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 3mkv_1_E DATA FIRST_RESID 2 DATA SEQUENCE TTFLFRNGAL LDPDHPDLLQ GFEILIEDGF IREVSDKPIK SSNAHVIDVK DATA SEQUENCE GKTIMPGLID LHVHVVAIEF NLPRVATLPN VLVTLRAVPI MRAMLRRGFT DATA SEQUENCE TVRDAGGAGY PFKQAVESGL VEGPRLFVSG RALSQTGGHA DPRARSDYMP DATA SEQUENCE PDSPCGCCVR VGALGRVADG VDEVRRAVRE ELQMGADQIX IMASGGVASP DATA SEQUENCE TDPVGVFGYS EDEIRAIVAE AQGRGTYVLA HAYTPAAIAR AVRCGVRTIE DATA SEQUENCE HGNLIDDETA RLVAEHGAYV VPTLVTYDAL ASEGEKYGLP PESIAKIADV DATA SEQUENCE HGAGLHSIEI MKRAGVKMGF GTDLLGEAQR LQSDEFRILA EVLSPAEVIA DATA SEQUENCE SATIVSAEVL GMQDKLGRIV PGAHADVLVV DGNPLKSVDC LLGQGEHIPL DATA SEQUENCE VMKDGRLFVN ELE 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.655 174.700 -0.075 0.000 1.109 2 T CA 0.000 62.068 62.100 -0.053 0.000 1.349 2 T CB 0.000 68.835 68.868 -0.054 0.000 0.612 3 T N 3.083 117.491 114.554 -0.243 0.000 2.893 3 T HA 0.821 5.171 4.350 -0.000 0.000 0.291 3 T C -1.376 173.043 174.700 -0.469 0.000 1.028 3 T CA -0.411 61.578 62.100 -0.186 0.000 0.995 3 T CB 0.820 69.641 68.868 -0.078 0.000 1.051 3 T HN 0.387 nan 8.240 nan 0.000 0.470 4 F N 1.315 121.225 119.950 -0.066 0.000 2.603 4 F HA 0.779 5.306 4.527 -0.000 0.000 0.317 4 F C -0.743 174.924 175.800 -0.222 0.000 1.066 4 F CA -1.218 56.652 58.000 -0.217 0.000 0.941 4 F CB 1.703 40.445 39.000 -0.430 0.000 1.291 4 F HN 0.287 nan 8.300 nan 0.000 0.472 5 L N 2.396 123.552 121.223 -0.111 0.000 2.404 5 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 5 L C -1.749 175.005 176.870 -0.192 0.000 0.980 5 L CA -0.466 54.325 54.840 -0.081 0.000 0.836 5 L CB 0.789 42.851 42.059 0.004 0.000 1.238 5 L HN 0.378 nan 8.230 nan 0.000 0.408 6 F N 4.859 124.863 119.950 0.089 0.000 2.399 6 F HA 0.760 5.287 4.527 -0.000 0.000 0.334 6 F C 0.438 176.276 175.800 0.065 0.000 1.097 6 F CA -0.188 57.849 58.000 0.061 0.000 1.076 6 F CB 1.291 40.312 39.000 0.034 0.000 1.162 6 F HN 0.524 nan 8.300 nan 0.000 0.495 7 R N 2.439 123.087 120.500 0.248 0.000 2.664 7 R HA 0.243 4.583 4.340 -0.000 0.000 0.266 7 R C -0.576 175.799 176.300 0.124 0.000 1.046 7 R CA -0.551 55.640 56.100 0.153 0.000 0.885 7 R CB 1.278 31.640 30.300 0.103 0.000 1.254 7 R HN 0.837 nan 8.270 nan 0.000 0.465 8 N N 0.164 118.920 118.700 0.093 0.000 2.747 8 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 8 N C -0.931 174.621 175.510 0.070 0.000 1.107 8 N CA 1.130 54.222 53.050 0.070 0.000 0.707 8 N CB -0.468 38.054 38.487 0.059 0.000 1.054 8 N HN 0.750 nan 8.380 nan 0.000 0.555 9 G N -0.804 108.045 108.800 0.081 0.000 2.498 9 G HA2 0.760 4.720 3.960 -0.000 0.000 0.312 9 G HA3 0.760 4.720 3.960 -0.000 0.000 0.312 9 G C -0.726 174.203 174.900 0.048 0.000 1.230 9 G CA 