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_B 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 0.000 175.441 175.510 -0.115 0.000 1.280 2 N CA 0.000 53.036 53.050 -0.024 0.000 0.885 2 N CB 0.000 38.516 38.487 0.048 0.000 1.341 3 A N 1.833 124.672 122.820 0.033 0.000 2.388 3 A HA 0.625 4.944 4.320 -0.001 0.000 0.257 3 A C -0.730 177.044 177.584 0.317 0.000 1.095 3 A CA -0.106 51.972 52.037 0.069 0.000 0.791 3 A CB 0.333 19.418 19.000 0.142 0.000 1.029 3 A HN 0.606 nan 8.150 nan 0.000 0.489 4 W N -0.090 121.277 121.300 0.112 0.000 2.882 4 W HA 0.482 5.141 4.660 -0.001 0.000 0.345 4 W C 0.060 176.500 176.519 -0.131 0.000 1.125 4 W CA -1.094 56.289 57.345 0.064 0.000 1.167 4 W CB 1.010 30.512 29.460 0.070 0.000 1.431 4 W HN 0.809 nan 8.180 nan 0.000 0.543 5 E N 1.360 121.446 120.200 -0.189 0.000 2.167 5 E HA 0.431 4.780 4.350 -0.001 0.000 0.284 5 E C -1.153 175.454 176.600 0.012 0.000 1.016 5 E CA -0.178 56.035 56.400 -0.311 0.000 0.817 5 E CB 1.074 30.309 29.700 -0.774 0.000 1.080 5 E HN 0.174 nan 8.360 nan 0.000 0.397 6 V N 5.091 125.082 119.914 0.129 0.000 2.398 6 V HA 0.254 4.373 4.120 -0.001 0.000 0.286 6 V C -0.084 176.125 176.094 0.191 0.000 1.026 6 V CA -1.107 61.293 62.300 0.166 0.000 0.868 6 V CB 1.507 33.469 31.823 0.232 0.000 0.982 6 V HN 0.663 nan 8.190 nan 0.000 0.443 7 N N 3.556 122.302 118.700 0.076 0.000 2.434 7 N HA 0.443 5.182 4.740 -0.001 0.000 0.272 7 N C -1.101 174.418 175.510 0.014 0.000 1.040 7 N CA -0.093 53.017 53.050 0.100 0.000 0.956 7 N CB 1.288 39.797 38.487 0.037 0.000 1.108 7 N HN 0.471 nan 8.380 nan 0.000 0.481 8 F N 1.146 121.134 119.950 0.063 0.000 2.361 8 F HA 0.266 4.792 4.527 -0.001 0.000 0.364 8 F C 0.474 176.302 175.800 0.048 0.000 1.117 8 F CA -0.779 57.257 58.000 0.060 0.000 1.071 8 F CB 1.052 40.113 39.000 0.100 0.000 1.188 8 F HN 0.235 nan 8.300 nan 0.000 0.464 9 D N 1.270 121.746 120.400 0.127 0.000 2.217 9 D HA 0.478 5.118 4.640 -0.001 0.000 0.248 9 D C 0.175 176.528 176.300 0.089 0.000 1.008 9 D CA -0.270 53.784 54.000 0.091 0.000 0.914 9 D CB 1.577 42.393 40.800 0.026 0.000 1.182 9 D HN 0.618 nan 8.370 nan 0.000 0.451 10 G N 0.808 109.648 108.800 0.066 0.000 2.333 10 G HA2 0.398 4.357 3.960 -0.001 0.000 0.290 10 G HA3 0.398 4.357 3.960 -0.001 0.000 0.290 10 G C -0.613 174.294 174.900 0.011 0.000 1.150 10 G CA -0.423 44.699 45.100 0.037 0.000 0.895 10 G HN 0.357 nan 8.290 nan 0.000 0.444 11 L N 4.734 125.982 121.223 0.041 0.000 2.385 11 L HA 0.287 4.627 4.340 -0.001 0.000 0.281 11 L C 0.514 177.433 176.870 0.082 0.000 1.106 11 L CA -0.227 54.650 54.840 0.062 0.000 0.856 11 L CB 0.852 42.965 42.059 0.089 0.000 1.186 11 L HN 0.279 nan 8.230 nan 0.000 0.453 12 V N 5.989 125.923 119.914 0.034 0.000 2.644 12 V HA 0.125 4.245 4.120 -0.001 0.000 0.305 12 V C 1.394 177.628 176.094 0.232 0.000 1.053 12 V CA 0.632 62.946 62.300 0.023 0.000 1.186 12 V CB -0.034 31.749 31.823 -0.066 0.000 0.895 12 V HN 0.988 nan 8.190 nan 0.000 0.490 13 G N 3.700 112.587 108.800 0.145 0.000 2.599 13 G HA2 0.369 4.329 3.960 -0.001 0.000 0.264 13 G HA3 0.369 4.329 3.960 -0.001 0.000 0.264 13 G C 0.597 175.521 174.900 0.040 0.000 1.200 13 G CA -0.765 44.429 45.100 0.158 0.000 0.896 13 G HN 0.662 nan 8.290 nan 0.000 0.536 14 L N 0.266 121.299 121.223 -0.318 0.000 2.275 14 L HA 0.040 4.379 4.340 -0.001 0.000 0.215 14 L C 2.841 179.563 176.870 -0.247 0.000 1.119 14 L CA 1.893 56.345 54.840 -0.646 0.000 0.790 14 L CB -0.512 41.084 42.059 -0.771 0.000 0.919 14 L HN 0.686 nan 8.230 nan 0.000 0.443 15 T N -4.830 109.668 114.554 -0.093 0.000 3.163 15 T HA 0.044 4.394 4.350 -0.001 0.000 0.252 15 T C 0.685 175.470 174.700 0.141 0.000 1.056 15 T CA -0.466 61.629 62.100 -0.008 0.000 0.947 15 T CB -0.944 67.927 68.868 0.006 0.000 1.016 15 T HN 0.286 nan 8.240 nan 0.000 0.554 16 H N 3.687 122.763 119.070 0.010 0.000 3.214 16 H HA 0.159 4.714 4.556 -0.001 0.000 0.291 16 H C 0.370 175.690 175.328 -0.013 0.000 0.926 16 H CA 0.750 56.791 56.048 -0.011 0.000 1.409 16 H CB -0.185 29.561 29.762 -0.027 0.000 1.406 16 H HN 0.672 nan 8.280 nan 0.000 0.561 17 H N 3.117 121.850 119.070 -0.562 0.000 2.948 17 H HA 0.204 4.759 4.556 -0.002 0.000 0.315 17 H C -1.546 173.543 175.328 -0.398 0.000 1.360 17 H CA -1.036 54.638 56.048 -0.624 0.000 1.125 17 H CB 0.327 29.913 29.762 -0.294 0.000 1.844 17 H HN 0.624 nan 8.280 nan 0.000 0.529 18 Y N 0.302 120.577 120.300 -0.041 0.000 2.331 18 Y HA 0.680 5.229 4.550 -0.002 0.000 0.338 18 Y C 0.420 176.363 175.900 0.072 0.000 0.992 18 Y CA -0.593 57.510 58.100 0.004 0.000 1.121 18 Y CB 1.796 40.355 38.460 0.165 0.000 1.184 18 Y HN 0.862 nan 8.280 nan 0.000 0.469 32 R N -0.208 120.328 120.500 0.060 0.000 2.565 32 R HA 0.412 4.751 4.340 -0.001 0.000 0.347 32 R C -0.978 175.239 176.300 -0.139 0.000 1.010 32 R CA -0.552 55.498 56.100 -0.082 0.000 1.126 32 R CB -0.136 30.041 30.300 -0.206 0.000 1.331 32 R HN 0.382 nan 8.270 nan 0.000 0.552 33 F N 0.705 120.741 119.950 0.144 0.000 2.518 33 F HA 0.088 4.615 4.527 0.000 0.000 0.359 33 F C 1.591 177.525 175.800 0.223 0.000 1.118 33 F CA 0.382 58.394 58.000 0.019 0.000 1.287 33 F CB 0.915 39.762 39.000 -0.255 0.000 1.132 33 F HN -0.014 nan 8.300 nan 0.000 0.587 34 Q N 1.131 121.165 119.800 0.390 0.000 2.280 34 Q HA 0.194 4.533 4.340 -0.001 0.000 0.244 34 Q C -0.314 175.868 176.000 0.303 0.000 0.847 34 Q CA 0.316 56.324 55.803 0.341 0.000 0.945 34 Q CB 0.847 29.687 28.738 0.170 0.000 1.115 34 Q HN 0.371 nan 8.270 nan 0.000 0.513 35 V N 2.867 122.968 119.914 0.311 0.000 2.350 35 V HA 0.350 4.469 4.120 -0.001 0.000 0.276 35 V C 0.341 176.499 176.094 0.106 0.000 1.028 35 V CA -0.490 61.901 62.300 0.153 0.000 0.860 35 V CB 1.182 33.086 31.823 0.135 0.000 0.990 35 V HN 0.179 nan 8.190 nan 0.000 0.453 36 S N 3.260 118.846 115.700 -0.190 0.000 2.718 36 S HA 0.550 5.020 4.470 -0.001 0.000 0.300 36 S C -0.325 174.226 174.600 -0.080 0.000 1.117 36 S CA -0.810 57.169 58.200 -0.368 0.000 1.002 36 S CB 1.902 64.505 63.200 -0.995 0.000 1.092 36 S HN 0.620 nan 8.310 nan 0.000 0.542 37 N N 1.165 119.896 118.700 0.053 0.000 2.746 37 N HA 0.387 5.126 4.740 -0.001 0.000 0.250 37 N C -2.408 173.210 175.510 0.181 0.000 1.146 37 N CA -2.153 50.953 53.050 0.093 0.000 0.828 37 N CB 1.255 39.787 38.487 0.074 0.000 1.158 37 N HN 0.226 nan 8.380 nan 0.000 0.519 38 P HA -0.168 nan 4.420 nan 0.000 0.215 38 P C 1.411 178.881 177.300 0.284 0.000 1.157 38 P CA 1.271 64.533 63.100 0.269 0.000 0.874 38 P CB 0.399 32.199 31.700 0.167 0.000 0.790 39 R N -0.364 120.277 120.500 0.235 0.000 2.083 39 R HA -0.175 4.165 4.340 -0.001 0.000 0.237 39 R C 2.134 178.431 176.300 -0.004 0.000 1.137 39 R CA 1.575 57.737 56.100 0.103 0.000 0.951 39 R CB -1.196 29.147 30.300 0.071 0.000 0.851 39 R HN 0.070 nan 8.270 nan 0.000 0.434 40 L N 0.671 121.909 121.223 0.025 0.000 2.141 40 L HA 0.006 4.345 4.340 -0.001 0.000 0.209 40 L C 2.239 179.102 176.870 -0.012 0.000 1.094 40 L CA 2.006 56.849 54.840 0.005 0.000 0.763 40 L CB -0.603 41.470 42.059 0.023 0.000 0.908 40 L HN 0.303 nan 8.230 nan 0.000 0.437 41 A N -0.352 122.454 122.820 -0.023 0.000 1.877 41 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 41 A C 2.461 179.984 177.584 -0.100 0.000 1.186 41 A CA 1.902 53.867 52.037 -0.121 0.000 0.620 41 A CB -1.170 17.600 19.000 -0.383 0.000 0.822 41 A HN 0.563 nan 8.150 nan 0.000 0.443 42 A N -0.384 122.384 122.820 -0.087 0.000 1.873 42 A HA -0.129 4.191 4.320 -0.001 0.000 0.215 42 A C 2.123 179.653 177.584 -0.091 0.000 1.186 42 A CA 1.733 53.703 52.037 -0.113 0.000 0.616 42 A CB -0.423 18.401 19.000 -0.293 0.000 0.823 42 A HN 0.524 nan 8.150 nan 0.000 0.442 43 K N -0.477 119.867 120.400 -0.093 0.000 2.057 43 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 43 K C 2.318 178.925 176.600 0.013 0.000 1.049 43 K CA 1.640 57.897 56.287 -0.050 0.000 0.931 43 K CB -0.209 32.260 32.500 -0.052 0.000 0.714 43 K HN 0.610 nan 8.250 nan 0.000 0.440 44 Q N -0.416 119.391 119.800 0.011 0.000 2.124 44 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 44 Q C 2.247 178.265 176.000 0.031 0.000 0.977 44 Q CA 1.444 57.272 55.803 0.042 0.000 0.850 44 Q CB -0.180 28.578 28.738 0.035 0.000 0.901 44 Q HN 0.458 nan 8.270 nan 0.000 0.429 45 G N 0.682 109.483 108.800 0.001 0.000 2.408 45 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.217 45 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.217 45 G C 1.395 176.298 174.900 0.005 0.000 1.150 45 G CA 0.281 45.373 45.100 -0.014 0.000 0.776 45 G HN 0.156 nan 8.290 nan 0.000 0.542 46 L N -0.057 121.196 121.223 0.051 0.000 2.093 46 L HA 0.029 4.368 4.340 -0.001 0.000 0.208 46 L C 2.883 179.904 176.870 0.251 0.000 1.085 46 L CA 0.443 55.373 54.840 0.150 0.000 0.755 46 L CB -0.297 41.839 42.059 0.128 0.000 0.904 46 L HN 0.192 nan 8.230 nan 0.000 0.435 47 L N -0.453 120.898 121.223 0.213 0.000 2.046 47 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 47 L C 1.826 178.745 176.870 0.081 0.000 1.077 47 L CA 1.008 55.978 54.840 0.217 0.000 0.747 47 L CB -0.451 41.736 42.059 0.214 0.000 0.896 47 L HN 0.221 nan 8.230 nan 0.000 0.432 51 A N 1.910 124.700 122.820 -0.051 0.000 1.883 51 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 51 A C 1.980 179.638 177.584 0.123 0.000 1.186 51 A CA 1.904 53.996 52.037 0.091 0.000 0.624 51 A CB -0.799 18.414 19.000 0.355 0.000 0.822 51 A HN 0.258 nan 8.150 nan 0.000 0.444 52 L N -1.009 120.273 121.223 0.098 0.000 2.056 52 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 52 L C 3.127 180.112 176.870 0.191 0.000 1.078 52 L CA 1.060 55.998 54.840 0.163 0.000 0.749 52 L CB -0.767 41.301 42.059 0.015 0.000 0.901 52 L HN 0.461 nan 8.230 nan 0.000 0.433 53 A N 0.274 123.123 122.820 0.048 0.000 1.877 53 A HA -0.245 4.075 4.320 -0.001 0.000 0.216 53 A C 1.890 179.465 177.584 -0.016 0.000 1.186 53 A CA 2.120 54.159 52.037 0.003 0.000 0.620 53 A CB -0.599 18.367 19.000 -0.057 0.000 0.822 53 A HN 0.342 nan 8.150 nan 0.000 0.443 54 D N 0.059 120.439 120.400 -0.033 0.000 2.149 54 D HA -0.039 4.600 4.640 -0.001 0.000 0.198 54 D C 1.925 178.213 176.300 -0.020 0.000 0.990 54 D CA 1.481 55.456 54.000 -0.043 0.000 0.839 54 D CB -0.350 40.415 40.800 -0.059 0.000 0.948 54 D HN 0.444 nan 8.370 nan 0.000 0.460 55 A N -0.649 122.201 122.820 0.050 0.000 2.235 55 A HA 0.390 4.710 4.320 -0.001 0.000 0.208 55 A C 1.764 179.243 177.584 -0.175 0.000 1.172 55 A CA 1.206 53.272 52.037 0.049 0.000 0.786 55 A CB -0.247 18.918 19.000 0.276 0.000 0.804 55 A HN 0.285 nan 8.150 nan 0.000 0.479 56 G N -2.278 106.402 108.800 -0.200 0.000 2.179 56 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 56 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 56 G C -0.105 174.475 174.900 -0.534 0.000 0.990 56 G CA -0.104 44.756 45.100 -0.400 0.000 0.646 56 G HN 0.359 nan 8.290 nan 0.000 0.517 57 F N 1.828 121.712 119.950 -0.111 0.000 2.371 57 F HA 0.494 5.021 4.527 -0.001 0.000 0.363 57 F C -1.710 174.031 175.800 -0.097 0.000 1.122 57 F CA -2.480 55.456 58.000 -0.107 0.000 1.129 57 F CB 1.165 40.133 39.000 -0.053 0.000 1.173 57 F HN -0.184 nan 8.300 nan 0.000 0.489 58 P HA -0.083 nan 4.420 nan 0.000 0.259 58 P C -0.807 176.500 177.300 0.011 0.000 1.163 58 P CA 0.397 63.523 63.100 0.044 0.000 0.760 58 P CB 0.444 32.238 31.700 0.156 0.000 0.762 59 Q N 2.757 122.522 119.800 -0.059 0.000 2.389 59 Q HA 0.778 5.117 4.340 -0.001 0.000 0.277 59 Q C -1.652 174.187 176.000 -0.268 0.000 1.082 59 Q CA -0.797 54.924 55.803 -0.138 0.000 0.810 59 Q CB 2.066 30.758 28.738 -0.077 0.000 1.374 59 Q HN 0.450 nan 8.270 nan 0.000 0.422 60 A N 1.827 124.382 122.820 -0.441 0.000 2.552 60 A HA 0.909 5.228 4.320 -0.001 0.000 0.288 60 A C -1.626 175.772 177.584 -0.311 0.000 1.193 60 A CA -0.334 51.366 52.037 -0.562 0.000 0.713 60 A CB 1.597 19.765 19.000 -1.386 0.000 1.305 60 A HN 0.800 nan 8.150 nan 0.000 0.424 61 V N 0.019 119.841 119.914 -0.154 0.000 3.007 61 V HA 0.736 4.855 4.120 -0.001 0.000 0.311 61 V C -1.576 174.581 176.094 0.105 0.000 1.120 61 V CA -0.702 61.600 62.300 0.003 0.000 0.980 61 V CB 1.818 33.631 31.823 -0.017 0.000 1.033 61 V HN 0.732 nan 8.190 nan 0.000 0.429 62 I N 6.937 127.580 120.570 0.121 0.000 2.466 62 I HA 0.470 4.639 4.170 -0.001 0.000 0.289 62 I C -2.385 173.790 176.117 0.097 0.000 1.026 62 I CA -1.951 59.423 61.300 0.122 0.000 1.078 62 I CB 2.659 40.754 38.000 0.158 0.000 1.249 62 I HN 0.530 nan 8.210 nan 0.000 0.429 63 P HA 0.246 nan 4.420 nan 0.000 0.274 63 P C -2.679 174.775 177.300 0.256 0.000 1.246 63 P CA -1.214 61.969 63.100 0.139 0.000 0.795 63 P CB 0.052 31.830 31.700 0.130 0.000 1.006 64 P HA 0.201 nan 4.420 nan 0.000 0.277 64 P C -0.207 177.381 177.300 0.479 0.000 1.276 64 P CA -0.015 63.256 63.100 0.285 0.000 0.788 64 P CB 0.799 32.644 31.700 0.242 0.000 1.114 65 H N -1.877 117.263 119.070 0.117 0.000 2.630 65 H HA 0.228 4.784 4.556 -0.001 0.000 0.343 65 H C 0.017 175.347 175.328 0.003 0.000 1.232 65 H CA -0.867 55.257 56.048 0.127 0.000 1.294 65 H CB 1.208 31.012 29.762 0.072 0.000 1.746 65 H HN 0.457 nan 8.280 nan 0.000 0.593 66 E N 1.910 122.209 120.200 0.165 0.000 2.292 66 E HA 0.004 4.353 4.350 -0.001 0.000 0.265 66 E C -0.720 176.025 176.600 0.242 0.000 1.093 66 E CA -0.181 56.326 56.400 0.178 0.000 0.922 66 E CB 0.203 30.161 29.700 0.430 0.000 1.001 66 E HN 0.280 nan 8.360 nan 0.000 0.444 67 R N 4.728 125.286 120.500 0.097 0.000 2.564 67 R HA 0.360 4.700 4.340 -0.001 0.000 0.284 67 R C -2.642 173.654 176.300 -0.006 0.000 1.031 67 R CA -2.224 53.929 56.100 0.088 0.000 0.904 67 R CB 1.377 31.718 30.300 0.067 0.000 1.199 67 R HN 0.472 nan 8.270 nan 0.000 0.443 68 P HA 0.083 nan 4.420 nan 0.000 0.269 68 P C -0.578 176.808 177.300 0.142 0.000 1.215 68 P CA -0.197 62.940 63.100 0.061 0.000 0.780 68 P CB 0.354 32.054 31.700 0.001 0.000 0.898 69 F N 3.032 122.994 119.950 0.020 0.000 2.384 69 F HA 0.220 4.746 4.527 -0.002 0.000 0.359 69 F C 0.849 176.664 175.800 0.026 0.000 1.143 69 F CA -0.383 57.639 58.000 0.037 0.000 1.216 69 F CB -0.389 38.645 39.000 0.056 0.000 1.512 69 F HN 0.128 nan 8.300 nan 0.000 0.573 70 I N 6.626 127.081 120.570 -0.193 0.000 2.286 70 I HA -0.142 4.027 4.170 -0.001 0.000 0.248 70 I C -0.701 175.272 176.117 -0.241 0.000 