0.440 76 L N -0.876 120.284 121.223 -0.104 0.000 2.591 76 L HA 0.128 4.468 4.340 -0.001 0.000 0.228 76 L C 1.078 177.732 176.870 -0.360 0.000 1.133 76 L CA 0.453 55.157 54.840 -0.226 0.000 0.880 76 L CB 0.117 41.963 42.059 -0.355 0.000 1.033 76 L HN 0.426 nan 8.230 nan 0.000 0.450 77 G N -0.624 107.995 108.800 -0.301 0.000 2.184 77 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.206 77 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.206 77 G C 0.037 174.642 174.900 -0.491 0.000 0.995 77 G CA -0.667 44.185 45.100 -0.414 0.000 0.651 77 G HN 0.158 nan 8.290 nan 0.000 0.511 78 F N 2.940 122.846 119.950 -0.075 0.000 2.411 78 F HA 0.617 5.144 4.527 -0.001 0.000 0.355 78 F C 1.037 176.808 175.800 -0.048 0.000 1.117 78 F CA -0.068 57.899 58.000 -0.055 0.000 1.139 78 F CB 1.584 40.549 39.000 -0.059 0.000 1.120 78 F HN 0.241 nan 8.300 nan 0.000 0.493 79 S N 1.783 117.539 115.700 0.094 0.000 2.747 79 S HA 1.000 5.470 4.470 -0.001 0.000 0.300 79 S C 0.079 174.707 174.600 0.047 0.000 1.121 79 S CA -0.191 58.037 58.200 0.046 0.000 0.995 79 S CB 1.831 65.036 63.200 0.008 0.000 1.113 79 S HN 1.364 nan 8.310 nan 0.000 0.547 80 G N 0.662 109.475 108.800 0.023 0.000 2.342 80 G HA2 0.185 4.145 3.960 -0.001 0.000 0.220 80 G HA3 0.185 4.145 3.960 -0.001 0.000 0.220 80 G C -0.274 174.629 174.900 0.005 0.000 1.243 80 G CA -0.335 44.774 45.100 0.015 0.000 1.083 80 G HN 1.888 nan 8.290 nan 0.000 0.500 81 S N -0.160 115.540 115.700 -0.000 0.000 2.669 81 S HA 0.523 4.993 4.470 -0.001 0.000 0.270 81 S C 0.897 175.487 174.600 -0.017 0.000 1.225 81 S CA 0.586 58.781 58.200 -0.009 0.000 0.991 81 S CB 1.523 64.717 63.200 -0.010 0.000 0.987 81 S HN 0.566 nan 8.310 nan 0.000 0.552 82 D N 0.968 121.352 120.400 -0.027 0.000 2.133 82 D HA -0.138 4.502 4.640 -0.001 0.000 0.195 82 D C 1.722 177.995 176.300 -0.046 0.000 0.997 82 D CA 1.709 55.683 54.000 -0.042 0.000 0.840 82 D CB -0.233 40.535 40.800 -0.054 0.000 0.947 82 D HN 0.767 nan 8.370 nan 0.000 0.452 83 E N 0.257 120.433 120.200 -0.040 0.000 2.152 83 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 83 E C 2.188 178.767 176.600 -0.035 0.000 0.983 83 E CA 0.472 56.847 56.400 -0.042 0.000 0.818 83 E CB -0.015 29.662 29.700 -0.038 0.000 0.758 83 E HN 0.388 nan 8.360 nan 0.000 0.467 84 Q N 0.343 120.130 119.800 -0.022 0.000 2.079 84 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 84 Q C 2.384 178.378 176.000 -0.009 0.000 0.974 84 Q CA 1.056 56.853 55.803 -0.010 0.000 0.840 84 Q CB 0.056 28.795 28.738 0.003 0.000 0.898 84 Q HN 0.115 nan 8.270 nan 0.000 0.430 85 V N 1.019 120.927 119.914 -0.009 0.000 2.287 85 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 85 V C 2.181 178.220 176.094 -0.092 0.000 1.053 85 V CA 1.512 63.806 62.300 -0.009 0.000 1.027 85 V CB -0.509 31.313 31.823 -0.002 0.000 0.646 85 V HN 0.306 nan 8.190 nan 0.000 0.447 86 L N 0.014 121.186 121.223 -0.086 0.000 2.042 86 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 86 L C 2.517 179.321 176.870 -0.109 0.000 1.076 86 L CA 1.952 56.729 54.840 -0.106 0.000 0.749 86 L CB -0.756 41.254 42.059 -0.081 0.000 0.893 86 L HN 0.304 nan 8.230 nan 0.000 0.432 87 E N -0.253 119.902 120.200 -0.075 0.000 2.072 87 E HA -0.176 4.174 4.350 -0.001 0.000 0.190 87 E C 2.193 178.755 176.600 -0.063 0.000 0.982 87 E CA 0.973 57.337 56.400 -0.060 0.000 0.803 87 E CB -0.181 29.497 29.700 -0.035 0.000 0.755 87 E HN 0.530 nan 8.360 nan 0.000 0.453 88 K N 0.434 120.802 120.400 -0.053 0.000 2.057 88 K HA -0.075 4.245 4.320 -0.001 0.000 0.207 88 K C 2.231 178.748 176.600 -0.138 0.000 1.049 88 K CA 1.151 57.428 56.287 -0.016 0.000 0.931 88 K CB -0.158 32.404 32.500 0.104 0.000 0.714 88 K HN -0.051 nan 8.250 nan 0.000 0.440 89 V N 1.416 121.106 119.914 -0.374 0.000 2.358 89 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 89 V C 2.369 178.313 176.094 -0.251 0.000 1.047 89 V CA 1.981 63.943 62.300 -0.563 0.000 1.035 89 V CB -0.643 30.797 31.823 -0.637 0.000 0.658 89 V HN 0.362 nan 8.190 nan 0.000 0.452 90 A N -0.017 122.703 122.820 -0.167 0.000 1.908 90 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 90 A C 2.385 179.928 177.584 -0.069 0.000 1.181 90 A CA 1.704 53.680 52.037 -0.102 0.000 0.627 90 A CB -0.412 18.540 19.000 -0.080 0.000 0.818 90 A HN 0.448 nan 8.150 nan 0.000 0.445 91 R N -0.617 119.851 120.500 -0.053 0.000 2.055 91 R HA -0.055 4.284 4.340 -0.001 0.000 0.226 91 R C 2.335 178.637 176.300 0.004 0.000 1.135 91 R CA 1.672 57.762 56.100 -0.017 0.000 0.959 91 R CB -0.678 29.621 30.300 -0.001 0.000 0.854 91 R HN 0.757 nan 8.270 nan 0.000 0.431 92 Q N -0.263 119.550 119.800 0.021 0.000 2.089 92 Q HA 0.130 4.469 4.340 -0.001 0.000 0.195 92 Q C 0.385 176.432 176.000 0.079 0.000 0.963 92 Q CA 1.144 56.999 55.803 0.087 0.000 0.834 92 Q CB 0.421 29.283 28.738 0.208 0.000 0.906 92 Q HN 0.206 nan 8.270 nan 0.000 0.452 93 A N 0.903 123.722 122.820 -0.003 0.000 3.409 93 A HA 0.246 4.565 4.320 -0.001 0.000 0.282 93 A C -2.165 175.224 177.584 -0.325 0.000 1.064 93 A CA -0.958 51.001 52.037 -0.130 0.000 0.889 93 A CB 0.449 19.512 19.000 0.105 0.000 1.251 93 A HN -0.014 nan 8.150 nan 0.000 0.538 94 P HA -0.258 nan 4.420 nan 0.000 0.220 94 P C 1.061 178.286 177.300 -0.125 0.000 1.144 94 P CA 1.936 64.954 63.100 -0.136 0.000 0.800 94 P CB -0.255 31.408 31.700 -0.062 0.000 0.772 95 H N -3.204 115.817 119.070 -0.083 0.000 2.489 95 H HA -0.070 4.486 4.556 -0.001 0.000 0.293 95 H C 1.800 177.063 175.328 -0.110 0.000 1.066 95 H CA 0.700 56.661 56.048 -0.145 0.000 1.305 95 H CB -1.636 27.965 29.762 -0.270 0.000 1.386 95 H HN 0.207 nan 8.280 nan 0.000 0.551 96 W N 0.830 122.045 121.300 -0.143 0.000 2.467 96 W HA 0.062 4.721 4.660 -0.001 0.000 0.275 96 W C 1.848 178.401 176.519 0.057 0.000 1.239 96 W CA 0.248 57.613 57.345 0.034 0.000 1.266 96 W CB -0.004 29.415 29.460 -0.069 0.000 1.112 96 W HN 0.171 nan 8.180 nan 0.000 0.576 97 L N -0.419 120.906 121.223 0.170 0.000 2.013 97 L HA -0.320 4.019 4.340 -0.001 0.000 0.212 97 L C 2.685 179.623 176.870 0.113 0.000 1.073 97 L CA 1.724 56.616 54.840 0.087 0.000 0.753 97 L CB -1.164 40.885 42.059 -0.017 0.000 0.890 97 L HN -0.040 nan 8.230 nan 0.000 0.432 98 S N -0.937 114.840 115.700 0.128 0.000 2.368 98 S HA -0.170 4.300 4.470 -0.001 0.000 0.225 98 S C 2.125 176.901 174.600 0.295 0.000 1.030 98 S CA 1.687 60.013 58.200 0.211 0.000 0.999 98 S CB -0.074 63.271 63.200 0.241 0.000 0.844 98 S HN 0.391 nan 8.310 nan 0.000 0.459 99 S N 0.662 116.562 115.700 0.332 0.000 2.447 99 S HA -0.041 4.428 4.470 -0.001 0.000 0.233 99 S C 1.466 176.321 174.600 0.425 0.000 1.006 99 S CA 1.158 59.629 58.200 0.451 0.000 0.957 99 S CB 0.022 63.666 63.200 0.740 0.000 0.773 99 S HN 0.701 nan 8.310 nan 0.000 0.507 100 V N -2.020 118.116 119.914 0.369 0.000 3.376 100 V HA 0.446 4.565 4.120 -0.001 0.000 0.313 100 V C 0.443 176.668 176.094 0.218 0.000 1.393 100 V CA -0.075 62.398 62.300 0.289 0.000 1.125 100 V CB 0.439 32.453 31.823 0.317 0.000 1.037 100 V HN 0.193 nan 8.190 nan 0.000 0.440 101 S N 0.148 115.975 115.700 0.211 0.000 2.846 101 S HA 0.300 4.769 4.470 -0.001 0.000 0.249 101 S C 0.606 175.374 174.600 0.280 0.000 1.028 101 S CA 0.231 58.532 58.200 0.168 0.000 1.043 101 S CB 0.427 63.645 63.200 0.030 0.000 0.990 101 S HN 0.616 nan 8.310 nan 0.000 0.564 102 S N 1.729 117.580 115.700 0.251 0.000 2.565 102 S HA 0.525 4.995 4.470 -0.001 0.000 0.276 102 S C 0.920 175.567 174.600 0.078 0.000 1.326 102 S CA -0.273 58.029 58.200 0.170 0.000 1.045 102 S CB 0.955 64.279 63.200 0.207 0.000 0.918 102 S HN 0.443 nan 8.310 nan 0.000 0.505 103 A N 3.570 126.402 122.820 0.020 0.000 2.370 103 A HA 0.220 4.540 4.320 -0.001 0.000 0.238 103 A C 1.877 179.308 177.584 -0.254 0.000 1.289 103 A CA 0.460 52.455 52.037 -0.070 0.000 0.885 103 A CB -0.907 18.087 19.000 -0.010 0.000 0.961 103 A HN 1.145 nan 8.150 nan 0.000 0.499 104 S N 0.962 116.586 115.700 -0.126 0.000 2.423 104 S HA -0.072 4.398 4.470 -0.001 0.000 0.238 104 S C -0.936 173.542 174.600 -0.203 0.000 1.028 104 S CA 0.555 58.703 58.200 -0.086 0.000 1.000 104 S CB -1.503 61.906 63.200 0.349 0.000 0.797 104 S HN 0.515 nan 8.310 nan 0.000 0.487 108 V N -0.129 119.882 119.914 0.161 0.000 3.383 108 V HA -0.035 4.085 4.120 -0.001 0.000 0.272 108 V C 1.814 177.976 176.094 0.114 0.000 1.181 108 V CA 2.053 64.424 62.300 0.118 0.000 1.171 108 V CB -0.603 31.289 31.823 0.114 0.000 0.800 108 V HN 0.261 nan 8.190 nan 0.000 0.515 109 A N 1.322 124.228 122.820 0.143 0.000 2.067 109 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 109 A C 1.861 179.468 177.584 0.038 0.000 1.158 109 A CA 1.959 54.053 52.037 0.095 0.000 0.661 109 A CB -0.813 18.251 19.000 0.107 0.000 0.801 109 A HN 0.710 nan 8.150 nan 0.000 0.452 110 N N -0.586 118.140 118.700 0.043 0.000 2.280 110 N HA 0.316 5.056 4.740 -0.001 0.000 0.192 110 N C 1.454 176.975 175.510 0.020 0.000 1.109 110 N CA 0.471 53.518 53.050 -0.005 0.000 0.855 110 N CB 0.171 38.645 38.487 -0.021 0.000 0.974 110 N HN 0.412 nan 8.380 nan 0.000 0.482 111 A N 0.538 123.378 122.820 0.035 0.000 1.902 111 A HA 0.384 4.704 4.320 -0.001 0.000 0.217 111 A C 1.046 178.634 177.584 0.006 0.000 1.181 111 A CA 1.548 53.602 52.037 0.029 0.000 0.623 111 A CB -0.050 18.974 19.000 0.040 0.000 0.818 111 A HN 0.327 nan 8.150 nan 0.000 0.443 112 A N -3.476 119.336 122.820 -0.013 0.000 2.511 112 A HA 0.592 4.912 4.320 -0.001 0.000 0.293 112 A C -0.679 176.873 177.584 -0.054 0.000 1.098 112 A CA -0.008 52.010 52.037 -0.032 0.000 0.643 112 A CB 0.016 18.976 19.000 -0.067 0.000 1.302 112 A HN 0.188 nan 8.150 nan 0.000 0.446 113 T N 1.624 116.136 114.554 -0.070 0.000 2.807 113 T HA 0.594 4.944 4.350 -0.001 0.000 0.279 113 T C -0.432 174.180 174.700 -0.146 0.000 0.993 113 T CA -0.267 61.737 62.100 -0.161 0.000 0.970 113 T CB 0.701 69.471 68.868 -0.164 0.000 0.950 113 T HN 0.452 nan 8.240 nan 0.000 0.441 114 I N 2.380 122.853 120.570 -0.162 0.000 2.437 114 I HA 0.670 4.840 4.170 -0.001 0.000 0.298 114 I C 0.193 176.326 176.117 0.025 0.000 0.984 114 I CA -1.260 59.999 61.300 -0.068 0.000 1.214 114 I CB 1.151 39.124 38.000 -0.044 0.000 1.365 114 I HN 0.721 nan 8.210 nan 0.000 0.469 115 A N 7.879 130.748 122.820 0.081 0.000 2.363 115 A HA 0.737 5.057 4.320 -0.001 0.000 0.296 115 A C -2.647 175.025 177.584 0.147 0.000 1.237 115 A CA -1.404 50.720 52.037 0.145 0.000 0.773 115 A CB 0.709 19.805 19.000 0.159 0.000 1.153 115 A HN 0.407 nan 8.150 nan 0.000 0.473 116 P HA 0.040 nan 4.420 nan 0.000 0.269 116 P C 1.223 178.604 177.300 0.135 0.000 1.215 116 P CA 0.255 63.436 63.100 0.134 0.000 0.780 116 P CB 0.844 32.629 31.700 0.140 0.000 0.898 117 S N 1.521 117.293 115.700 0.121 0.000 2.465 117 S HA -0.182 4.288 4.470 -0.001 0.000 0.241 117 S C 1.732 176.387 174.600 0.092 0.000 1.000 117 S CA 1.033 59.296 58.200 0.105 0.000 0.964 117 S CB -1.125 62.112 63.200 0.062 0.000 0.763 117 S HN 0.491 nan 8.310 nan 0.000 0.512 118 A N 1.341 124.219 122.820 0.097 0.000 2.168 118 A HA 0.050 4.370 4.320 -0.001 0.000 0.215 118 A C 1.424 179.059 177.584 0.085 0.000 1.152 118 A CA 1.128 53.218 52.037 0.089 0.000 0.716 118 A CB -0.194 18.869 19.000 0.105 0.000 0.794 118 A HN 0.489 nan 8.150 nan 0.000 0.465 119 D N -0.945 119.511 120.400 0.094 0.000 2.441 119 D HA 0.081 4.720 4.640 -0.001 0.000 0.210 119 D C 0.695 177.036 176.300 0.068 0.000 1.102 119 D CA 0.893 54.943 54.000 0.083 0.000 0.840 119 D CB 0.158 41.019 40.800 0.101 0.000 0.990 119 D HN 0.483 nan 8.370 nan 0.000 0.505 120 T N -1.311 113.290 114.554 0.077 0.000 2.922 120 T HA 0.379 4.728 4.350 -0.001 0.000 0.285 120 T C 1.648 176.373 174.700 0.041 0.000 1.005 120 T CA -0.654 61.477 62.100 0.051 0.000 1.061 120 T CB 1.436 70.382 68.868 0.129 0.000 1.007 120 T HN -0.121 nan 8.240 nan 0.000 0.502 121 L N 0.923 122.151 121.223 0.008 0.000 2.217 121 L HA 0.086 4.426 4.340 -0.001 0.000 0.211 121 L C 1.915 178.809 176.870 0.040 0.000 1.107 121 L CA 0.942 55.792 54.840 0.016 0.000 0.783 121 L CB -0.570 41.486 42.059 -0.006 0.000 0.919 121 L HN 0.782 nan 8.230 nan 0.000 0.442 122 D N -0.491 119.955 120.400 0.077 0.000 2.402 122 D HA 0.079 4.718 4.640 -0.001 0.000 0.216 122 D C 1.391 177.744 176.300 0.089 0.000 1.128 122 D CA 0.424 54.480 54.000 0.094 0.000 0.833 