0.162 45.295 45.100 0.055 0.000 0.968 9 G HN 0.385 nan 8.290 nan 0.000 0.481 10 A N 0.692 123.523 122.820 0.018 0.000 2.269 10 A HA 0.561 4.881 4.320 -0.000 0.000 0.302 10 A C -0.305 177.267 177.584 -0.021 0.000 1.266 10 A CA -0.432 51.613 52.037 0.013 0.000 0.894 10 A CB 0.757 19.756 19.000 -0.002 0.000 1.147 10 A HN 0.844 nan 8.150 nan 0.000 0.537 11 L N 3.558 124.771 121.223 -0.017 0.000 2.313 11 L HA 0.350 4.690 4.340 -0.000 0.000 0.282 11 L C -0.216 176.590 176.870 -0.106 0.000 1.092 11 L CA -0.062 54.723 54.840 -0.092 0.000 0.831 11 L CB 0.641 42.601 42.059 -0.166 0.000 1.159 11 L HN 0.654 nan 8.230 nan 0.000 0.442 12 L N 5.815 126.970 121.223 -0.114 0.000 2.261 12 L HA 0.335 4.675 4.340 -0.000 0.000 0.289 12 L C -0.678 176.129 176.870 -0.104 0.000 1.059 12 L CA -0.232 54.547 54.840 -0.101 0.000 0.816 12 L CB 0.428 42.423 42.059 -0.107 0.000 1.191 12 L HN 0.672 nan 8.230 nan 0.000 0.431 13 D N 6.877 127.230 120.400 -0.078 0.000 2.349 13 D HA 0.290 4.930 4.640 -0.000 0.000 0.232 13 D C -2.110 174.190 176.300 0.001 0.000 1.071 13 D CA -2.195 51.779 54.000 -0.044 0.000 0.832 13 D CB 2.273 43.057 40.800 -0.027 0.000 1.086 13 D HN 0.253 nan 8.370 nan 0.000 0.504 14 P HA -0.012 nan 4.420 nan 0.000 0.230 14 P C 0.245 177.524 177.300 -0.036 0.000 1.158 14 P CA 0.757 63.838 63.100 -0.031 0.000 0.769 14 P CB 0.174 31.849 31.700 -0.040 0.000 0.807 15 D N -3.577 116.794 120.400 -0.048 0.000 2.369 15 D HA -0.005 4.635 4.640 -0.000 0.000 0.211 15 D C 0.010 176.111 176.300 -0.331 0.000 1.077 15 D CA -0.089 53.815 54.000 -0.161 0.000 0.842 15 D CB -0.512 40.177 40.800 -0.186 0.000 0.947 15 D HN 0.181 nan 8.370 nan 0.000 0.509 16 H N -0.355 118.694 119.070 -0.035 0.000 2.589 16 H HA 0.288 4.844 4.556 -0.000 0.000 0.351 16 H C -1.576 173.736 175.328 -0.026 0.000 1.074 16 H CA -1.730 54.302 56.048 -0.028 0.000 1.203 16 H CB 2.174 31.916 29.762 -0.033 0.000 1.558 16 H HN -0.199 nan 8.280 nan 0.000 0.522 17 P HA -0.090 nan 4.420 nan 0.000 0.219 17 P C -0.177 177.145 177.300 0.037 0.000 1.150 17 P CA 0.996 64.121 63.100 0.042 0.000 0.814 17 P CB 0.597 32.316 31.700 0.032 0.000 0.787 18 D N -0.514 119.915 120.400 0.049 0.000 2.217 18 D HA 0.301 4.941 4.640 -0.000 0.000 0.248 18 D C 0.147 176.455 176.300 0.014 0.000 1.008 18 D CA -0.692 53.323 54.000 0.025 0.000 0.914 18 D CB 1.000 41.814 40.800 0.024 0.000 1.182 18 D HN -0.105 nan 8.370 nan 0.000 0.451 19 L N 2.349 123.572 121.223 -0.001 0.000 2.600 19 L HA 0.088 4.428 4.340 -0.000 0.000 0.278 19 L C 0.268 177.140 176.870 0.003 0.000 1.139 19 L CA -0.241 54.592 54.840 -0.011 0.000 0.933 19 L CB -0.198 41.851 42.059 -0.016 0.000 1.266 19 L HN 0.176 nan 8.230 nan 0.000 0.471 20 L N 3.734 