1.115 70 I CA 0.924 62.116 61.300 -0.180 0.000 1.392 70 I CB -1.429 36.484 38.000 -0.145 0.000 1.065 70 I HN 0.398 nan 8.210 nan 0.000 0.418 71 P HA -0.183 nan 4.420 nan 0.000 0.216 71 P C 2.183 179.407 177.300 -0.127 0.000 1.150 71 P CA 1.164 64.052 63.100 -0.354 0.000 0.843 71 P CB 0.031 31.376 31.700 -0.592 0.000 0.787 72 V N -0.965 118.939 119.914 -0.016 0.000 2.667 72 V HA -0.140 3.979 4.120 -0.001 0.000 0.252 72 V C 1.942 178.078 176.094 0.069 0.000 1.065 72 V CA 1.358 63.748 62.300 0.150 0.000 1.083 72 V CB -0.964 31.058 31.823 0.332 0.000 0.692 72 V HN 0.003 nan 8.190 nan 0.000 0.468 73 L N -0.394 120.843 121.223 0.024 0.000 2.141 73 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 73 L C 2.794 179.741 176.870 0.127 0.000 1.094 73 L CA 1.599 56.445 54.840 0.010 0.000 0.763 73 L CB -0.533 41.472 42.059 -0.090 0.000 0.908 73 L HN 0.257 nan 8.230 nan 0.000 0.437 74 R N -0.407 120.124 120.500 0.053 0.000 2.092 74 R HA -0.175 4.164 4.340 -0.001 0.000 0.231 74 R C 2.246 178.561 176.300 0.026 0.000 1.119 74 R CA 1.034 57.164 56.100 0.050 0.000 0.970 74 R CB -0.247 30.054 30.300 0.001 0.000 0.864 74 R HN 0.381 nan 8.270 nan 0.000 0.440 75 Q N 0.675 120.487 119.800 0.020 0.000 2.226 75 Q HA -0.073 4.266 4.340 -0.001 0.000 0.204 75 Q C 1.553 177.537 176.000 -0.028 0.000 0.975 75 Q CA 0.961 56.770 55.803 0.010 0.000 0.866 75 Q CB 0.149 28.914 28.738 0.044 0.000 0.915 75 Q HN 0.357 nan 8.270 nan 0.000 0.440 76 L N -1.356 119.844 121.223 -0.039 0.000 2.591 76 L HA 0.145 4.484 4.340 -0.001 0.000 0.228 76 L C 1.113 177.859 176.870 -0.207 0.000 1.133 76 L CA 0.548 55.311 54.840 -0.128 0.000 0.880 76 L CB 0.290 42.208 42.059 -0.236 0.000 1.033 76 L HN 0.461 nan 8.230 nan 0.000 0.450 77 G N -0.681 108.020 108.800 -0.166 0.000 2.184 77 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.206 77 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.206 77 G C 0.019 174.697 174.900 -0.370 0.000 0.995 77 G CA -0.667 44.254 45.100 -0.299 0.000 0.651 77 G HN 0.145 nan 8.290 nan 0.000 0.511 78 F N 2.961 122.871 119.950 -0.066 0.000 2.411 78 F HA 0.618 5.144 4.527 -0.001 0.000 0.355 78 F C 1.044 176.819 175.800 -0.041 0.000 1.117 78 F CA -0.098 57.875 58.000 -0.046 0.000 1.139 78 F CB 1.572 40.542 39.000 -0.050 0.000 1.120 78 F HN 0.232 nan 8.300 nan 0.000 0.493 79 S N 1.540 117.301 115.700 0.102 0.000 2.747 79 S HA 0.997 5.467 4.470 -0.001 0.000 0.300 79 S C 0.107 174.737 174.600 0.050 0.000 1.121 79 S CA -0.254 57.977 58.200 0.052 0.000 0.995 79 S CB 1.805 65.014 63.200 0.014 0.000 1.113 79 S HN 1.350 nan 8.310 nan 0.000 0.547 80 G N 0.663 109.479 108.800 0.025 0.000 2.342 80 G HA2 0.189 4.148 3.960 -0.001 0.000 0.220 80 G HA3 0.189 4.148 3.960 -0.001 0.000 0.220 80 G C -0.254 174.650 174.900 0.006 0.000 1.243 80 G CA -0.337 44.774 45.100 0.017 0.000 1.083 80 G HN 1.878 nan 8.290 nan 0.000 0.500 81 S N -0.273 115.427 115.700 -0.000 0.000 2.645 81 S HA 0.511 4.980 4.470 -0.001 0.000 0.266 81 S C 0.952 175.540 174.600 -0.020 0.000 1.258 81 S CA 0.697 58.891 58.200 -0.011 0.000 0.990 81 S CB 1.494 64.686 63.200 -0.012 0.000 0.967 81 S HN 0.570 nan 8.310 nan 0.000 0.556 82 D N 0.787 121.168 120.400 -0.033 0.000 2.133 82 D HA -0.136 4.503 4.640 -0.001 0.000 0.195 82 D C 1.749 178.018 176.300 -0.051 0.000 0.997 82 D CA 1.627 55.597 54.000 -0.051 0.000 0.840 82 D CB -0.244 40.517 40.800 -0.066 0.000 0.947 82 D HN 0.751 nan 8.370 nan 0.000 0.452 83 E N 0.196 120.370 120.200 -0.044 0.000 2.072 83 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 83 E C 2.182 178.763 176.600 -0.031 0.000 0.985 83 E CA 0.643 57.018 56.400 -0.042 0.000 0.801 83 E CB 0.056 29.735 29.700 -0.036 0.000 0.750 83 E HN 0.411 nan 8.360 nan 0.000 0.452 84 Q N 0.076 119.865 119.800 -0.017 0.000 2.079 84 Q HA -0.120 4.219 4.340 -0.001 0.000 0.200 84 Q C 2.362 178.365 176.000 0.005 0.000 0.974 84 Q CA 1.159 56.961 55.803 -0.002 0.000 0.840 84 Q CB 0.010 28.753 28.738 0.009 0.000 0.898 84 Q HN 0.130 nan 8.270 nan 0.000 0.430 85 V N 1.176 121.090 119.914 0.000 0.000 2.287 85 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 85 V C 2.205 178.253 176.094 -0.077 0.000 1.053 85 V CA 1.561 63.861 62.300 0.001 0.000 1.027 85 V CB -0.541 31.278 31.823 -0.006 0.000 0.646 85 V HN 0.304 nan 8.190 nan 0.000 0.447 86 L N 0.209 121.384 121.223 -0.080 0.000 2.042 86 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 86 L C 2.454 179.272 176.870 -0.088 0.000 1.076 86 L CA 2.409 57.189 54.840 -0.100 0.000 0.749 86 L CB -0.698 41.313 42.059 -0.080 0.000 0.893 86 L HN 0.474 nan 8.230 nan 0.000 0.432 87 E N -0.832 119.337 120.200 -0.051 0.000 2.072 87 E HA -0.237 4.112 4.350 -0.001 0.000 0.191 87 E C 2.150 178.741 176.600 -0.015 0.000 0.985 87 E CA 1.086 57.468 56.400 -0.030 0.000 0.801 87 E CB 0.004 29.696 29.700 -0.013 0.000 0.750 87 E HN 0.493 nan 8.360 nan 0.000 0.452 88 K N 0.015 120.420 120.400 0.008 0.000 2.057 88 K HA -0.121 4.198 4.320 -0.001 0.000 0.207 88 K C 2.154 178.771 176.600 0.028 0.000 1.049 88 K CA 1.382 57.718 56.287 0.080 0.000 0.931 88 K CB -0.020 32.602 32.500 0.203 0.000 0.714 88 K HN 0.049 nan 8.250 nan 0.000 0.440 89 V N 1.307 121.094 119.914 -0.211 0.000 2.358 89 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 89 V C 2.338 178.348 176.094 -0.140 0.000 1.047 89 V CA 1.976 64.030 62.300 -0.410 0.000 1.035 89 V CB -0.628 30.822 31.823 -0.622 0.000 0.658 89 V HN 0.358 nan 8.190 nan 0.000 0.452 90 A N -0.080 122.682 122.820 -0.096 0.000 1.908 90 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 90 A C 2.316 179.897 177.584 -0.006 0.000 1.181 90 A CA 2.065 54.074 52.037 -0.047 0.000 0.627 90 A CB -0.429 18.544 19.000 -0.045 0.000 0.818 90 A HN 0.446 nan 8.150 nan 0.000 0.445 91 R N -0.515 119.993 120.500 0.013 0.000 2.055 91 R HA 0.030 4.369 4.340 -0.001 0.000 0.226 91 R C 2.412 178.757 176.300 0.075 0.000 1.135 91 R CA 1.859 57.983 56.100 0.040 0.000 0.959 91 R CB -0.582 29.744 30.300 0.043 0.000 0.854 91 R HN 0.737 nan 8.270 nan 0.000 0.431 92 Q N -1.164 118.707 119.800 0.119 0.000 2.089 92 Q HA 0.233 4.572 4.340 -0.001 0.000 0.195 92 Q C -0.057 176.074 176.000 0.218 0.000 0.963 92 Q CA 1.248 57.163 55.803 0.186 0.000 0.834 92 Q CB 0.410 29.324 28.738 0.295 0.000 0.906 92 Q HN 0.236 nan 8.270 nan 0.000 0.452 93 A N 0.826 123.772 122.820 0.209 0.000 3.409 93 A HA 0.249 4.568 4.320 -0.001 0.000 0.282 93 A C -2.166 175.409 177.584 -0.014 0.000 1.064 93 A CA -0.981 51.177 52.037 0.202 0.000 0.889 93 A CB 0.440 19.699 19.000 0.432 0.000 1.251 93 A HN -0.006 nan 8.150 nan 0.000 0.538 94 P HA -0.261 nan 4.420 nan 0.000 0.220 94 P C 1.073 178.347 177.300 -0.043 0.000 1.144 94 P CA 1.934 65.023 63.100 -0.018 0.000 0.800 94 P CB -0.316 31.395 31.700 0.018 0.000 0.772 95 H N -3.438 115.579 119.070 -0.088 0.000 2.491 95 H HA -0.058 4.497 4.556 -0.001 0.000 0.290 95 H C 1.783 177.036 175.328 -0.124 0.000 1.050 95 H CA 0.743 56.696 56.048 -0.158 0.000 1.309 95 H CB -1.442 28.147 29.762 -0.288 0.000 1.392 95 H HN 0.186 nan 8.280 nan 0.000 0.554 96 W N 1.002 122.031 121.300 -0.452 0.000 2.467 96 W HA 0.053 4.713 4.660 -0.000 0.000 0.275 96 W C 1.769 178.250 176.519 -0.063 0.000 1.239 96 W CA 0.228 57.441 57.345 -0.221 0.000 1.266 96 W CB 0.014 29.299 29.460 -0.291 0.000 1.112 96 W HN 0.165 nan 8.180 nan 0.000 0.576 97 L N -0.318 120.963 121.223 0.097 0.000 1.990 97 L HA -0.341 3.999 4.340 -0.001 0.000 0.213 97 L C 2.695 179.612 176.870 0.078 0.000 1.072 97 L CA 1.768 56.634 54.840 0.043 0.000 0.755 97 L CB -1.355 40.684 42.059 -0.034 0.000 0.889 97 L HN -0.044 nan 8.230 nan 0.000 0.432 98 S N -0.763 114.992 115.700 0.091 0.000 2.368 98 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 98 S C 2.130 176.889 174.600 0.266 0.000 1.030 98 S CA 1.773 60.085 58.200 0.187 0.000 0.999 98 S CB -0.158 63.172 63.200 0.216 0.000 0.844 98 S HN 0.427 nan 8.310 nan 0.000 0.459 99 S N 0.727 116.598 115.700 0.286 0.000 2.442 99 S HA -0.046 4.424 4.470 -0.001 0.000 0.236 99 S C 1.500 176.321 174.600 0.369 0.000 1.007 99 S CA 1.176 59.615 58.200 0.400 0.000 0.965 99 S CB -0.055 63.562 63.200 0.695 0.000 0.773 99 S HN 0.737 nan 8.310 nan 0.000 0.504 100 V N -1.909 118.195 119.914 0.317 0.000 3.319 100 V HA 0.441 4.560 4.120 -0.001 0.000 0.317 100 V C 0.417 176.631 176.094 0.199 0.000 1.411 100 V CA -0.105 62.344 62.300 0.248 0.000 1.112 100 V CB 0.340 32.323 31.823 0.266 0.000 1.031 100 V HN 0.208 nan 8.190 nan 0.000 0.448 101 S N -0.040 115.780 115.700 0.200 0.000 2.846 101 S HA 0.293 4.762 4.470 -0.001 0.000 0.249 101 S C 0.604 175.376 174.600 0.285 0.000 1.028 101 S CA 0.177 58.480 58.200 0.171 0.000 1.043 101 S CB 0.449 63.672 63.200 0.039 0.000 0.990 101 S HN 0.568 nan 8.310 nan 0.000 0.564 102 S N 1.802 117.652 115.700 0.251 0.000 2.564 102 S HA 0.509 4.978 4.470 -0.001 0.000 0.278 102 S C 0.956 175.605 174.600 0.081 0.000 1.333 102 S CA -0.253 58.045 58.200 0.164 0.000 1.048 102 S CB 0.867 64.189 63.200 0.203 0.000 0.900 102 S HN 0.470 nan 8.310 nan 0.000 0.505 103 A N 3.592 126.422 122.820 0.017 0.000 2.370 103 A HA 0.208 4.527 4.320 -0.001 0.000 0.238 103 A C 1.890 179.305 177.584 -0.281 0.000 1.289 103 A CA 0.484 52.477 52.037 -0.075 0.000 0.885 103 A CB -0.853 18.141 19.000 -0.009 0.000 0.961 103 A HN 1.112 nan 8.150 nan 0.000 0.499 104 S N 0.223 115.818 115.700 -0.175 0.000 2.420 104 S HA -0.066 4.403 4.470 -0.001 0.000 0.237 104 S C -1.171 173.289 174.600 -0.233 0.000 1.023 104 S CA 0.445 58.537 58.200 -0.179 0.000 0.991 104 S CB -1.452 61.935 63.200 0.311 0.000 0.792 104 S HN 0.400 nan 8.310 nan 0.000 0.488 108 V N -0.134 119.888 119.914 0.180 0.000 3.241 108 V HA -0.032 4.087 4.120 -0.001 0.000 0.269 108 V C 1.826 177.994 176.094 0.122 0.000 1.151 108 V CA 2.053 64.430 62.300 0.129 0.000 1.158 108 V CB -0.602 31.293 31.823 0.120 0.000 0.764 108 V HN 0.256 nan 8.190 nan 0.000 0.508 109 A N 1.256 124.166 122.820 0.150 0.000 2.070 109 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 109 A C 1.850 179.458 177.584 0.040 0.000 1.159 109 A CA 1.964 54.058 52.037 0.094 0.000 0.656 109 A CB -0.827 18.234 19.000 0.101 0.000 0.800 109 A HN 0.710 nan 8.150 nan 0.000 0.453 110 N N -0.685 118.053 118.700 0.063 0.000 2.236 110 N HA 0.318 5.057 4.740 -0.001 0.000 0.196 110 N C 1.468 177.001 175.510 0.039 0.000 1.114 110 N CA 0.479 53.541 53.050 0.020 0.000 0.859 110 N CB 0.174 38.691 38.487 0.049 0.000 0.982 110 N HN 0.406 nan 8.380 nan 0.000 0.493 111 A N 0.546 123.396 122.820 0.050 0.000 1.902 111 A HA 0.384 4.704 4.320 -0.001 0.000 0.217 111 A C 1.051 178.647 177.584 0.021 0.000 1.181 111 A CA 1.580 53.643 52.037 0.043 0.000 0.623 111 A CB -0.070 18.962 19.000 0.052 0.000 0.818 111 A HN 0.325 nan 8.150 nan 0.000 0.443 112 A N -3.459 119.361 122.820 -0.001 0.000 2.467 112 A HA 0.595 4.914 4.320 -0.001 0.000 0.301 112 A C -0.676 176.877 177.584 -0.050 0.000 1.126 112 A CA 0.005 52.031 52.037 -0.019 0.000 0.632 112 A CB 0.025 18.999 19.000 -0.044 0.000 1.331 112 A HN 0.201 nan 8.150 nan 0.000 0.482 113 T N 1.571 116.085 114.554 -0.068 0.000 2.807 113 T HA 0.598 4.947 4.350 -0.001 0.000 0.279 113 T C -0.455 174.141 174.700 -0.173 0.000 0.993 113 T CA -0.264 61.734 62.100 -0.170 0.000 0.970 113 T CB 0.726 69.509 68.868 -0.142 0.000 0.950 113 T HN 0.446 nan 8.240 nan 0.000 0.441 114 I N 2.369 122.803 120.570 -0.227 0.000 2.460 114 I HA 0.668 4.837 4.170 -0.001 0.000 0.298 114 I C 0.173 176.257 176.117 -0.055 0.000 0.989 114 I CA -1.311 59.914 61.300 -0.126 0.000 1.173 114 I CB 1.181 39.123 38.000 -0.097 0.000 1.338 114 I HN 0.734 nan 8.210 nan 0.000 0.456 115 A N 7.920 130.761 122.820 0.035 0.000 2.363 115 A HA 0.748 5.067 4.320 -0.001 0.000 0.296 115 A C -2.647 175.009 177.584 0.119 0.000 1.237 115 A CA -1.402 50.699 52.037 0.107 0.000 0.773 115 A CB 0.697 19.777 19.000 0.134 0.000 1.153 115 A HN 0.409 nan 8.150 nan 0.000 0.473 116 P HA 0.050 nan 4.420 nan 0.000 0.269 116 P C 1.239 178.606 177.300 0.112 0.000 1.215 116 P CA 0.218 63.382 63.100 0.107 0.000 0.780 116 P CB 0.845 32.614 31.700 0.116 0.000 0.898 117 S N 1.456 117.211 115.700 0.092 0.000 2.440 117 S HA -0.192 4.278 4.470 -0.001 0.000 0.238 117 S C 1.730 176.374 174.600 0.073 0.000 1.010 117 S CA 1.082 59.329 58.200 0.078 0.000 0.972 117 S CB -1.195 62.021 63.200 0.027 0.000 0.774 117 S HN 0.488 nan 8.310 nan 0.000 0.501 118 A N 1.334 124.201 122.820 0.078 0.000 2.168 118 A HA 0.056 4.375 4.320 -0.001 0.000 0.215 118 A C 1.432 179.059 177.584 0.071 0.000 1.152 118 A CA 1.089 53.169 52.037 0.072 0.000 0.716 118 A CB -0.194 18.858 19.000 0.086 0.000 0.794 118 A HN 0.526 nan 8.150 nan 0.000 0.465 119 D N -0.831 119.617 120.400 0.081 0.000 2.441 119 D HA 0.070 4.709 4.640 -0.001 0.000 0.210 119 D C 0.742 177.078 176.300 0.060 0.000 1.102 119 D CA 0.917 54.961 54.000 0.073 0.000 0.840 119 D CB 0.105 40.959 40.800 0.090 0.000 0.990 119 D HN 0.492 nan 8.370 nan 0.000 0.505 120 T N -1.582 113.014 114.554 0.070 0.000 2.922 120 T HA 0.399 4.748 4.350 -0.001 0.000 0.285 120 T C 1.553 176.276 174.700 0.038 0.000 1.005 120 T CA -0.648 61.480 62.100 0.047 0.000 1.061 120 T CB 1.628 70.570 68.868 0.125 0.000 1.007 120 T HN -0.157 nan 8.240 nan 0.000 0.502 121 L N 0.968 122.193 121.223 0.005 0.000 2.217 121 L HA 0.062 4.401 4.340 -0.001 0.000 0.211 121 L C 1.706 178.598 176.870 0.037 0.000 1.107 121 L CA 1.114 55.961 54.840 0.012 0.000 0.783 121 L CB -0.457 41.595 42.059 -0.012 0.000 0.919 121 L HN 0.812 nan 8.230 nan 0.000 0.442 122 D N -1.365 119.081 120.400 0.077 0.000 2.402 122 D HA 0.127 4.766 4.640 -0.001 0.000 0.216 122 D C 1.380 177.729 176.300 0.082 0.000 1.128 122 D CA 0.351 54.405 54.000 0.091 0.000 0.833 122 D CB 0.172 41.053 40.800 0.135 0.000 0.971 122 D HN 0.124 nan 8.370 nan 0.000 0.503 123 G N 0.222 109.069 108.800 0.078 0.000 2.180 123 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.263 123 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.263 123 G C 0.205 175.123 174.900 0.029 0.000 0.989 123 G CA 0.658 45.787 45.100 0.048 0.000 0.692 123 G HN 0.493 nan 8.290 nan 0.000 0.526 124 K N -0.832 119.607 120.400 0.065 0.000 2.211 124 K HA 0.655 4.975 4.320 -0.001 0.000 0.237 124 K C 0.181 176.780 176.600 -0.002 0.000 1.002 124 K CA -0.995 55.259 56.287 -0.055 0.000 0.885 124 K CB 2.207 34.608 32.500 -0.166 0.000 1.136 124 K HN -0.009 nan 8.250 nan 0.000 0.448 125 V N 2.676 122.531 119.914 -0.098 0.000 2.461 125 V HA 0.104 4.223 4.120 -0.001 0.000 0.275 125 V C -0.093 175.943 176.094 -0.096 0.000 1.047 125 V CA -0.256 62.055 62.300 0.018 0.000 0.955 125 V CB 0.328 32.238 31.823 0.146 0.000 0.988 125 V HN 0.594 nan 8.190 nan 0.000 0.471 126 H N 5.270 124.353 119.070 0.022 0.000 2.469 126 H HA 0.617 5.173 4.556 -0.001 0.000 0.342 126 H C -1.185 174.114 175.328 -0.049 0.000 1.115 126 H CA -0.678 55.385 56.048 0.025 0.000 1.204 126 H CB 2.218 32.079 29.762 0.165 0.000 1.492 126 H HN 0.362 nan 8.280 nan 0.000 0.499 127 L N 2.473 123.679 121.223 -0.027 0.000 2.406 127 L HA 0.244 4.584 4.340 -0.001 0.000 0.272 127 L C 0.099 176.971 176.870 0.002 0.000 0.980 127 L CA -0.323 54.461 54.840 -0.094 0.000 0.831 127 L CB 2.004 43.891 42.059 -0.286 0.000 1.253 127 L HN 0.525 nan 8.230 nan 0.000 0.406 128 T N 2.285 116.880 114.554 0.069 0.000 2.772 128 T HA 0.481 4.830 4.350 -0.001 0.000 0.288 128 T C 0.148 174.879 174.700 0.051 0.000 0.994 128 T CA -0.475 61.696 62.100 0.117 0.000 0.951 128 T CB 1.324 70.284 68.868 0.153 0.000 0.933 128 T HN 0.195 nan 8.240 nan 0.000 0.447 129 V N 3.185 123.125 119.914 0.044 0.000 2.673 129 V HA 0.319 4.438 4.120 -0.001 0.000 0.303 129 V C 0.889 177.010 176.094 0.045 0.000 1.046 129 V CA -0.495 61.824 62.300 0.032 0.000 1.126 129 V CB 0.266 32.107 31.823 0.030 0.000 0.934 129 V HN 1.033 nan 8.190 nan 0.000 0.487 130 A N 3.896 126.740 122.820 0.041 0.000 2.328 130 A HA 0.430 4.749 4.320 -0.001 0.000 0.284 130 A C 1.102 178.715 177.584 0.048 0.000 1.160 130 A CA -0.344 51.723 52.037 0.050 0.000 0.818 130 A CB 0.144 19.172 19.000 0.047 0.000 1.087 130 A HN 1.014 nan 8.150 nan 0.000 0.504 131 N N 2.471 121.204 118.700 0.054 0.000 2.309 131 N HA -0.126 4.613 4.740 -0.001 0.000 0.182 131 N C 0.476 176.012 175.510 0.044 0.000 1.018 131 N CA 1.042 54.121 53.050 0.048 0.000 0.876 131 N CB -0.803 37.716 38.487 0.053 0.000 0.972 131 N HN 0.725 nan 8.380 nan 0.000 0.434 132 L N 0.067 121.323 121.223 0.056 0.000 3.742 132 L HA -0.271 4.068 4.340 -0.001 0.000 0.431 132 L C 1.194 178.093 176.870 0.048 0.000 1.220 132 L CA 0.444 55.316 54.840 0.054 0.000 0.863 132 L CB -1.953 40.121 42.059 0.024 0.000 1.751 132 L HN 0.490 nan 8.230 nan 0.000 0.922 133 N N 1.066 119.807 118.700 0.068 0.000 2.289 133 N HA -0.203 4.536 4.740 -0.001 0.000 0.184 133 N C 1.473 177.041 175.510 0.097 0.000 1.016 133 N CA 1.576 54.674 53.050 0.081 0.000 0.872 133 N CB 0.049 38.586 38.487 0.082 0.000 0.973 133 N HN 0.694 nan 8.380 nan 0.000 0.433 134 N N 0.479 119.235 118.700 0.092 0.000 2.069 134 N HA -0.118 4.621 4.740 -0.001 0.000 0.191 134 N C -0.411 175.163 175.510 0.106 0.000 1.031 134 N CA 1.022 54.130 53.050 0.096 0.000 0.852 134 N CB 0.127 38.667 38.487 0.089 0.000 1.018 134 N HN 0.101 nan 8.380 nan 0.000 0.423 135 K N 0.932 121.376 120.400 0.075 0.000 2.265 135 K HA 0.057 4.376 4.320 -0.001 0.000 0.267 135 K C 0.438 177.110 176.600 0.120 0.000 0.994 135 K CA -0.564 55.780 56.287 0.097 0.000 0.860 135 K CB 0.937 33.410 32.500 -0.045 0.000 1.099 135 K HN 0.074 nan 8.250 nan 0.000 0.448 136 F N 4.643 124.686 119.950 0.154 0.000 2.063 136 F HA -0.357 4.169 4.527 -0.002 0.000 0.298 136 F C 2.461 178.370 175.800 0.183 0.000 1.109 136 F CA 2.088 60.201 58.000 0.188 0.000 1.212 136 F CB 0.100 39.267 39.000 0.278 0.000 0.973 136 F HN 0.786 nan 8.300 nan 0.000 0.480 137 H N 0.148 119.193 119.070 -0.041 0.000 2.457 137 H HA -0.082 4.473 4.556 -0.001 0.000 0.297 137 H C 1.859 177.109 175.328 -0.130 0.000 1.092 137 H CA 1.645 57.601 56.048 -0.155 0.000 1.309 137 H CB -0.794 29.008 29.762 0.068 0.000 1.382 137 H HN 0.376 nan 8.280 nan 0.000 0.535 138 R N 0.834 121.013 120.500 -0.534 0.000 2.210 138 R HA 0.013 4.352 4.340 -0.001 0.000 0.203 138 R C 2.535 178.728 176.300 -0.177 0.000 1.010 138 R CA 0.829 56.732 56.100 -0.328 0.000 1.008 138 R CB 0.089 30.199 30.300 -0.317 0.000 0.923 138 R HN 0.489 nan 8.270 nan 0.000 0.469 139 S N 1.081 116.684 115.700 -0.162 0.000 2.447 139 S HA -0.046 4.423 4.470 -0.001 0.000 0.233 139 S C 1.974 176.504 174.600 -0.117 0.000 1.006 139 S CA 0.708 58.859 58.200 -0.082 0.000 0.957 139 S CB -0.347 62.849 63.200 -0.006 0.000 0.773 139 S HN 0.224 nan 8.310 nan 0.000 0.507 140 L N 0.841 121.930 121.223 -0.224 0.000 2.376 140 L HA 0.021 4.360 4.340 -0.001 0.000 0.219 140 L C 2.639 179.378 176.870 -0.218 0.000 1.133 140 L CA 1.029 55.717 54.840 -0.254 0.000 0.816 140 L CB -0.606 41.235 42.059 -0.364 0.000 0.933 140 L HN 0.387 nan 8.230 nan 0.000 0.449 141 E N 0.736 120.864 120.200 -0.120 0.000 2.047 141 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 141 E C 2.409 179.039 176.600 0.050 0.000 0.987 141 E CA 0.988 57.394 56.400 0.009 0.000 0.799 141 E CB -0.195 29.502 29.700 -0.006 0.000 0.752 141 E HN 0.463 nan 8.360 nan 0.000 0.449 142 A N 2.123 124.952 122.820 0.015 0.000 1.906 142 A HA -0.244 4.075 4.320 -0.001 0.000 0.222 142 A C -0.223 177.368 177.584 0.011 0.000 1.282 142 A CA 2.360 54.411 52.037 0.023 0.000 0.675 142 A CB -1.909 17.103 19.000 0.021 0.000 0.838 142 A HN 0.183 nan 8.150 nan 0.000 0.469 143 P HA -0.106 nan 4.420 nan 0.000 0.215 143 P C 1.603 178.878 177.300 -0.041 0.000 1.157 143 P CA 1.601 64.699 63.100 -0.005 0.000 0.868 143 P CB -0.164 31.550 31.700 0.023 0.000 0.788 144 V N -0.839 119.020 119.914 -0.091 0.000 2.453 144 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 144 V C 2.302 178.262 176.094 -0.223 0.000 1.048 144 V CA 2.309 64.480 62.300 -0.215 0.000 1.049 144 V CB -1.755 29.815 31.823 -0.421 0.000 0.672 144 V HN 0.180 nan 8.190 nan 0.000 0.457 145 T N -0.550 113.974 114.554 -0.049 0.000 2.788 145 T HA -0.232 4.118 4.350 -0.001 0.000 0.268 145 T C 1.868 176.563 174.700 -0.009 0.000 1.044 145 T CA 1.766 63.899 62.100 0.056 0.000 1.139 145 T CB -0.158 68.790 68.868 0.133 0.000 0.867 145 T HN 0.597 nan 8.240 nan 0.000 0.454 146 E N 0.595 120.781 120.200 -0.023 0.000 2.077 146 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 146 E C 2.347 178.912 176.600 -0.059 0.000 0.989 146 E CA 1.120 57.502 56.400 -0.029 0.000 0.800 146 E CB -0.018 29.672 29.700 -0.018 0.000 0.746 146 E HN 0.357 nan 8.360 nan 0.000 0.452 147 S N 0.800 116.444 115.700 -0.093 0.000 2.368 147 S HA -0.132 4.337 4.470 -0.001 0.000 0.225 147 S C 1.998 176.503 174.600 -0.158 0.000 1.030 147 S CA 0.886 59.008 58.200 -0.131 0.000 0.999 147 S CB -0.211 62.885 63.200 -0.174 0.000 0.844 147 S HN 0.256 nan 8.310 nan 0.000 0.459 148 L N 1.034 122.154 121.223 -0.172 0.000 2.017 148 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 148 L C 2.281 179.093 176.870 -0.098 0.000 1.073 148 L CA 1.111 55.855 54.840 -0.160 0.000 0.745 148 L CB -0.655 41.338 42.059 -0.110 0.000 0.894 148 L HN 0.284 nan 8.230 nan 0.000 0.432 149 L N -0.322 120.880 121.223 -0.035 0.000 2.083 149 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 149 L C 2.556 179.448 176.870 0.038 0.000 1.083 149 L CA 1.374 56.247 54.840 0.054 0.000 0.752 149 L CB -0.463 41.627 42.059 0.052 0.000 0.899 149 L HN 0.242 nan 8.230 nan 0.000 0.433 150 K N -0.099 120.284 120.400 -0.027 0.000 2.288 150 K HA -0.050 4.270 4.320 -0.001 0.000 0.201 150 K C 2.046 178.605 176.600 -0.069 0.000 1.048 150 K CA 1.039 57.306 56.287 -0.034 0.000 0.956 150 K CB -0.056 32.417 32.500 -0.045 0.000 0.746 150 K HN 0.269 nan 8.250 nan 0.000 0.461 151 A N 0.589 123.341 122.820 -0.114 0.000 2.081 151 A HA 0.059 4.378 4.320 -0.001 0.000 0.214 151 A C 1.870 179.342 177.584 -0.187 0.000 1.158 151 A CA 0.623 52.576 52.037 -0.140 0.000 0.724 151 A CB -0.108 18.792 19.000 -0.166 0.000 0.826 151 A HN 0.107 nan 8.150 nan 0.000 0.463 152 I N -2.250 118.160 120.570 -0.267 0.000 2.556 152 I HA 0.038 4.207 4.170 -0.001 0.000 0.251 152 I C 0.070 175.744 176.117 -0.739 0.000 1.105 152 I CA 0.653 61.655 61.300 -0.497 0.000 1.436 152 I CB 0.115 37.724 38.000 -0.651 0.000 1.139 152 I HN 0.219 nan 8.210 nan 0.000 0.438 153 F N 1.568 121.306 119.950 -0.353 0.000 2.461 153 F HA 0.258 4.784 4.527 -0.001 0.000 0.321 153 F C 1.371 177.060 175.800 -0.185 0.000 1.203 153 F CA -0.243 57.392 58.000 -0.608 0.000 1.238 153 F CB -0.518 37.948 39.000 -0.890 0.000 1.528 153 F HN 0.022 nan 8.300 nan 0.000 0.554 154 N N 0.622 119.323 118.700 0.002 0.000 2.354 154 N HA -0.140 4.599 4.740 -0.001 0.000 0.179 154 N C 0.233 175.830 175.510 0.145 0.000 1.021 154 N CA 0.438 53.523 53.050 0.059 0.000 0.887 154 N CB 0.127 38.609 38.487 -0.007 0.000 0.974 154 N HN 0.291 nan 8.380 nan 0.000 0.437 155 D N 1.879 122.440 120.400 0.268 0.000 2.346 155 D HA -0.021 4.618 4.640 -0.001 0.000 0.267 155 D C 0.547 176.937 176.300 0.150 0.000 1.320 155 D CA 0.253 54.367 54.000 0.191 0.000 0.951 155 D CB 0.497 41.406 40.800 0.181 0.000 1.079 155 D HN 0.237 nan 8.370 nan 0.000 0.509 156 E N 2.304 122.541 120.200 0.061 0.000 2.409 156 E HA -0.139 4.210 4.350 -0.001 0.000 0.198 156 E C 0.985 177.551 176.600 -0.056 0.000 1.024 156 E CA 0.576 56.983 56.400 0.012 0.000 0.861 156 E CB 0.323 30.024 29.700 0.002 0.000 0.788 156 E HN 0.638 nan 8.360 nan 0.000 0.521 157 E N 0.496 120.649 120.200 -0.078 0.000 2.358 157 E HA -0.057 4.293 4.350 -0.001 0.000 0.195 157 E C 1.537 178.012 176.600 -0.208 0.000 1.010 157 E CA 0.556 56.889 56.400 -0.111 0.000 0.856 157 E CB 0.272 29.919 29.700 -0.087 0.000 0.795 157 E HN 0.138 nan 8.360 nan 0.000 0.504 158 K N -0.317 119.870 120.400 -0.355 0.000 2.399 158 K HA 0.167 4.487 4.320 -0.001 0.000 0.196 158 K C 0.081 176.136 176.600 -0.908 0.000 1.117 158 K CA 0.289 56.154 56.287 -0.703 0.000 0.965 158 K CB 0.833 32.717 32.500 -1.027 0.000 0.983 158 K HN -0.045 nan 8.250 nan 0.000 0.531 159 F N 0.794 120.693 119.950 -0.084 0.000 2.551 159 F HA 0.354 4.880 4.527 -0.001 0.000 0.316 159 F C -0.161 175.499 175.800 -0.234 0.000 1.089 159 F CA -1.083 56.826 58.000 -0.153 0.000 0.915 159 F CB 2.186 41.157 39.000 -0.050 0.000 1.186 159 F HN -0.343 nan 8.300 nan 0.000 0.456 160 S N 1.824 117.395 115.700 -0.214 0.000 2.774 160 S HA 0.506 4.976 4.470 -0.001 0.000 0.297 160 S C -0.844 173.431 174.600 -0.543 0.000 1.143 160 S CA -0.666 57.299 58.200 -0.392 0.000 1.090 160 S CB 1.353 64.205 63.200 -0.580 0.000 1.019 160 S HN 0.332 nan 8.310 nan 0.000 0.482 161 V N 5.590 125.259 119.914 -0.408 0.000 2.383 161 V HA 0.373 4.492 4.120 -0.001 0.000 0.275 161 V C -0.186 175.665 176.094 -0.406 0.000 1.036 161 V CA -0.534 61.554 62.300 -0.353 0.000 0.889 161 V CB 0.549 32.281 31.823 -0.151 0.000 0.985 161 V HN 0.765 nan 8.190 nan 0.000 0.459 162 H N 2.004 121.089 119.070 0.024 0.000 2.472 162 H HA 0.464 5.019 4.556 -0.001 0.000 0.338 162 H C 0.115 175.456 175.328 0.021 0.000 1.133 162 H CA -0.606 55.462 56.048 0.034 0.000 1.216 162 H CB 1.828 31.624 29.762 0.056 0.000 1.497 162 H HN 0.562 nan 8.280 nan 0.000 0.500 163 S N 0.834 116.614 115.700 0.133 0.000 2.584 163 S HA 0.292 4.762 4.470 -0.001 0.000 0.270 163 S C 0.676 175.324 174.600 0.078 0.000 1.346 163 S CA -0.565 57.681 58.200 0.078 0.000 1.018 163 S CB 0.691 63.927 63.200 0.061 0.000 0.899 163 S HN 0.771 nan 8.310 nan 0.000 0.542 164 A N 2.027 124.882 122.820 0.057 0.000 2.466 164 A HA 0.355 4.674 4.320 -0.001 0.000 0.238 164 A C 0.336 177.950 177.584 0.049 0.000 1.074 164 A CA -0.329 51.741 52.037 0.054 0.000 0.774 164 A CB -0.227 18.801 19.000 0.046 0.000 1.015 164 A HN 0.764 nan 8.150 nan 0.000 0.498 165 L N 1.345 122.596 121.223 0.047 0.000 2.476 165 L HA 0.183 4.522 4.340 -0.001 0.000 0.264 165 L C -1.858 175.034 176.870 0.037 0.000 1.224 165 L CA -1.518 53.344 54.840 0.036 0.000 0.821 165 L CB -0.223 41.856 42.059 0.033 0.000 1.101 165 L HN 0.454 nan 8.230 nan 0.000 0.488 166 P HA -0.077 nan 4.420 nan 0.000 0.264 166 P C -0.940 176.385 177.300 0.041 0.000 1.179 166 P CA 0.140 63.260 63.100 0.033 0.000 0.763 166 P CB 0.268 31.983 31.700 0.024 0.000 0.806 167 Q N 2.144 121.974 119.800 0.049 0.000 2.664 167 Q HA 0.233 4.573 4.340 -0.001 0.000 0.223 167 Q C -0.208 175.829 176.000 0.062 0.000 1.298 167 Q CA 0.092 55.931 55.803 0.060 0.000 0.965 167 Q CB -0.163 28.617 28.738 0.070 0.000 1.510 167 Q HN 0.266 nan 8.270 nan 0.000 0.567 168 V N -2.924 117.024 119.914 0.056 0.000 3.012 168 V HA 0.663 4.783 4.120 -0.001 0.000 0.307 168 V C 0.813 176.940 176.094 0.054 0.000 1.166 168 V CA -0.598 61.734 62.300 0.053 0.000 0.974 168 V CB 1.476 33.323 31.823 0.039 0.000 1.040 168 V HN 0.345 nan 8.190 nan 0.000 0.428 169 A N 1.952 124.806 122.820 0.057 0.000 1.978 169 A HA -0.121 4.198 4.320 -0.001 0.000 0.220 169 A C 1.755 179.368 177.584 0.048 0.000 1.170 169 A CA 2.307 54.379 52.037 0.059 0.000 0.636 169 A CB -0.643 18.392 19.000 0.058 0.000 0.810 169 A HN 1.412 nan 8.150 nan 0.000 0.448 170 L N -1.003 120.241 121.223 0.034 0.000 2.191 170 L HA 0.020 4.360 4.340 -0.001 0.000 0.212 170 L C 1.224 178.102 176.870 0.013 0.000 1.103 170 L CA 1.657 56.508 54.840 0.018 0.000 0.769 170 L CB -0.196 41.867 42.059 0.007 0.000 0.908 170 L HN 0.357 nan 8.230 nan 0.000 0.438 171 L N 0.023 121.261 121.223 0.025 0.000 3.154 171 L HA 0.385 4.725 4.340 -0.001 0.000 0.266 171 L C 0.784 177.684 176.870 0.051 0.000 1.300 171 L CA -0.386 54.469 54.840 0.026 0.000 1.028 171 L CB -0.153 41.916 42.059 0.018 0.000 1.412 171 L HN 0.194 nan 8.230 nan 0.000 0.564 172 G N 0.201 109.040 108.800 0.066 0.000 2.254 172 G HA2 0.141 4.101 3.960 -0.001 0.000 0.253 172 G HA3 0.141 4.101 3.960 -0.001 0.000 0.253 172 G C -0.848 174.116 174.900 0.107 0.000 1.246 172 G CA 0.207 45.360 45.100 0.090 0.000 0.946 172 G HN 0.243 nan 8.290 nan 0.000 0.474 173 D N 1.050 121.514 120.400 0.108 0.000 2.757 173 D HA 0.299 4.939 4.640 -0.001 0.000 0.249 173 D C 0.467 176.837 176.300 0.116 0.000 1.168 173 D CA -0.636 53.437 54.000 0.121 0.000 0.870 173 D CB 1.454 42.315 40.800 0.102 0.000 1.411 173 D HN 0.235 nan 8.370 nan 0.000 0.525 174 E N 2.311 122.587 120.200 0.127 0.000 2.548 174 E HA 0.301 4.651 4.350 -0.001 0.000 0.206 174 E C 1.104 177.702 176.600 -0.003 0.000 1.005 174 E CA 0.071 56.518 56.400 0.077 0.000 0.951 174 E CB 0.612 30.394 