122 D CB 0.349 41.234 40.800 0.141 0.000 0.971 122 D HN 0.208 nan 8.370 nan 0.000 0.503 123 G N 0.710 109.562 108.800 0.086 0.000 2.180 123 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.263 123 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.263 123 G C 0.234 175.166 174.900 0.053 0.000 0.989 123 G CA 0.709 45.846 45.100 0.063 0.000 0.692 123 G HN 0.487 nan 8.290 nan 0.000 0.526 124 K N -0.856 119.601 120.400 0.095 0.000 2.211 124 K HA 0.645 4.965 4.320 -0.001 0.000 0.237 124 K C 0.278 176.923 176.600 0.075 0.000 1.002 124 K CA -0.925 55.363 56.287 0.002 0.000 0.885 124 K CB 2.035 34.467 32.500 -0.114 0.000 1.136 124 K HN -0.011 nan 8.250 nan 0.000 0.448 125 V N 2.690 122.597 119.914 -0.011 0.000 2.461 125 V HA 0.114 4.234 4.120 -0.001 0.000 0.275 125 V C -0.132 175.941 176.094 -0.034 0.000 1.047 125 V CA -0.270 62.081 62.300 0.085 0.000 0.955 125 V CB 0.475 32.419 31.823 0.203 0.000 0.988 125 V HN 0.609 nan 8.190 nan 0.000 0.471 126 H N 5.238 124.325 119.070 0.029 0.000 2.469 126 H HA 0.609 5.165 4.556 -0.000 0.000 0.342 126 H C -1.217 174.073 175.328 -0.063 0.000 1.115 126 H CA -0.665 55.389 56.048 0.009 0.000 1.204 126 H CB 2.182 32.042 29.762 0.164 0.000 1.492 126 H HN 0.358 nan 8.280 nan 0.000 0.499 127 L N 2.576 123.757 121.223 -0.071 0.000 2.406 127 L HA 0.249 4.589 4.340 -0.001 0.000 0.272 127 L C 0.124 176.973 176.870 -0.035 0.000 0.980 127 L CA -0.348 54.413 54.840 -0.133 0.000 0.831 127 L CB 1.968 43.814 42.059 -0.356 0.000 1.253 127 L HN 0.517 nan 8.230 nan 0.000 0.406 128 T N 2.258 116.845 114.554 0.056 0.000 2.772 128 T HA 0.483 4.833 4.350 -0.001 0.000 0.288 128 T C 0.138 174.862 174.700 0.040 0.000 0.994 128 T CA -0.471 61.698 62.100 0.114 0.000 0.951 128 T CB 1.359 70.325 68.868 0.163 0.000 0.933 128 T HN 0.199 nan 8.240 nan 0.000 0.447 129 V N 3.257 123.190 119.914 0.030 0.000 2.673 129 V HA 0.324 4.444 4.120 -0.001 0.000 0.303 129 V C 0.881 176.995 176.094 0.034 0.000 1.046 129 V CA -0.473 61.837 62.300 0.017 0.000 1.126 129 V CB 0.341 32.174 31.823 0.017 0.000 0.934 129 V HN 1.036 nan 8.190 nan 0.000 0.487 130 A N 3.991 126.828 122.820 0.029 0.000 2.328 130 A HA 0.413 4.733 4.320 -0.001 0.000 0.284 130 A C 1.104 178.710 177.584 0.036 0.000 1.160 130 A CA -0.315 51.746 52.037 0.040 0.000 0.818 130 A CB 0.114 19.137 19.000 0.037 0.000 1.087 130 A HN 1.021 nan 8.150 nan 0.000 0.504 131 N N 2.469 121.194 118.700 0.042 0.000 2.309 131 N HA -0.121 4.619 4.740 -0.001 0.000 0.182 131 N C 0.457 175.982 175.510 0.025 0.000 1.018 131 N CA 1.035 54.106 53.050 0.035 0.000 0.876 131 N CB -0.808 37.704 38.487 0.042 0.000 0.972 131 N HN 0.721 nan 8.380 nan 0.000 0.434 132 L N -0.043 121.200 121.223 0.033 0.000 3.742 132 L HA -0.278 4.061 4.340 -0.001 0.000 0.431 132 L C 1.227 178.106 176.870 0.015 0.000 1.220 132 L CA 0.448 55.300 54.840 0.021 0.000 0.863 132 L CB -1.974 40.075 42.059 -0.016 0.000 1.751 132 L HN 0.486 nan 8.230 nan 0.000 0.922 133 N N 1.091 119.816 118.700 0.041 0.000 2.223 133 N HA -0.209 4.531 4.740 -0.001 0.000 0.185 133 N C 1.486 177.036 175.510 0.066 0.000 1.016 133 N CA 1.615 54.699 53.050 0.055 0.000 0.863 133 N CB 0.040 38.564 38.487 0.061 0.000 0.983 133 N HN 0.686 nan 8.380 nan 0.000 0.429 134 N N 0.564 119.297 118.700 0.054 0.000 2.104 134 N HA -0.118 4.621 4.740 -0.001 0.000 0.190 134 N C -0.386 175.164 175.510 0.068 0.000 1.024 134 N CA 1.021 54.104 53.050 0.055 0.000 0.853 134 N CB 0.120 38.627 38.487 0.033 0.000 1.008 134 N HN 0.107 nan 8.380 nan 0.000 0.424 135 K N 0.902 121.324 120.400 0.036 0.000 2.265 135 K HA 0.054 4.373 4.320 -0.001 0.000 0.267 135 K C 0.474 177.133 176.600 0.098 0.000 0.994 135 K CA -0.569 55.759 56.287 0.068 0.000 0.860 135 K CB 0.958 33.417 32.500 -0.068 0.000 1.099 135 K HN 0.056 nan 8.250 nan 0.000 0.448 136 F N 4.729 124.759 119.950 0.134 0.000 2.063 136 F HA -0.351 4.175 4.527 -0.001 0.000 0.298 136 F C 2.451 178.353 175.800 0.170 0.000 1.109 136 F CA 2.096 60.200 58.000 0.174 0.000 1.212 136 F CB 0.086 39.245 39.000 0.265 0.000 0.973 136 F HN 0.784 nan 8.300 nan 0.000 0.480 137 H N 0.191 119.230 119.070 -0.052 0.000 2.456 137 H HA -0.072 4.483 4.556 -0.001 0.000 0.296 137 H C 1.845 177.084 175.328 -0.148 0.000 1.079 137 H CA 1.623 57.571 56.048 -0.166 0.000 1.322 137 H CB -0.762 29.041 29.762 0.068 0.000 1.388 137 H HN 0.375 nan 8.280 nan 0.000 0.538 138 R N 0.821 120.960 120.500 -0.602 0.000 2.173 138 R HA 0.007 4.347 4.340 -0.001 0.000 0.208 138 R C 2.551 178.722 176.300 -0.215 0.000 1.035 138 R CA 0.861 56.728 56.100 -0.388 0.000 1.004 138 R CB 0.037 30.104 30.300 -0.388 0.000 0.917 138 R HN 0.487 nan 8.270 nan 0.000 0.462 139 S N 1.124 116.710 115.700 -0.189 0.000 2.474 139 S HA -0.045 4.425 4.470 -0.001 0.000 0.235 139 S C 1.975 176.503 174.600 -0.120 0.000 0.997 139 S CA 0.702 58.842 58.200 -0.100 0.000 0.949 139 S CB -0.352 62.836 63.200 -0.021 0.000 0.766 139 S HN 0.223 nan 8.310 nan 0.000 0.517 140 L N 0.755 121.845 121.223 -0.222 0.000 2.376 140 L HA 0.041 4.381 4.340 -0.001 0.000 0.219 140 L C 2.667 179.417 176.870 -0.201 0.000 1.133 140 L CA 0.993 55.696 54.840 -0.228 0.000 0.816 140 L CB -0.577 41.282 42.059 -0.334 0.000 0.933 140 L HN 0.374 nan 8.230 nan 0.000 0.449 141 E N 0.725 120.848 120.200 -0.128 0.000 2.047 141 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 141 E C 2.409 179.044 176.600 0.058 0.000 0.987 141 E CA 1.012 57.411 56.400 -0.003 0.000 0.799 141 E CB -0.193 29.483 29.700 -0.041 0.000 0.752 141 E HN 0.467 nan 8.360 nan 0.000 0.449 142 A N 2.012 124.842 122.820 0.016 0.000 1.906 142 A HA -0.248 4.071 4.320 -0.001 0.000 0.222 142 A C -0.241 177.354 177.584 0.017 0.000 1.282 142 A CA 2.400 54.452 52.037 0.024 0.000 0.675 142 A CB -1.928 17.083 19.000 0.019 0.000 0.838 142 A HN 0.181 nan 8.150 nan 0.000 0.469 143 P HA -0.112 nan 4.420 nan 0.000 0.215 143 P C 1.602 178.887 177.300 -0.025 0.000 1.157 143 P CA 1.682 64.789 63.100 0.012 0.000 0.874 143 P CB -0.162 31.568 31.700 0.050 0.000 0.790 144 V N -0.960 118.913 119.914 -0.068 0.000 2.548 144 V HA -0.176 3.944 4.120 -0.001 0.000 0.249 144 V C 2.289 178.245 176.094 -0.230 0.000 1.055 144 V CA 2.268 64.450 62.300 -0.198 0.000 1.065 144 V CB -1.750 29.846 31.823 -0.378 0.000 0.681 144 V HN 0.181 nan 8.190 nan 0.000 0.462 145 T N -0.522 113.993 114.554 -0.064 0.000 2.788 145 T HA -0.218 4.132 4.350 -0.001 0.000 0.268 145 T C 1.866 176.552 174.700 -0.024 0.000 1.044 145 T CA 1.735 63.852 62.100 0.029 0.000 1.139 145 T CB -0.131 68.811 68.868 0.123 0.000 0.867 145 T HN 0.611 nan 8.240 nan 0.000 0.454 146 E N 0.646 120.827 120.200 -0.031 0.000 2.051 146 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 146 E C 2.358 178.921 176.600 -0.061 0.000 0.991 146 E CA 1.198 57.575 56.400 -0.037 0.000 0.799 146 E CB -0.033 29.653 29.700 -0.022 0.000 0.748 146 E HN 0.344 nan 8.360 nan 0.000 0.449 147 S N 0.814 116.460 115.700 -0.090 0.000 2.359 147 S HA -0.163 4.307 4.470 -0.001 0.000 0.224 147 S C 1.991 176.505 174.600 -0.143 0.000 1.035 147 S CA 1.080 59.206 58.200 -0.123 0.000 1.018 147 S CB -0.272 62.826 63.200 -0.169 0.000 0.876 147 S HN 0.268 nan 8.310 nan 0.000 0.448 148 L N 1.036 122.162 121.223 -0.161 0.000 2.017 148 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 148 L C 2.306 179.142 176.870 -0.056 0.000 1.073 148 L CA 1.117 55.874 54.840 -0.139 0.000 0.745 148 L CB -0.683 41.310 42.059 -0.109 0.000 0.894 148 L HN 0.291 nan 8.230 nan 0.000 0.432 149 L N -0.284 120.931 121.223 -0.013 0.000 2.083 149 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 149 L C 2.567 179.482 176.870 0.075 0.000 1.083 149 L CA 1.400 56.283 54.840 0.072 0.000 0.752 149 L CB -0.494 41.555 42.059 -0.017 0.000 0.899 149 L HN 0.262 nan 8.230 nan 0.000 0.433 150 K N -0.060 120.334 120.400 -0.010 0.000 2.288 150 K HA -0.045 4.275 4.320 -0.001 0.000 0.201 150 K C 2.038 178.620 176.600 -0.030 0.000 1.048 150 K CA 1.056 57.335 56.287 -0.014 0.000 0.956 150 K CB -0.045 32.433 32.500 -0.035 0.000 0.746 150 K HN 0.265 nan 8.250 nan 0.000 0.461 151 A N 0.621 123.401 122.820 -0.067 0.000 2.081 151 A HA 0.069 4.388 4.320 -0.001 0.000 0.214 151 A C 1.868 179.378 177.584 -0.122 0.000 1.158 151 A CA 0.573 52.554 52.037 -0.094 0.000 0.724 151 A CB -0.105 18.817 19.000 -0.129 0.000 0.826 151 A HN 0.103 nan 8.150 nan 0.000 0.463 152 I N -2.259 118.218 120.570 -0.156 0.000 2.556 152 I HA 0.042 4.212 4.170 -0.001 0.000 0.251 152 I C 0.051 175.820 176.117 -0.581 0.000 1.105 152 I CA 0.648 61.740 61.300 -0.347 0.000 1.436 152 I CB 0.117 37.867 38.000 -0.416 0.000 1.139 152 I HN 0.212 nan 8.210 nan 0.000 0.438 153 F N 1.598 121.332 119.950 -0.360 0.000 2.461 153 F HA 0.265 4.791 4.527 -0.000 0.000 0.321 153 F C 1.370 177.067 175.800 -0.173 0.000 1.203 153 F CA -0.282 57.319 58.000 -0.665 0.000 1.238 153 F CB -0.581 37.842 39.000 -0.961 0.000 1.528 153 F HN 0.014 nan 8.300 nan 0.000 0.554 154 N N 0.604 119.341 118.700 0.063 0.000 2.354 154 N HA -0.142 4.598 4.740 -0.001 0.000 0.179 154 N C 0.220 175.840 175.510 0.183 0.000 1.021 154 N CA 0.509 53.621 53.050 0.104 0.000 0.887 154 N CB 0.118 38.621 38.487 0.026 0.000 0.974 154 N HN 0.294 nan 8.380 nan 0.000 0.437 155 D N 1.855 122.443 120.400 0.314 0.000 2.346 155 D HA -0.020 4.620 4.640 -0.001 0.000 0.267 155 D C 0.523 176.896 176.300 0.122 0.000 1.320 155 D CA 0.237 54.347 54.000 0.182 0.000 0.951 155 D CB 0.506 41.385 40.800 0.132 0.000 1.079 155 D HN 0.236 nan 8.370 nan 0.000 0.509 156 E N 2.190 122.420 120.200 0.050 0.000 2.409 156 E HA -0.143 4.207 4.350 -0.001 0.000 0.198 156 E C 0.938 177.496 176.600 -0.069 0.000 1.024 156 E CA 0.599 57.000 56.400 0.002 0.000 0.861 156 E CB 0.340 30.039 29.700 -0.002 0.000 0.788 156 E HN 0.618 nan 8.360 nan 0.000 0.521 157 E N 0.248 120.389 120.200 -0.098 0.000 2.371 157 E HA -0.046 4.303 4.350 -0.001 0.000 0.194 157 E C 1.569 178.040 176.600 -0.214 0.000 1.012 157 E CA 0.489 56.816 56.400 -0.122 0.000 0.860 157 E CB 0.341 29.983 29.700 -0.096 0.000 0.811 157 E HN 0.024 nan 8.360 nan 0.000 0.502 158 K N -0.285 119.889 120.400 -0.377 0.000 2.387 158 K HA 0.172 4.491 4.320 -0.001 0.000 0.197 158 K C 0.093 176.215 176.600 -0.796 0.000 1.127 158 K CA 0.426 56.293 56.287 -0.699 0.000 0.950 158 K CB 0.709 32.514 32.500 -1.159 0.000 1.017 158 K HN -0.008 nan 8.250 nan 0.000 0.519 159 F N 0.547 120.454 119.950 -0.071 0.000 2.551 159 F HA 0.385 4.911 4.527 -0.001 0.000 0.316 159 F C -0.078 175.579 175.800 -0.237 0.000 1.089 159 F CA -1.069 56.846 58.000 -0.141 0.000 0.915 159 F CB 2.104 41.081 39.000 -0.038 0.000 1.186 159 F HN -0.378 nan 8.300 nan 0.000 0.456 160 S N 1.761 117.323 115.700 -0.229 0.000 2.774 160 S HA 0.505 4.974 4.470 -0.001 0.000 0.297 160 S C -0.835 173.427 174.600 -0.563 0.000 1.143 160 S CA -0.665 57.284 58.200 -0.418 0.000 1.090 160 S CB 1.390 64.195 63.200 -0.658 0.000 1.019 160 S HN 0.346 nan 8.310 nan 0.000 0.482 161 V N 5.658 125.327 119.914 -0.408 0.000 2.383 161 V HA 0.358 4.477 4.120 -0.001 0.000 0.275 161 V C -0.182 175.685 176.094 -0.380 0.000 1.036 161 V CA -0.524 61.556 62.300 -0.367 0.000 0.889 161 V CB 0.511 32.227 31.823 -0.179 0.000 0.985 161 V HN 0.765 nan 8.190 nan 0.000 0.459 162 H N 2.072 121.145 119.070 0.005 0.000 2.472 162 H HA 0.463 5.019 4.556 -0.000 0.000 0.338 162 H C 0.144 175.478 175.328 0.010 0.000 1.133 162 H CA -0.598 55.463 56.048 0.023 0.000 1.216 162 H CB 1.778 31.569 29.762 0.049 0.000 1.497 162 H HN 0.560 nan 8.280 nan 0.000 0.500 163 S N 0.828 116.606 115.700 0.130 0.000 2.584 163 S HA 0.305 4.775 4.470 -0.001 0.000 0.270 163 S C 0.677 175.322 174.600 0.074 0.000 1.346 163 S CA -0.577 57.667 58.200 0.074 0.000 1.018 163 S CB 0.715 63.949 63.200 0.057 0.000 0.899 163 S HN 0.776 nan 8.310 nan 0.000 0.542 164 A N 1.903 124.755 122.820 0.052 0.000 2.466 164 A HA 0.352 4.672 4.320 -0.001 0.000 0.238 164 A C 0.336 177.947 177.584 0.044 0.000 1.074 164 A CA -0.325 51.741 52.037 0.048 0.000 0.774 164 A CB -0.233 18.791 19.000 0.040 0.000 1.015 164 A HN 0.764 nan 8.150 nan 0.000 0.498 165 L N 1.366 122.613 121.223 0.041 0.000 2.476 165 L HA 0.173 4.513 4.340 -0.001 0.000 0.264 165 L C -1.839 175.050 176.870 0.031 0.000 1.224 165 L CA -1.484 53.375 54.840 0.031 0.000 