124.949 121.223 -0.012 0.000 2.578 20 L HA -0.053 4.287 4.340 -0.000 0.000 0.279 20 L C 0.302 177.249 176.870 0.128 0.000 1.227 20 L CA 0.302 55.169 54.840 0.045 0.000 0.900 20 L CB 0.050 42.075 42.059 -0.055 0.000 1.144 20 L HN 0.579 nan 8.230 nan 0.000 0.496 21 Q N 1.832 121.731 119.800 0.165 0.000 2.351 21 Q HA 0.563 4.903 4.340 -0.000 0.000 0.273 21 Q C 0.208 176.288 176.000 0.133 0.000 1.077 21 Q CA 0.041 55.924 55.803 0.134 0.000 0.843 21 Q CB 2.073 30.847 28.738 0.060 0.000 1.367 21 Q HN 0.693 nan 8.270 nan 0.000 0.449 22 G N 1.720 110.568 108.800 0.079 0.000 2.248 22 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.263 22 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.263 22 G C -0.785 174.030 174.900 -0.142 0.000 1.082 22 G CA 0.150 45.230 45.100 -0.033 0.000 0.863 22 G HN 0.312 nan 8.290 nan 0.000 0.495 23 F N -0.319 119.635 119.950 0.007 0.000 2.556 23 F HA 0.704 5.231 4.527 0.000 0.000 0.327 23 F C 0.537 176.360 175.800 0.038 0.000 1.059 23 F CA -0.788 57.221 58.000 0.014 0.000 0.953 23 F CB 1.877 40.878 39.000 0.002 0.000 1.227 23 F HN 0.094 nan 8.300 nan 0.000 0.478 24 E N 2.311 122.674 120.200 0.271 0.000 2.248 24 E HA 0.557 4.907 4.350 -0.000 0.000 0.267 24 E C -1.361 175.376 176.600 0.228 0.000 0.877 24 E CA -0.629 55.895 56.400 0.208 0.000 0.759 24 E CB 2.618 32.397 29.700 0.131 0.000 1.182 24 E HN 0.368 nan 8.360 nan 0.000 0.418 25 I N 3.008 123.728 120.570 0.249 0.000 2.378 25 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 25 I C -0.945 175.329 176.117 0.262 0.000 0.992 25 I CA -1.020 60.431 61.300 0.252 0.000 1.154 25 I CB 1.147 39.308 38.000 0.268 0.000 1.315 25 I HN 0.224 nan 8.210 nan 0.000 0.448 26 L N 8.090 129.430 121.223 0.195 0.000 2.298 26 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 26 L C -0.774 176.206 176.870 0.184 0.000 1.013 26 L CA -0.301 54.637 54.840 0.164 0.000 0.824 26 L CB 0.803 42.931 42.059 0.114 0.000 1.221 26 L HN 0.333 nan 8.230 nan 0.000 0.418 27 I N 4.800 125.503 120.570 0.221 0.000 2.377 27 I HA 0.485 4.655 4.170 -0.000 0.000 0.293 27 I C -0.128 176.123 176.117 0.223 0.000 0.987 27 I CA -0.502 60.943 61.300 0.242 0.000 1.185 27 I CB 1.315 39.496 38.000 0.302 0.000 1.341 27 I HN 0.732 nan 8.210 nan 0.000 0.455 28 E N 4.086 124.403 120.200 0.195 0.000 2.304 28 E HA 0.356 4.706 4.350 -0.000 0.000 0.277 28 E C -1.274 175.433 176.600 0.179 0.000 0.898 28 E CA -0.691 55.803 56.400 0.156 0.000 0.764 28 E CB 1.853 31.606 29.700 0.087 0.000 1.216 28 E HN 0.467 nan 8.360 nan 0.000 0.419 29 D N 2.000 122.503 120.400 0.173 0.000 2.723 29 D HA -0.189 4.451 4.640 -0.000 0.000 0.236 29 D C 0.867 177.346 176.300 0.298 0.000 1.138 29 D CA 1.900 56.015 54.000 