29.700 0.135 0.000 1.035 174 E HN 0.790 nan 8.360 nan 0.000 0.470 175 G N 1.806 110.632 108.800 0.044 0.000 2.569 175 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.259 175 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.259 175 G C 1.102 175.998 174.900 -0.007 0.000 1.263 175 G CA 0.569 45.679 45.100 0.017 0.000 0.928 175 G HN 0.349 nan 8.290 nan 0.000 0.572 176 A N -0.652 122.151 122.820 -0.029 0.000 1.986 176 A HA 0.170 4.489 4.320 -0.001 0.000 0.220 176 A C 3.028 180.620 177.584 0.014 0.000 1.171 176 A CA 3.584 55.619 52.037 -0.003 0.000 0.640 176 A CB -1.059 17.945 19.000 0.006 0.000 0.811 176 A HN 2.452 nan 8.150 nan 0.000 0.451 177 A N -0.368 122.421 122.820 -0.051 0.000 2.084 177 A HA -0.177 4.142 4.320 -0.001 0.000 0.221 177 A C 1.573 179.136 177.584 -0.035 0.000 1.161 177 A CA 1.719 53.697 52.037 -0.098 0.000 0.653 177 A CB -0.375 18.410 19.000 -0.358 0.000 0.802 177 A HN 0.553 nan 8.150 nan 0.000 0.457 178 N N -1.380 117.329 118.700 0.016 0.000 2.204 178 N HA 0.077 4.816 4.740 -0.001 0.000 0.219 178 N C -0.255 175.304 175.510 0.082 0.000 1.151 178 N CA -0.026 53.074 53.050 0.084 0.000 0.867 178 N CB 0.130 38.712 38.487 0.157 0.000 1.043 178 N HN 0.703 nan 8.380 nan 0.000 0.516 179 H N 0.771 119.773 119.070 -0.113 0.000 2.567 179 H HA 0.412 4.967 4.556 -0.001 0.000 0.345 179 H C -0.754 174.477 175.328 -0.160 0.000 1.169 179 H CA -0.180 55.709 56.048 -0.266 0.000 1.227 179 H CB 1.289 30.841 29.762 -0.350 0.000 1.607 179 H HN 0.006 nan 8.280 nan 0.000 0.534 180 N N 1.958 120.226 118.700 -0.719 0.000 2.484 180 N HA 0.206 4.945 4.740 -0.001 0.000 0.269 180 N C -1.381 173.809 175.510 -0.533 0.000 1.237 180 N CA -0.702 52.101 53.050 -0.412 0.000 0.838 180 N CB 3.058 41.426 38.487 -0.199 0.000 1.593 180 N HN 0.539 nan 8.380 nan 0.000 0.485 181 R N 1.619 121.988 120.500 -0.219 0.000 2.510 181 R HA 0.499 4.838 4.340 -0.001 0.000 0.294 181 R C -1.670 174.632 176.300 0.004 0.000 1.056 181 R CA -0.388 55.641 56.100 -0.119 0.000 0.918 181 R CB 0.963 31.250 30.300 -0.023 0.000 1.187 181 R HN 0.514 nan 8.270 nan 0.000 0.437 182 L N 3.441 124.664 121.223 0.001 0.000 2.342 182 L HA 0.900 5.239 4.340 -0.001 0.000 0.271 182 L C 0.376 177.278 176.870 0.053 0.000 1.008 182 L CA -0.529 54.345 54.840 0.056 0.000 0.818 182 L CB 2.349 44.454 42.059 0.077 0.000 1.296 182 L HN 0.926 nan 8.230 nan 0.000 0.427 183 G N 0.416 109.254 108.800 0.063 0.000 2.317 183 G HA2 0.387 4.346 3.960 -0.001 0.000 0.293 183 G HA3 0.387 4.346 3.960 -0.001 0.000 0.293 183 G C -0.287 174.622 174.900 0.015 0.000 1.287 183 G CA -0.148 44.983 45.100 0.051 0.000 0.850 183 G HN 0.806 nan 8.290 nan 0.000 0.515 184 G N -0.941 107.877 108.800 0.030 0.000 2.830 184 G HA2 0.398 4.357 3.960 -0.001 0.000 0.172 184 G HA3 0.398 4.357 3.960 -0.001 0.000 0.172 184 G C 0.196 175.027 174.900 -0.114 0.000 1.782 184 G CA 0.318 45.408 45.100 -0.016 0.000 0.900 184 G HN 0.803 nan 8.290 nan 0.000 0.389 185 H N -0.993 118.055 119.070 -0.037 0.000 2.629 185 H HA 0.279 4.834 4.556 -0.001 0.000 0.357 185 H C 1.000 176.347 175.328 0.031 0.000 1.121 185 H CA -0.067 55.951 56.048 -0.050 0.000 1.406 185 H CB 0.614 30.392 29.762 0.025 0.000 1.456 185 H HN 0.428 nan 8.280 nan 0.000 0.579 186 Y N 1.203 121.625 120.300 0.204 0.000 2.139 186 Y HA -0.265 4.284 4.550 -0.001 0.000 0.282 186 Y C 2.609 178.603 175.900 0.156 0.000 1.179 186 Y CA 0.948 59.151 58.100 0.170 0.000 1.161 186 Y CB -0.244 38.334 38.460 0.197 0.000 0.970 186 Y HN 0.853 nan 8.280 nan 0.000 0.511 187 G N -0.416 108.584 108.800 0.333 0.000 2.559 187 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.216 187 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.216 187 G C 0.278 175.265 174.900 0.144 0.000 1.126 187 G CA 0.109 45.330 45.100 0.202 0.000 0.778 187 G HN 0.327 nan 8.290 nan 0.000 0.543 188 E N 0.396 120.690 120.200 0.157 0.000 2.318 188 E HA 0.264 4.613 4.350 -0.001 0.000 0.265 188 E C -2.380 174.283 176.600 0.106 0.000 1.069 188 E CA -2.098 54.369 56.400 0.112 0.000 0.893 188 E CB 0.974 30.744 29.700 0.117 0.000 1.076 188 E HN -0.043 nan 8.360 nan 0.000 0.414 189 P HA -0.014 nan 4.420 nan 0.000 0.261 189 P C -0.560 176.782 177.300 0.070 0.000 1.183 189 P CA 0.326 63.468 63.100 0.069 0.000 0.761 189 P CB 0.602 32.331 31.700 0.050 0.000 0.785 193 L N 2.974 123.993 121.223 -0.340 0.000 2.316 193 L HA 0.596 4.936 4.340 -0.001 0.000 0.280 193 L C -1.820 174.914 176.870 -0.226 0.000 1.006 193 L CA -0.062 54.638 54.840 -0.233 0.000 0.836 193 L CB 0.632 42.554 42.059 -0.229 0.000 1.221 193 L HN 0.461 nan 8.230 nan 0.000 0.418 194 F N 4.869 124.734 119.950 -0.142 0.000 2.405 194 F HA 0.523 5.049 4.527 -0.001 0.000 0.355 194 F C 0.129 176.044 175.800 0.191 0.000 1.121 194 F CA -0.480 57.571 58.000 0.085 0.000 1.112 194 F CB 1.582 40.663 39.000 0.134 0.000 1.126 194 F HN 0.121 nan 8.300 nan 0.000 0.481 195 V N 5.243 125.350 119.914 0.323 0.000 2.435 195 V HA 0.406 4.525 4.120 -0.001 0.000 0.290 195 V C -0.604 175.676 176.094 0.311 0.000 1.030 195 V CA -0.894 61.552 62.300 0.243 0.000 0.881 195 V CB 0.839 32.779 31.823 0.194 0.000 0.983 195 V HN 0.624 nan 8.190 nan 0.000 0.445 196 Y N 1.558 121.997 120.300 0.231 0.000 2.602 196 Y HA 0.867 5.417 4.550 -0.001 0.000 0.342 196 Y C 0.897 176.883 175.900 0.143 0.000 1.029 196 Y CA -0.742 57.472 58.100 0.190 0.000 1.080 196 Y CB 1.805 40.374 38.460 0.182 0.000 1.284 196 Y HN 0.492 nan 8.280 nan 0.000 0.485 197 G N 0.383 109.358 108.800 0.293 0.000 2.762 197 G HA2 0.266 4.225 3.960 -0.001 0.000 0.209 197 G HA3 0.266 4.225 3.960 -0.001 0.000 0.209 197 G C -0.057 174.984 174.900 0.235 0.000 1.134 197 G CA -0.162 45.041 45.100 0.172 0.000 0.781 197 G HN 0.790 nan 8.290 nan 0.000 0.528 198 R N -0.062 120.657 120.500 0.365 0.000 2.710 198 R HA 0.629 4.968 4.340 -0.001 0.000 0.270 198 R C -1.774 174.644 176.300 0.197 0.000 1.021 198 R CA -0.890 55.370 56.100 0.266 0.000 0.889 198 R CB 1.060 31.448 30.300 0.147 0.000 1.243 198 R HN 0.208 nan 8.270 nan 0.000 0.464 199 E N 0.955 121.213 120.200 0.097 0.000 2.372 199 E HA 0.259 4.608 4.350 -0.001 0.000 0.279 199 E C -1.153 175.436 176.600 -0.018 0.000 0.946 199 E CA -1.139 55.232 56.400 -0.049 0.000 0.769 199 E CB 1.871 31.473 29.700 -0.162 0.000 1.230 199 E HN 0.460 nan 8.360 nan 0.000 0.442 200 E N 0.658 120.830 120.200 -0.047 0.000 2.414 200 E HA 0.196 4.546 4.350 -0.001 0.000 0.263 200 E C 0.940 177.527 176.600 -0.022 0.000 1.000 200 E CA 1.616 58.000 56.400 -0.027 0.000 0.914 200 E CB 1.160 30.837 29.700 -0.038 0.000 0.948 200 E HN 0.926 nan 8.360 nan 0.000 0.444 201 G N 3.750 112.546 108.800 -0.007 0.000 2.284 201 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.247 201 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.247 201 G C 0.489 175.395 174.900 0.010 0.000 1.012 201 G CA 0.384 45.483 45.100 -0.003 0.000 0.618 201 G HN 0.523 nan 8.290 nan 0.000 0.521 202 N N 1.742 120.454 118.700 0.020 0.000 2.406 202 N HA 0.440 5.179 4.740 -0.001 0.000 0.251 202 N C 1.145 176.681 175.510 0.042 0.000 1.069 202 N CA 0.316 53.390 53.050 0.040 0.000 0.947 202 N CB 0.936 39.466 38.487 0.072 0.000 1.111 202 N HN 0.386 nan 8.380 nan 0.000 0.497 203 D N 0.697 121.116 120.400 0.033 0.000 2.350 203 D HA -0.082 4.557 4.640 -0.001 0.000 0.216 203 D C -0.264 176.056 176.300 0.033 0.000 0.968 203 D CA 0.719 54.736 54.000 0.029 0.000 0.894 203 D CB -0.213 40.599 40.800 0.020 0.000 0.909 203 D HN 0.284 nan 8.370 nan 0.000 0.520 204 T N 1.720 116.300 114.554 0.043 0.000 2.738 204 T HA 0.336 4.685 4.350 -0.001 0.000 0.294 204 T C 0.117 174.852 174.700 0.057 0.000 0.914 204 T CA -0.578 61.548 62.100 0.044 0.000 1.052 204 T CB 0.194 69.090 68.868 0.047 0.000 0.897 204 T HN 0.338 nan 8.240 nan 0.000 0.522 205 R N 2.264 122.792 120.500 0.045 0.000 2.709 205 R HA 0.437 4.776 4.340 -0.001 0.000 0.270 205 R C -3.576 172.747 176.300 0.038 0.000 1.038 205 R CA -2.031 54.102 56.100 0.055 0.000 0.872 205 R CB -0.128 30.213 30.300 0.068 0.000 1.259 205 R HN 0.191 nan 8.270 nan 0.000 0.473 206 P HA 0.007 nan 4.420 nan 0.000 0.266 206 P C 0.113 177.424 177.300 0.019 0.000 1.193 206 P CA 0.146 63.267 63.100 0.035 0.000 0.770 206 P CB 0.594 32.337 31.700 0.072 0.000 0.836 207 S N 0.859 116.550 115.700 -0.014 0.000 2.666 207 S HA 0.201 4.670 4.470 -0.001 0.000 0.239 207 S C 1.220 175.781 174.600 -0.066 0.000 1.031 207 S CA -0.418 57.765 58.200 -0.027 0.000 1.015 207 S CB 0.159 63.341 63.200 -0.031 0.000 0.981 207 S HN 0.464 nan 8.310 nan 0.000 0.547 208 R N 0.089 120.518 120.500 -0.118 0.000 2.470 208 R HA 0.337 4.676 4.340 -0.001 0.000 0.210 208 R C -0.892 175.288 176.300 -0.199 0.000 0.873 208 R CA 0.029 55.979 56.100 -0.251 0.000 1.015 208 R CB 0.699 30.705 30.300 -0.490 0.000 1.348 208 R HN 0.460 nan 8.270 nan 0.000 0.650 209 Y N 2.361 122.668 120.300 0.010 0.000 2.426 209 Y HA 0.437 4.986 4.550 -0.002 0.000 0.325 209 Y C -2.274 173.640 175.900 0.024 0.000 0.989 209 Y CA -2.799 55.310 58.100 0.015 0.000 1.284 209 Y CB 1.747 40.219 38.460 0.020 0.000 1.104 209 Y HN 0.051 nan 8.280 nan 0.000 0.481 210 P HA -0.098 nan 4.420 nan 0.000 0.264 210 P C -0.489 176.884 177.300 0.121 0.000 1.179 210 P CA 0.232 63.404 63.100 0.120 0.000 0.763 210 P CB 0.707 32.466 31.700 0.099 0.000 0.806 211 A N 3.918 126.805 122.820 0.113 0.000 2.404 211 A HA 0.102 4.421 4.320 -0.001 0.000 0.273 211 A C 1.259 178.919 177.584 0.128 0.000 1.144 211 A CA -0.228 51.883 52.037 0.123 0.000 0.806 211 A CB -0.054 19.025 19.000 0.131 0.000 1.080 211 A HN 0.524 nan 8.150 nan 0.000 0.509 212 R N 0.984 121.568 120.500 0.140 0.000 2.193 212 R HA -0.031 4.309 4.340 -0.001 0.000 0.213 212 R C 0.411 176.816 176.300 0.174 0.000 1.055 212 R CA 0.736 56.927 56.100 0.152 0.000 0.995 212 R CB 0.055 30.460 30.300 0.175 0.000 0.893 212 R HN 0.774 nan 8.270 nan 0.000 0.459 213 Q N 1.637 121.558 119.800 0.202 0.000 2.307 213 Q HA 0.132 4.472 4.340 -0.001 0.000 0.262 213 Q C -0.904 175.229 176.000 0.222 0.000 0.961 213 Q CA -0.377 55.559 55.803 0.221 0.000 0.882 213 Q CB 1.682 30.582 28.738 0.271 0.000 1.264 213 Q HN 0.101 nan 8.270 nan 0.000 0.446 214 T N 0.227 114.877 114.554 0.160 0.000 2.918 214 T HA 0.403 4.752 4.350 -0.001 0.000 0.286 214 T C 0.714 175.406 174.700 -0.012 0.000 1.026 214 T CA -0.810 61.342 62.100 0.087 0.000 1.031 214 T CB 1.549 70.434 68.868 0.028 0.000 1.046 214 T HN 0.796 nan 8.240 nan 0.000 0.479 215 R N 0.456 120.778 120.500 -0.298 0.000 2.096 215 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 215 R C 1.679 177.748 176.300 -0.385 0.000 1.127 215 R CA 1.714 57.434 56.100 -0.633 0.000 0.968 215 R CB -0.279 29.281 30.300 -1.233 0.000 0.861 215 R HN 0.781 nan 8.270 nan 0.000 0.440 216 E N 0.388 120.425 120.200 -0.271 0.000 2.085 216 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 216 E C 1.787 178.301 176.600 -0.143 0.000 0.994 216 E CA 1.663 57.940 56.400 -0.205 0.000 0.801 216 E CB -0.265 29.356 29.700 -0.132 0.000 0.743 216 E HN 0.473 nan 8.360 nan 0.000 0.453 217 A N 0.311 123.090 122.820 -0.069 0.000 1.873 217 A HA -0.158 4.162 4.320 -0.001 0.000 0.215 217 A C 2.347 179.938 177.584 0.012 0.000 1.186 217 A CA 1.707 53.740 52.037 -0.006 0.000 0.616 217 A CB -0.656 18.377 19.000 0.054 0.000 0.823 217 A HN 0.209 nan 8.150 nan 0.000 0.442 218 S N 0.010 115.740 115.700 0.050 0.000 2.359 218 S HA -0.200 4.269 4.470 -0.001 0.000 0.224 218 S C 1.821 176.362 174.600 -0.098 0.000 1.035 218 S CA 1.623 59.906 58.200 0.139 0.000 1.018 218 S CB -0.380 63.052 63.200 0.386 0.000 0.876 218 S HN 0.685 nan 8.310 nan 0.000 0.448 219 E N 1.058 121.095 120.200 -0.272 0.000 2.153 219 E HA -0.090 4.259 4.350 -0.001 0.000 0.194 219 E C 2.336 178.817 176.600 -0.198 0.000 0.988 219 E CA 0.943 57.109 56.400 -0.390 0.000 0.811 219 E CB -0.227 29.112 29.700 -0.600 0.000 0.746 219 E HN 0.532 nan 8.360 nan 0.000 0.466 220 A N 0.898 123.630 122.820 -0.147 0.000 1.898 220 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 220 A C 2.473 180.015 177.584 -0.070 0.000 1.181 220 A CA 0.880 52.860 52.037 -0.096 0.000 0.620 220 A CB -0.459 18.501 19.000 -0.067 0.000 0.819 220 A HN 0.098 nan 8.150 nan 0.000 0.442 221 V N -0.043 119.850 119.914 -0.035 0.000 2.427 221 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 221 V C 3.038 179.130 176.094 -0.004 0.000 1.051 221 V CA 1.756 64.073 62.300 0.029 0.000 1.048 221 V CB -1.184 30.738 31.823 0.166 0.000 0.666 221 V HN 0.600 nan 8.190 nan 0.000 0.456 222 A N -0.120 122.612 122.820 -0.147 0.000 1.908 222 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 222 A C 2.412 179.955 177.584 -0.067 0.000 1.181 222 A CA 1.874 53.824 52.037 -0.145 0.000 0.627 222 A CB -0.476 18.371 19.000 -0.256 0.000 0.818 222 A HN 0.489 nan 8.150 nan 0.000 0.445 223 R N -0.818 119.630 120.500 -0.087 0.000 2.062 223 R HA -0.009 4.331 4.340 -0.001 0.000 0.231 223 R C 2.145 178.357 176.300 -0.147 0.000 1.136 223 R CA 1.403 57.444 56.100 -0.099 0.000 0.948 223 R CB -0.567 29.676 30.300 -0.096 0.000 0.845 223 R HN 0.518 nan 8.270 nan 0.000 0.430 224 L N 0.984 122.110 121.223 -0.161 0.000 2.079 224 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 224 L C 1.391 178.054 176.870 -0.345 0.000 1.081 224 L CA 1.099 55.761 54.840 -0.297 0.000 0.752 224 L CB -0.389 41.533 42.059 -0.228 0.000 0.896 224 L HN 0.166 nan 8.230 nan 0.000 0.433 225 N N 0.216 118.826 118.700 -0.150 0.000 2.449 225 N HA -0.057 4.682 4.740 -0.001 0.000 0.191 225 N C -0.087 175.192 175.510 -0.386 0.000 1.161 225 N CA 0.173 53.142 53.050 -0.135 0.000 0.863 225 N CB 0.062 38.588 38.487 0.064 0.000 0.980 225 N HN 0.213 nan 8.380 nan 0.000 0.458 226 Q N -1.225 118.367 119.800 -0.347 0.000 2.434 226 Q HA -0.160 4.180 4.340 -0.001 0.000 0.299 226 Q C -0.629 175.285 176.000 -0.143 0.000 1.286 226 Q CA 0.460 56.099 55.803 -0.274 0.000 0.872 226 Q CB -2.544 25.951 28.738 -0.405 0.000 1.193 226 Q HN 0.118 nan 8.270 nan 0.000 0.466 227 V N 1.180 121.055 119.914 -0.066 0.000 2.555 227 V HA 0.071 4.190 4.120 -0.001 0.000 0.286 227 V C 1.032 177.130 176.094 0.007 0.000 1.044 227 V CA -0.172 62.133 62.300 0.009 0.000 1.026 227 V CB 1.028 32.902 31.823 0.084 0.000 0.981 227 V HN 0.393 nan 8.190 nan 0.000 0.480 228 N N 5.925 