0.821 165 L CB -0.188 41.888 42.059 0.029 0.000 1.101 165 L HN 0.458 nan 8.230 nan 0.000 0.488 166 P HA -0.083 nan 4.420 nan 0.000 0.264 166 P C -0.919 176.402 177.300 0.035 0.000 1.179 166 P CA 0.152 63.269 63.100 0.027 0.000 0.763 166 P CB 0.262 31.974 31.700 0.019 0.000 0.806 167 Q N 2.143 121.967 119.800 0.042 0.000 2.837 167 Q HA 0.223 4.563 4.340 -0.001 0.000 0.235 167 Q C -0.181 175.850 176.000 0.052 0.000 1.348 167 Q CA 0.111 55.944 55.803 0.051 0.000 0.990 167 Q CB -0.221 28.553 28.738 0.061 0.000 1.570 167 Q HN 0.270 nan 8.270 nan 0.000 0.575 168 V N -3.073 116.868 119.914 0.045 0.000 3.049 168 V HA 0.670 4.789 4.120 -0.001 0.000 0.309 168 V C 0.847 176.966 176.094 0.042 0.000 1.148 168 V CA -0.569 61.757 62.300 0.043 0.000 0.990 168 V CB 1.456 33.297 31.823 0.031 0.000 1.039 168 V HN 0.322 nan 8.190 nan 0.000 0.430 169 A N 1.777 124.623 122.820 0.043 0.000 1.986 169 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 169 A C 1.766 179.370 177.584 0.033 0.000 1.171 169 A CA 2.366 54.428 52.037 0.042 0.000 0.640 169 A CB -0.680 18.344 19.000 0.041 0.000 0.811 169 A HN 1.410 nan 8.150 nan 0.000 0.451 170 L N -1.099 120.137 121.223 0.021 0.000 2.191 170 L HA 0.018 4.358 4.340 -0.001 0.000 0.212 170 L C 1.209 178.081 176.870 0.003 0.000 1.103 170 L CA 1.633 56.477 54.840 0.007 0.000 0.769 170 L CB -0.136 41.921 42.059 -0.002 0.000 0.908 170 L HN 0.353 nan 8.230 nan 0.000 0.438 171 L N -0.016 121.216 121.223 0.016 0.000 3.154 171 L HA 0.384 4.724 4.340 -0.001 0.000 0.266 171 L C 0.780 177.675 176.870 0.042 0.000 1.300 171 L CA -0.404 54.447 54.840 0.019 0.000 1.028 171 L CB -0.099 41.968 42.059 0.013 0.000 1.412 171 L HN 0.173 nan 8.230 nan 0.000 0.564 172 G N 0.137 108.968 108.800 0.052 0.000 2.254 172 G HA2 0.148 4.108 3.960 -0.001 0.000 0.253 172 G HA3 0.148 4.108 3.960 -0.001 0.000 0.253 172 G C -0.862 174.094 174.900 0.094 0.000 1.246 172 G CA 0.209 45.352 45.100 0.071 0.000 0.946 172 G HN 0.242 nan 8.290 nan 0.000 0.474 173 D N 0.989 121.447 120.400 0.096 0.000 2.757 173 D HA 0.307 4.946 4.640 -0.001 0.000 0.249 173 D C 0.463 176.831 176.300 0.114 0.000 1.168 173 D CA -0.624 53.445 54.000 0.116 0.000 0.870 173 D CB 1.432 42.291 40.800 0.098 0.000 1.411 173 D HN 0.245 nan 8.370 nan 0.000 0.525 174 E N 2.326 122.611 120.200 0.142 0.000 2.548 174 E HA 0.303 4.653 4.350 -0.001 0.000 0.206 174 E C 1.111 177.732 176.600 0.035 0.000 1.005 174 E CA 0.028 56.495 56.400 0.111 0.000 0.951 174 E CB 0.646 30.492 29.700 0.244 0.000 1.035 174 E HN 0.783 nan 8.360 nan 0.000 0.470 175 G N 1.888 110.726 108.800 0.062 0.000 2.552 175 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.265 175 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.265 175 G C 1.110 176.015 174.900 0.009 0.000 1.234 175 G CA 0.603 45.719 45.100 0.026 0.000 0.944 175 G HN 0.356 nan 8.290 nan 0.000 0.568 176 A N -0.660 122.152 122.820 -0.013 0.000 1.997 176 A HA 0.160 4.479 4.320 -0.001 0.000 0.221 176 A C 3.032 180.646 177.584 0.050 0.000 1.172 176 A CA 3.634 55.684 52.037 0.021 0.000 0.645 176 A CB -1.069 17.950 19.000 0.032 0.000 0.813 176 A HN 2.448 nan 8.150 nan 0.000 0.454 177 A N -0.410 122.410 122.820 0.001 0.000 2.084 177 A HA -0.172 4.148 4.320 -0.001 0.000 0.221 177 A C 1.572 179.192 177.584 0.060 0.000 1.161 177 A CA 1.679 53.707 52.037 -0.014 0.000 0.653 177 A CB -0.382 18.484 19.000 -0.223 0.000 0.802 177 A HN 0.559 nan 8.150 nan 0.000 0.457 178 N N -1.337 117.420 118.700 0.094 0.000 2.204 178 N HA 0.078 4.817 4.740 -0.001 0.000 0.219 178 N C -0.257 175.321 175.510 0.113 0.000 1.151 178 N CA -0.020 53.116 53.050 0.142 0.000 0.867 178 N CB 0.123 38.738 38.487 0.214 0.000 1.043 178 N HN 0.714 nan 8.380 nan 0.000 0.516 179 H N 0.680 119.693 119.070 -0.095 0.000 2.567 179 H HA 0.404 4.960 4.556 -0.001 0.000 0.345 179 H C -0.729 174.510 175.328 -0.148 0.000 1.169 179 H CA -0.274 55.615 56.048 -0.266 0.000 1.227 179 H CB 1.274 30.825 29.762 -0.351 0.000 1.607 179 H HN -0.011 nan 8.280 nan 0.000 0.534 180 N N 1.904 120.187 118.700 -0.694 0.000 2.484 180 N HA 0.207 4.947 4.740 -0.001 0.000 0.269 180 N C -1.417 173.773 175.510 -0.534 0.000 1.237 180 N CA -0.688 52.115 53.050 -0.412 0.000 0.838 180 N CB 2.977 41.348 38.487 -0.193 0.000 1.593 180 N HN 0.558 nan 8.380 nan 0.000 0.485 181 R N 1.630 121.989 120.500 -0.236 0.000 2.510 181 R HA 0.503 4.843 4.340 -0.001 0.000 0.294 181 R C -1.535 174.759 176.300 -0.011 0.000 1.056 181 R CA -0.386 55.633 56.100 -0.134 0.000 0.918 181 R CB 0.962 31.232 30.300 -0.050 0.000 1.187 181 R HN 0.503 nan 8.270 nan 0.000 0.437 182 L N 3.442 124.653 121.223 -0.021 0.000 2.342 182 L HA 0.900 5.239 4.340 -0.001 0.000 0.271 182 L C 0.419 177.304 176.870 0.025 0.000 1.008 182 L CA -0.683 54.171 54.840 0.022 0.000 0.818 182 L CB 2.268 44.328 42.059 0.002 0.000 1.296 182 L HN 0.922 nan 8.230 nan 0.000 0.427 183 G N 0.419 109.239 108.800 0.034 0.000 2.327 183 G HA2 0.373 4.333 3.960 -0.001 0.000 0.291 183 G HA3 0.373 4.333 3.960 -0.001 0.000 0.291 183 G C -0.276 174.608 174.900 -0.026 0.000 1.290 183 G CA -0.152 44.960 45.100 0.020 0.000 0.857 183 G HN 0.800 nan 8.290 nan 0.000 0.520 184 G N -0.964 107.816 108.800 -0.033 0.000 2.830 184 G HA2 0.399 4.359 3.960 -0.001 0.000 0.172 184 G HA3 0.399 4.359 3.960 -0.001 0.000 0.172 184 G C 0.226 174.987 174.900 -0.232 0.000 1.782 184 G CA 0.338 45.354 45.100 -0.140 0.000 0.900 184 G HN 0.822 nan 8.290 nan 0.000 0.389 185 H N -1.099 117.943 119.070 -0.045 0.000 2.629 185 H HA 0.283 4.839 4.556 -0.001 0.000 0.357 185 H C 0.964 176.300 175.328 0.014 0.000 1.121 185 H CA -0.096 55.914 56.048 -0.064 0.000 1.406 185 H CB 0.804 30.579 29.762 0.021 0.000 1.456 185 H HN 0.423 nan 8.280 nan 0.000 0.579 186 Y N 1.291 121.725 120.300 0.223 0.000 2.139 186 Y HA -0.273 4.277 4.550 -0.001 0.000 0.282 186 Y C 2.625 178.627 175.900 0.170 0.000 1.179 186 Y CA 0.932 59.142 58.100 0.184 0.000 1.161 186 Y CB -0.245 38.342 38.460 0.212 0.000 0.970 186 Y HN 0.865 nan 8.280 nan 0.000 0.511 187 G N -0.284 108.721 108.800 0.343 0.000 2.559 187 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.216 187 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.216 187 G C 0.234 175.232 174.900 0.163 0.000 1.126 187 G CA 0.124 45.355 45.100 0.219 0.000 0.778 187 G HN 0.349 nan 8.290 nan 0.000 0.543 188 E N 1.123 121.427 120.200 0.174 0.000 2.318 188 E HA 0.240 4.590 4.350 -0.001 0.000 0.265 188 E C -2.341 174.328 176.600 0.116 0.000 1.069 188 E CA -2.178 54.301 56.400 0.131 0.000 0.893 188 E CB 0.813 30.598 29.700 0.141 0.000 1.076 188 E HN 0.022 nan 8.360 nan 0.000 0.414 189 P HA -0.028 nan 4.420 nan 0.000 0.263 189 P C -0.428 176.916 177.300 0.073 0.000 1.195 189 P CA 0.237 63.384 63.100 0.078 0.000 0.762 189 P CB 0.688 32.424 31.700 0.059 0.000 0.799 193 L N 3.082 124.168 121.223 -0.228 0.000 2.316 193 L HA 0.613 4.953 4.340 -0.001 0.000 0.280 193 L C -1.832 174.980 176.870 -0.096 0.000 1.006 193 L CA -0.054 54.701 54.840 -0.141 0.000 0.836 193 L CB 0.626 42.573 42.059 -0.186 0.000 1.221 193 L HN 0.441 nan 8.230 nan 0.000 0.418 194 F N 4.869 124.768 119.950 -0.085 0.000 2.405 194 F HA 0.540 5.067 4.527 -0.000 0.000 0.355 194 F C 0.115 176.038 175.800 0.204 0.000 1.121 194 F CA -0.497 57.579 58.000 0.126 0.000 1.112 194 F CB 1.636 40.726 39.000 0.151 0.000 1.126 194 F HN 0.131 nan 8.300 nan 0.000 0.481 195 V N 5.141 125.259 119.914 0.340 0.000 2.435 195 V HA 0.425 4.544 4.120 -0.001 0.000 0.290 195 V C -0.648 175.620 176.094 0.290 0.000 1.030 195 V CA -0.897 61.547 62.300 0.241 0.000 0.881 195 V CB 0.972 32.925 31.823 0.218 0.000 0.983 195 V HN 0.617 nan 8.190 nan 0.000 0.445 196 Y N 1.505 121.950 120.300 0.242 0.000 2.602 196 Y HA 0.867 5.417 4.550 -0.001 0.000 0.342 196 Y C 0.881 176.859 175.900 0.129 0.000 1.029 196 Y CA -0.823 57.391 58.100 0.190 0.000 1.080 196 Y CB 1.753 40.326 38.460 0.187 0.000 1.284 196 Y HN 0.496 nan 8.280 nan 0.000 0.485 197 G N 0.474 109.461 108.800 0.311 0.000 2.762 197 G HA2 0.321 4.281 3.960 -0.001 0.000 0.209 197 G HA3 0.321 4.281 3.960 -0.001 0.000 0.209 197 G C -0.116 174.929 174.900 0.242 0.000 1.134 197 G CA -0.130 45.078 45.100 0.180 0.000 0.781 197 G HN 0.777 nan 8.290 nan 0.000 0.528 198 R N -0.203 120.500 120.500 0.337 0.000 2.710 198 R HA 0.660 5.000 4.340 -0.001 0.000 0.270 198 R C -1.523 174.845 176.300 0.113 0.000 1.021 198 R CA -0.994 55.238 56.100 0.220 0.000 0.889 198 R CB 1.012 31.381 30.300 0.115 0.000 1.243 198 R HN 0.194 nan 8.270 nan 0.000 0.464 199 E N 0.708 120.927 120.200 0.030 0.000 2.366 199 E HA 0.269 4.619 4.350 -0.001 0.000 0.278 199 E C -1.126 175.445 176.600 -0.050 0.000 0.923 199 E CA -1.150 55.188 56.400 -0.102 0.000 0.761 199 E CB 1.765 31.328 29.700 -0.229 0.000 1.231 199 E HN 0.482 nan 8.360 nan 0.000 0.443 200 E N 0.726 120.884 120.200 -0.070 0.000 2.414 200 E HA 0.219 4.568 4.350 -0.001 0.000 0.263 200 E C 0.978 177.556 176.600 -0.037 0.000 1.000 200 E CA 1.446 57.820 56.400 -0.044 0.000 0.914 200 E CB 1.031 30.700 29.700 -0.051 0.000 0.948 200 E HN 0.932 nan 8.360 nan 0.000 0.444 201 G N 3.541 112.329 108.800 -0.020 0.000 2.284 201 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.247 201 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.247 201 G C 0.487 175.386 174.900 -0.002 0.000 1.012 201 G CA 0.369 45.461 45.100 -0.014 0.000 0.618 201 G HN 0.524 nan 8.290 nan 0.000 0.521 202 N N 2.015 120.718 118.700 0.005 0.000 2.406 202 N HA 0.390 5.129 4.740 -0.001 0.000 0.251 202 N C 1.342 176.870 175.510 0.029 0.000 1.069 202 N CA 0.268 53.334 53.050 0.026 0.000 0.947 202 N CB 0.719 39.237 38.487 0.051 0.000 1.111 202 N HN 0.331 nan 8.380 nan 0.000 0.497 203 D N 1.162 121.575 120.400 0.022 0.000 2.350 203 D HA -0.100 4.539 4.640 -0.001 0.000 0.216 203 D C -0.420 175.894 176.300 0.023 0.000 0.968 203 D CA 0.560 54.572 54.000 0.018 0.000 0.894 203 D CB -0.420 40.387 40.800 0.012 0.000 0.909 203 D HN 0.326 nan 8.370 nan 0.000 0.520 204 T N 2.443 117.017 114.554 0.034 0.000 2.738 204 T HA 0.379 4.729 4.350 -0.001 0.000 0.294 204 T C 0.437 175.166 174.700 0.048 0.000 0.914 204 T CA -0.562 61.559 62.100 0.035 0.000 1.052 204 T CB 0.511 69.404 68.868 0.041 0.000 0.897 204 T HN 0.319 nan 8.240 nan 0.000 0.522 205 R N 1.806 122.326 120.500 0.033 0.000 2.709 205 R HA 0.448 4.787 4.340 -0.001 0.000 0.270 205 R C -3.603 172.709 176.300 0.020 0.000 1.038 205 R CA -2.125 53.999 56.100 0.040 0.000 0.872 205 R CB -0.249 30.082 30.300 0.051 0.000 1.259 205 R HN 0.194 nan 8.270 nan 0.000 0.473 206 P HA 0.006 nan 4.420 nan 0.000 0.266 206 P C 0.098 177.397 177.300 -0.002 0.000 1.193 206 P CA 0.136 63.241 63.100 0.009 0.000 0.770 206 P CB 0.571 32.295 31.700 0.040 0.000 0.836 207 S N 0.827 116.505 115.700 -0.035 0.000 2.701 207 S HA 0.228 4.698 4.470 -0.001 0.000 0.242 207 S C 1.186 175.737 174.600 -0.081 0.000 1.025 207 S CA -0.433 57.741 58.200 -0.044 0.000 1.016 207 S CB 0.212 63.385 63.200 -0.044 0.000 0.977 207 S HN 0.432 nan 8.310 nan 0.000 0.546 208 R N 0.109 120.528 120.500 -0.136 0.000 2.444 208 R HA 0.350 4.690 4.340 -0.001 0.000 0.201 208 R C -0.896 175.276 176.300 -0.213 0.000 0.861 208 R CA 0.073 56.010 56.100 -0.271 0.000 1.034 208 R CB 0.717 30.710 30.300 -0.511 0.000 1.347 208 R HN 0.454 nan 8.270 nan 0.000 0.659 209 Y N 2.285 122.583 120.300 -0.004 0.000 2.426 209 Y HA 0.427 4.977 4.550 -0.001 0.000 0.325 209 Y C -2.266 173.636 175.900 0.004 0.000 0.989 209 Y CA -2.816 55.286 58.100 0.003 0.000 1.284 209 Y CB 1.733 40.199 38.460 0.011 0.000 1.104 209 Y HN 0.051 nan 8.280 nan 0.000 0.481 210 P HA -0.100 nan 4.420 nan 0.000 0.264 210 P C -0.500 176.851 177.300 0.085 0.000 1.179 210 P CA 0.228 63.385 63.100 0.095 0.000 0.763 210 P CB 0.698 32.444 31.700 0.076 0.000 0.806 211 A N 3.884 126.749 122.820 0.075 0.000 2.404 211 A HA 0.117 4.437 4.320 -0.001 0.000 0.273 211 A C 1.248 178.876 177.584 0.073 0.000 1.144 211 A CA -0.260 51.822 52.037 0.076 0.000 0.806 211 A CB -0.035 19.021 19.000 0.094 0.000 1.080 211 A HN 0.520 nan 8.150 nan 0.000 0.509 212 R N 0.807 121.342 120.500 0.059 0.000 2.193 212 R HA -0.026 4.313 4.340 -0.001 0.000 0.213 212 R C 0.324 176.696 176.300 0.119 0.000 1.055 212 R CA 0.696 56.838 56.100 0.070 0.000 0.995 212 