0.191 0.000 0.676 29 D CB -1.244 39.637 40.800 0.134 0.000 1.069 29 D HN 1.167 nan 8.370 nan 0.000 0.430 30 G N -1.067 107.884 108.800 0.252 0.000 2.155 30 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 30 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 30 G C 0.121 175.013 174.900 -0.012 0.000 0.983 30 G CA 0.498 45.692 45.100 0.156 0.000 0.676 30 G HN 0.461 nan 8.290 nan 0.000 0.528 31 F N -0.312 119.663 119.950 0.040 0.000 2.576 31 F HA 0.600 5.127 4.527 -0.000 0.000 0.313 31 F C 0.510 176.336 175.800 0.043 0.000 1.078 31 F CA -1.467 56.532 58.000 -0.002 0.000 0.921 31 F CB 1.312 40.284 39.000 -0.048 0.000 1.232 31 F HN -0.140 nan 8.300 nan 0.000 0.459 32 I N 3.150 123.837 120.570 0.195 0.000 2.581 32 I HA 0.068 4.238 4.170 -0.000 0.000 0.285 32 I C 1.014 177.230 176.117 0.164 0.000 1.129 32 I CA 0.285 61.678 61.300 0.155 0.000 1.397 32 I CB 0.696 38.758 38.000 0.102 0.000 1.399 32 I HN 0.687 nan 8.210 nan 0.000 0.537 33 R N 5.483 126.071 120.500 0.146 0.000 2.074 33 R HA 0.176 4.516 4.340 -0.000 0.000 0.218 33 R C 0.039 176.394 176.300 0.092 0.000 1.137 33 R CA 1.258 57.425 56.100 0.111 0.000 0.998 33 R CB 0.407 30.768 30.300 0.101 0.000 0.895 33 R HN 0.679 nan 8.270 nan 0.000 0.442 34 E N -1.228 119.032 120.200 0.101 0.000 2.366 34 E HA 0.442 4.792 4.350 -0.000 0.000 0.278 34 E C -1.765 174.906 176.600 0.117 0.000 0.923 34 E CA -0.863 55.594 56.400 0.096 0.000 0.761 34 E CB 3.103 32.854 29.700 0.084 0.000 1.231 34 E HN -0.132 nan 8.360 nan 0.000 0.443 35 V N 1.344 121.333 119.914 0.125 0.000 2.569 35 V HA 0.751 4.871 4.120 -0.000 0.000 0.301 35 V C -0.660 175.598 176.094 0.274 0.000 1.044 35 V CA -0.569 61.832 62.300 0.170 0.000 0.874 35 V CB 1.653 33.520 31.823 0.073 0.000 1.002 35 V HN 0.614 nan 8.190 nan 0.000 0.424 36 S N 1.739 117.674 115.700 0.392 0.000 2.597 36 S HA 0.351 4.821 4.470 -0.000 0.000 0.274 36 S C 0.104 174.665 174.600 -0.065 0.000 1.132 36 S CA 0.110 58.496 58.200 0.309 0.000 0.835 36 S CB 1.790 65.065 63.200 0.126 0.000 1.092 36 S HN 0.929 nan 8.310 nan 0.000 0.457 37 D N 2.103 122.158 120.400 -0.575 0.000 2.095 37 D HA -0.072 4.568 4.640 -0.000 0.000 0.192 37 D C 0.098 176.250 176.300 -0.246 0.000 0.990 37 D CA 1.155 54.775 54.000 -0.633 0.000 0.836 37 D CB -0.511 39.937 40.800 -0.587 0.000 0.979 37 D HN 0.528 nan 8.370 nan 0.000 0.447 38 K N 2.012 122.319 120.400 -0.154 0.000 2.441 38 K HA 0.020 4.340 4.320 -0.000 0.000 0.273 38 K C -2.199 174.377 176.600 -0.040 0.000 1.090 38 K CA -0.766 55.475 56.287 -0.076 0.000 1.158 38 K CB -0.082 32.391 32.500 -0.045 0.000 0.847 38 K HN 0.159 nan 8.250 nan 0.000 0.483 39 P HA -0.133 nan 4.420 nan 0.000 0.269 39 P C -0.331 176.977 177.300 