124.635 118.700 0.016 0.000 2.411 228 N HA 0.057 4.796 4.740 -0.001 0.000 0.265 228 N C -1.653 173.867 175.510 0.017 0.000 1.266 228 N CA -0.866 52.192 53.050 0.013 0.000 0.889 228 N CB 1.004 39.501 38.487 0.017 0.000 1.069 228 N HN 0.362 nan 8.380 nan 0.000 0.476 229 P HA -0.210 nan 4.420 nan 0.000 0.217 229 P C 0.325 177.637 177.300 0.020 0.000 1.148 229 P CA 1.456 64.571 63.100 0.024 0.000 0.834 229 P CB 0.167 31.878 31.700 0.019 0.000 0.783 230 Q N -1.408 118.399 119.800 0.012 0.000 2.451 230 Q HA -0.005 4.335 4.340 -0.001 0.000 0.206 230 Q C 1.151 177.149 176.000 -0.003 0.000 0.947 230 Q CA 0.598 56.404 55.803 0.005 0.000 0.937 230 Q CB -0.010 28.731 28.738 0.004 0.000 1.025 230 Q HN 0.453 nan 8.270 nan 0.000 0.511 231 Q N 0.073 119.875 119.800 0.003 0.000 2.201 231 Q HA 0.238 4.578 4.340 -0.001 0.000 0.236 231 Q C -0.959 175.038 176.000 -0.006 0.000 0.857 231 Q CA -0.174 55.630 55.803 0.001 0.000 1.025 231 Q CB 1.499 30.250 28.738 0.022 0.000 1.124 231 Q HN -0.031 nan 8.270 nan 0.000 0.473 232 V N 0.476 120.370 119.914 -0.034 0.000 2.841 232 V HA 0.584 4.703 4.120 -0.001 0.000 0.310 232 V C -1.697 174.287 176.094 -0.182 0.000 1.090 232 V CA -0.737 61.502 62.300 -0.102 0.000 0.930 232 V CB 2.043 33.783 31.823 -0.138 0.000 1.014 232 V HN 0.166 nan 8.190 nan 0.000 0.425 233 I N 6.063 126.473 120.570 -0.266 0.000 2.569 233 I HA 0.483 4.652 4.170 -0.001 0.000 0.290 233 I C -1.437 174.522 176.117 -0.264 0.000 1.088 233 I CA -0.331 60.853 61.300 -0.194 0.000 1.047 233 I CB 2.197 40.119 38.000 -0.131 0.000 1.237 233 I HN 0.475 nan 8.210 nan 0.000 0.421 234 F N 4.652 124.681 119.950 0.132 0.000 2.427 234 F HA 0.741 5.267 4.527 -0.001 0.000 0.346 234 F C 0.444 176.374 175.800 0.217 0.000 1.120 234 F CA -0.540 57.606 58.000 0.244 0.000 1.033 234 F CB 1.762 40.898 39.000 0.226 0.000 1.126 234 F HN 0.408 nan 8.300 nan 0.000 0.462 235 A N 3.389 126.375 122.820 0.277 0.000 2.386 235 A HA 0.569 4.889 4.320 -0.001 0.000 0.311 235 A C -1.017 176.379 177.584 -0.313 0.000 1.068 235 A CA -0.771 51.277 52.037 0.019 0.000 0.743 235 A CB 1.540 20.464 19.000 -0.126 0.000 1.258 235 A HN 0.715 nan 8.150 nan 0.000 0.429 236 Q N 1.168 120.685 119.800 -0.472 0.000 2.261 236 Q HA 0.349 4.688 4.340 -0.001 0.000 0.252 236 Q C -0.174 175.689 176.000 -0.228 0.000 0.915 236 Q CA -0.400 54.941 55.803 -0.771 0.000 0.915 236 Q CB 0.858 29.309 28.738 -0.478 0.000 1.204 236 Q HN 0.774 nan 8.270 nan 0.000 0.421 237 Q N 2.207 121.888 119.800 -0.198 0.000 2.394 237 Q HA 0.035 4.374 4.340 -0.001 0.000 0.248 237 Q C -0.593 175.353 176.000 -0.091 0.000 0.992 237 Q CA -0.107 55.641 55.803 -0.093 0.000 0.888 237 Q CB 0.631 29.311 28.738 -0.096 0.000 1.257 237 Q HN 0.571 nan 8.270 nan 0.000 0.462 238 N N 4.405 123.035 118.700 -0.117 0.000 2.438 238 N HA 0.032 4.771 4.740 -0.001 0.000 0.267 238 N C -1.967 173.499 175.510 -0.074 0.000 1.222 238 N CA -1.383 51.615 53.050 -0.086 0.000 0.930 238 N CB 0.856 39.273 38.487 -0.116 0.000 1.083 238 N HN 0.412 nan 8.380 nan 0.000 0.476 239 P HA -0.131 nan 4.420 nan 0.000 0.219 239 P C 0.079 177.363 177.300 -0.026 0.000 1.146 239 P CA 1.151 64.240 63.100 -0.018 0.000 0.808 239 P CB 0.408 32.107 31.700 -0.001 0.000 0.779 240 D N -0.292 120.084 120.400 -0.041 0.000 2.224 240 D HA -0.072 4.568 4.640 -0.001 0.000 0.205 240 D C 2.020 178.283 176.300 -0.061 0.000 0.965 240 D CA 0.595 54.567 54.000 -0.047 0.000 0.852 240 D CB -0.548 40.224 40.800 -0.046 0.000 0.947 240 D HN 0.048 nan 8.370 nan 0.000 0.494 241 V N 0.926 120.786 119.914 -0.091 0.000 2.591 241 V HA -0.111 4.008 4.120 -0.001 0.000 0.249 241 V C 2.228 178.277 176.094 -0.075 0.000 1.053 241 V CA 0.695 62.917 62.300 -0.129 0.000 1.068 241 V CB -0.103 31.587 31.823 -0.222 0.000 0.689 241 V HN 0.096 nan 8.190 nan 0.000 0.462 242 I N -0.036 120.512 120.570 -0.036 0.000 2.252 242 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 242 I C 2.025 178.253 176.117 0.184 0.000 1.102 242 I CA 1.697 63.022 61.300 0.042 0.000 1.385 242 I CB -0.541 37.488 38.000 0.049 0.000 1.064 242 I HN 0.307 nan 8.210 nan 0.000 0.414 243 D N 0.645 121.104 120.400 0.099 0.000 2.351 243 D HA -0.150 4.489 4.640 -0.001 0.000 0.216 243 D C 1.732 178.076 176.300 0.075 0.000 0.968 243 D CA 0.952 54.966 54.000 0.024 0.000 0.899 243 D CB -0.056 40.682 40.800 -0.104 0.000 0.907 243 D HN 0.544 nan 8.370 nan 0.000 0.514 244 Q N -1.008 118.872 119.800 0.132 0.000 2.282 244 Q HA 0.288 4.627 4.340 -0.001 0.000 0.206 244 Q C 1.038 177.151 176.000 0.188 0.000 0.878 244 Q CA 0.273 56.151 55.803 0.125 0.000 0.944 244 Q CB 1.418 30.160 28.738 0.005 0.000 1.100 244 Q HN 0.255 nan 8.270 nan 0.000 0.509 245 G N 0.189 109.132 108.800 0.238 0.000 2.260 245 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.179 245 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.179 245 G C 0.090 174.982 174.900 -0.013 0.000 1.002 245 G CA -0.463 44.701 45.100 0.107 0.000 0.677 245 G HN 0.144 nan 8.290 nan 0.000 0.486 246 V N 3.590 123.444 119.914 -0.100 0.000 2.223 246 V HA 0.346 4.465 4.120 -0.001 0.000 0.249 246 V C 1.423 177.363 176.094 -0.256 0.000 1.233 246 V CA 0.388 62.508 62.300 -0.300 0.000 1.131 246 V CB -1.200 30.457 31.823 -0.276 0.000 1.298 246 V HN 0.469 nan 8.190 nan 0.000 0.498 247 F N 0.827 120.638 119.950 -0.232 0.000 2.780 247 F HA 0.334 4.860 4.527 -0.001 0.000 0.299 247 F C 0.843 176.413 175.800 -0.384 0.000 1.146 247 F CA -0.264 57.541 58.000 -0.325 0.000 1.428 247 F CB -0.573 38.149 39.000 -0.463 0.000 1.115 247 F HN 0.419 nan 8.300 nan 0.000 0.583 248 H N -1.303 117.569 119.070 -0.331 0.000 3.012 248 H HA 0.206 4.762 4.556 -0.001 0.000 0.367 248 H C 0.179 175.360 175.328 -0.244 0.000 1.211 248 H CA -0.876 55.065 56.048 -0.178 0.000 1.139 248 H CB 1.255 30.933 29.762 -0.141 0.000 1.838 248 H HN -0.176 nan 8.280 nan 0.000 0.550 249 N N 0.849 119.552 118.700 0.005 0.000 2.223 249 N HA -0.171 4.568 4.740 -0.001 0.000 0.185 249 N C 0.993 176.428 175.510 -0.125 0.000 1.016 249 N CA 1.585 54.585 53.050 -0.083 0.000 0.863 249 N CB 0.070 38.564 38.487 0.011 0.000 0.983 249 N HN 0.669 nan 8.380 nan 0.000 0.429 250 D N -0.862 119.489 120.400 -0.081 0.000 2.348 250 D HA -0.048 4.591 4.640 -0.001 0.000 0.248 250 D C 0.746 176.940 176.300 -0.178 0.000 1.142 250 D CA 0.200 54.153 54.000 -0.078 0.000 0.904 250 D CB -0.146 40.638 40.800 -0.026 0.000 0.901 250 D HN 0.154 nan 8.370 nan 0.000 0.523 251 V N -0.366 119.364 119.914 -0.307 0.000 3.556 251 V HA 0.199 4.318 4.120 -0.001 0.000 0.287 251 V C 1.062 176.969 176.094 -0.311 0.000 1.422 251 V CA 0.012 62.035 62.300 -0.463 0.000 1.038 251 V CB 0.446 31.816 31.823 -0.755 0.000 0.850 251 V HN 0.140 nan 8.190 nan 0.000 0.437 252 I N -0.213 120.152 120.570 -0.343 0.000 4.670 252 I HA 0.706 4.875 4.170 -0.001 0.000 0.339 252 I C 0.299 175.827 176.117 -0.983 0.000 1.310 252 I CA 0.256 61.197 61.300 -0.597 0.000 1.288 252 I CB 0.981 38.633 38.000 -0.580 0.000 1.427 252 I HN 0.109 nan 8.210 nan 0.000 0.494 253 A N -0.327 122.197 122.820 -0.492 0.000 2.594 253 A HA 0.771 5.090 4.320 -0.001 0.000 0.296 253 A C -1.897 175.706 177.584 0.032 0.000 1.061 253 A CA -0.331 51.517 52.037 -0.316 0.000 0.689 253 A CB 1.456 20.307 19.000 -0.247 0.000 1.280 253 A HN 0.156 nan 8.150 nan 0.000 0.406 254 V N 1.471 121.497 119.914 0.185 0.000 2.932 254 V HA 0.842 4.961 4.120 -0.001 0.000 0.307 254 V C -0.408 175.827 176.094 0.236 0.000 1.147 254 V CA 0.375 62.806 62.300 0.218 0.000 0.951 254 V CB 2.330 34.318 31.823 0.274 0.000 1.031 254 V HN 2.023 nan 8.190 nan 0.000 0.426 255 S N 4.290 120.092 115.700 0.169 0.000 2.648 255 S HA 0.850 5.319 4.470 -0.001 0.000 0.305 255 S C -0.765 173.922 174.600 0.145 0.000 1.094 255 S CA -0.714 57.580 58.200 0.158 0.000 0.983 255 S CB 1.891 65.159 63.200 0.114 0.000 1.101 255 S HN 1.218 nan 8.310 nan 0.000 0.514 256 N N -0.002 118.779 118.700 0.135 0.000 2.999 256 N HA 0.301 5.040 4.740 -0.001 0.000 0.244 256 N C -0.101 175.453 175.510 0.074 0.000 1.106 256 N CA -0.276 52.859 53.050 0.143 0.000 1.018 256 N CB 0.679 39.250 38.487 0.141 0.000 1.600 256 N HN 0.740 nan 8.380 nan 0.000 0.621 257 R N 0.591 121.120 120.500 0.049 0.000 3.992 257 R HA -0.240 4.099 4.340 -0.001 0.000 0.330 257 R C 0.781 177.085 176.300 0.008 0.000 0.242 257 R CA 1.851 57.908 56.100 -0.072 0.000 1.095 257 R CB -1.526 28.660 30.300 -0.190 0.000 1.002 257 R HN 0.850 nan 8.270 nan 0.000 0.559 258 Q N 2.121 121.912 119.800 -0.016 0.000 2.360 258 Q HA 0.187 4.526 4.340 -0.001 0.000 0.202 258 Q C 0.330 176.325 176.000 -0.008 0.000 0.915 258 Q CA 0.507 56.333 55.803 0.039 0.000 0.943 258 Q CB 0.558 29.289 28.738 -0.010 0.000 1.064 258 Q HN 0.303 nan 8.270 nan 0.000 0.511 259 V N 2.175 122.078 119.914 -0.017 0.000 2.472 259 V HA 0.366 4.485 4.120 -0.001 0.000 0.290 259 V C -0.638 175.498 176.094 0.069 0.000 1.037 259 V CA -0.902 61.363 62.300 -0.057 0.000 0.908 259 V CB 1.566 33.365 31.823 -0.040 0.000 0.985 259 V HN 0.299 nan 8.190 nan 0.000 0.454 260 L N 5.630 126.891 121.223 0.064 0.000 2.388 260 L HA 0.544 4.883 4.340 -0.001 0.000 0.267 260 L C -1.054 175.980 176.870 0.274 0.000 0.995 260 L CA -0.256 54.717 54.840 0.222 0.000 0.864 260 L CB 1.030 43.303 42.059 0.357 0.000 1.216 260 L HN 0.545 nan 8.230 nan 0.000 0.430 261 F N 6.584 126.624 119.950 0.150 0.000 2.404 261 F HA 0.588 5.114 4.527 -0.001 0.000 0.359 261 F C 0.088 176.059 175.800 0.286 0.000 1.134 261 F CA -0.984 57.157 58.000 0.235 0.000 1.160 261 F CB 0.079 39.229 39.000 0.249 0.000 1.186 261 F HN 0.705 nan 8.300 nan 0.000 0.526 262 C N 4.837 124.105 119.300 -0.054 0.000 3.171 262 C HA 0.522 4.981 4.460 -0.001 0.000 0.308 262 C C -0.390 174.228 174.990 -0.620 0.000 1.334 262 C CA -0.935 57.764 59.018 -0.531 0.000 1.473 262 C CB 1.587 29.229 27.740 -0.162 0.000 1.866 262 C HN 0.839 nan 8.230 nan 0.000 0.465 263 H N 1.142 119.569 119.070 -1.072 0.000 2.551 263 H HA 0.203 4.758 4.556 -0.001 0.000 0.358 263 H C 1.150 176.275 175.328 -0.339 0.000 1.151 263 H CA 1.047 56.739 56.048 -0.594 0.000 1.374 263 H CB 1.689 31.071 29.762 -0.633 0.000 1.473 263 H HN 0.953 nan 8.280 nan 0.000 0.574 264 Q N 2.101 121.680 119.800 -0.368 0.000 2.226 264 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 264 Q C 0.728 176.738 176.000 0.015 0.000 0.975 264 Q CA 1.416 57.142 55.803 -0.129 0.000 0.866 264 Q CB 0.030 28.671 28.738 -0.162 0.000 0.915 264 Q HN 0.636 nan 8.270 nan 0.000 0.440 265 Q N -0.310 119.617 119.800 0.211 0.000 2.212 265 Q HA 0.292 4.631 4.340 -0.001 0.000 0.213 265 Q C 1.273 177.170 176.000 -0.171 0.000 0.874 265 Q CA 0.182 56.002 55.803 0.029 0.000 0.965 265 Q CB 0.562 29.305 28.738 0.008 0.000 1.074 265 Q HN 0.526 nan 8.270 nan 0.000 0.473 266 A N 0.391 123.026 122.820 -0.309 0.000 1.855 266 A HA -0.015 4.304 4.320 -0.001 0.000 0.215 266 A C 0.386 177.482 177.584 -0.815 0.000 1.191 266 A CA 1.006 52.608 52.037 -0.724 0.000 0.613 266 A CB 0.093 18.410 19.000 -1.137 0.000 0.829 266 A HN 0.281 nan 8.150 nan 0.000 0.442 267 F N -2.931 116.958 119.950 -0.102 0.000 2.507 267 F HA 0.624 5.150 4.527 -0.001 0.000 0.327 267 F C 1.348 177.104 175.800 -0.073 0.000 1.068 267 F CA -0.506 57.437 58.000 -0.096 0.000 0.965 267 F CB 1.472 40.420 39.000 -0.087 0.000 1.192 267 F HN 0.137 nan 8.300 nan 0.000 0.476 268 A N 2.114 124.999 122.820 0.108 0.000 1.859 268 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 268 A C 1.449 179.068 177.584 0.057 0.000 1.198 268 A CA 1.419 53.484 52.037 0.047 0.000 0.629 268 A CB -0.428 18.583 19.000 0.018 0.000 0.830 268 A HN 0.770 nan 8.150 nan 0.000 0.446 269 R N -0.769 119.769 120.500 0.065 0.000 3.335 269 R HA 0.250 4.590 4.340 -0.001 0.000 0.337 269 R C 1.022 177.350 176.300 0.048 0.000 1.283 269 R CA -0.059 56.067 56.100 0.043 0.000 1.246 269 R CB 0.211 30.526 30.300 0.025 0.000 1.464 269 R HN 0.701 nan 8.270 nan 0.000 0.607 270 Q N 0.656 120.516 119.800 0.099 0.000 2.029 270 Q HA -0.282 4.057 4.340 -0.001 0.000 0.209 270 Q C 1.983 178.015 176.000 0.054 0.000 0.999 270 Q CA 2.538 58.415 55.803 0.124 0.000 0.857 270 Q CB -0.041 28.805 28.738 0.181 0.000 0.926 270 Q HN 0.387 nan 8.270 nan 0.000 0.415 271 S N -0.446 115.282 115.700 0.046 0.000 2.368 271 S HA -0.322 4.147 4.470 -0.001 0.000 0.226 271 S C 1.929 176.536 174.600 0.011 0.000 1.044 271 S CA 2.050 60.270 58.200 0.032 0.000 1.062 271 S CB -0.338 62.878 63.200 0.028 0.000 0.931 271 S HN 0.549 nan 8.310 nan 0.000 0.440 272 Q N -0.424 119.376 119.800 0.000 0.000 2.119 272 Q HA -0.091 4.249 4.340 -0.001 0.000 0.201 272 Q C 2.150 178.119 176.000 -0.053 0.000 0.972 272 Q CA 1.496 57.289 55.803 -0.017 0.000 0.847 272 Q CB -0.279 28.453 28.738 -0.010 0.000 0.903 272 Q HN 0.549 nan 8.270 nan 0.000 0.433 273 L N 0.343 121.518 121.223 -0.080 0.000 1.994 273 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 273 L C 1.934 178.692 176.870 -0.187 0.000 1.071 273 L CA 1.716 56.456 54.840 -0.167 0.000 0.745 273 L CB -0.603 41.288 42.059 -0.281 0.000 0.892 273 L HN 0.325 nan 8.230 nan 0.000 0.431 274 L N -0.580 120.580 121.223 -0.105 0.000 2.046 274 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 274 L C 2.681 179.528 176.870 -0.038 0.000 1.077 274 L CA 1.231 56.056 54.840 -0.026 0.000 0.747 274 L CB -1.089 41.049 42.059 0.132 0.000 0.896 274 L HN 0.399 nan 8.230 nan 0.000 0.432 275 A N 0.107 122.914 122.820 -0.021 0.000 1.902 275 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 275 A C 2.191 179.733 177.584 -0.070 0.000 1.181 275 A CA 1.975 54.003 52.037 -0.014 0.000 0.623 275 A CB -0.744 18.253 19.000 -0.004 0.000 0.818 275 A HN 0.498 nan 8.150 nan 0.000 0.443 276 N N -0.217 118.417 118.700 -0.111 0.000 2.120 276 N HA -0.131 4.608 4.740 -0.001 0.000 0.188 276 N C 1.568 176.946 175.510 -0.220 0.000 1.024 276 N CA 1.430 54.400 53.050 -0.134 0.000 0.852 276 N CB -0.194 38.219 38.487 -0.124 0.000 1.003 276 N HN 0.273 nan 8.380 nan 0.000 0.424 277 L N 1.711 122.703 121.223 -0.384 0.000 2.093 277 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 277 L C 2.557 179.081 176.870 -0.577 0.000 1.085 277 L CA 1.162 55.590 54.840 -0.685 0.000 0.755 277 L CB -0.759 40.485 42.059 -1.359 0.000 0.904 277 L HN 0.106 nan 8.230 nan 0.000 0.435 278 R N -0.965 