R CB 0.091 30.415 30.300 0.040 0.000 0.893 212 R HN 0.769 nan 8.270 nan 0.000 0.459 213 Q N 1.471 121.362 119.800 0.152 0.000 2.307 213 Q HA 0.133 4.473 4.340 -0.001 0.000 0.262 213 Q C -0.923 175.195 176.000 0.197 0.000 0.961 213 Q CA -0.363 55.557 55.803 0.195 0.000 0.882 213 Q CB 1.688 30.581 28.738 0.258 0.000 1.264 213 Q HN 0.097 nan 8.270 nan 0.000 0.446 214 T N 0.117 114.756 114.554 0.143 0.000 2.918 214 T HA 0.412 4.762 4.350 -0.001 0.000 0.286 214 T C 0.721 175.414 174.700 -0.012 0.000 1.026 214 T CA -0.816 61.324 62.100 0.068 0.000 1.031 214 T CB 1.548 70.422 68.868 0.010 0.000 1.046 214 T HN 0.781 nan 8.240 nan 0.000 0.479 215 R N 0.463 120.786 120.500 -0.295 0.000 2.096 215 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 215 R C 1.673 177.766 176.300 -0.345 0.000 1.127 215 R CA 1.704 57.453 56.100 -0.585 0.000 0.968 215 R CB -0.283 29.299 30.300 -1.195 0.000 0.861 215 R HN 0.787 nan 8.270 nan 0.000 0.440 216 E N 0.383 120.431 120.200 -0.253 0.000 2.118 216 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 216 E C 1.788 178.313 176.600 -0.125 0.000 0.992 216 E CA 1.651 57.936 56.400 -0.191 0.000 0.804 216 E CB -0.239 29.384 29.700 -0.129 0.000 0.741 216 E HN 0.476 nan 8.360 nan 0.000 0.458 217 A N 0.288 123.075 122.820 -0.055 0.000 1.873 217 A HA -0.157 4.163 4.320 -0.001 0.000 0.215 217 A C 2.345 179.952 177.584 0.039 0.000 1.186 217 A CA 1.694 53.736 52.037 0.008 0.000 0.616 217 A CB -0.657 18.378 19.000 0.059 0.000 0.823 217 A HN 0.206 nan 8.150 nan 0.000 0.442 218 S N 0.057 115.813 115.700 0.093 0.000 2.370 218 S HA -0.193 4.276 4.470 -0.001 0.000 0.226 218 S C 1.815 176.411 174.600 -0.006 0.000 1.033 218 S CA 1.600 59.925 58.200 0.208 0.000 1.011 218 S CB -0.379 63.101 63.200 0.467 0.000 0.852 218 S HN 0.682 nan 8.310 nan 0.000 0.457 219 E N 1.148 121.245 120.200 -0.171 0.000 2.153 219 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 219 E C 2.337 178.843 176.600 -0.157 0.000 0.988 219 E CA 0.969 57.192 56.400 -0.297 0.000 0.811 219 E CB -0.232 29.150 29.700 -0.530 0.000 0.746 219 E HN 0.535 nan 8.360 nan 0.000 0.466 220 A N 1.031 123.781 122.820 -0.116 0.000 1.929 220 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 220 A C 2.496 180.043 177.584 -0.061 0.000 1.176 220 A CA 0.834 52.822 52.037 -0.082 0.000 0.628 220 A CB -0.464 18.502 19.000 -0.057 0.000 0.816 220 A HN 0.092 nan 8.150 nan 0.000 0.444 221 V N -0.024 119.877 119.914 -0.022 0.000 2.358 221 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 221 V C 3.052 179.140 176.094 -0.009 0.000 1.047 221 V CA 1.805 64.124 62.300 0.032 0.000 1.035 221 V CB -1.201 30.724 31.823 0.170 0.000 0.658 221 V HN 0.601 nan 8.190 nan 0.000 0.452 222 A N -0.217 122.517 122.820 -0.143 0.000 1.908 222 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 222 A C 2.391 179.927 177.584 -0.081 0.000 1.181 222 A CA 2.098 54.034 52.037 -0.169 0.000 0.627 222 A CB -0.511 18.328 19.000 -0.269 0.000 0.818 222 A HN 0.492 nan 8.150 nan 0.000 0.445 223 R N -0.852 119.594 120.500 -0.090 0.000 2.070 223 R HA -0.023 4.317 4.340 -0.001 0.000 0.233 223 R C 2.143 178.353 176.300 -0.150 0.000 1.137 223 R CA 1.543 57.583 56.100 -0.101 0.000 0.945 223 R CB -0.500 29.742 30.300 -0.096 0.000 0.845 223 R HN 0.527 nan 8.270 nan 0.000 0.430 224 L N 0.830 121.950 121.223 -0.172 0.000 2.079 224 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 224 L C 1.381 178.032 176.870 -0.366 0.000 1.081 224 L CA 1.052 55.693 54.840 -0.332 0.000 0.752 224 L CB -0.351 41.535 42.059 -0.287 0.000 0.896 224 L HN 0.194 nan 8.230 nan 0.000 0.433 225 N N 0.356 118.968 118.700 -0.146 0.000 2.434 225 N HA -0.047 4.692 4.740 -0.001 0.000 0.196 225 N C -0.080 175.219 175.510 -0.351 0.000 1.183 225 N CA 0.163 53.148 53.050 -0.107 0.000 0.849 225 N CB 0.041 38.575 38.487 0.078 0.000 0.992 225 N HN 0.276 nan 8.380 nan 0.000 0.460 226 Q N -0.826 118.777 119.800 -0.329 0.000 2.435 226 Q HA -0.164 4.175 4.340 -0.001 0.000 0.312 226 Q C -0.807 175.113 176.000 -0.134 0.000 1.333 226 Q CA 0.237 55.885 55.803 -0.258 0.000 0.883 226 Q CB -1.829 26.685 28.738 -0.374 0.000 1.170 226 Q HN 0.081 nan 8.270 nan 0.000 0.443 227 V N 1.600 121.476 119.914 -0.064 0.000 2.555 227 V HA 0.060 4.179 4.120 -0.001 0.000 0.286 227 V C 0.948 177.045 176.094 0.005 0.000 1.044 227 V CA -0.428 61.876 62.300 0.007 0.000 1.026 227 V CB 1.282 33.145 31.823 0.066 0.000 0.981 227 V HN 0.367 nan 8.190 nan 0.000 0.480 228 N N 6.920 125.631 118.700 0.018 0.000 2.411 228 N HA 0.022 4.762 4.740 -0.001 0.000 0.265 228 N C -1.609 173.911 175.510 0.016 0.000 1.266 228 N CA -1.079 51.980 53.050 0.015 0.000 0.889 228 N CB 1.560 40.060 38.487 0.022 0.000 1.069 228 N HN 0.310 nan 8.380 nan 0.000 0.476 229 P HA -0.196 nan 4.420 nan 0.000 0.217 229 P C 0.939 178.251 177.300 0.021 0.000 1.148 229 P CA 1.505 64.618 63.100 0.023 0.000 0.834 229 P CB 0.116 31.828 31.700 0.019 0.000 0.783 230 Q N -0.629 119.179 119.800 0.014 0.000 2.425 230 Q HA -0.042 4.298 4.340 -0.001 0.000 0.204 230 Q C 1.069 177.070 176.000 0.001 0.000 0.933 230 Q CA 0.642 56.450 55.803 0.008 0.000 0.939 230 Q CB -0.301 28.442 28.738 0.008 0.000 1.044 230 Q HN 0.326 nan 8.270 nan 0.000 0.513 231 Q N 0.739 120.543 119.800 0.006 0.000 2.186 231 Q HA 0.338 4.678 4.340 -0.001 0.000 0.241 231 Q C -1.026 174.975 176.000 0.001 0.000 0.849 231 Q CA -0.244 55.562 55.803 0.005 0.000 1.053 231 Q CB 1.860 30.613 28.738 0.025 0.000 1.146 231 Q HN 0.153 nan 8.270 nan 0.000 0.475 232 V N 0.562 120.458 119.914 -0.031 0.000 2.841 232 V HA 0.594 4.714 4.120 -0.001 0.000 0.310 232 V C -1.690 174.294 176.094 -0.183 0.000 1.090 232 V CA -0.755 61.484 62.300 -0.101 0.000 0.930 232 V CB 2.122 33.846 31.823 -0.165 0.000 1.014 232 V HN 0.201 nan 8.190 nan 0.000 0.425 233 I N 5.957 126.368 120.570 -0.264 0.000 2.569 233 I HA 0.485 4.655 4.170 -0.001 0.000 0.290 233 I C -1.445 174.501 176.117 -0.286 0.000 1.088 233 I CA -0.337 60.843 61.300 -0.200 0.000 1.047 233 I CB 2.235 40.163 38.000 -0.120 0.000 1.237 233 I HN 0.484 nan 8.210 nan 0.000 0.421 234 F N 4.684 124.720 119.950 0.143 0.000 2.427 234 F HA 0.738 5.265 4.527 -0.000 0.000 0.346 234 F C 0.441 176.372 175.800 0.217 0.000 1.120 234 F CA -0.535 57.621 58.000 0.260 0.000 1.033 234 F CB 1.740 40.907 39.000 0.279 0.000 1.126 234 F HN 0.394 nan 8.300 nan 0.000 0.462 235 A N 3.374 126.340 122.820 0.245 0.000 2.386 235 A HA 0.605 4.925 4.320 -0.001 0.000 0.311 235 A C -0.988 176.357 177.584 -0.398 0.000 1.068 235 A CA -0.788 51.249 52.037 0.001 0.000 0.743 235 A CB 1.525 20.484 19.000 -0.068 0.000 1.258 235 A HN 0.731 nan 8.150 nan 0.000 0.429 236 Q N 1.385 120.880 119.800 -0.509 0.000 2.261 236 Q HA 0.416 4.756 4.340 -0.001 0.000 0.252 236 Q C -0.122 175.737 176.000 -0.236 0.000 0.915 236 Q CA -0.450 54.889 55.803 -0.772 0.000 0.915 236 Q CB 0.839 29.349 28.738 -0.380 0.000 1.204 236 Q HN 0.741 nan 8.270 nan 0.000 0.421 237 Q N 2.343 122.004 119.800 -0.232 0.000 2.421 237 Q HA 0.063 4.403 4.340 -0.001 0.000 0.255 237 Q C -0.777 175.128 176.000 -0.158 0.000 1.013 237 Q CA 0.008 55.694 55.803 -0.195 0.000 0.895 237 Q CB 0.676 29.306 28.738 -0.179 0.000 1.271 237 Q HN 0.656 nan 8.270 nan 0.000 0.460 238 N N 3.999 122.575 118.700 -0.207 0.000 2.438 238 N HA 0.055 4.795 4.740 -0.001 0.000 0.267 238 N C -1.938 173.498 175.510 -0.123 0.000 1.222 238 N CA -1.274 51.689 53.050 -0.145 0.000 0.930 238 N CB 0.862 39.241 38.487 -0.180 0.000 1.083 238 N HN 0.416 nan 8.380 nan 0.000 0.476 239 P HA -0.132 nan 4.420 nan 0.000 0.219 239 P C -0.044 177.218 177.300 -0.064 0.000 1.146 239 P CA 1.182 64.251 63.100 -0.050 0.000 0.808 239 P CB 0.382 32.068 31.700 -0.024 0.000 0.779 240 D N -0.230 120.122 120.400 -0.080 0.000 2.224 240 D HA -0.074 4.566 4.640 -0.001 0.000 0.205 240 D C 2.031 178.265 176.300 -0.111 0.000 0.965 240 D CA 0.565 54.513 54.000 -0.088 0.000 0.852 240 D CB -0.726 40.024 40.800 -0.083 0.000 0.947 240 D HN 0.069 nan 8.370 nan 0.000 0.494 241 V N 0.927 120.752 119.914 -0.149 0.000 2.591 241 V HA -0.111 4.009 4.120 -0.001 0.000 0.249 241 V C 2.180 178.192 176.094 -0.136 0.000 1.053 241 V CA 0.721 62.907 62.300 -0.191 0.000 1.068 241 V CB -0.159 31.488 31.823 -0.294 0.000 0.689 241 V HN 0.078 nan 8.190 nan 0.000 0.462 242 I N 0.034 120.547 120.570 -0.095 0.000 2.226 242 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 242 I C 2.010 178.190 176.117 0.106 0.000 1.100 242 I CA 1.743 63.032 61.300 -0.018 0.000 1.374 242 I CB -0.577 37.422 38.000 -0.002 0.000 1.057 242 I HN 0.291 nan 8.210 nan 0.000 0.413 243 D N 0.674 121.090 120.400 0.027 0.000 2.378 243 D HA -0.138 4.502 4.640 -0.001 0.000 0.222 243 D C 1.756 178.048 176.300 -0.014 0.000 0.980 243 D CA 0.915 54.884 54.000 -0.051 0.000 0.907 243 D CB -0.034 40.675 40.800 -0.152 0.000 0.899 243 D HN 0.553 nan 8.370 nan 0.000 0.527 244 Q N -0.992 118.838 119.800 0.049 0.000 2.282 244 Q HA 0.279 4.618 4.340 -0.001 0.000 0.206 244 Q C 1.065 177.123 176.000 0.097 0.000 0.878 244 Q CA 0.275 56.105 55.803 0.045 0.000 0.944 244 Q CB 1.386 30.092 28.738 -0.052 0.000 1.100 244 Q HN 0.248 nan 8.270 nan 0.000 0.509 245 G N 0.158 109.040 108.800 0.138 0.000 2.227 245 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.168 245 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.168 245 G C 0.048 174.783 174.900 -0.275 0.000 1.006 245 G CA -0.468 44.609 45.100 -0.037 0.000 0.684 245 G HN 0.139 nan 8.290 nan 0.000 0.489 246 V N 3.643 123.411 119.914 -0.243 0.000 2.276 246 V HA 0.350 4.470 4.120 -0.001 0.000 0.249 246 V C 1.413 177.336 176.094 -0.284 0.000 1.160 246 V CA 0.268 62.340 62.300 -0.379 0.000 1.042 246 V CB -1.090 30.543 31.823 -0.317 0.000 1.224 246 V HN 0.462 nan 8.190 nan 0.000 0.496 247 F N 0.916 120.724 119.950 -0.236 0.000 2.780 247 F HA 0.352 4.879 4.527 -0.001 0.000 0.299 247 F C 0.733 176.196 175.800 -0.562 0.000 1.146 247 F CA -0.576 57.202 58.000 -0.370 0.000 1.428 247 F CB -0.896 37.836 39.000 -0.446 0.000 1.115 247 F HN 0.435 nan 8.300 nan 0.000 0.583 248 H N -1.527 117.586 119.070 0.071 0.000 3.012 248 H HA 0.232 4.788 4.556 -0.001 0.000 0.367 248 H C 0.335 175.614 175.328 -0.081 0.000 1.211 248 H CA -0.764 55.330 56.048 0.076 0.000 1.139 248 H CB 1.128 30.998 29.762 0.180 0.000 1.838 248 H HN -0.178 nan 8.280 nan 0.000 0.550 249 N N 0.790 119.546 118.700 0.092 0.000 2.205 249 N HA -0.173 4.567 4.740 -0.001 0.000 0.186 249 N C 0.958 176.437 175.510 -0.052 0.000 1.015 249 N CA 1.600 54.628 53.050 -0.036 0.000 0.862 249 N CB 0.087 38.596 38.487 0.035 0.000 0.986 249 N HN 0.694 nan 8.380 nan 0.000 0.429 250 D N -0.830 119.583 120.400 0.022 0.000 2.348 250 D HA -0.045 4.595 4.640 -0.001 0.000 0.248 250 D C 0.703 176.978 176.300 -0.041 0.000 1.142 250 D CA 0.200 54.215 54.000 0.025 0.000 0.904 250 D CB -0.146 40.694 40.800 0.067 0.000 0.901 250 D HN 0.172 nan 8.370 nan 0.000 0.523 251 V N -0.493 119.324 119.914 -0.163 0.000 3.556 251 V HA 0.216 4.336 4.120 -0.001 0.000 0.287 251 V C 1.167 177.120 176.094 -0.234 0.000 1.422 251 V CA -0.015 62.094 62.300 -0.318 0.000 1.038 251 V CB 0.409 31.890 31.823 -0.568 0.000 0.850 251 V HN 0.158 nan 8.190 nan 0.000 0.437 252 I N -0.230 120.161 120.570 -0.298 0.000 4.557 252 I HA 0.734 4.903 4.170 -0.001 0.000 0.333 252 I C 0.294 175.795 176.117 -1.025 0.000 1.332 252 I CA 0.340 61.267 61.300 -0.622 0.000 1.240 252 I CB 0.945 38.587 38.000 -0.597 0.000 1.312 252 I HN 0.114 nan 8.210 nan 0.000 0.457 253 A N -0.348 122.203 122.820 -0.450 0.000 2.599 253 A HA 0.771 5.091 4.320 -0.001 0.000 0.294 253 A C -1.911 175.726 177.584 0.089 0.000 1.055 253 A CA -0.342 51.553 52.037 -0.236 0.000 0.683 253 A CB 1.449 20.370 19.000 -0.131 0.000 1.278 253 A HN 0.140 nan 8.150 nan 0.000 0.412 254 V N 1.346 121.395 119.914 0.224 0.000 2.932 254 V HA 0.836 4.956 4.120 -0.001 0.000 0.307 254 V C -0.403 175.841 176.094 0.251 0.000 1.147 254 V CA 0.383 62.829 62.300 0.242 0.000 0.951 254 V CB 2.352 34.358 31.823 0.303 0.000 1.031 254 V HN 2.038 nan 8.190 nan 0.000 0.426 255 S N 4.237 120.046 115.700 0.182 0.000 2.648 255 S HA 0.853 5.323 4.470 -0.001 0.000 0.305 255 S C -0.804 173.892 174.600 0.160 0.000 1.094 255 S CA -0.703 57.598 58.200 0.168 0.000 0.983 255 S CB 1.925 65.190 