0.013 0.000 1.200 39 P CA 0.427 63.527 63.100 -0.001 0.000 0.779 39 P CB 0.379 32.077 31.700 -0.002 0.000 0.841 40 I N 1.202 121.790 120.570 0.029 0.000 2.359 40 I HA 0.234 4.404 4.170 -0.000 0.000 0.294 40 I C 0.600 176.732 176.117 0.024 0.000 0.987 40 I CA -0.789 60.532 61.300 0.034 0.000 1.225 40 I CB 0.890 38.923 38.000 0.054 0.000 1.366 40 I HN 0.226 nan 8.210 nan 0.000 0.466 41 K N 4.139 124.550 120.400 0.019 0.000 2.206 41 K HA 0.377 4.697 4.320 -0.000 0.000 0.268 41 K C -0.392 176.215 176.600 0.012 0.000 1.111 41 K CA 0.002 56.296 56.287 0.012 0.000 0.955 41 K CB 0.454 32.959 32.500 0.008 0.000 1.406 41 K HN 0.423 nan 8.250 nan 0.000 0.427 42 S N 0.756 116.462 115.700 0.010 0.000 2.707 42 S HA 0.074 4.544 4.470 -0.000 0.000 0.303 42 S C 1.022 175.619 174.600 -0.004 0.000 1.132 42 S CA -0.769 57.434 58.200 0.005 0.000 1.046 42 S CB 1.447 64.654 63.200 0.011 0.000 1.004 42 S HN 0.665 nan 8.310 nan 0.000 0.483 43 S N 3.403 119.097 115.700 -0.010 0.000 2.356 43 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 43 S C 0.991 175.575 174.600 -0.026 0.000 1.032 43 S CA 1.187 59.377 58.200 -0.016 0.000 1.005 43 S CB -0.257 62.934 63.200 -0.016 0.000 0.867 43 S HN 0.586 nan 8.310 nan 0.000 0.449 44 N N 1.612 120.291 118.700 -0.034 0.000 2.204 44 N HA 0.490 5.230 4.740 -0.000 0.000 0.219 44 N C -0.119 175.351 175.510 -0.066 0.000 1.151 44 N CA 0.354 53.373 53.050 -0.052 0.000 0.867 44 N CB 0.619 39.072 38.487 -0.056 0.000 1.043 44 N HN 0.594 nan 8.380 nan 0.000 0.516 45 A N 0.352 123.143 122.820 -0.048 0.000 2.511 45 A HA -0.013 4.307 4.320 -0.000 0.000 0.242 45 A C 0.057 177.620 177.584 -0.035 0.000 1.069 45 A CA -0.053 51.950 52.037 -0.055 0.000 0.763 45 A CB -0.414 18.574 19.000 -0.019 0.000 1.001 45 A HN 0.537 nan 8.150 nan 0.000 0.498 46 H N 2.384 121.310 119.070 -0.239 0.000 2.944 46 H HA 0.387 4.943 4.556 -0.000 0.000 0.278 46 H C -0.544 174.719 175.328 -0.108 0.000 1.083 46 H CA -0.616 55.310 56.048 -0.204 0.000 1.479 46 H CB 0.380 29.918 29.762 -0.374 0.000 1.486 46 H HN 0.367 nan 8.280 nan 0.000 0.493 47 V N 7.857 127.910 119.914 0.232 0.000 2.530 47 V HA 0.103 4.223 4.120 -0.000 0.000 0.282 47 V C 0.393 176.602 176.094 0.192 0.000 1.048 47 V CA -0.108 62.271 62.300 0.132 0.000 0.997 47 V CB 0.757 32.617 31.823 0.063 0.000 0.987 47 V HN 0.672 nan 8.190 nan 0.000 0.477 48 I N 3.883 124.459 120.570 0.010 0.000 2.433 48 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 48 I C -0.613 175.557 176.117 0.089 0.000 1.001 48 I CA -0.550 60.760 61.300 0.016 0.000 1.119 48 I CB 1.939 39.828 38.000 -0.184 0.000 1.289 48 I HN 0.481 nan 8.210 nan 0.000 0.438 49 D N 5.408 125.872 120.400 0.107 0.000 2.467 49 D HA 