119.351 120.500 -0.307 0.000 2.096 278 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 278 R C 2.153 178.455 176.300 0.004 0.000 1.127 278 R CA 1.299 57.431 56.100 0.053 0.000 0.968 278 R CB -0.368 30.029 30.300 0.162 0.000 0.861 278 R HN 0.387 nan 8.270 nan 0.000 0.440 279 A N 0.567 123.358 122.820 -0.049 0.000 2.016 279 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 279 A C 1.858 179.418 177.584 -0.040 0.000 1.162 279 A CA 0.855 52.873 52.037 -0.031 0.000 0.662 279 A CB -0.019 18.960 19.000 -0.035 0.000 0.812 279 A HN 0.177 nan 8.150 nan 0.000 0.450 280 R N -1.152 119.299 120.500 -0.081 0.000 2.282 280 R HA 0.199 4.538 4.340 -0.001 0.000 0.195 280 R C -0.630 175.638 176.300 -0.053 0.000 0.909 280 R CA 0.282 56.340 56.100 -0.069 0.000 1.039 280 R CB 0.541 30.784 30.300 -0.094 0.000 1.015 280 R HN 0.284 nan 8.270 nan 0.000 0.513 281 V N 2.618 122.497 119.914 -0.058 0.000 2.350 281 V HA 0.152 4.271 4.120 -0.001 0.000 0.285 281 V C -0.072 176.075 176.094 0.089 0.000 1.014 281 V CA -1.127 61.180 62.300 0.013 0.000 0.831 281 V CB 1.504 33.332 31.823 0.008 0.000 1.000 281 V HN 0.148 nan 8.190 nan 0.000 0.433 282 N N 3.360 122.101 118.700 0.068 0.000 2.447 282 N HA 0.091 4.830 4.740 -0.001 0.000 0.263 282 N C 1.317 176.875 175.510 0.081 0.000 1.226 282 N CA 1.668 54.758 53.050 0.068 0.000 0.906 282 N CB 1.254 39.771 38.487 0.050 0.000 1.060 282 N HN 1.133 nan 8.380 nan 0.000 0.468 283 G N 3.369 112.215 108.800 0.076 0.000 2.168 283 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.263 283 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.263 283 G C 0.344 175.280 174.900 0.060 0.000 0.977 283 G CA 0.436 45.565 45.100 0.048 0.000 0.659 283 G HN 0.652 nan 8.290 nan 0.000 0.533 287 I N 2.861 123.478 120.570 0.079 0.000 2.347 287 I HA 0.241 4.410 4.170 -0.001 0.000 0.283 287 I C -0.036 176.232 176.117 0.251 0.000 1.058 287 I CA -0.063 61.356 61.300 0.198 0.000 1.202 287 I CB 1.100 39.290 38.000 0.316 0.000 1.386 287 I HN 0.654 nan 8.210 nan 0.000 0.475 288 E N 5.356 125.641 120.200 0.142 0.000 2.200 288 E HA 0.342 4.691 4.350 -0.001 0.000 0.283 288 E C -0.772 175.843 176.600 0.024 0.000 1.015 288 E CA -0.689 55.744 56.400 0.055 0.000 0.819 288 E CB 2.459 32.169 29.700 0.017 0.000 1.081 288 E HN 0.253 nan 8.360 nan 0.000 0.397 289 V N 6.015 125.869 119.914 -0.099 0.000 2.368 289 V HA 0.179 4.298 4.120 -0.001 0.000 0.266 289 V C -1.823 174.009 176.094 -0.437 0.000 1.045 289 V CA -1.778 60.369 62.300 -0.254 0.000 0.899 289 V CB 0.430 32.057 31.823 -0.327 0.000 1.006 289 V HN 0.590 nan 8.190 nan 0.000 0.470 290 P HA 0.113 nan 4.420 nan 0.000 0.271 290 P C 0.636 177.779 177.300 -0.262 0.000 1.216 290 P CA -0.075 62.884 63.100 -0.235 0.000 0.776 290 P CB 1.389 33.034 31.700 -0.092 0.000 0.881 291 A N 3.417 126.129 122.820 -0.180 0.000 1.978 291 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 291 A C 2.094 179.682 177.584 0.006 0.000 1.170 291 A CA 2.488 54.521 52.037 -0.006 0.000 0.636 291 A CB -1.973 17.081 19.000 0.089 0.000 0.810 291 A HN 0.677 nan 8.150 nan 0.000 0.448 292 T N -2.148 112.398 114.554 -0.013 0.000 2.720 292 T HA -0.267 4.082 4.350 -0.001 0.000 0.268 292 T C 1.909 176.618 174.700 0.015 0.000 1.037 292 T CA 1.755 63.861 62.100 0.008 0.000 1.144 292 T CB -0.423 68.450 68.868 0.008 0.000 0.864 292 T HN 0.617 nan 8.240 nan 0.000 0.444 293 Q N 0.278 120.069 119.800 -0.014 0.000 2.062 293 Q HA 0.174 4.513 4.340 -0.001 0.000 0.196 293 Q C 0.090 176.082 176.000 -0.014 0.000 0.967 293 Q CA 0.701 56.504 55.803 -0.001 0.000 0.832 293 Q CB 0.331 29.062 28.738 -0.013 0.000 0.899 293 Q HN 0.391 nan 8.270 nan 0.000 0.442 294 V N 1.428 121.303 119.914 -0.065 0.000 2.524 294 V HA 0.180 4.300 4.120 -0.001 0.000 0.297 294 V C -0.258 175.910 176.094 0.125 0.000 1.035 294 V CA -0.755 61.538 62.300 -0.011 0.000 0.867 294 V CB 1.632 33.385 31.823 -0.116 0.000 1.004 294 V HN 0.245 nan 8.190 nan 0.000 0.426 295 S N 3.694 119.458 115.700 0.107 0.000 2.624 295 S HA 0.389 4.858 4.470 -0.001 0.000 0.263 295 S C 1.190 175.809 174.600 0.031 0.000 1.287 295 S CA -0.388 57.877 58.200 0.109 0.000 0.990 295 S CB 1.589 64.826 63.200 0.062 0.000 0.950 295 S HN 0.378 nan 8.310 nan 0.000 0.561 296 V N 1.250 121.102 119.914 -0.103 0.000 2.407 296 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 296 V C 2.917 178.946 176.094 -0.108 0.000 1.055 296 V CA 2.188 64.335 62.300 -0.254 0.000 1.049 296 V CB -1.328 30.338 31.823 -0.261 0.000 0.662 296 V HN 1.026 nan 8.190 nan 0.000 0.455 297 S N 0.016 115.693 115.700 -0.038 0.000 2.359 297 S HA -0.262 4.207 4.470 -0.001 0.000 0.224 297 S C 1.787 176.399 174.600 0.019 0.000 1.035 297 S CA 2.050 60.255 58.200 0.008 0.000 1.018 297 S CB -0.472 62.748 63.200 0.034 0.000 0.876 297 S HN 0.656 nan 8.310 nan 0.000 0.448 298 D N 0.513 120.919 120.400 0.010 0.000 2.123 298 D HA -0.061 4.579 4.640 -0.001 0.000 0.196 298 D C 2.098 178.345 176.300 -0.089 0.000 0.992 298 D CA 1.483 55.447 54.000 -0.060 0.000 0.833 298 D CB -1.028 39.698 40.800 -0.122 0.000 0.954 298 D HN 0.398 nan 8.370 nan 0.000 0.455 299 T N 0.504 115.031 114.554 -0.045 0.000 2.684 299 T HA -0.102 4.247 4.350 -0.001 0.000 0.267 299 T C 2.199 176.903 174.700 0.007 0.000 1.036 299 T CA 0.922 63.016 62.100 -0.011 0.000 1.148 299 T CB -0.257 68.612 68.868 0.002 0.000 0.863 299 T HN -0.022 nan 8.240 nan 0.000 0.436 300 V N 1.976 121.892 119.914 0.004 0.000 2.427 300 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 300 V C 2.738 178.969 176.094 0.227 0.000 1.051 300 V CA 1.912 64.257 62.300 0.075 0.000 1.048 300 V CB -0.771 31.082 31.823 0.050 0.000 0.666 300 V HN 0.647 nan 8.190 nan 0.000 0.456 301 S N 0.618 116.402 115.700 0.140 0.000 2.414 301 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 301 S C 1.963 176.644 174.600 0.135 0.000 1.022 301 S CA 1.419 59.699 58.200 0.134 0.000 0.958 301 S CB -0.500 62.767 63.200 0.112 0.000 0.797 301 S HN 0.712 nan 8.310 nan 0.000 0.493 302 T N -4.256 110.368 114.554 0.116 0.000 3.037 302 T HA 0.161 4.511 4.350 -0.001 0.000 0.252 302 T C 0.332 175.167 174.700 0.226 0.000 1.073 302 T CA 0.134 62.297 62.100 0.104 0.000 1.091 302 T CB -0.715 68.144 68.868 -0.015 0.000 0.935 302 T HN 0.265 nan 8.240 nan 0.000 0.488 303 Y N 0.153 120.447 120.300 -0.011 0.000 3.790 303 Y HA -0.165 4.385 4.550 -0.001 0.000 0.226 303 Y C 1.139 177.039 175.900 -0.001 0.000 1.257 303 Y CA -0.240 57.863 58.100 0.004 0.000 1.765 303 Y CB -2.319 36.156 38.460 0.025 0.000 1.552 303 Y HN 0.353 nan 8.280 nan 0.000 0.650 304 L N -0.745 120.487 121.223 0.015 0.000 2.043 304 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 304 L C 1.868 178.594 176.870 -0.240 0.000 1.075 304 L CA 2.297 57.052 54.840 -0.141 0.000 0.752 304 L CB -0.574 41.271 42.059 -0.357 0.000 0.891 304 L HN 0.283 nan 8.230 nan 0.000 0.432 305 F N -1.156 118.766 119.950 -0.046 0.000 2.765 305 F HA 0.115 4.641 4.527 -0.001 0.000 0.302 305 F C 1.782 177.547 175.800 -0.059 0.000 1.111 305 F CA 0.238 58.191 58.000 -0.078 0.000 1.359 305 F CB -0.367 38.495 39.000 -0.229 0.000 1.097 305 F HN 0.230 nan 8.300 nan 0.000 0.577 306 N N 0.392 119.121 118.700 0.048 0.000 2.346 306 N HA 0.035 4.774 4.740 -0.001 0.000 0.225 306 N C -0.259 175.334 175.510 0.139 0.000 1.144 306 N CA 0.001 53.077 53.050 0.044 0.000 0.837 306 N CB 0.239 38.728 38.487 0.004 0.000 1.069 306 N HN 0.056 nan 8.380 nan 0.000 0.487 307 S N 0.136 115.928 115.700 0.153 0.000 2.672 307 S HA 0.259 4.729 4.470 -0.001 0.000 0.276 307 S C -0.123 174.557 174.600 0.133 0.000 1.207 307 S CA -0.454 57.836 58.200 0.151 0.000 1.002 307 S CB 1.833 65.129 63.200 0.159 0.000 0.998 307 S HN 0.274 nan 8.310 nan 0.000 0.542 308 Q N 0.948 120.803 119.800 0.092 0.000 2.278 308 Q HA 0.431 4.770 4.340 -0.001 0.000 0.257 308 Q C -1.244 174.775 176.000 0.032 0.000 0.928 308 Q CA -0.580 55.256 55.803 0.055 0.000 0.932 308 Q CB 1.267 30.005 28.738 0.000 0.000 1.221 308 Q HN 0.342 nan 8.270 nan 0.000 0.434 309 L N 5.174 126.429 121.223 0.054 0.000 2.283 309 L HA 0.385 4.724 4.340 -0.001 0.000 0.281 309 L C -1.428 175.462 176.870 0.034 0.000 1.033 309 L CA 0.041 54.901 54.840 0.032 0.000 0.848 309 L CB 0.283 42.386 42.059 0.074 0.000 1.226 309 L HN 0.528 nan 8.230 nan 0.000 0.429 310 L N 2.714 123.919 121.223 -0.030 0.000 2.375 310 L HA 0.614 4.953 4.340 -0.001 0.000 0.268 310 L C 0.376 177.339 176.870 0.156 0.000 1.058 310 L CA -0.591 54.252 54.840 0.004 0.000 0.803 310 L CB 1.497 43.312 42.059 -0.407 0.000 1.212 310 L HN 0.468 nan 8.230 nan 0.000 0.451 311 S N 0.315 116.209 115.700 0.323 0.000 2.482 311 S HA 0.564 5.034 4.470 -0.001 0.000 0.303 311 S C -0.404 174.368 174.600 0.286 0.000 1.091 311 S CA -0.774 57.575 58.200 0.249 0.000 1.057 311 S CB 1.854 65.147 63.200 0.155 0.000 1.031 311 S HN 0.455 nan 8.310 nan 0.000 0.485 312 R N 0.687 121.268 120.500 0.134 0.000 2.700 312 R HA 0.308 4.647 4.340 -0.001 0.000 0.253 312 R C 0.207 176.477 176.300 -0.049 0.000 1.091 312 R CA -0.769 55.326 56.100 -0.009 0.000 1.104 312 R CB 0.376 30.671 30.300 -0.008 0.000 1.202 312 R HN 0.512 nan 8.270 nan 0.000 0.532 313 D N 0.946 121.286 120.400 -0.100 0.000 2.144 313 D HA -0.151 4.488 4.640 -0.001 0.000 0.199 313 D C 0.937 177.219 176.300 -0.031 0.000 0.984 313 D CA 1.438 55.399 54.000 -0.065 0.000 0.834 313 D CB -0.100 40.653 40.800 -0.080 0.000 0.955 313 D HN 0.515 nan 8.370 nan 0.000 0.465 314 D N -1.462 118.917 120.400 -0.035 0.000 2.363 314 D HA 0.093 4.733 4.640 -0.001 0.000 0.226 314 D C 1.554 177.836 176.300 -0.032 0.000 1.020 314 D CA 0.872 54.857 54.000 -0.026 0.000 0.892 314 D CB -0.217 40.567 40.800 -0.027 0.000 0.900 314 D HN 0.236 nan 8.370 nan 0.000 0.531 315 G N -0.137 108.639 108.800 -0.041 0.000 2.213 315 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.236 315 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.236 315 G C 0.576 175.446 174.900 -0.050 0.000 0.991 315 G CA 0.405 45.468 45.100 -0.063 0.000 0.629 315 G HN 0.808 nan 8.290 nan 0.000 0.517 320 V N 5.066 125.008 119.914 0.047 0.000 2.364 320 V HA 0.483 4.603 4.120 -0.001 0.000 0.272 320 V C -0.074 176.122 176.094 0.169 0.000 1.036 320 V CA -0.174 62.211 62.300 0.141 0.000 0.880 320 V CB 1.383 33.279 31.823 0.123 0.000 0.991 320 V HN 0.413 nan 8.190 nan 0.000 0.460 321 L N 7.761 129.106 121.223 0.203 0.000 2.323 321 L HA 0.685 5.025 4.340 -0.001 0.000 0.265 321 L C -2.389 174.601 176.870 0.200 0.000 1.012 321 L CA -1.813 53.141 54.840 0.190 0.000 0.820 321 L CB 2.521 44.692 42.059 0.185 0.000 1.334 321 L HN 0.379 nan 8.230 nan 0.000 0.427 322 P HA 0.125 nan 4.420 nan 0.000 0.281 322 P C -0.305 177.042 177.300 0.078 0.000 1.249 322 P CA -0.470 62.715 63.100 0.140 0.000 0.810 322 P CB 1.211 32.988 31.700 0.129 0.000 1.008 323 Q N 0.556 120.380 119.800 0.041 0.000 2.217 323 Q HA -0.223 4.116 4.340 -0.001 0.000 0.209 323 Q C 1.744 177.719 176.000 -0.042 0.000 0.988 323 Q CA 1.784 57.568 55.803 -0.031 0.000 0.878 323 Q CB -0.015 28.705 28.738 -0.030 0.000 0.909 323 Q HN 0.479 nan 8.270 nan 0.000 0.424 324 E N -0.583 119.621 120.200 0.006 0.000 2.267 324 E HA -0.196 4.153 4.350 -0.001 0.000 0.197 324 E C 1.894 178.532 176.600 0.062 0.000 0.998 324 E CA 0.991 57.408 56.400 0.030 0.000 0.830 324 E CB -0.618 29.108 29.700 0.043 0.000 0.751 324 E HN 0.433 nan 8.360 nan 0.000 0.491 325 C N 0.885 120.225 119.300 0.067 0.000 2.446 325 C HA 0.052 4.511 4.460 -0.001 0.000 0.279 325 C C 2.724 177.787 174.990 0.122 0.000 1.366 325 C CA 0.487 59.588 59.018 0.137 0.000 1.763 325 C CB -0.915 26.941 27.740 0.193 0.000 1.929 325 C HN 0.433 nan 8.230 nan 0.000 0.509 326 R N 1.103 121.484 120.500 -0.198 0.000 2.127 326 R HA -0.035 4.304 4.340 -0.001 0.000 0.217 326 R C 1.741 177.762 176.300 -0.465 0.000 1.074 326 R CA 1.024 56.646 56.100 -0.797 0.000 0.991 326 R CB -0.094 29.587 30.300 -1.030 0.000 0.895 326 R HN 0.575 nan 8.270 nan 0.000 0.450 327 E N -1.047 119.039 120.200 -0.190 0.000 2.482 327 E HA -0.117 4.232 4.350 -0.001 0.000 0.196 327 E C -0.309 176.303 176.600 0.020 0.000 1.047 327 E CA 0.307 56.651 56.400 -0.092 0.000 0.869 327 E CB 0.097 29.765 29.700 -0.054 0.000 0.836 327 E HN 0.349 nan 8.360 nan 0.000 0.520 328 H N -0.297 118.777 119.070 0.006 0.000 2.685 328 H HA 0.353 4.908 4.556 -0.001 0.000 0.286 328 H C 0.917 176.331 175.328 0.143 0.000 1.102 328 H CA -0.256 55.835 56.048 0.073 0.000 1.254 328 H CB 0.930 30.747 29.762 0.091 0.000 1.397 328 H HN 0.048 nan 8.280 nan 0.000 0.473 329 A N 3.713 126.575 122.820 0.070 0.000 1.903 329 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 329 A C 2.463 180.206 177.584 0.266 0.000 1.191 329 A CA 1.970 54.103 52.037 0.161 0.000 0.638 329 A CB -1.254 17.775 19.000 0.048 0.000 0.823 329 A HN 0.870 nan 8.150 nan 0.000 0.451 330 G N -0.951 108.024 108.800 0.291 0.000 2.421 330 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.216 330 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.216 330 G C 1.524 176.657 174.900 0.389 0.000 1.171 330 G CA 1.333 46.649 45.100 0.359 0.000 0.775 330 G HN 0.369 nan 8.290 nan 0.000 0.543 331 V N -0.275 119.936 119.914 0.494 0.000 2.323 331 V HA -0.106 4.013 4.120 -0.001 0.000 0.244 331 V C 2.253 178.569 176.094 0.370 0.000 1.041 331 V CA 1.511 63.979 62.300 0.279 0.000 1.025 331 V CB -0.636 31.234 31.823 0.079 0.000 0.656 331 V HN 0.625 nan 8.190 nan 0.000 0.451 332 W N 1.131 122.531 121.300 0.166 0.000 2.338 332 W HA -0.175 4.484 4.660 -0.001 0.000 0.304 332 W C 2.187 178.756 176.519 0.084 0.000 1.212 332 W CA 1.410 58.816 57.345 0.103 0.000 1.264 332 W CB -0.304 29.206 29.460 0.084 0.000 1.142 332 W HN 0.376 nan 8.180 nan 0.000 0.512 333 G N -0.499 108.395 108.800 0.157 0.000 2.421 333 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.216 333 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.216 333 G C 1.188 176.072 174.900 -0.027 0.000 1.171 333 G CA 1.198 46.310 45.100 0.020 0.000 0.775 333 G HN 0.435 nan 8.290 nan 0.000 0.543 334 Y N 1.217 121.508 120.300 -0.015 0.000 2.181 334 Y HA -0.046 4.503 4.550 -0.001 0.000 0.288 334 Y C 2.541 178.392 175.900 -0.083 0.000 1.146 334 Y CA 1.387 59.473 58.100 -0.023 0.000 1.164 334 Y CB -0.280 38.195 38.460 0.025 0.000 