63.200 0.108 0.000 1.101 255 S HN 1.253 nan 8.310 nan 0.000 0.514 256 N N -0.138 118.655 118.700 0.155 0.000 2.999 256 N HA 0.303 5.043 4.740 -0.001 0.000 0.244 256 N C -0.251 175.319 175.510 0.100 0.000 1.106 256 N CA -0.170 52.981 53.050 0.168 0.000 1.018 256 N CB 0.831 39.419 38.487 0.168 0.000 1.600 256 N HN 0.934 nan 8.380 nan 0.000 0.621 257 R N 0.034 120.574 120.500 0.067 0.000 3.943 257 R HA -0.286 4.054 4.340 -0.001 0.000 0.368 257 R C 0.575 176.882 176.300 0.012 0.000 0.242 257 R CA 2.209 58.269 56.100 -0.066 0.000 1.197 257 R CB -1.101 29.086 30.300 -0.188 0.000 0.990 257 R HN 0.775 nan 8.270 nan 0.000 0.565 258 Q N 1.727 121.527 119.800 0.001 0.000 2.319 258 Q HA 0.186 4.525 4.340 -0.001 0.000 0.202 258 Q C -0.008 176.054 176.000 0.103 0.000 0.896 258 Q CA 0.562 56.410 55.803 0.076 0.000 0.942 258 Q CB 0.853 29.601 28.738 0.016 0.000 1.083 258 Q HN 0.274 nan 8.270 nan 0.000 0.510 259 V N 2.146 122.103 119.914 0.072 0.000 2.472 259 V HA 0.383 4.503 4.120 -0.001 0.000 0.290 259 V C -0.651 175.549 176.094 0.177 0.000 1.037 259 V CA -0.905 61.430 62.300 0.059 0.000 0.908 259 V CB 1.582 33.422 31.823 0.027 0.000 0.985 259 V HN 0.321 nan 8.190 nan 0.000 0.454 260 L N 5.660 127.010 121.223 0.212 0.000 2.388 260 L HA 0.550 4.890 4.340 -0.001 0.000 0.267 260 L C -1.088 175.983 176.870 0.334 0.000 0.995 260 L CA -0.211 54.808 54.840 0.298 0.000 0.864 260 L CB 1.038 43.337 42.059 0.400 0.000 1.216 260 L HN 0.537 nan 8.230 nan 0.000 0.430 261 F N 6.606 126.672 119.950 0.194 0.000 2.375 261 F HA 0.598 5.125 4.527 -0.000 0.000 0.362 261 F C 0.069 176.085 175.800 0.359 0.000 1.129 261 F CA -1.039 57.122 58.000 0.269 0.000 1.154 261 F CB 0.098 39.257 39.000 0.265 0.000 1.205 261 F HN 0.717 nan 8.300 nan 0.000 0.513 262 C N 4.876 124.189 119.300 0.023 0.000 3.171 262 C HA 0.541 5.001 4.460 -0.001 0.000 0.308 262 C C -0.356 174.375 174.990 -0.432 0.000 1.334 262 C CA -0.905 57.894 59.018 -0.366 0.000 1.473 262 C CB 1.540 29.265 27.740 -0.026 0.000 1.866 262 C HN 0.842 nan 8.230 nan 0.000 0.465 263 H N 1.173 119.686 119.070 -0.929 0.000 2.551 263 H HA 0.232 4.788 4.556 -0.001 0.000 0.358 263 H C 1.169 176.348 175.328 -0.250 0.000 1.151 263 H CA 0.946 56.706 56.048 -0.480 0.000 1.374 263 H CB 1.608 31.026 29.762 -0.573 0.000 1.473 263 H HN 0.950 nan 8.280 nan 0.000 0.574 264 Q N 2.033 121.922 119.800 0.147 0.000 2.226 264 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 264 Q C 0.464 176.560 176.000 0.159 0.000 0.975 264 Q CA 1.383 57.272 55.803 0.144 0.000 0.866 264 Q CB 0.024 28.797 28.738 0.058 0.000 0.915 264 Q HN 0.650 nan 8.270 nan 0.000 0.440 265 Q N -0.112 119.813 119.800 0.208 0.000 2.212 265 Q HA 0.328 4.668 4.340 -0.001 0.000 0.213 265 Q C 1.219 177.044 176.000 -0.292 0.000 0.874 265 Q CA 0.170 55.901 55.803 -0.119 0.000 0.965 265 Q CB 0.688 29.278 28.738 -0.247 0.000 1.074 265 Q HN 0.483 nan 8.270 nan 0.000 0.473 266 A N 0.593 123.222 122.820 -0.318 0.000 1.854 266 A HA 0.011 4.331 4.320 -0.001 0.000 0.214 266 A C 0.371 177.445 177.584 -0.850 0.000 1.192 266 A CA 0.955 52.590 52.037 -0.670 0.000 0.611 266 A CB 0.105 18.617 19.000 -0.814 0.000 0.832 266 A HN 0.280 nan 8.150 nan 0.000 0.442 267 F N -2.681 117.195 119.950 -0.123 0.000 2.492 267 F HA 0.613 5.140 4.527 -0.001 0.000 0.327 267 F C 1.357 177.106 175.800 -0.084 0.000 1.079 267 F CA -0.439 57.496 58.000 -0.108 0.000 0.967 267 F CB 1.501 40.446 39.000 -0.093 0.000 1.169 267 F HN 0.163 nan 8.300 nan 0.000 0.472 268 A N 2.319 125.188 122.820 0.082 0.000 1.859 268 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 268 A C 1.485 179.102 177.584 0.055 0.000 1.198 268 A CA 1.475 53.533 52.037 0.035 0.000 0.629 268 A CB -0.397 18.614 19.000 0.019 0.000 0.830 268 A HN 0.754 nan 8.150 nan 0.000 0.446 269 R N -0.731 119.811 120.500 0.071 0.000 3.472 269 R HA 0.245 4.585 4.340 -0.001 0.000 0.322 269 R C 1.066 177.398 176.300 0.053 0.000 1.330 269 R CA -0.087 56.044 56.100 0.051 0.000 1.387 269 R CB 0.223 30.544 30.300 0.035 0.000 1.446 269 R HN 0.713 nan 8.270 nan 0.000 0.628 270 Q N 0.357 120.215 119.800 0.095 0.000 2.029 270 Q HA -0.281 4.059 4.340 -0.001 0.000 0.209 270 Q C 1.925 177.952 176.000 0.044 0.000 0.999 270 Q CA 2.522 58.387 55.803 0.104 0.000 0.857 270 Q CB -0.025 28.808 28.738 0.158 0.000 0.926 270 Q HN 0.397 nan 8.270 nan 0.000 0.415 271 S N -0.355 115.373 115.700 0.046 0.000 2.368 271 S HA -0.302 4.168 4.470 -0.001 0.000 0.226 271 S C 1.843 176.454 174.600 0.018 0.000 1.044 271 S CA 2.074 60.296 58.200 0.036 0.000 1.062 271 S CB -0.270 62.950 63.200 0.033 0.000 0.931 271 S HN 0.542 nan 8.310 nan 0.000 0.440 272 Q N 0.086 119.891 119.800 0.009 0.000 2.084 272 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 272 Q C 2.291 178.269 176.000 -0.038 0.000 0.978 272 Q CA 1.420 57.219 55.803 -0.006 0.000 0.844 272 Q CB -0.466 28.273 28.738 0.000 0.000 0.898 272 Q HN 0.529 nan 8.270 nan 0.000 0.426 273 L N 1.119 122.302 121.223 -0.067 0.000 1.994 273 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 273 L C 2.026 178.795 176.870 -0.169 0.000 1.071 273 L CA 1.670 56.419 54.840 -0.151 0.000 0.745 273 L CB -0.585 41.315 42.059 -0.265 0.000 0.892 273 L HN 0.200 nan 8.230 nan 0.000 0.431 274 L N -0.476 120.692 121.223 -0.092 0.000 2.042 274 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 274 L C 2.711 179.595 176.870 0.024 0.000 1.076 274 L CA 1.317 56.161 54.840 0.007 0.000 0.749 274 L CB -1.058 41.084 42.059 0.139 0.000 0.893 274 L HN 0.428 nan 8.230 nan 0.000 0.432 275 A N 0.117 122.948 122.820 0.018 0.000 1.908 275 A HA -0.298 4.022 4.320 -0.001 0.000 0.218 275 A C 2.096 179.664 177.584 -0.027 0.000 1.181 275 A CA 2.309 54.360 52.037 0.023 0.000 0.627 275 A CB -0.996 18.014 19.000 0.016 0.000 0.818 275 A HN 0.587 nan 8.150 nan 0.000 0.445 276 N N -0.867 117.788 118.700 -0.075 0.000 2.120 276 N HA -0.155 4.585 4.740 -0.001 0.000 0.188 276 N C 1.602 177.004 175.510 -0.179 0.000 1.024 276 N CA 1.225 54.213 53.050 -0.103 0.000 0.852 276 N CB -0.132 38.292 38.487 -0.106 0.000 1.003 276 N HN 0.274 nan 8.380 nan 0.000 0.424 277 L N 1.694 122.718 121.223 -0.331 0.000 2.083 277 L HA -0.055 4.285 4.340 -0.001 0.000 0.209 277 L C 2.385 178.976 176.870 -0.465 0.000 1.083 277 L CA 1.320 55.791 54.840 -0.615 0.000 0.752 277 L CB -0.918 40.379 42.059 -1.270 0.000 0.899 277 L HN 0.146 nan 8.230 nan 0.000 0.433 278 R N -1.002 119.408 120.500 -0.150 0.000 2.091 278 R HA -0.158 4.182 4.340 -0.001 0.000 0.238 278 R C 2.159 178.499 176.300 0.066 0.000 1.136 278 R CA 1.423 57.641 56.100 0.198 0.000 0.959 278 R CB -0.429 30.006 30.300 0.225 0.000 0.856 278 R HN 0.389 nan 8.270 nan 0.000 0.437 279 A N 0.582 123.401 122.820 -0.002 0.000 2.014 279 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 279 A C 1.867 179.440 177.584 -0.019 0.000 1.163 279 A CA 0.910 52.944 52.037 -0.004 0.000 0.652 279 A CB -0.049 18.944 19.000 -0.013 0.000 0.808 279 A HN 0.198 nan 8.150 nan 0.000 0.449 280 R N -1.221 119.244 120.500 -0.057 0.000 2.254 280 R HA 0.196 4.536 4.340 -0.001 0.000 0.193 280 R C -0.605 175.668 176.300 -0.045 0.000 0.929 280 R CA 0.252 56.319 56.100 -0.055 0.000 1.038 280 R CB 0.509 30.759 30.300 -0.083 0.000 1.009 280 R HN 0.272 nan 8.270 nan 0.000 0.512 281 V N 2.324 122.209 119.914 -0.048 0.000 2.334 281 V HA 0.155 4.275 4.120 -0.001 0.000 0.281 281 V C -0.264 175.881 176.094 0.086 0.000 1.016 281 V CA -0.892 61.413 62.300 0.008 0.000 0.832 281 V CB 1.234 33.050 31.823 -0.013 0.000 0.999 281 V HN 0.215 nan 8.190 nan 0.000 0.439 282 N N 3.575 122.309 118.700 0.057 0.000 2.411 282 N HA 0.274 5.014 4.740 -0.001 0.000 0.261 282 N C 1.285 176.832 175.510 0.063 0.000 1.248 282 N CA 0.878 53.961 53.050 0.055 0.000 0.885 282 N CB 0.532 39.039 38.487 0.033 0.000 1.062 282 N HN 1.119 nan 8.380 nan 0.000 0.471 283 G N 2.517 111.353 108.800 0.059 0.000 2.168 283 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.263 283 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.263 283 G C 0.229 175.153 174.900 0.040 0.000 0.977 283 G CA 0.157 45.274 45.100 0.028 0.000 0.659 283 G HN 0.621 nan 8.290 nan 0.000 0.533 287 I N 2.648 123.287 120.570 0.114 0.000 2.347 287 I HA 0.254 4.423 4.170 -0.001 0.000 0.283 287 I C 0.097 176.404 176.117 0.317 0.000 1.058 287 I CA -0.064 61.373 61.300 0.228 0.000 1.202 287 I CB 1.187 39.373 38.000 0.310 0.000 1.386 287 I HN 0.649 nan 8.210 nan 0.000 0.475 288 E N 5.041 125.358 120.200 0.196 0.000 2.200 288 E HA 0.323 4.673 4.350 -0.001 0.000 0.283 288 E C -0.783 175.884 176.600 0.110 0.000 1.015 288 E CA -0.580 55.897 56.400 0.128 0.000 0.819 288 E CB 2.468 32.216 29.700 0.079 0.000 1.081 288 E HN 0.271 nan 8.360 nan 0.000 0.397 289 V N 6.664 126.575 119.914 -0.006 0.000 2.348 289 V HA 0.182 4.301 4.120 -0.001 0.000 0.270 289 V C -1.856 174.008 176.094 -0.383 0.000 1.037 289 V CA -1.750 60.432 62.300 -0.197 0.000 0.872 289 V CB 0.644 32.255 31.823 -0.354 0.000 1.002 289 V HN 0.579 nan 8.190 nan 0.000 0.464 290 P HA 0.112 nan 4.420 nan 0.000 0.271 290 P C 0.612 177.761 177.300 -0.251 0.000 1.216 290 P CA -0.074 62.915 63.100 -0.184 0.000 0.776 290 P CB 1.417 33.081 31.700 -0.060 0.000 0.881 291 A N 3.434 126.174 122.820 -0.132 0.000 1.978 291 A HA -0.157 4.163 4.320 -0.001 0.000 0.220 291 A C 2.114 179.691 177.584 -0.012 0.000 1.170 291 A CA 2.182 54.215 52.037 -0.005 0.000 0.636 291 A CB -1.855 17.219 19.000 0.124 0.000 0.810 291 A HN 0.579 nan 8.150 nan 0.000 0.448 292 T N 0.304 114.847 114.554 -0.018 0.000 2.665 292 T HA -0.231 4.119 4.350 -0.001 0.000 0.268 292 T C 2.046 176.744 174.700 -0.004 0.000 1.035 292 T CA 1.906 64.006 62.100 -0.000 0.000 1.151 292 T CB -0.286 68.585 68.868 0.005 0.000 0.862 292 T HN 0.685 nan 8.240 nan 0.000 0.438 293 Q N 0.002 119.780 119.800 -0.038 0.000 2.096 293 Q HA 0.090 4.430 4.340 -0.001 0.000 0.197 293 Q C 0.257 176.223 176.000 -0.056 0.000 0.964 293 Q CA 0.798 56.581 55.803 -0.033 0.000 0.838 293 Q CB 0.255 28.971 28.738 -0.036 0.000 0.906 293 Q HN 0.309 nan 8.270 nan 0.000 0.444 294 V N 1.628 121.463 119.914 -0.132 0.000 2.524 294 V HA 0.172 4.292 4.120 -0.001 0.000 0.297 294 V C -0.134 175.980 176.094 0.035 0.000 1.035 294 V CA -0.743 61.519 62.300 -0.063 0.000 0.867 294 V CB 1.675 33.398 31.823 -0.167 0.000 1.004 294 V HN 0.263 nan 8.190 nan 0.000 0.426 295 S N 3.913 119.669 115.700 0.093 0.000 2.624 295 S HA 0.367 4.837 4.470 -0.001 0.000 0.263 295 S C 1.166 175.854 174.600 0.146 0.000 1.287 295 S CA -0.218 58.062 58.200 0.133 0.000 0.990 295 S CB 1.594 64.835 63.200 0.068 0.000 0.950 295 S HN 0.389 nan 8.310 nan 0.000 0.561 296 V N 1.565 121.507 119.914 0.048 0.000 2.343 296 V HA -0.124 3.995 4.120 -0.001 0.000 0.247 296 V C 2.960 179.023 176.094 -0.051 0.000 1.051 296 V CA 2.220 64.462 62.300 -0.096 0.000 1.036 296 V CB -1.378 30.327 31.823 -0.197 0.000 0.654 296 V HN 1.030 nan 8.190 nan 0.000 0.451 297 S N 0.217 115.901 115.700 -0.028 0.000 2.359 297 S HA -0.264 4.206 4.470 -0.001 0.000 0.224 297 S C 1.751 176.329 174.600 -0.036 0.000 1.035 297 S CA 2.120 60.306 58.200 -0.024 0.000 1.018 297 S CB -0.490 62.706 63.200 -0.007 0.000 0.876 297 S HN 0.689 nan 8.310 nan 0.000 0.448 298 D N 0.645 121.022 120.400 -0.038 0.000 2.144 298 D HA -0.057 4.583 4.640 -0.001 0.000 0.199 298 D C 2.094 178.343 176.300 -0.086 0.000 0.984 298 D CA 1.555 55.479 54.000 -0.128 0.000 0.834 298 D CB -1.164 39.591 40.800 -0.075 0.000 0.955 298 D HN 0.428 nan 8.370 nan 0.000 0.465 299 T N 0.742 115.296 114.554 -0.001 0.000 2.708 299 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 299 T C 2.261 176.946 174.700 -0.024 0.000 1.037 299 T CA 0.890 63.015 62.100 0.042 0.000 1.146 299 T CB -0.347 68.608 68.868 0.145 0.000 0.865 299 T HN -0.007 nan 8.240 nan 0.000 0.435 300 V N 2.140 122.016 119.914 -0.063 0.000 2.427 300 V HA -0.145 3.975 4.120 -0.001 0.000 0.248 300 V C 2.755 178.901 176.094 0.087 0.000 1.051 300 V CA 1.931 64.179 62.300 -0.087 0.000 1.048 300 V CB -0.781 30.988 31.823 -0.089 0.000 0.666 300 V HN 0.639 nan 8.190 nan 0.000 0.456 301 S N 0.429 116.162 115.700 0.056 0.000 2.414 301 S HA -0.147 4.322 4.470 -0.001 0.000 0.227 301 S C 1.955 176.624 174.600 0.115 0.000 1.022 301 S CA 1.370 59.616 58.200 0.077 