0.244 4.884 4.640 -0.000 0.000 0.220 49 D C 0.805 177.170 176.300 0.109 0.000 1.103 49 D CA -0.322 53.739 54.000 0.100 0.000 0.886 49 D CB 1.429 42.274 40.800 0.074 0.000 1.025 49 D HN 0.260 nan 8.370 nan 0.000 0.514 50 V N 4.350 124.341 119.914 0.129 0.000 2.332 50 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 50 V C 1.166 177.299 176.094 0.066 0.000 1.055 50 V CA 1.187 63.550 62.300 0.105 0.000 1.038 50 V CB -0.780 31.101 31.823 0.096 0.000 0.651 50 V HN 0.827 nan 8.190 nan 0.000 0.450 51 K N -0.647 119.788 120.400 0.060 0.000 3.239 51 K HA -0.210 4.110 4.320 -0.000 0.000 0.270 51 K C 0.878 177.497 176.600 0.032 0.000 1.049 51 K CA 0.454 56.767 56.287 0.043 0.000 0.769 51 K CB -2.035 30.489 32.500 0.040 0.000 1.305 51 K HN 0.981 nan 8.250 nan 0.000 0.469 52 G N 0.233 109.052 108.800 0.032 0.000 2.187 52 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.261 52 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.261 52 G C 0.194 175.101 174.900 0.011 0.000 1.000 52 G CA 1.213 46.326 45.100 0.021 0.000 0.718 52 G HN 0.436 nan 8.290 nan 0.000 0.519 53 K N -0.085 120.322 120.400 0.012 0.000 2.117 53 K HA 0.545 4.865 4.320 -0.000 0.000 0.240 53 K C 0.622 177.207 176.600 -0.025 0.000 1.031 53 K CA -0.008 56.276 56.287 -0.005 0.000 0.909 53 K CB 0.454 32.955 32.500 0.001 0.000 1.097 53 K HN 0.110 nan 8.250 nan 0.000 0.492 54 T N 1.471 115.995 114.554 -0.050 0.000 2.845 54 T HA 0.389 4.739 4.350 -0.000 0.000 0.288 54 T C 0.059 174.691 174.700 -0.114 0.000 0.980 54 T CA -0.461 61.594 62.100 -0.075 0.000 1.071 54 T CB 0.371 69.188 68.868 -0.086 0.000 0.941 54 T HN 0.283 nan 8.240 nan 0.000 0.487 55 I N 4.523 125.013 120.570 -0.134 0.000 2.355 55 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 55 I C 0.148 176.148 176.117 -0.194 0.000 0.999 55 I CA -0.641 60.535 61.300 -0.207 0.000 1.163 55 I CB 0.867 38.728 38.000 -0.232 0.000 1.316 55 I HN 0.568 nan 8.210 nan 0.000 0.454 56 M N 6.289 125.762 119.600 -0.212 0.000 2.658 56 M HA 0.746 5.226 4.480 -0.000 0.000 0.295 56 M C -2.927 173.255 176.300 -0.196 0.000 1.248 56 M CA -2.137 53.049 55.300 -0.189 0.000 0.843 56 M CB 2.008 34.498 32.600 -0.184 0.000 1.749 56 M HN -0.020 nan 8.290 nan 0.000 0.464 57 P HA 0.158 nan 4.420 nan 0.000 0.268 57 P C 0.028 177.227 177.300 -0.168 0.000 1.208 57 P CA 0.164 63.176 63.100 -0.147 0.000 0.777 57 P CB 0.227 31.858 31.700 -0.115 0.000 0.875 58 G N 2.213 110.921 108.800 -0.154 0.000 2.491 58 G HA2 0.225 4.185 3.960 -0.000 0.000 0.238 58 G HA3 0.225 4.185 3.960 -0.000 0.000 0.238 58 G C -0.285 174.508 174.900 -0.178 0.000 1.277 58 G CA -0.475 44.523 45.100 -0.172 0.000 0.851 58 G HN 0.394 nan 8.290 nan 0.000 0.573 59 L N 0.886 