0.982 334 Y HN 0.116 nan 8.280 nan 0.000 0.515 335 L N 0.276 121.375 121.223 -0.206 0.000 2.046 335 L HA -0.269 4.071 4.340 -0.001 0.000 0.208 335 L C 2.312 178.885 176.870 -0.495 0.000 1.077 335 L CA 1.499 56.127 54.840 -0.354 0.000 0.747 335 L CB -0.671 41.254 42.059 -0.224 0.000 0.896 335 L HN 0.329 nan 8.230 nan 0.000 0.432 336 N N -0.221 118.155 118.700 -0.541 0.000 2.223 336 N HA -0.226 4.513 4.740 -0.001 0.000 0.185 336 N C 1.780 177.080 175.510 -0.348 0.000 1.016 336 N CA 1.241 54.006 53.050 -0.475 0.000 0.863 336 N CB 0.042 38.242 38.487 -0.478 0.000 0.983 336 N HN 0.473 nan 8.380 nan 0.000 0.429 337 E N 0.799 120.786 120.200 -0.354 0.000 2.072 337 E HA -0.138 4.211 4.350 -0.001 0.000 0.190 337 E C 2.065 178.455 176.600 -0.349 0.000 0.982 337 E CA 0.436 56.656 56.400 -0.300 0.000 0.803 337 E CB 0.015 29.555 29.700 -0.266 0.000 0.755 337 E HN 0.084 nan 8.360 nan 0.000 0.453 338 L N 0.999 121.905 121.223 -0.527 0.000 2.083 338 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 338 L C 2.261 178.945 176.870 -0.310 0.000 1.083 338 L CA 1.314 55.875 54.840 -0.465 0.000 0.752 338 L CB -0.580 41.117 42.059 -0.604 0.000 0.899 338 L HN 0.271 nan 8.230 nan 0.000 0.433 339 L N -0.301 120.738 121.223 -0.307 0.000 2.131 339 L HA -0.049 4.290 4.340 -0.001 0.000 0.210 339 L C 2.288 179.049 176.870 -0.181 0.000 1.092 339 L CA 1.961 56.660 54.840 -0.235 0.000 0.759 339 L CB -0.807 41.106 42.059 -0.243 0.000 0.903 339 L HN 0.312 nan 8.230 nan 0.000 0.435 340 A N -1.069 121.643 122.820 -0.180 0.000 2.147 340 A HA 0.521 4.841 4.320 -0.001 0.000 0.211 340 A C 1.422 178.936 177.584 -0.117 0.000 1.160 340 A CA 0.430 52.386 52.037 -0.134 0.000 0.781 340 A CB -0.704 18.221 19.000 -0.126 0.000 0.842 340 A HN 0.415 nan 8.150 nan 0.000 0.475 341 A N 0.253 122.992 122.820 -0.135 0.000 2.327 341 A HA 0.370 4.690 4.320 -0.001 0.000 0.255 341 A C -0.020 177.509 177.584 -0.092 0.000 1.099 341 A CA 0.123 52.096 52.037 -0.107 0.000 0.801 341 A CB -0.076 18.855 19.000 -0.116 0.000 1.062 341 A HN 0.256 nan 8.150 nan 0.000 0.496 342 D N 0.245 120.602 120.400 -0.071 0.000 2.455 342 D HA 0.357 4.996 4.640 -0.001 0.000 0.234 342 D C -0.327 175.932 176.300 -0.068 0.000 1.224 342 D CA 0.231 54.193 54.000 -0.063 0.000 0.999 342 D CB -0.731 40.040 40.800 -0.048 0.000 1.072 342 D HN 0.639 nan 8.370 nan 0.000 0.514 343 N N 0.637 119.289 118.700 -0.081 0.000 2.927 343 N HA 0.401 5.140 4.740 -0.001 0.000 0.248 343 N C -2.442 173.013 175.510 -0.092 0.000 1.443 343 N CA -1.165 51.832 53.050 -0.088 0.000 0.870 343 N CB 0.540 38.968 38.487 -0.100 0.000 1.444 343 N HN -0.205 nan 8.380 nan 0.000 0.519 344 P HA 0.131 nan 4.420 nan 0.000 0.222 344 P C -0.266 176.981 177.300 -0.088 0.000 1.147 344 P CA 0.749 63.799 63.100 -0.083 0.000 0.790 344 P CB 0.143 31.795 31.700 -0.080 0.000 0.780 345 I N 0.628 121.126 120.570 -0.119 0.000 2.576 345 I HA -0.045 4.124 4.170 -0.001 0.000 0.288 345 I C 1.198 177.244 176.117 -0.119 0.000 1.126 345 I CA 0.454 61.673 61.300 -0.135 0.000 1.362 345 I CB 0.197 38.071 38.000 -0.210 0.000 1.419 345 I HN 0.021 nan 8.210 nan 0.000 0.533 346 S N 3.779 119.428 115.700 -0.084 0.000 2.559 346 S HA 0.239 4.709 4.470 -0.001 0.000 0.226 346 S C 0.206 174.768 174.600 -0.063 0.000 1.000 346 S CA -0.433 57.723 58.200 -0.072 0.000 0.948 346 S CB 0.366 63.536 63.200 -0.049 0.000 0.870 346 S HN 0.728 nan 8.310 nan 0.000 0.497 347 E N 0.185 120.350 120.200 -0.060 0.000 2.352 347 E HA 0.530 4.879 4.350 -0.001 0.000 0.280 347 E C -2.248 174.324 176.600 -0.047 0.000 0.930 347 E CA -0.832 55.543 56.400 -0.041 0.000 0.765 347 E CB 1.345 31.044 29.700 -0.000 0.000 1.219 347 E HN 0.130 nan 8.360 nan 0.000 0.434 348 L N 3.224 124.428 121.223 -0.031 0.000 2.333 348 L HA 0.525 4.864 4.340 -0.001 0.000 0.280 348 L C -0.643 176.255 176.870 0.047 0.000 1.004 348 L CA -0.415 54.430 54.840 0.008 0.000 0.820 348 L CB 1.452 43.516 42.059 0.008 0.000 1.247 348 L HN 0.452 nan 8.230 nan 0.000 0.416 349 K N 2.272 122.699 120.400 0.045 0.000 2.463 349 K HA 0.760 5.079 4.320 -0.001 0.000 0.255 349 K C -1.540 175.039 176.600 -0.035 0.000 0.942 349 K CA -0.476 55.794 56.287 -0.028 0.000 0.814 349 K CB 1.698 34.188 32.500 -0.017 0.000 1.122 349 K HN 0.351 nan 8.250 nan 0.000 0.425 350 V N 4.887 124.698 119.914 -0.172 0.000 2.581 350 V HA 0.578 4.697 4.120 -0.001 0.000 0.303 350 V C -0.801 175.077 176.094 -0.359 0.000 1.041 350 V CA -0.669 61.554 62.300 -0.129 0.000 0.907 350 V CB 1.085 32.844 31.823 -0.107 0.000 0.994 350 V HN 0.606 nan 8.190 nan 0.000 0.442 351 F N 1.178 121.134 119.950 0.010 0.000 2.563 351 F HA 0.421 4.947 4.527 -0.002 0.000 0.316 351 F C 0.069 175.871 175.800 0.005 0.000 1.076 351 F CA -0.808 57.198 58.000 0.010 0.000 0.921 351 F CB 1.723 40.736 39.000 0.022 0.000 1.209 351 F HN 0.432 nan 8.300 nan 0.000 0.462 352 D N 3.445 123.960 120.400 0.192 0.000 2.365 352 D HA 0.260 4.899 4.640 -0.001 0.000 0.237 352 D C -0.410 175.960 176.300 0.116 0.000 1.190 352 D CA 0.264 54.326 54.000 0.103 0.000 0.867 352 D CB 0.530 41.367 40.800 0.062 0.000 1.050 352 D HN 0.549 nan 8.370 nan 0.000 0.491 353 L N 4.565 125.845 121.223 0.095 0.000 3.186 353 L HA 0.313 4.652 4.340 -0.001 0.000 0.292 353 L C 1.979 178.889 176.870 0.066 0.000 1.303 353 L CA -0.461 54.431 54.840 0.085 0.000 0.940 353 L CB 0.457 42.579 42.059 0.104 0.000 1.358 353 L HN 0.164 nan 8.230 nan 0.000 0.581 354 R N 0.290 120.815 120.500 0.041 0.000 2.103 354 R HA -0.163 4.176 4.340 -0.001 0.000 0.242 354 R C 1.735 178.076 176.300 0.068 0.000 1.142 354 R CA 1.447 57.558 56.100 0.019 0.000 0.960 354 R CB 0.112 30.397 30.300 -0.026 0.000 0.858 354 R HN 0.387 nan 8.270 nan 0.000 0.439 355 E N 0.618 120.881 120.200 0.105 0.000 2.051 355 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 355 E C 1.197 177.976 176.600 0.299 0.000 0.991 355 E CA 0.690 57.226 56.400 0.226 0.000 0.799 355 E CB -0.436 29.326 29.700 0.104 0.000 0.748 355 E HN 0.099 nan 8.360 nan 0.000 0.449 359 N N 0.496 119.384 118.700 0.314 0.000 2.230 359 N HA 0.331 5.070 4.740 -0.001 0.000 0.202 359 N C 0.974 176.480 175.510 -0.007 0.000 1.119 359 N CA 1.320 54.542 53.050 0.286 0.000 0.851 359 N CB 1.003 39.883 38.487 0.655 0.000 0.990 359 N HN 1.220 nan 8.380 nan 0.000 0.497 360 G N -0.645 108.112 108.800 -0.072 0.000 2.130 360 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.216 360 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.216 360 G C 0.187 174.960 174.900 -0.212 0.000 0.999 360 G CA -0.160 44.846 45.100 -0.156 0.000 0.686 360 G HN 0.527 nan 8.290 nan 0.000 0.515 361 G N -0.538 108.140 108.800 -0.204 0.000 2.609 361 G HA2 0.804 4.763 3.960 -0.001 0.000 0.308 361 G HA3 0.804 4.763 3.960 -0.001 0.000 0.308 361 G C 0.340 175.334 174.900 0.156 0.000 1.369 361 G CA 0.439 45.486 45.100 -0.087 0.000 0.958 361 G HN 1.038 nan 8.290 nan 0.000 0.499 362 G N 1.633 110.605 108.800 0.286 0.000 2.671 362 G HA2 0.612 4.571 3.960 -0.001 0.000 0.275 362 G HA3 0.612 4.571 3.960 -0.001 0.000 0.275 362 G C -1.352 173.692 174.900 0.240 0.000 1.368 362 G CA -1.272 43.998 45.100 0.284 0.000 1.044 362 G HN 0.324 nan 8.290 nan 0.000 0.543 363 P HA -0.122 nan 4.420 nan 0.000 0.216 363 P C 1.977 179.349 177.300 0.119 0.000 1.153 363 P CA 2.420 65.590 63.100 0.116 0.000 0.858 363 P CB 0.152 31.912 31.700 0.100 0.000 0.789 364 A N -1.499 121.406 122.820 0.141 0.000 1.968 364 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 364 A C 2.326 180.002 177.584 0.154 0.000 1.169 364 A CA 1.329 53.441 52.037 0.125 0.000 0.638 364 A CB -1.669 17.397 19.000 0.109 0.000 0.812 364 A HN 0.206 nan 8.150 nan 0.000 0.446 365 C N -0.685 118.736 119.300 0.202 0.000 2.422 365 C HA -0.034 4.425 4.460 -0.001 0.000 0.279 365 C C 2.287 177.502 174.990 0.374 0.000 1.305 365 C CA 0.892 60.065 59.018 0.258 0.000 1.757 365 C CB -1.389 26.482 27.740 0.219 0.000 1.962 365 C HN 0.600 nan 8.230 nan 0.000 0.499 366 L N 0.590 122.014 121.223 0.335 0.000 2.599 366 L HA 0.056 4.395 4.340 -0.001 0.000 0.230 366 L C 0.792 177.756 176.870 0.157 0.000 1.141 366 L CA 0.398 55.392 54.840 0.256 0.000 0.877 366 L CB -0.406 41.763 42.059 0.184 0.000 1.009 366 L HN 0.474 nan 8.230 nan 0.000 0.447 367 R N -0.136 120.454 120.500 0.150 0.000 2.725 367 R HA 0.667 5.006 4.340 -0.001 0.000 0.277 367 R C -1.427 174.955 176.300 0.138 0.000 0.987 367 R CA -0.746 55.431 56.100 0.130 0.000 0.901 367 R CB 1.398 31.752 30.300 0.089 0.000 1.207 367 R HN -0.140 nan 8.270 nan 0.000 0.463 368 L N 1.685 123.008 121.223 0.168 0.000 2.343 368 L HA 0.558 4.897 4.340 -0.001 0.000 0.278 368 L C -0.795 176.183 176.870 0.179 0.000 0.996 368 L CA -0.574 54.352 54.840 0.144 0.000 0.831 368 L CB 1.615 43.744 42.059 0.116 0.000 1.232 368 L HN 0.684 nan 8.230 nan 0.000 0.413 369 R N 4.137 124.712 120.500 0.125 0.000 2.267 369 R HA 0.565 4.904 4.340 -0.001 0.000 0.319 369 R C -1.146 175.213 176.300 0.098 0.000 1.067 369 R CA -0.388 55.785 56.100 0.121 0.000 0.936 369 R CB 0.954 31.305 30.300 0.085 0.000 1.006 369 R HN 0.468 nan 8.270 nan 0.000 0.452 370 V N 4.490 124.495 119.914 0.150 0.000 2.380 370 V HA 0.154 4.273 4.120 -0.001 0.000 0.286 370 V C -0.026 176.143 176.094 0.125 0.000 1.015 370 V CA -0.922 61.438 62.300 0.100 0.000 0.834 370 V CB 1.728 33.596 31.823 0.074 0.000 1.009 370 V HN 0.470 nan 8.190 nan 0.000 0.428 371 V N 7.070 127.024 119.914 0.066 0.000 2.470 371 V HA 0.335 4.455 4.120 -0.001 0.000 0.276 371 V C 0.002 176.169 176.094 0.122 0.000 1.040 371 V CA 0.256 62.590 62.300 0.056 0.000 1.008 371 V CB 0.921 32.780 31.823 0.059 0.000 0.990 371 V HN 0.628 nan 8.190 nan 0.000 0.477 372 L N 4.820 126.131 121.223 0.147 0.000 2.401 372 L HA 0.549 4.888 4.340 -0.001 0.000 0.266 372 L C 0.527 177.431 176.870 0.056 0.000 0.991 372 L CA -0.595 54.337 54.840 0.153 0.000 0.818 372 L CB 2.609 44.813 42.059 0.241 0.000 1.321 372 L HN 0.721 nan 8.230 nan 0.000 0.413 373 T N -2.783 111.784 114.554 0.020 0.000 2.766 373 T HA 0.071 4.420 4.350 -0.001 0.000 0.295 373 T C 0.952 175.569 174.700 -0.140 0.000 1.024 373 T CA -0.213 61.848 62.100 -0.066 0.000 1.018 373 T CB 1.179 70.018 68.868 -0.049 0.000 1.002 373 T HN 0.801 nan 8.240 nan 0.000 0.532 374 E N 0.275 120.337 120.200 -0.230 0.000 2.118 374 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 374 E C 1.905 178.424 176.600 -0.134 0.000 0.992 374 E CA 1.561 57.799 56.400 -0.270 0.000 0.804 374 E CB -0.119 29.415 29.700 -0.277 0.000 0.741 374 E HN 0.823 nan 8.360 nan 0.000 0.458 375 E N 0.096 120.241 120.200 -0.092 0.000 2.152 375 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 375 E C 2.029 178.615 176.600 -0.023 0.000 0.983 375 E CA 1.054 57.419 56.400 -0.057 0.000 0.818 375 E CB 0.028 29.690 29.700 -0.064 0.000 0.758 375 E HN 0.398 nan 8.360 nan 0.000 0.467 376 E N 0.691 120.885 120.200 -0.010 0.000 2.107 376 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 376 E C 2.087 178.844 176.600 0.262 0.000 0.982 376 E CA 0.474 56.924 56.400 0.084 0.000 0.809 376 E CB 0.043 29.794 29.700 0.084 0.000 0.756 376 E HN 0.118 nan 8.360 nan 0.000 0.459 377 R N 0.628 121.211 120.500 0.139 0.000 2.096 377 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 377 R C 2.269 178.638 176.300 0.114 0.000 1.127 377 R CA 1.036 57.220 56.100 0.139 0.000 0.968 377 R CB -0.149 30.165 30.300 0.024 0.000 0.861 377 R HN 0.090 nan 8.270 nan 0.000 0.440 378 R N 0.025 120.564 120.500 0.066 0.000 2.148 378 R HA 0.004 4.344 4.340 -0.001 0.000 0.223 378 R C 2.081 178.432 176.300 0.086 0.000 1.088 378 R CA 1.056 57.186 56.100 0.050 0.000 0.985 378 R CB -0.095 30.212 30.300 0.013 0.000 0.880 378 R HN 0.163 nan 8.270 nan 0.000 0.451 379 A N 0.901 123.812 122.820 0.151 0.000 2.119 379 A HA 0.055 4.375 4.320 -0.001 0.000 0.216 379 A C 0.957 178.708 177.584 0.279 0.000 1.152 379 A CA 0.214 52.381 52.037 0.217 0.000 0.708 379 A CB 0.176 19.312 19.000 0.227 0.000 0.805 379 A HN 0.002 nan 8.150 nan 0.000 0.460 380 V N 1.879 121.926 119.914 0.222 0.000 2.715 380 V HA 0.000 4.120 4.120 -0.001 0.000 0.299 380 V C 0.734 176.798 176.094 -0.050 0.000 1.054 380 V CA -0.706 61.593 62.300 -0.002 0.000 1.077 380 V CB 0.567 32.388 31.823 -0.002 0.000 0.972 380 V HN 0.575 nan 8.190 nan 0.000 0.484 381 N N 7.181 125.792 118.700 -0.147 0.000 2.347 381 N HA -0.029 4.710 4.740 -0.001 0.000 0.278 381 N C -1.037 174.425 175.510 -0.081 0.000 1.367 381 N CA -1.006 51.977 53.050 -0.112 0.000 0.898 381 N CB 1.043 39.432 38.487 -0.164 0.000 1.203 381 N HN 0.425 nan 8.380 nan 0.000 0.491 382 P HA -0.124 nan 4.420 nan 0.000 0.221 382 P C 0.720 177.993 177.300 -0.045 0.000 1.145 382 P CA 0.833 63.913 63.100 -0.034 0.000 0.795 382 P CB 0.104 31.794 31.700 -0.016 0.000 0.775 383 A N 0.072 122.859 122.820 -0.056 0.000 2.172 383 A HA 0.067 4.387 4.320 -0.001 0.000 0.216 383 A C 1.441 178.983 177.584 -0.070 0.000 1.154 383 A CA 0.982 52.984 52.037 -0.059 0.000 0.701 383 A CB -1.006 17.956 19.000 -0.065 0.000 0.789 383 A HN 0.259 nan 8.150 nan 0.000 0.465 388 D N -0.208 120.220 120.400 0.046 0.000 2.133 388 D HA -0.145 4.494 4.640 -0.001 0.000 0.195 388 D C 1.072 177.459 176.300 0.145 0.000 0.997 388 D CA 2.296 56.360 54.000 0.107 0.000 0.840 388 D CB -0.416 40.426 40.800 0.069 0.000 0.947 388 D HN 0.673 nan 8.370 nan 0.000 0.452 389 T N 1.373 115.979 114.554 0.086 0.000 2.708 389 T HA -0.146 4.204 4.350 -0.001 0.000 0.266 389 T C 1.964 176.705 174.700 0.069 0.000 1.037 389 T CA 0.586 62.726 62.100 0.066 0.000 1.146 389 T CB -0.363 68.527 68.868 0.037 0.000 0.865 389 T HN 0.029 nan 8.240 nan 0.000 0.435 390 L N 0.643 121.907 121.223 0.068 0.000 2.056 390 L HA 0.081 4.420 4.340 -0.001 0.000 0.207 390 L C 2.032 178.961 176.870 0.098 0.000 1.078 390 L CA 1.542 56.413 54.840 0.052 0.000 0.749 390 L CB -0.955 41.122 42.059 0.029 0.000 0.901 390 L HN 0.214 nan 8.230 nan 0.000 0.433 391 F N 0.823 120.764 119.950 -0.014 0.000 2.065 391 F HA -0.289 4.238 4.527 -0.001 0.000 0.298 391 F C 2.325 178.131 175.800 0.009 0.000 1.112 391 F CA 2.152 60.149 58.000 -0.005 0.000 1.212 391 F CB -0.559 38.439 39.000 -0.002 0.000 0.975 391 F HN 0.275 nan 8.300 nan 0.000 0.476 392 N N 0.642 119.355 118.700 0.021 0.000 2.188 392 N HA -0.115 4.624 4.740 -0.001 