0.000 0.958 301 S CB -0.517 62.676 63.200 -0.012 0.000 0.797 301 S HN 0.721 nan 8.310 nan 0.000 0.493 302 T N -3.985 110.622 114.554 0.089 0.000 3.044 302 T HA 0.156 4.505 4.350 -0.001 0.000 0.255 302 T C 0.335 175.196 174.700 0.269 0.000 1.073 302 T CA 0.142 62.313 62.100 0.118 0.000 1.125 302 T CB -0.723 68.170 68.868 0.042 0.000 0.908 302 T HN 0.262 nan 8.240 nan 0.000 0.480 303 Y N 0.178 120.480 120.300 0.004 0.000 3.790 303 Y HA -0.165 4.384 4.550 -0.000 0.000 0.226 303 Y C 1.154 177.078 175.900 0.040 0.000 1.257 303 Y CA -0.184 57.932 58.100 0.026 0.000 1.765 303 Y CB -2.336 36.147 38.460 0.037 0.000 1.552 303 Y HN 0.356 nan 8.280 nan 0.000 0.650 304 L N -0.769 120.492 121.223 0.064 0.000 2.043 304 L HA -0.170 4.170 4.340 -0.001 0.000 0.212 304 L C 1.821 178.596 176.870 -0.159 0.000 1.075 304 L CA 2.277 57.075 54.840 -0.070 0.000 0.752 304 L CB -0.600 41.304 42.059 -0.258 0.000 0.891 304 L HN 0.270 nan 8.230 nan 0.000 0.432 305 F N -0.961 119.001 119.950 0.020 0.000 2.797 305 F HA 0.123 4.650 4.527 -0.000 0.000 0.302 305 F C 1.740 177.552 175.800 0.020 0.000 1.130 305 F CA 0.226 58.221 58.000 -0.008 0.000 1.387 305 F CB -0.372 38.535 39.000 -0.156 0.000 1.107 305 F HN 0.235 nan 8.300 nan 0.000 0.577 306 N N 0.846 119.641 118.700 0.159 0.000 2.378 306 N HA 0.005 4.745 4.740 -0.001 0.000 0.243 306 N C -0.183 175.452 175.510 0.210 0.000 1.137 306 N CA -0.059 53.092 53.050 0.169 0.000 0.862 306 N CB 0.224 38.844 38.487 0.222 0.000 1.116 306 N HN 0.148 nan 8.380 nan 0.000 0.499 307 S N -0.526 115.296 115.700 0.203 0.000 2.687 307 S HA 0.349 4.818 4.470 -0.001 0.000 0.283 307 S C -0.131 174.565 174.600 0.161 0.000 1.170 307 S CA -0.742 57.568 58.200 0.183 0.000 1.008 307 S CB 1.895 65.203 63.200 0.180 0.000 1.026 307 S HN 0.169 nan 8.310 nan 0.000 0.541 308 Q N 0.508 120.376 119.800 0.114 0.000 2.278 308 Q HA 0.457 4.796 4.340 -0.001 0.000 0.257 308 Q C -1.348 174.684 176.000 0.054 0.000 0.928 308 Q CA -0.697 55.151 55.803 0.075 0.000 0.932 308 Q CB 1.472 30.220 28.738 0.016 0.000 1.221 308 Q HN 0.561 nan 8.270 nan 0.000 0.434 309 L N 5.076 126.346 121.223 0.078 0.000 2.272 309 L HA 0.368 4.708 4.340 -0.001 0.000 0.284 309 L C -1.324 175.583 176.870 0.063 0.000 1.045 309 L CA -0.001 54.877 54.840 0.064 0.000 0.842 309 L CB 0.312 42.436 42.059 0.109 0.000 1.224 309 L HN 0.528 nan 8.230 nan 0.000 0.430 310 L N 2.743 123.967 121.223 0.000 0.000 2.375 310 L HA 0.602 4.942 4.340 -0.001 0.000 0.268 310 L C 0.388 177.375 176.870 0.196 0.000 1.058 310 L CA -0.575 54.286 54.840 0.036 0.000 0.803 310 L CB 1.529 43.356 42.059 -0.387 0.000 1.212 310 L HN 0.467 nan 8.230 nan 0.000 0.451 311 S N 0.313 116.228 115.700 0.359 0.000 2.482 311 S HA 0.581 5.051 4.470 -0.001 0.000 0.303 311 S C -0.384 174.393 174.600 0.295 0.000 1.091 311 S CA -0.753 57.614 58.200 0.279 0.000 1.057 311 S CB 1.804 65.116 63.200 0.187 0.000 1.031 311 S HN 0.468 nan 8.310 nan 0.000 0.485 312 R N 0.769 121.353 120.500 0.141 0.000 2.608 312 R HA 0.338 4.678 4.340 -0.001 0.000 0.255 312 R C 0.144 176.419 176.300 -0.041 0.000 1.086 312 R CA -0.829 55.267 56.100 -0.006 0.000 1.125 312 R CB 0.336 30.636 30.300 -0.001 0.000 1.193 312 R HN 0.499 nan 8.270 nan 0.000 0.553 313 D N 0.919 121.259 120.400 -0.099 0.000 2.178 313 D HA -0.150 4.489 4.640 -0.001 0.000 0.202 313 D C 1.010 177.294 176.300 -0.026 0.000 0.974 313 D CA 1.355 55.313 54.000 -0.070 0.000 0.841 313 D CB -0.176 40.565 40.800 -0.099 0.000 0.953 313 D HN 0.548 nan 8.370 nan 0.000 0.478 314 D N -0.800 119.583 120.400 -0.029 0.000 2.363 314 D HA 0.062 4.702 4.640 -0.001 0.000 0.226 314 D C 1.573 177.864 176.300 -0.015 0.000 1.020 314 D CA 0.865 54.855 54.000 -0.017 0.000 0.892 314 D CB -0.127 40.661 40.800 -0.020 0.000 0.900 314 D HN 0.263 nan 8.370 nan 0.000 0.531 315 G N 0.025 108.815 108.800 -0.017 0.000 2.213 315 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.236 315 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.236 315 G C 0.546 175.430 174.900 -0.026 0.000 0.991 315 G CA 0.420 45.501 45.100 -0.032 0.000 0.629 315 G HN 0.783 nan 8.290 nan 0.000 0.517 320 V N 4.764 124.717 119.914 0.066 0.000 2.364 320 V HA 0.492 4.612 4.120 -0.001 0.000 0.272 320 V C -0.091 176.114 176.094 0.186 0.000 1.036 320 V CA -0.188 62.204 62.300 0.154 0.000 0.880 320 V CB 1.338 33.235 31.823 0.125 0.000 0.991 320 V HN 0.407 nan 8.190 nan 0.000 0.460 321 L N 7.619 128.978 121.223 0.226 0.000 2.323 321 L HA 0.711 5.050 4.340 -0.001 0.000 0.265 321 L C -2.441 174.568 176.870 0.231 0.000 1.012 321 L CA -1.902 53.070 54.840 0.220 0.000 0.820 321 L CB 2.152 44.346 42.059 0.225 0.000 1.334 321 L HN 0.356 nan 8.230 nan 0.000 0.427 322 P HA 0.149 nan 4.420 nan 0.000 0.279 322 P C -0.324 177.050 177.300 0.123 0.000 1.252 322 P CA -0.459 62.741 63.100 0.165 0.000 0.811 322 P CB 1.160 32.943 31.700 0.138 0.000 1.035 323 Q N 0.310 120.159 119.800 0.081 0.000 2.217 323 Q HA -0.237 4.103 4.340 -0.001 0.000 0.209 323 Q C 1.496 177.512 176.000 0.026 0.000 0.988 323 Q CA 1.879 57.695 55.803 0.022 0.000 0.878 323 Q CB -0.180 28.562 28.738 0.007 0.000 0.909 323 Q HN 0.492 nan 8.270 nan 0.000 0.424 324 E N -0.631 119.606 120.200 0.061 0.000 2.209 324 E HA -0.186 4.164 4.350 -0.001 0.000 0.196 324 E C 1.768 178.444 176.600 0.127 0.000 0.993 324 E CA 1.027 57.474 56.400 0.078 0.000 0.819 324 E CB -0.282 29.463 29.700 0.074 0.000 0.745 324 E HN 0.356 nan 8.360 nan 0.000 0.477 325 C N -0.158 119.237 119.300 0.159 0.000 2.446 325 C HA 0.042 4.502 4.460 -0.001 0.000 0.279 325 C C 2.507 177.682 174.990 0.309 0.000 1.366 325 C CA 0.421 59.595 59.018 0.259 0.000 1.763 325 C CB -0.621 27.296 27.740 0.296 0.000 1.929 325 C HN 0.390 nan 8.230 nan 0.000 0.509 326 R N 0.989 121.518 120.500 0.048 0.000 2.127 326 R HA -0.027 4.312 4.340 -0.001 0.000 0.217 326 R C 1.815 177.979 176.300 -0.227 0.000 1.074 326 R CA 0.961 56.827 56.100 -0.389 0.000 0.991 326 R CB -0.127 29.733 30.300 -0.733 0.000 0.895 326 R HN 0.568 nan 8.270 nan 0.000 0.450 327 E N -0.775 119.389 120.200 -0.059 0.000 2.418 327 E HA -0.138 4.212 4.350 -0.001 0.000 0.197 327 E C -0.340 176.318 176.600 0.097 0.000 1.026 327 E CA 0.338 56.735 56.400 -0.006 0.000 0.862 327 E CB 0.073 29.787 29.700 0.024 0.000 0.799 327 E HN 0.269 nan 8.360 nan 0.000 0.518 328 H N -0.223 118.885 119.070 0.063 0.000 2.685 328 H HA 0.338 4.894 4.556 -0.001 0.000 0.286 328 H C 0.719 176.139 175.328 0.153 0.000 1.102 328 H CA -0.208 55.901 56.048 0.100 0.000 1.254 328 H CB 0.863 30.693 29.762 0.114 0.000 1.397 328 H HN 0.008 nan 8.280 nan 0.000 0.473 329 A N 3.860 126.564 122.820 -0.194 0.000 1.903 329 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 329 A C 2.481 179.999 177.584 -0.110 0.000 1.191 329 A CA 2.005 53.985 52.037 -0.095 0.000 0.638 329 A CB -1.278 17.660 19.000 -0.103 0.000 0.823 329 A HN 0.845 nan 8.150 nan 0.000 0.451 330 G N -1.029 107.520 108.800 -0.418 0.000 2.421 330 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.216 330 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.216 330 G C 1.536 176.513 174.900 0.128 0.000 1.171 330 G CA 1.295 46.313 45.100 -0.136 0.000 0.775 330 G HN 0.361 nan 8.290 nan 0.000 0.543 331 V N -0.241 119.877 119.914 0.340 0.000 2.323 331 V HA -0.097 4.023 4.120 -0.001 0.000 0.244 331 V C 2.260 178.545 176.094 0.319 0.000 1.041 331 V CA 1.509 64.040 62.300 0.384 0.000 1.025 331 V CB -0.548 31.541 31.823 0.443 0.000 0.656 331 V HN 0.630 nan 8.190 nan 0.000 0.451 332 W N 1.092 122.463 121.300 0.118 0.000 2.342 332 W HA -0.159 4.501 4.660 -0.001 0.000 0.297 332 W C 2.141 178.686 176.519 0.044 0.000 1.213 332 W CA 1.562 58.947 57.345 0.066 0.000 1.251 332 W CB -0.365 29.114 29.460 0.032 0.000 1.136 332 W HN 0.375 nan 8.180 nan 0.000 0.526 333 G N -0.426 108.426 108.800 0.087 0.000 2.421 333 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.216 333 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.216 333 G C 1.223 176.077 174.900 -0.076 0.000 1.171 333 G CA 1.203 46.293 45.100 -0.016 0.000 0.775 333 G HN 0.411 nan 8.290 nan 0.000 0.543 334 Y N 0.825 121.076 120.300 -0.081 0.000 2.181 334 Y HA -0.090 4.460 4.550 -0.001 0.000 0.288 334 Y C 2.559 178.364 175.900 -0.158 0.000 1.146 334 Y CA 1.051 59.104 58.100 -0.078 0.000 1.164 334 Y CB -0.170 38.283 38.460 -0.011 0.000 0.982 334 Y HN 0.039 nan 8.280 nan 0.000 0.515 335 L N 0.800 121.861 121.223 -0.270 0.000 2.042 335 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 335 L C 2.018 178.536 176.870 -0.586 0.000 1.076 335 L CA 1.747 56.310 54.840 -0.462 0.000 0.749 335 L CB -1.583 40.179 42.059 -0.495 0.000 0.893 335 L HN 0.411 nan 8.230 nan 0.000 0.432 336 N N -0.212 118.107 118.700 -0.635 0.000 2.309 336 N HA -0.203 4.537 4.740 -0.001 0.000 0.182 336 N C 1.770 177.067 175.510 -0.355 0.000 1.018 336 N CA 0.867 53.618 53.050 -0.497 0.000 0.876 336 N CB 0.123 38.340 38.487 -0.451 0.000 0.972 336 N HN 0.510 nan 8.380 nan 0.000 0.434 337 E N 0.710 120.690 120.200 -0.367 0.000 2.072 337 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 337 E C 1.978 178.359 176.600 -0.365 0.000 0.982 337 E CA 0.427 56.639 56.400 -0.313 0.000 0.803 337 E CB 0.023 29.547 29.700 -0.294 0.000 0.755 337 E HN 0.075 nan 8.360 nan 0.000 0.453 338 L N 0.940 121.842 121.223 -0.534 0.000 2.083 338 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 338 L C 2.240 178.910 176.870 -0.333 0.000 1.083 338 L CA 1.126 55.676 54.840 -0.483 0.000 0.752 338 L CB -0.470 41.215 42.059 -0.625 0.000 0.899 338 L HN 0.258 nan 8.230 nan 0.000 0.433 339 L N -0.270 120.757 121.223 -0.327 0.000 2.083 339 L HA -0.061 4.279 4.340 -0.001 0.000 0.209 339 L C 2.311 179.069 176.870 -0.186 0.000 1.083 339 L CA 2.042 56.734 54.840 -0.247 0.000 0.752 339 L CB -0.951 40.956 42.059 -0.253 0.000 0.899 339 L HN 0.305 nan 8.230 nan 0.000 0.433 340 A N -1.064 121.645 122.820 -0.184 0.000 2.132 340 A HA 0.513 4.833 4.320 -0.001 0.000 0.213 340 A C 1.448 178.958 177.584 -0.123 0.000 1.154 340 A CA 0.451 52.407 52.037 -0.136 0.000 0.753 340 A CB -0.732 18.194 19.000 -0.123 0.000 0.826 340 A HN 0.427 nan 8.150 nan 0.000 0.469 341 A N 0.255 122.987 122.820 -0.146 0.000 2.346 341 A HA 0.317 4.637 4.320 -0.001 0.000 0.255 341 A C 0.253 177.775 177.584 -0.103 0.000 1.113 341 A CA 0.054 52.019 52.037 -0.121 0.000 0.798 341 A CB 0.007 18.924 19.000 -0.138 0.000 1.073 341 A HN 0.326 nan 8.150 nan 0.000 0.502 342 D N 0.703 121.054 120.400 -0.083 0.000 2.498 342 D HA 0.204 4.843 4.640 -0.001 0.000 0.229 342 D C -0.528 175.725 176.300 -0.078 0.000 1.188 342 D CA 0.089 54.046 54.000 -0.072 0.000 1.028 342 D CB -0.754 40.012 40.800 -0.057 0.000 1.087 342 D HN 0.600 nan 8.370 nan 0.000 0.510 343 N N 0.998 119.646 118.700 -0.088 0.000 3.046 343 N HA 0.318 5.058 4.740 -0.001 0.000 0.243 343 N C -2.555 172.900 175.510 -0.091 0.000 1.452 343 N CA -1.011 51.984 53.050 -0.093 0.000 0.882 343 N CB 0.552 38.974 38.487 -0.108 0.000 1.425 343 N HN -0.220 nan 8.380 nan 0.000 0.517 344 P HA 0.128 nan 4.420 nan 0.000 0.220 344 P C -0.233 177.021 177.300 -0.076 0.000 1.148 344 P CA 0.761 63.818 63.100 -0.073 0.000 0.803 344 P CB 0.154 31.815 31.700 -0.064 0.000 0.782 345 I N 0.682 121.187 120.570 -0.109 0.000 2.576 345 I HA -0.054 4.115 4.170 -0.001 0.000 0.288 345 I C 1.051 177.101 176.117 -0.113 0.000 1.126 345 I CA 0.491 61.716 61.300 -0.125 0.000 1.362 345 I CB 0.142 38.021 38.000 -0.203 0.000 1.419 345 I HN 0.040 nan 8.210 nan 0.000 0.533 346 S N 3.646 119.301 115.700 -0.075 0.000 2.559 346 S HA 0.258 4.728 4.470 -0.001 0.000 0.226 346 S C 0.191 174.759 174.600 -0.053 0.000 1.000 346 S CA -0.469 57.692 58.200 -0.065 0.000 0.948 346 S CB 0.416 63.591 63.200 -0.041 0.000 0.870 346 S HN 0.730 nan 8.310 nan 0.000 0.497 347 E N 0.136 120.307 120.200 -0.049 0.000 2.372 347 E HA 0.552 4.901 4.350 -0.001 0.000 0.279 347 E C -2.284 174.296 176.600 -0.033 0.000 0.946 347 E CA -0.810 55.573 56.400 -0.029 0.000 0.769 347 E CB 1.381 31.089 29.700 0.013 0.000 1.230 347 E HN 0.125 nan 8.360 nan 0.000 0.442 348 L N 2.991 124.207 121.223 -0.013 0.000 2.341 348 L HA 0.536 4.876 4.340 -0.001 0.000 0.278 348 L C -0.671 176.246 176.870 0.079 0.000 1.005 348 L CA -0.382 54.473 54.840 0.025 0.000 0.818 348 L CB 1.651 43.713 42.059 0.005 0.000 1.259 348 L HN 0.410 nan 8.230 nan 0.000 0.418 349 K N 1.960 122.405 120.400 0.076 0.000 2.426 349 K HA 0.781 5.101 4.320 -0.001 0.000 0.254 349 K C -1.552 175.050 176.600 0.005 0.000 0.936 349 K CA -0.505 55.785 56.287 0.006 0.000 0.801 349 K CB 1.776 34.284 32.500 0.013 0.000 1.139 349 K HN 0.347 nan 8.250 nan 0.000 0.424 350 V N 4.849 124.677 119.914 -0.143 0.000 2.581 350 V HA 0.575 4.695 4.120 -0.001 0.000 0.303 350 V C -0.823 175.056 176.094 -0.358 0.000 1.041 350 V CA -0.658 61.580 62.300 -0.104 0.000 0.907 350 V CB 1.098 32.870 31.823 -0.084 0.000 0.994 350 V HN 0.604 nan 8.190 nan 0.000 0.442 351 F N 1.252 121.219 119.950 0.028 0.000 2.563 351 F HA 0.436 4.963 4.527 -0.001 0.000 0.316 351 F C -0.071 175.740 175.800 0.018 0.000 1.076 351 F CA -0.892 57.121 58.000 0.021 0.000 0.921 351 F CB 1.784 40.801 39.000 0.029 0.000 1.209 351 F HN 0.510 nan 8.300 nan 0.000 0.462 352 D N 2.594 123.114 120.400 0.200 0.000 2.365 352 D HA 0.339 4.978 4.640 -0.001 0.000 0.237 352 D C -0.664 175.710 176.300 0.123 0.000 1.190 352 D CA 0.113 54.181 54.000 0.113 0.000 0.867 352 D CB 0.588 41.428 40.800 0.066 0.000 1.050 352 D HN 0.275 nan 8.370 nan 0.000 0.491 353 L N 4.325 125.610 121.223 0.103 0.000 3.186 353 L HA 0.327 4.667 4.340 -0.001 0.000 0.292 353 L C 1.701 178.613 176.870 0.070 0.000 1.303 353 L CA -0.224 54.668 54.840 0.087 0.000 0.940 353 L CB 0.051 42.171 42.059 0.102 0.000 1.358 353 L HN 0.404 nan 8.230 nan 0.000 0.581 354 R N 0.253 120.784 120.500 0.052 0.000 2.096 354 R HA -0.172 4.168 4.340 -0.001 0.000 0.240 354 R C 1.798 178.145 176.300 0.079 0.000 1.139 354 R CA 1.875 57.998 56.100 0.038 0.000 0.952 354 R CB 0.317 30.618 30.300 0.002 0.000 0.854 354 R HN 0.319 nan 8.270 nan 0.000 0.436 355 E N 0.521 120.778 120.200 0.094 0.000 2.038 355 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 355 E C 1.095 177.870 176.600 0.291 0.000 1.000 355 E CA 1.007 57.524 56.400 0.195 0.000 0.803 355 E CB -0.640 29.077 29.700 0.028 0.000 0.750 355 E HN 0.262 nan 8.360 nan 0.000 0.448 359 N N 0.583 119.513 118.700 0.384 0.000 2.230 359 N HA 0.329 5.069 4.740 -0.001 0.000 0.202 359 N C 0.989 176.538 175.510 0.065 0.000 1.119 359 N CA 1.258 54.511 53.050 0.338 0.000 0.851 359 N CB 1.068 39.954 38.487 0.665 0.000 0.990 359 N HN 1.240 nan 8.380 nan 0.000 0.497 360 G N -0.359 108.442 108.800 0.001 0.000 2.140 360 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.211 360 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.211 360 G C 0.175 174.966 174.900 -0.182 0.000 1.013 360 G CA -0.163 44.900 45.100 -0.061 0.000 0.705 360 G HN 0.531 nan 8.290 nan 0.000 0.508 361 G N -0.539 108.140 108.800 -0.202 0.000 2.626 361 G HA2 0.804 4.764 3.960 -0.001 0.000 0.304 361 G HA3 0.804 4.764 3.960 -0.001 0.000 0.304 361 G C 0.344 175.298 174.900 0.090 0.000 1.385 361 G CA 0.439 45.481 45.100 -0.095 0.000 0.957 361 G HN 1.037 nan 8.290 nan 0.000 0.504 362 G N 1.781 110.691 108.800 0.183 0.000 2.642 362 G HA2 0.706 4.666 3.960 -0.001 0.000 0.291 362 G HA3 0.706 4.666 3.960 -0.001 0.000 0.291 362 G C -0.834 174.199 174.900 0.222 0.000 1.345 362 G CA -1.155 44.065 45.100 0.201 0.000 1.043 362 G HN 0.343 nan 8.290 nan 0.000 0.528 363 P HA -0.158 nan 4.420 nan 0.000 0.216 363 P C 1.777 179.158 177.300 0.134 0.000 1.153 363 P CA 2.226 65.401 63.100 0.125 0.000 0.858 363 P CB 0.084 31.850 31.700 0.110 0.000 0.789 364 A N -0.591 122.328 122.820 0.165 0.000 1.968 364 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 364 A C 2.534 180.226 177.584 0.180 0.000 1.169 364 A CA 1.361 53.490 52.037 0.154 0.000 0.638 364 A CB -1.676 17.415 19.000 0.152 0.000 0.812 364 A HN 0.220 nan 8.150 nan 0.000 0.446 365 C N -0.668 118.770 119.300 0.230 0.000 2.422 365 C HA -0.029 4.430 4.460 -0.001 0.000 0.279 365 C C 2.295 177.525 174.990 0.399 0.000 1.305 365 C CA 0.841 60.029 59.018 0.284 0.000 1.757 365 C CB -1.362 26.523 27.740 0.243 0.000 1.962 365 C HN 0.596 nan 8.230 nan 0.000 0.499 366 L N 0.545 121.977 121.223 0.347 0.000 2.599 366 L HA 0.055 4.395 4.340 -0.001 0.000 0.230 366 L C 0.805 177.765 176.870 0.151 0.000 1.141 366 L CA 0.364 55.350 54.840 0.244 0.000 0.877 366 L CB -0.368 41.791 42.059 0.168 0.000 1.009 366 L HN 0.481 nan 8.230 nan 0.000 0.447 367 R N -0.111 120.481 120.500 0.153 0.000 2.744 367 R HA 0.648 4.988 4.340 -0.001 0.000 0.279 367 R C -1.452 174.935 176.300 0.144 0.000 0.977 367 R CA -0.706 55.474 56.100 0.135 0.000 0.906 367 R CB 1.393 31.752 30.300 0.098 0.000 1.197 367 R HN -0.147 nan 8.270 nan 0.000 0.463 368 L N 1.865 123.191 121.223 0.172 0.000 2.343 368 L HA 0.558 4.898 4.340 -0.001 0.000 0.278 368 L C -0.811 176.168 176.870 0.182 0.000 0.996 368 L CA -0.589 54.338 54.840 0.145 0.000 0.831 368 L CB 1.621 43.745 42.059 0.109 0.000 1.232 368 L HN 0.700 nan 8.230 nan 0.000 0.413 369 R N 4.127 124.707 120.500 0.132 0.000 2.267 369 R HA 0.579 4.919 4.340 -0.001 0.000 0.319 369 R C -1.128 175.238 176.300 0.109 0.000 1.067 369 R CA -0.426 55.753 56.100 0.132 0.000 0.936 369 R CB 1.009 31.365 30.300 0.093 0.000 1.006 369 R HN 0.458 nan 8.270 nan 0.000 0.452 370 V N 4.474 124.486 119.914 0.163 0.000 2.380 370 V HA 0.150 4.270 4.120 -0.001 0.000 0.286 370 V C -0.020 176.166 176.094 0.154 0.000 1.015 370 V CA -0.920 61.456 62.300 0.127 0.000 0.834 370 V CB 1.693 33.587 31.823 0.118 0.000 1.009 370 V HN 0.479 nan 8.190 nan 0.000 0.428 371 V N 7.124 127.094 119.914 0.094 0.000 2.479 371 V HA 0.320 4.440 4.120 -0.001 0.000 0.281 371 V C 0.011 176.194 176.094 0.149 0.000 1.031 371 V CA 0.293 62.644 62.300 0.085 0.000 1.038 371 V CB 0.826 32.704 31.823 0.091 0.000 0.981 371 V HN 0.626 nan 8.190 nan 0.000 0.478 372 L N 4.851 126.172 121.223 0.164 0.000 2.401 372 L HA 0.560 4.899 4.340 -0.001 0.000 0.266 372 L C 0.522 177.426 176.870 0.057 0.000 0.991 372 L CA -0.632 54.303 54.840 0.159 0.000 0.818 372 L CB 2.542 44.739 42.059 0.231 0.000 1.321 372 L HN 0.700 nan 8.230 nan 0.000 0.413 373 T N -2.990 111.580 114.554 0.028 0.000 2.766 373 T HA 0.077 4.426 4.350 -0.001 0.000 0.295 373 T C 0.916 175.528 174.700 -0.146 0.000 1.024 373 T CA -0.309 61.758 62.100 -0.054 0.000 1.018 373 T CB 1.275 70.125 68.868 -0.030 0.000 1.002 373 T HN 0.792 nan 8.240 nan 0.000 0.532 374 E N 0.249 120.314 120.200 -0.225 0.000 2.085 374 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 374 E C 1.953 178.461 176.600 -0.153 0.000 0.994 374 E CA 1.519 57.751 56.400 -0.280 0.000 0.801 374 E CB -0.057 29.492 29.700 -0.252 0.000 0.743 374 E HN 0.814 nan 8.360 nan 0.000 0.453 375 E N 0.051 120.190 120.200 -0.101 0.000 2.107 375 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 375 E C 2.025 178.597 176.600 -0.046 0.000 0.982 375 E CA 0.919 57.276 56.400 -0.070 0.000 0.809 375 E CB 0.021 29.679 29.700 -0.069 0.000 0.756 375 E HN 0.345 nan 8.360 nan 0.000 0.459 376 E N 0.644 120.827 120.200 -0.028 0.000 2.107 376 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 376 E C 2.091 178.815 176.600 0.206 0.000 0.982 376 E CA 0.529 56.962 56.400 0.056 0.000 0.809 376 E CB 0.059 29.819 29.700 0.100 0.000 0.756 376 E HN 0.031 nan 8.360 nan 0.000 0.459 377 R N 0.508 121.060 120.500 0.088 0.000 2.091 377 R HA -0.067 4.273 4.340 -0.001 0.000 0.238 377 R C 2.232 178.568 176.300 0.059 0.000 1.136 377 R CA 1.306 57.448 56.100 0.070 0.000 0.959 377 R CB 0.036 30.288 30.300 -0.079 0.000 0.856 377 R HN 0.007 nan 8.270 nan 0.000 0.437 378 R N -0.780 119.732 120.500 0.019 0.000 2.115 378 R HA -0.025 4.314 4.340 -0.001 0.000 0.230 378 R C 2.024 178.356 176.300 0.055 0.000 1.111 378 R CA 1.156 57.265 56.100 0.014 0.000 0.976 378 R CB -0.087 30.204 30.300 -0.016 0.000 0.870 378 R HN 0.199 nan 8.270 nan 0.000 0.445 379 A N 0.758 123.647 122.820 0.115 0.000 2.119 379 A HA 0.045 4.365 4.320 -0.001 0.000 0.216 379 A C 0.950 178.702 177.584 0.280 0.000 1.152 379 A CA 0.237 52.384 52.037 0.183 0.000 0.708 379 A CB 0.148 19.227 19.000 0.132 0.000 0.805 379 A HN 0.009 nan 8.150 nan 0.000 0.460 380 V N 1.887 121.932 119.914 0.218 0.000 2.715 380 V HA -0.008 4.111 4.120 -0.001 0.000 0.299 380 V C 0.745 176.796 176.094 -0.072 0.000 1.054 380 V CA -0.665 61.615 62.300 -0.033 0.000 1.077 380 V CB 0.433 32.198 31.823 -0.096 0.000 0.972 380 V HN 0.581 nan 8.190 nan 0.000 0.484 381 N N 6.001 124.607 118.700 -0.158 0.000 2.386 381 N HA -0.009 4.731 4.740 -0.001 0.000 0.273 381 N C -1.561 173.892 175.510 -0.094 0.000 1.331 381 N CA -1.017 51.965 53.050 -0.113 0.000 0.891 381 N CB 1.186 39.586 38.487 -0.144 0.000 1.139 381 N HN 0.351 nan 8.380 nan 0.000 0.487 382 P HA -0.093 nan 4.420 nan 0.000 0.219 382 P C 0.702 177.967 177.300 -0.059 0.000 1.146 382 P CA 1.124 64.194 63.100 -0.050 0.000 0.808 382 P CB 0.123 31.804 31.700 -0.031 0.000 0.779 383 A N -0.747 122.035 122.820 -0.064 0.000 2.172 383 A HA 0.039 4.359 4.320 -0.001 0.000 0.216 383 A C 1.212 178.749 177.584 -0.079 0.000 1.154 383 A CA 1.019 53.016 52.037 -0.066 0.000 0.701 383 A CB -1.215 17.744 19.000 -0.068 0.000 0.789 383 A HN 0.226 nan 8.150 nan 0.000 0.465 388 D N -0.298 120.138 120.400 0.061 0.000 2.133 388 D HA -0.125 4.514 4.640 -0.001 0.000 0.195 388 D C 1.159 177.546 176.300 0.146 0.000 0.997 388 D CA 2.264 56.334 54.000 0.117 0.000 0.840 388 D CB -0.531 40.314 40.800 0.075 0.000 0.947 388 D HN 0.672 nan 8.370 nan 0.000 0.452 389 T N 1.015 115.620 114.554 0.084 0.000 2.708 389 T HA -0.133 4.217 4.350 -0.001 0.000 0.266 389 T C 1.913 176.647 174.700 0.057 0.000 1.037 389 T CA 0.630 62.766 62.100 0.060 0.000 1.146 389 T CB -0.359 68.529 68.868 0.032 0.000 0.865 389 T HN 0.039 nan 8.240 nan 0.000 0.435 390 L N 0.669 121.927 121.223 0.059 0.000 2.056 390 L HA 0.093 4.433 4.340 -0.001 0.000 0.207 390 L C 2.021 178.934 176.870 0.072 0.000 1.078 390 L CA 1.518 56.380 54.840 0.037 0.000 0.749 390 L CB -0.920 41.149 42.059 0.017 0.000 0.901 390 L HN 0.220 nan 8.230 nan 0.000 0.433 391 F N 0.765 120.704 119.950 -0.018 0.000 2.091 391 F HA -0.283 4.243 4.527 -0.001 0.000 0.299 391 F C 2.255 178.058 175.800 0.005 0.000 1.103 391 F CA 2.096 60.091 58.000 -0.009 0.000 1.228 391 F CB -0.565 38.432 39.000 -0.005 0.000 0.984 391 F HN 0.255 nan 8.300 nan 0.000 0.477 392 N N 0.665 119.338 118.700 -0.046 0.000 2.188 392 N HA -0.111 4.628 4.740 -0.001 0.000 0.184 392 N C 2.004 177.444 175.510 -0.115 0.000 1.018 392 N CA 1.447 54.414 53.050 -0.139 0.000 0.858 392 N CB -0.895 37.597 38.487 0.008 0.000 0.989 392 N HN 0.436 nan 8.380 nan 0.000 0.426 393 A N 1.170 123.960 122.820 -0.049 0.000 1.873 393 A HA -0.031 4.288 4.320 -0.001 0.000 0.215 393 A C 2.351 179.936 177.584 0.001 0.000 1.186 393 A CA 0.882 52.910 52.037 -0.015 0.000 0.616 393 A CB -0.723 18.269 19.000 -0.014 0.000 0.823 393 A HN 0.198 nan 8.150 nan 0.000 0.442 394 L N -0.346 120.848 121.223 -0.048 0.000 2.056 394 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 394 L C 2.352 179.224 176.870 0.003 0.000 1.078 394 L CA 1.173 56.014 54.840 0.002 0.000 0.749 394 L CB -0.679 41.352 42.059 -0.046 0.000 0.901 394 L HN 0.389 nan 8.230 nan 0.000 0.433 395 N N 0.148 118.724 118.700 -0.208 0.000 2.104 395 N HA -0.187 4.553 4.740 -0.001 0.000 0.190 395 N C 1.418 176.862 175.510 -0.111 0.000 1.024 395 N CA 1.457 54.358 53.050 -0.249 0.000 0.853 395 N CB -0.290 37.925 38.487 -0.453 0.000 1.008 395 N HN 0.338 nan 8.380 nan 0.000 0.424 396 D N -0.403 119.965 120.400 -0.053 0.000 2.117 396 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 396 D C 1.745 178.088 176.300 0.070 0.000 0.982 396 D CA 0.475 54.472 54.000 -0.005 0.000 0.828 396 D CB -0.508 40.300 40.800 0.013 0.000 0.967 396 D HN 0.349 nan 8.370 nan 0.000 0.464 397 W N 1.852 123.130 121.300 -0.036 0.000 2.335 397 W HA -0.226 4.433 4.660 -0.001 0.000 0.311 397 W C 2.106 178.687 176.519 0.103 0.000 1.213 397 W CA 1.324 58.718 57.345 0.081 0.000 1.274 397 W CB -0.436 29.089 29.460 0.108 0.000 1.148 397 W HN -0.231 nan 8.180 nan 0.000 0.498 398 V N 1.047 120.978 119.914 0.029 0.000 2.295 398 V HA -0.322 3.798 4.120 -0.001 0.000 0.246 398 V C 2.061 178.047 176.094 -0.180 0.000 1.049 398 V CA 2.417 64.522 62.300 -0.324 0.000 1.024 398 V CB -1.012 30.552 31.823 -0.432 0.000 0.648 398 V HN 0.080 nan 8.190 nan 0.000 0.447 