0.000 0.184 392 N C 2.016 177.483 175.510 -0.072 0.000 1.018 392 N CA 1.331 54.327 53.050 -0.089 0.000 0.858 392 N CB -0.801 37.703 38.487 0.028 0.000 0.989 392 N HN 0.431 nan 8.380 nan 0.000 0.426 393 A N 1.487 124.298 122.820 -0.015 0.000 1.898 393 A HA -0.026 4.293 4.320 -0.001 0.000 0.216 393 A C 2.391 179.992 177.584 0.029 0.000 1.181 393 A CA 0.862 52.906 52.037 0.010 0.000 0.620 393 A CB -0.694 18.309 19.000 0.006 0.000 0.819 393 A HN 0.173 nan 8.150 nan 0.000 0.442 394 L N -0.402 120.812 121.223 -0.015 0.000 2.093 394 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 394 L C 2.340 179.232 176.870 0.037 0.000 1.085 394 L CA 1.023 55.882 54.840 0.031 0.000 0.755 394 L CB -0.623 41.422 42.059 -0.022 0.000 0.904 394 L HN 0.368 nan 8.230 nan 0.000 0.435 395 N N 0.156 118.761 118.700 -0.158 0.000 2.166 395 N HA -0.183 4.556 4.740 -0.001 0.000 0.186 395 N C 1.419 176.877 175.510 -0.087 0.000 1.019 395 N CA 1.427 54.350 53.050 -0.212 0.000 0.856 395 N CB -0.224 38.016 38.487 -0.412 0.000 0.993 395 N HN 0.312 nan 8.380 nan 0.000 0.426 396 D N -0.468 119.916 120.400 -0.027 0.000 2.117 396 D HA -0.133 4.507 4.640 -0.001 0.000 0.198 396 D C 1.707 178.066 176.300 0.099 0.000 0.982 396 D CA 0.448 54.458 54.000 0.016 0.000 0.828 396 D CB -0.489 40.329 40.800 0.030 0.000 0.967 396 D HN 0.353 nan 8.370 nan 0.000 0.464 397 W N 1.589 122.885 121.300 -0.008 0.000 2.338 397 W HA -0.219 4.440 4.660 -0.001 0.000 0.304 397 W C 2.025 178.628 176.519 0.141 0.000 1.212 397 W CA 1.293 58.708 57.345 0.115 0.000 1.264 397 W CB -0.400 29.135 29.460 0.124 0.000 1.142 397 W HN -0.223 nan 8.180 nan 0.000 0.512 398 V N 1.056 120.990 119.914 0.034 0.000 2.295 398 V HA -0.315 3.805 4.120 -0.001 0.000 0.246 398 V C 2.080 178.063 176.094 -0.185 0.000 1.049 398 V CA 2.417 64.506 62.300 -0.353 0.000 1.024 398 V CB -0.992 30.559 31.823 -0.454 0.000 0.648 398 V HN 0.069 nan 8.190 nan 0.000 0.447 399 D N -0.237 120.089 120.400 -0.122 0.000 2.182 399 D HA -0.140 4.499 4.640 -0.001 0.000 0.201 399 D C 2.398 178.626 176.300 -0.121 0.000 0.986 399 D CA 1.136 55.078 54.000 -0.098 0.000 0.847 399 D CB -0.170 40.580 40.800 -0.083 0.000 0.942 399 D HN 0.450 nan 8.370 nan 0.000 0.467 400 R N -0.804 119.586 120.500 -0.184 0.000 2.075 400 R HA -0.031 4.309 4.340 -0.001 0.000 0.226 400 R C 1.853 177.868 176.300 -0.474 0.000 1.114 400 R CA 0.812 56.695 56.100 -0.363 0.000 0.972 400 R CB -0.142 29.845 30.300 -0.522 0.000 0.869 400 R HN 0.319 nan 8.270 nan 0.000 0.437 401 Y N -1.590 118.592 120.300 -0.196 0.000 2.507 401 Y HA 0.138 4.687 4.550 -0.001 0.000 0.263 401 Y C 0.144 175.951 175.900 -0.156 0.000 1.093 401 Y CA -0.404 57.560 58.100 -0.225 0.000 1.285 401 Y CB 0.344 38.533 38.460 -0.451 0.000 1.115 401 Y HN -0.120 nan 8.280 nan 0.000 0.533 402 Y N 1.739 121.936 120.300 -0.172 0.000 2.319 402 Y HA 0.330 4.879 4.550 -0.001 0.000 0.328 402 Y C 0.532 176.376 175.900 -0.093 0.000 1.133 402 Y CA -1.352 56.669 58.100 -0.132 0.000 1.265 402 Y CB 0.424 38.805 38.460 -0.131 0.000 1.218 402 Y HN -0.139 nan 8.280 nan 0.000 0.508 403 R N 1.538 122.052 120.500 0.024 0.000 2.500 403 R HA 0.151 4.490 4.340 -0.001 0.000 0.275 403 R C -0.247 176.073 176.300 0.033 0.000 1.051 403 R CA -0.441 55.660 56.100 0.001 0.000 1.088 403 R CB 0.607 30.883 30.300 -0.040 0.000 1.063 403 R HN 0.673 nan 8.270 nan 0.000 0.511 404 D N -0.161 120.248 120.400 0.016 0.000 2.354 404 D HA 0.032 4.672 4.640 -0.001 0.000 0.209 404 D C 0.105 176.415 176.300 0.016 0.000 1.015 404 D CA 0.730 54.743 54.000 0.021 0.000 0.867 404 D CB 0.409 41.215 40.800 0.010 0.000 0.933 404 D HN 0.161 nan 8.370 nan 0.000 0.520 405 R N 0.430 120.931 120.500 0.001 0.000 2.604 405 R HA 0.639 4.979 4.340 -0.001 0.000 0.281 405 R C -2.190 174.093 176.300 -0.028 0.000 1.020 405 R CA -0.824 55.272 56.100 -0.006 0.000 0.899 405 R CB 1.350 31.649 30.300 -0.001 0.000 1.205 405 R HN -0.014 nan 8.270 nan 0.000 0.450 406 L N 2.040 123.236 121.223 -0.045 0.000 2.556 406 L HA 0.576 4.915 4.340 -0.001 0.000 0.257 406 L C -1.475 175.349 176.870 -0.078 0.000 0.955 406 L CA -0.009 54.788 54.840 -0.072 0.000 0.850 406 L CB 2.571 44.575 42.059 -0.092 0.000 1.398 406 L HN 0.898 nan 8.230 nan 0.000 0.412 407 T N 0.346 114.856 114.554 -0.073 0.000 2.865 407 T HA 0.703 5.052 4.350 -0.001 0.000 0.294 407 T C 0.797 175.438 174.700 -0.099 0.000 1.119 407 T CA -0.189 61.882 62.100 -0.049 0.000 1.007 407 T CB 1.487 70.348 68.868 -0.011 0.000 1.225 407 T HN 0.849 nan 8.240 nan 0.000 0.515 408 A N 0.669 123.448 122.820 -0.069 0.000 1.986 408 A HA 0.177 4.497 4.320 -0.001 0.000 0.220 408 A C 2.491 180.004 177.584 -0.118 0.000 1.171 408 A CA 2.110 54.066 52.037 -0.135 0.000 0.640 408 A CB -1.485 17.504 19.000 -0.018 0.000 0.811 408 A HN 1.392 nan 8.150 nan 0.000 0.451 409 A N -0.119 122.660 122.820 -0.068 0.000 2.019 409 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 409 A C 1.532 179.072 177.584 -0.073 0.000 1.164 409 A CA 1.626 53.629 52.037 -0.056 0.000 0.644 409 A CB -0.394 18.587 19.000 -0.032 0.000 0.805 409 A HN 0.490 nan 8.150 nan 0.000 0.449 410 D N -0.045 120.300 120.400 -0.091 0.000 2.347 410 D HA 0.009 4.648 4.640 -0.001 0.000 0.215 410 D C 1.593 177.823 176.300 -0.116 0.000 0.976 410 D CA 0.397 54.340 54.000 -0.094 0.000 0.884 410 D CB -0.147 40.598 40.800 -0.093 0.000 0.915 410 D HN 0.481 nan 8.370 nan 0.000 0.526 411 L N 0.524 121.658 121.223 -0.147 0.000 2.362 411 L HA -0.042 4.298 4.340 -0.001 0.000 0.219 411 L C 2.202 179.006 176.870 -0.110 0.000 1.134 411 L CA 0.534 55.281 54.840 -0.155 0.000 0.807 411 L CB -0.239 41.693 42.059 -0.211 0.000 0.927 411 L HN -0.035 nan 8.230 nan 0.000 0.447 412 A N -1.587 121.178 122.820 -0.091 0.000 2.218 412 A HA -0.054 4.265 4.320 -0.001 0.000 0.209 412 A C 0.788 178.330 177.584 -0.069 0.000 1.168 412 A CA -0.049 51.943 52.037 -0.075 0.000 0.804 412 A CB -0.204 18.759 19.000 -0.061 0.000 0.834 412 A HN 0.217 nan 8.150 nan 0.000 0.482 413 D N 0.517 120.873 120.400 -0.073 0.000 2.382 413 D HA 0.159 4.798 4.640 -0.001 0.000 0.259 413 D C -1.711 174.546 176.300 -0.072 0.000 1.224 413 D CA -1.755 52.205 54.000 -0.067 0.000 0.894 413 D CB 1.206 41.965 40.800 -0.068 0.000 1.127 413 D HN 0.044 nan 8.370 nan 0.000 0.487 414 P HA -0.124 nan 4.420 nan 0.000 0.220 414 P C 1.211 178.468 177.300 -0.072 0.000 1.148 414 P CA 0.899 63.959 63.100 -0.067 0.000 0.803 414 P CB 0.291 31.959 31.700 -0.053 0.000 0.782 415 Q N -0.879 118.882 119.800 -0.065 0.000 2.123 415 Q HA -0.129 4.210 4.340 -0.001 0.000 0.199 415 Q C 1.941 177.894 176.000 -0.078 0.000 0.966 415 Q CA 0.791 56.556 55.803 -0.063 0.000 0.845 415 Q CB -0.544 28.163 28.738 -0.052 0.000 0.907 415 Q HN 0.117 nan 8.270 nan 0.000 0.439 416 L N 0.507 121.677 121.223 -0.088 0.000 2.046 416 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 416 L C 2.064 178.857 176.870 -0.128 0.000 1.077 416 L CA 1.354 56.129 54.840 -0.108 0.000 0.747 416 L CB -0.660 41.332 42.059 -0.112 0.000 0.896 416 L HN 0.319 nan 8.230 nan 0.000 0.432 417 L N -0.214 120.935 121.223 -0.123 0.000 1.989 417 L HA -0.222 4.117 4.340 -0.001 0.000 0.211 417 L C 2.671 179.435 176.870 -0.177 0.000 1.071 417 L CA 1.857 56.609 54.840 -0.145 0.000 0.749 417 L CB -0.597 41.387 42.059 -0.126 0.000 0.890 417 L HN 0.228 nan 8.230 nan 0.000 0.431 418 R N -0.511 119.904 120.500 -0.142 0.000 2.096 418 R HA -0.150 4.189 4.340 -0.001 0.000 0.235 418 R C 2.224 178.444 176.300 -0.133 0.000 1.127 418 R CA 1.653 57.669 56.100 -0.139 0.000 0.968 418 R CB -0.341 29.906 30.300 -0.088 0.000 0.861 418 R HN 0.499 nan 8.270 nan 0.000 0.440 419 E N -0.498 119.639 120.200 -0.104 0.000 2.077 419 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 419 E C 2.072 178.565 176.600 -0.179 0.000 0.989 419 E CA 1.232 57.593 56.400 -0.064 0.000 0.800 419 E CB -0.173 29.503 29.700 -0.040 0.000 0.746 419 E HN 0.497 nan 8.360 nan 0.000 0.452 420 G N 0.788 109.452 108.800 -0.227 0.000 2.422 420 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 420 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.218 420 G C 1.552 176.254 174.900 -0.331 0.000 1.146 420 G CA 0.277 45.208 45.100 -0.282 0.000 0.769 420 G HN 0.014 nan 8.290 nan 0.000 0.547 421 R N 0.439 120.692 120.500 -0.413 0.000 2.066 421 R HA -0.010 4.329 4.340 -0.001 0.000 0.232 421 R C 2.327 178.418 176.300 -0.347 0.000 1.131 421 R CA 1.287 56.974 56.100 -0.689 0.000 0.955 421 R CB -0.898 28.934 30.300 -0.780 0.000 0.851 421 R HN 0.607 nan 8.270 nan 0.000 0.432 422 E N 0.621 120.690 120.200 -0.219 0.000 2.051 422 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 422 E C 1.883 178.356 176.600 -0.212 0.000 0.991 422 E CA 1.171 57.514 56.400 -0.095 0.000 0.799 422 E CB -0.012 29.694 29.700 0.010 0.000 0.748 422 E HN 0.256 nan 8.360 nan 0.000 0.449 423 A N 1.464 123.933 122.820 -0.586 0.000 1.873 423 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 423 A C 2.263 179.924 177.584 0.128 0.000 1.193 423 A CA 1.545 53.109 52.037 -0.787 0.000 0.629 423 A CB -0.844 17.593 19.000 -0.937 0.000 0.826 423 A HN 0.357 nan 8.150 nan 0.000 0.447 424 L N -0.902 120.382 121.223 0.102 0.000 2.141 424 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 424 L C 2.346 179.389 176.870 0.288 0.000 1.094 424 L CA 1.705 56.664 54.840 0.198 0.000 0.763 424 L CB -0.611 41.434 42.059 -0.023 0.000 0.908 424 L HN 0.468 nan 8.230 nan 0.000 0.437 425 D N -0.184 120.414 120.400 0.330 0.000 2.117 425 D HA -0.139 4.500 4.640 -0.001 0.000 0.198 425 D C 2.134 178.540 176.300 0.176 0.000 0.982 425 D CA 0.862 55.037 54.000 0.291 0.000 0.828 425 D CB 0.246 41.233 40.800 0.311 0.000 0.967 425 D HN -0.014 nan 8.370 nan 0.000 0.464 426 V N 0.414 120.434 119.914 0.177 0.000 2.358 426 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 426 V C 2.459 178.587 176.094 0.057 0.000 1.047 426 V CA 1.177 63.581 62.300 0.172 0.000 1.035 426 V CB -0.451 31.563 31.823 0.318 0.000 0.658 426 V HN 0.262 nan 8.190 nan 0.000 0.452 427 L N 1.101 122.313 121.223 -0.020 0.000 2.083 427 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 427 L C 2.708 179.491 176.870 -0.145 0.000 1.083 427 L CA 2.361 56.991 54.840 -0.350 0.000 0.752 427 L CB -0.643 41.043 42.059 -0.623 0.000 0.899 427 L HN 0.513 nan 8.230 nan 0.000 0.433 428 S N -1.656 114.052 115.700 0.014 0.000 2.419 428 S HA -0.230 4.239 4.470 -0.001 0.000 0.233 428 S C 1.777 176.356 174.600 -0.034 0.000 1.016 428 S CA 1.203 59.408 58.200 0.009 0.000 0.974 428 S CB -0.501 62.739 63.200 0.067 0.000 0.786 428 S HN 0.688 nan 8.310 nan 0.000 0.492 429 Q N 0.502 120.292 119.800 -0.016 0.000 2.123 429 Q HA 0.228 4.567 4.340 -0.001 0.000 0.196 429 Q C 2.314 178.290 176.000 -0.040 0.000 0.958 429 Q CA 0.961 56.754 55.803 -0.016 0.000 0.841 429 Q CB -0.339 28.409 28.738 0.017 0.000 0.915 429 Q HN 0.491 nan 8.270 nan 0.000 0.455 430 L N 0.837 122.020 121.223 -0.066 0.000 2.042 430 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 430 L C 1.640 178.452 176.870 -0.098 0.000 1.076 430 L CA 1.290 56.077 54.840 -0.088 0.000 0.749 430 L CB 0.005 41.971 42.059 -0.156 0.000 0.893 430 L HN 0.281 nan 8.230 nan 0.000 0.432 431 L N -0.363 120.789 121.223 -0.119 0.000 2.611 431 L HA 0.054 4.393 4.340 -0.001 0.000 0.229 431 L C 0.499 177.313 176.870 -0.093 0.000 1.137 431 L CA -0.079 54.695 54.840 -0.110 0.000 0.901 431 L CB -0.622 41.360 42.059 -0.129 0.000 1.098 431 L HN 0.429 nan 8.230 nan 0.000 0.456 432 N N 0.818 119.472 118.700 -0.077 0.000 2.688 432 N HA -0.223 4.516 4.740 -0.001 0.000 0.258 432 N C 0.300 175.758 175.510 -0.087 0.000 1.016 432 N CA 0.419 53.427 53.050 -0.069 0.000 0.747 432 N CB -0.858 37.594 38.487 -0.059 0.000 0.895 432 N HN 0.372 nan 8.380 nan 0.000 0.543 433 L N -0.717 120.446 121.223 -0.100 0.000 2.638 433 L HA 0.377 4.716 4.340 -0.001 0.000 0.232 433 L C 1.727 178.517 176.870 -0.134 0.000 1.099 433 L CA 0.237 54.997 54.840 -0.134 0.000 0.883 433 L CB -0.307 41.646 42.059 -0.176 0.000 1.136 433 L HN 0.566 nan 8.230 nan 0.000 0.492 434 G N 0.430 109.169 108.800 -0.101 0.000 2.645 434 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.239 434 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.239 434 G C -0.084 174.744 174.900 -0.120 0.000 1.331 434 G CA -0.228 44.816 45.100 -0.092 0.000 0.890 434 G HN 0.121 nan 8.290 nan 0.000 0.572 435 S N 0.135 115.764 115.700 -0.118 0.000 3.919 435 S HA 0.309 4.778 4.470 -0.001 0.000 0.245 435 S C 1.257 175.736 174.600 -0.203 0.000 1.344 435 S CA 0.371 58.481 58.200 -0.151 0.000 0.896 435 S CB 1.002 64.132 63.200 -0.117 0.000 1.557 435 S HN 1.280 nan 8.310 nan 0.000 0.468 436 V N 2.898 122.631 119.914 -0.302 0.000 3.052 436 V HA 0.164 4.283 4.120 -0.001 0.000 0.254 436 V C -0.314 175.489 176.094 -0.484 0.000 1.100 436 V CA 0.804 62.852 62.300 -0.421 0.000 1.112 436 V CB -0.122 31.364 31.823 -0.563 0.000 0.738 436 V HN 0.685 nan 8.190 nan 0.000 0.469 437 Y N 0.071 120.215 120.300 -0.261 0.000 2.376 437 Y HA 0.381 4.930 4.550 -0.001 0.000 0.325 437 Y C -1.158 174.597 175.900 -0.241 0.000 1.199 437 Y CA -2.171 55.781 58.100 -0.248 0.000 1.206 437 Y CB 0.490 38.761 38.460 -0.316 0.000 1.229 437 Y HN -0.032 nan 8.280 nan 0.000 0.480 438 P HA -0.256 nan 4.420 nan 0.000 0.216 438 P C 1.409 178.742 177.300 0.056 0.000 1.153 438 P CA 1.789 64.948 63.100 0.097 0.000 0.858 438 P CB -0.102 31.718 31.700 0.200 0.000 0.789 439 F N -0.038 119.959 119.950 0.078 0.000 2.333 439 F HA -0.102 4.424 4.527 -0.001 0.000 0.300 439 F C 1.594 177.417 175.800 0.039 0.000 1.083 439 F CA 1.084 59.098 58.000 0.024 0.000 1.395 439 F CB -1.661 37.338 39.000 -0.001 0.000 1.056 439 F HN -0.045 nan 8.300 nan 0.000 0.529 440 Q N 0.362 119.851 119.800 -0.517 0.000 2.425 440 Q HA 0.157 4.496 4.340 -0.001 0.000 0.204 440 Q C 0.484 176.407 176.000 -0.129 0.000 0.933 440 Q CA 0.190 55.780 55.803 -0.356 0.000 0.939 440 Q CB 0.200 28.640 28.738 -0.496 0.000 1.044 440 Q HN 0.468 nan 8.270 nan 0.000 0.513 441 R N 0.000 120.450 120.500 -0.083 0.000 2.786 441 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 441 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 441 R CB 0.000 30.274 30.300 -0.044 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535