399 D N -0.446 119.877 120.400 -0.128 0.000 2.218 399 D HA -0.171 4.469 4.640 -0.001 0.000 0.204 399 D C 2.256 178.478 176.300 -0.131 0.000 0.976 399 D CA 1.199 55.136 54.000 -0.105 0.000 0.853 399 D CB -0.191 40.554 40.800 -0.091 0.000 0.939 399 D HN 0.411 nan 8.370 nan 0.000 0.481 400 R N -0.611 119.766 120.500 -0.205 0.000 2.075 400 R HA -0.083 4.257 4.340 -0.001 0.000 0.226 400 R C 1.571 177.590 176.300 -0.469 0.000 1.114 400 R CA 0.955 56.824 56.100 -0.385 0.000 0.972 400 R CB 0.006 29.962 30.300 -0.574 0.000 0.869 400 R HN 0.223 nan 8.270 nan 0.000 0.437 401 Y N -1.722 118.459 120.300 -0.199 0.000 2.507 401 Y HA 0.176 4.726 4.550 -0.000 0.000 0.263 401 Y C -0.072 175.737 175.900 -0.151 0.000 1.093 401 Y CA -0.601 57.364 58.100 -0.225 0.000 1.285 401 Y CB 0.358 38.552 38.460 -0.444 0.000 1.115 401 Y HN -0.089 nan 8.280 nan 0.000 0.533 402 Y N 1.935 122.137 120.300 -0.164 0.000 2.319 402 Y HA 0.316 4.866 4.550 -0.001 0.000 0.328 402 Y C 0.536 176.381 175.900 -0.091 0.000 1.133 402 Y CA -1.331 56.691 58.100 -0.129 0.000 1.265 402 Y CB 0.447 38.830 38.460 -0.128 0.000 1.218 402 Y HN -0.125 nan 8.280 nan 0.000 0.508 403 R N 1.930 122.445 120.500 0.025 0.000 2.500 403 R HA 0.157 4.497 4.340 -0.001 0.000 0.275 403 R C -0.059 176.260 176.300 0.031 0.000 1.051 403 R CA -0.603 55.498 56.100 0.002 0.000 1.088 403 R CB 0.750 31.026 30.300 -0.039 0.000 1.063 403 R HN 0.673 nan 8.270 nan 0.000 0.511 404 D N 0.591 120.999 120.400 0.014 0.000 2.333 404 D HA -0.018 4.621 4.640 -0.001 0.000 0.208 404 D C 0.319 176.626 176.300 0.013 0.000 0.984 404 D CA 0.865 54.875 54.000 0.017 0.000 0.873 404 D CB 0.513 41.316 40.800 0.005 0.000 0.935 404 D HN 0.281 nan 8.370 nan 0.000 0.521 405 R N 0.423 120.924 120.500 0.002 0.000 2.621 405 R HA 0.526 4.866 4.340 -0.001 0.000 0.284 405 R C -2.080 174.208 176.300 -0.019 0.000 0.998 405 R CA -0.633 55.466 56.100 -0.002 0.000 0.895 405 R CB 1.660 31.960 30.300 0.000 0.000 1.195 405 R HN -0.053 nan 8.270 nan 0.000 0.450 406 L N 1.972 123.179 121.223 -0.027 0.000 2.556 406 L HA 0.541 4.881 4.340 -0.001 0.000 0.257 406 L C -1.361 175.481 176.870 -0.047 0.000 0.955 406 L CA -0.035 54.774 54.840 -0.052 0.000 0.850 406 L CB 2.584 44.597 42.059 -0.076 0.000 1.398 406 L HN 0.909 nan 8.230 nan 0.000 0.412 407 T N 0.120 114.644 114.554 -0.050 0.000 2.883 407 T HA 0.689 5.039 4.350 -0.001 0.000 0.296 407 T C 0.780 175.435 174.700 -0.076 0.000 1.117 407 T CA -0.181 61.907 62.100 -0.021 0.000 1.006 407 T CB 1.536 70.409 68.868 0.008 0.000 1.191 407 T HN 0.772 nan 8.240 nan 0.000 0.508 408 A N 0.742 123.536 122.820 -0.044 0.000 1.986 408 A HA 0.172 4.491 4.320 -0.001 0.000 0.220 408 A C 2.483 180.003 177.584 -0.108 0.000 1.171 408 A CA 2.088 54.057 52.037 -0.113 0.000 0.640 408 A CB -1.465 17.537 19.000 0.004 0.000 0.811 408 A HN 1.386 nan 8.150 nan 0.000 0.451 409 A N -0.184 122.601 122.820 -0.058 0.000 2.019 409 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 409 A C 1.533 179.075 177.584 -0.070 0.000 1.164 409 A CA 1.622 53.629 52.037 -0.051 0.000 0.644 409 A CB -0.389 18.594 19.000 -0.027 0.000 0.805 409 A HN 0.486 nan 8.150 nan 0.000 0.449 410 D N -0.062 120.286 120.400 -0.087 0.000 2.347 410 D HA 0.013 4.653 4.640 -0.001 0.000 0.215 410 D C 1.621 177.852 176.300 -0.116 0.000 0.976 410 D CA 0.353 54.298 54.000 -0.091 0.000 0.884 410 D CB -0.127 40.620 40.800 -0.089 0.000 0.915 410 D HN 0.473 nan 8.370 nan 0.000 0.526 411 L N 0.538 121.673 121.223 -0.147 0.000 2.362 411 L HA -0.061 4.279 4.340 -0.001 0.000 0.219 411 L C 2.209 179.012 176.870 -0.111 0.000 1.134 411 L CA 0.573 55.319 54.840 -0.156 0.000 0.807 411 L CB -0.260 41.676 42.059 -0.206 0.000 0.927 411 L HN -0.027 nan 8.230 nan 0.000 0.447 412 A N -1.347 121.417 122.820 -0.094 0.000 2.178 412 A HA -0.065 4.255 4.320 -0.001 0.000 0.211 412 A C 0.714 178.254 177.584 -0.074 0.000 1.157 412 A CA -0.025 51.964 52.037 -0.081 0.000 0.780 412 A CB -0.254 18.703 19.000 -0.071 0.000 0.828 412 A HN 0.243 nan 8.150 nan 0.000 0.476 413 D N 0.850 121.205 120.400 -0.076 0.000 2.358 413 D HA 0.124 4.763 4.640 -0.001 0.000 0.258 413 D C -1.214 175.041 176.300 -0.074 0.000 1.223 413 D CA -2.013 51.945 54.000 -0.069 0.000 0.886 413 D CB 1.111 41.870 40.800 -0.069 0.000 1.120 413 D HN 0.117 nan 8.370 nan 0.000 0.482 414 P HA -0.197 nan 4.420 nan 0.000 0.219 414 P C 1.233 178.490 177.300 -0.072 0.000 1.146 414 P CA 0.969 64.028 63.100 -0.068 0.000 0.808 414 P CB 0.380 32.047 31.700 -0.055 0.000 0.779 415 Q N -0.577 119.184 119.800 -0.065 0.000 2.123 415 Q HA -0.116 4.224 4.340 -0.001 0.000 0.199 415 Q C 2.192 178.144 176.000 -0.080 0.000 0.966 415 Q CA 0.682 56.447 55.803 -0.063 0.000 0.845 415 Q CB -0.502 28.205 28.738 -0.051 0.000 0.907 415 Q HN 0.079 nan 8.270 nan 0.000 0.439 416 L N 0.340 121.508 121.223 -0.091 0.000 2.046 416 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 416 L C 2.055 178.843 176.870 -0.136 0.000 1.077 416 L CA 1.391 56.163 54.840 -0.113 0.000 0.747 416 L CB -0.638 41.351 42.059 -0.117 0.000 0.896 416 L HN 0.354 nan 8.230 nan 0.000 0.432 417 L N -0.322 120.824 121.223 -0.128 0.000 1.989 417 L HA -0.213 4.127 4.340 -0.001 0.000 0.211 417 L C 2.716 179.476 176.870 -0.183 0.000 1.071 417 L CA 1.764 56.513 54.840 -0.151 0.000 0.749 417 L CB -0.659 41.324 42.059 -0.127 0.000 0.890 417 L HN 0.241 nan 8.230 nan 0.000 0.431 418 R N -0.200 120.214 120.500 -0.143 0.000 2.081 418 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 418 R C 2.157 178.373 176.300 -0.140 0.000 1.131 418 R CA 1.798 57.817 56.100 -0.135 0.000 0.960 418 R CB -0.651 29.599 30.300 -0.082 0.000 0.856 418 R HN 0.576 nan 8.270 nan 0.000 0.436 419 E N -0.223 119.906 120.200 -0.118 0.000 2.051 419 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 419 E C 2.097 178.561 176.600 -0.226 0.000 0.991 419 E CA 1.294 57.636 56.400 -0.096 0.000 0.799 419 E CB -0.303 29.354 29.700 -0.071 0.000 0.748 419 E HN 0.480 nan 8.360 nan 0.000 0.449 420 G N 0.917 109.562 108.800 -0.259 0.000 2.422 420 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 420 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 420 G C 1.562 176.241 174.900 -0.368 0.000 1.146 420 G CA 0.314 45.224 45.100 -0.317 0.000 0.769 420 G HN 0.007 nan 8.290 nan 0.000 0.547 421 R N 0.407 120.648 120.500 -0.432 0.000 2.066 421 R HA -0.015 4.325 4.340 -0.001 0.000 0.232 421 R C 2.343 178.459 176.300 -0.307 0.000 1.131 421 R CA 1.323 57.025 56.100 -0.665 0.000 0.955 421 R CB -0.906 28.982 30.300 -0.687 0.000 0.851 421 R HN 0.605 nan 8.270 nan 0.000 0.432 422 E N 0.571 120.643 120.200 -0.213 0.000 2.051 422 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 422 E C 1.898 178.355 176.600 -0.239 0.000 0.991 422 E CA 1.211 57.546 56.400 -0.108 0.000 0.799 422 E CB -0.029 29.656 29.700 -0.025 0.000 0.748 422 E HN 0.265 nan 8.360 nan 0.000 0.449 423 A N 1.356 123.789 122.820 -0.644 0.000 1.873 423 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 423 A C 2.258 179.934 177.584 0.152 0.000 1.193 423 A CA 1.612 53.161 52.037 -0.813 0.000 0.629 423 A CB -0.877 17.523 19.000 -1.000 0.000 0.826 423 A HN 0.359 nan 8.150 nan 0.000 0.447 424 L N -1.004 120.280 121.223 0.103 0.000 2.141 424 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 424 L C 2.338 179.385 176.870 0.295 0.000 1.094 424 L CA 1.658 56.621 54.840 0.205 0.000 0.763 424 L CB -0.573 41.456 42.059 -0.050 0.000 0.908 424 L HN 0.451 nan 8.230 nan 0.000 0.437 425 D N -0.300 120.290 120.400 0.317 0.000 2.117 425 D HA -0.143 4.496 4.640 -0.001 0.000 0.198 425 D C 2.139 178.547 176.300 0.180 0.000 0.982 425 D CA 0.875 55.043 54.000 0.279 0.000 0.828 425 D CB 0.247 41.220 40.800 0.288 0.000 0.967 425 D HN -0.011 nan 8.370 nan 0.000 0.464 426 V N 0.456 120.486 119.914 0.193 0.000 2.358 426 V HA -0.158 3.961 4.120 -0.001 0.000 0.246 426 V C 2.431 178.570 176.094 0.075 0.000 1.047 426 V CA 1.196 63.614 62.300 0.197 0.000 1.035 426 V CB -0.477 31.566 31.823 0.368 0.000 0.658 426 V HN 0.267 nan 8.190 nan 0.000 0.452 427 L N 1.204 122.428 121.223 0.001 0.000 2.083 427 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 427 L C 2.704 179.487 176.870 -0.146 0.000 1.083 427 L CA 2.406 57.030 54.840 -0.361 0.000 0.752 427 L CB -0.680 41.011 42.059 -0.612 0.000 0.899 427 L HN 0.499 nan 8.230 nan 0.000 0.433 428 S N -1.650 114.062 115.700 0.021 0.000 2.419 428 S HA -0.241 4.228 4.470 -0.001 0.000 0.233 428 S C 1.852 176.435 174.600 -0.028 0.000 1.016 428 S CA 1.294 59.505 58.200 0.018 0.000 0.974 428 S CB -0.479 62.767 63.200 0.078 0.000 0.786 428 S HN 0.687 nan 8.310 nan 0.000 0.492 429 Q N 0.121 119.913 119.800 -0.013 0.000 2.062 429 Q HA 0.162 4.502 4.340 -0.001 0.000 0.196 429 Q C 2.227 178.202 176.000 -0.041 0.000 0.967 429 Q CA 1.138 56.932 55.803 -0.015 0.000 0.832 429 Q CB -0.350 28.399 28.738 0.018 0.000 0.899 429 Q HN 0.506 nan 8.270 nan 0.000 0.442 430 L N 0.582 121.763 121.223 -0.070 0.000 2.042 430 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 430 L C 1.597 178.405 176.870 -0.103 0.000 1.076 430 L CA 1.743 56.527 54.840 -0.095 0.000 0.749 430 L CB -0.178 41.781 42.059 -0.166 0.000 0.893 430 L HN 0.197 nan 8.230 nan 0.000 0.432 431 L N -0.346 120.804 121.223 -0.123 0.000 2.591 431 L HA 0.087 4.427 4.340 -0.001 0.000 0.228 431 L C 0.625 177.442 176.870 -0.089 0.000 1.133 431 L CA 0.273 55.046 54.840 -0.111 0.000 0.880 431 L CB -0.717 41.267 42.059 -0.125 0.000 1.033 431 L HN 0.490 nan 8.230 nan 0.000 0.450 432 N N 0.667 119.322 118.700 -0.074 0.000 2.714 432 N HA -0.222 4.517 4.740 -0.001 0.000 0.253 432 N C 0.261 175.725 175.510 -0.077 0.000 1.024 432 N CA 0.435 53.447 53.050 -0.064 0.000 0.726 432 N CB -0.997 37.457 38.487 -0.056 0.000 0.908 432 N HN 0.356 nan 8.380 nan 0.000 0.542 433 L N -0.837 120.333 121.223 -0.088 0.000 2.638 433 L HA 0.386 4.726 4.340 -0.001 0.000 0.232 433 L C 1.720 178.520 176.870 -0.117 0.000 1.099 433 L CA 0.230 55.001 54.840 -0.115 0.000 0.883 433 L CB -0.251 41.716 42.059 -0.152 0.000 1.136 433 L HN 0.545 nan 8.230 nan 0.000 0.492 434 G N 0.401 109.148 108.800 -0.089 0.000 2.645 434 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.239 434 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.239 434 G C -0.050 174.784 174.900 -0.109 0.000 1.331 434 G CA -0.209 44.841 45.100 -0.083 0.000 0.890 434 G HN 0.122 nan 8.290 nan 0.000 0.572 435 S N 0.140 115.774 115.700 -0.111 0.000 3.900 435 S HA 0.297 4.766 4.470 -0.001 0.000 0.248 435 S C 1.279 175.766 174.600 -0.188 0.000 1.310 435 S CA 0.395 58.509 58.200 -0.144 0.000 0.915 435 S CB 0.935 64.064 63.200 -0.118 0.000 1.588 435 S HN 1.293 nan 8.310 nan 0.000 0.472 436 V N 2.814 122.562 119.914 -0.277 0.000 3.235 436 V HA 0.175 4.295 4.120 -0.001 0.000 0.259 436 V C -0.312 175.511 176.094 -0.453 0.000 1.133 436 V CA 0.763 62.829 62.300 -0.390 0.000 1.128 436 V CB -0.129 31.384 31.823 -0.517 0.000 0.757 436 V HN 0.674 nan 8.190 nan 0.000 0.469 437 Y N 0.129 120.309 120.300 -0.200 0.000 2.376 437 Y HA 0.385 4.934 4.550 -0.001 0.000 0.325 437 Y C -1.155 174.641 175.900 -0.174 0.000 1.199 437 Y CA -2.155 55.849 58.100 -0.160 0.000 1.206 437 Y CB 0.527 38.906 38.460 -0.135 0.000 1.229 437 Y HN -0.029 nan 8.280 nan 0.000 0.480 438 P HA -0.252 nan 4.420 nan 0.000 0.215 438 P C 1.419 178.764 177.300 0.075 0.000 1.157 438 P CA 1.776 64.952 63.100 0.127 0.000 0.874 438 P CB -0.111 31.723 31.700 0.224 0.000 0.790 439 F N 0.041 120.049 119.950 0.096 0.000 2.333 439 F HA -0.108 4.419 4.527 -0.001 0.000 0.300 439 F C 1.571 177.401 175.800 0.050 0.000 1.083 439 F CA 1.073 59.097 58.000 0.040 0.000 1.395 439 F CB -1.583 37.427 39.000 0.017 0.000 1.056 439 F HN -0.046 nan 8.300 nan 0.000 0.529 440 Q N 0.346 119.753 119.800 -0.654 0.000 2.425 440 Q HA 0.161 4.501 4.340 -0.001 0.000 0.204 440 Q C 0.473 176.366 176.000 -0.179 0.000 0.933 440 Q CA 0.149 55.671 55.803 -0.468 0.000 0.939 440 Q CB 0.202 28.612 28.738 -0.546 0.000 1.044 440 Q HN 0.468 nan 8.270 nan 0.000 0.513 441 R N 0.000 120.432 120.500 -0.114 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 441 R CA 0.000 56.066 56.100 -0.057 0.000 0.921 441 R CB 0.000 30.273 30.300 -0.045 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535