121.951 121.223 -0.264 0.000 2.417 59 L HA 0.383 4.723 4.340 -0.000 0.000 0.268 59 L C 0.374 177.214 176.870 -0.051 0.000 1.158 59 L CA -0.140 54.522 54.840 -0.296 0.000 0.819 59 L CB 0.867 42.477 42.059 -0.748 0.000 1.112 59 L HN 0.306 nan 8.230 nan 0.000 0.458 60 I N 1.594 122.200 120.570 0.061 0.000 2.465 60 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 60 I C -0.875 175.439 176.117 0.328 0.000 1.014 60 I CA -0.484 60.920 61.300 0.174 0.000 1.093 60 I CB 2.060 40.080 38.000 0.034 0.000 1.267 60 I HN 0.496 nan 8.210 nan 0.000 0.431 61 D N 6.530 127.105 120.400 0.293 0.000 2.492 61 D HA 0.336 4.976 4.640 -0.000 0.000 0.248 61 D C 0.056 176.382 176.300 0.044 0.000 1.101 61 D CA -0.383 53.747 54.000 0.217 0.000 0.840 61 D CB 1.881 42.635 40.800 -0.076 0.000 1.209 61 D HN 0.440 nan 8.370 nan 0.000 0.524 62 L N 2.922 124.165 121.223 0.033 0.000 2.612 62 L HA 0.182 4.522 4.340 -0.000 0.000 0.230 62 L C 0.262 177.103 176.870 -0.048 0.000 1.140 62 L CA 0.145 54.967 54.840 -0.030 0.000 0.896 62 L CB -0.163 41.876 42.059 -0.032 0.000 1.065 62 L HN 0.436 nan 8.230 nan 0.000 0.447 63 H N -0.121 118.834 119.070 -0.192 0.000 2.941 63 H HA 0.385 4.941 4.556 -0.000 0.000 0.291 63 H C -1.018 174.106 175.328 -0.340 0.000 1.361 63 H CA -0.610 55.276 56.048 -0.269 0.000 1.606 63 H CB 0.818 30.421 29.762 -0.264 0.000 1.848 63 H HN -0.087 nan 8.280 nan 0.000 0.601 64 V N 0.678 120.368 119.914 -0.373 0.000 3.019 64 V HA 0.601 4.721 4.120 -0.000 0.000 0.317 64 V C -0.680 175.055 176.094 -0.597 0.000 1.094 64 V CA -0.706 61.377 62.300 -0.361 0.000 1.000 64 V CB 2.350 34.020 31.823 -0.255 0.000 1.060 64 V HN 0.661 nan 8.190 nan 0.000 0.443 65 H N 2.185 121.172 119.070 -0.138 0.000 2.792 65 H HA 0.428 4.984 4.556 0.000 0.000 0.298 65 H C 0.682 175.899 175.328 -0.185 0.000 1.042 65 H CA -0.340 55.616 56.048 -0.154 0.000 1.300 65 H CB 1.826 31.518 29.762 -0.117 0.000 1.431 65 H HN 0.533 nan 8.280 nan 0.000 0.496 66 V N 3.300 123.126 119.914 -0.148 0.000 2.469 66 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 66 V C 2.125 178.076 176.094 -0.239 0.000 1.064 66 V CA 2.194 64.344 62.300 -0.251 0.000 1.066 66 V CB -0.139 31.426 31.823 -0.430 0.000 0.667 66 V HN 0.647 nan 8.190 nan 0.000 0.461 67 V N -2.004 117.802 119.914 -0.181 0.000 3.514 67 V HA 0.504 4.624 4.120 -0.000 0.000 0.301 67 V C 1.145 177.187 176.094 -0.086 0.000 1.346 67 V CA 0.351 62.579 62.300 -0.120 0.000 1.156 67 V CB -0.343 31.451 31.823 -0.049 0.000 1.029 67 V HN 0.303 nan 8.190 nan 0.000 0.428 68 A N 1.800 124.566 122.820 -0.090 0.000 3.048 68 A HA 0.487 4.807 4.320 -0.000 0.000 0.264 68 A C 1.213 178.708 177.584 -0.150 0.000 1.796 68 A CA 0.158 52.122 52.037 -0.122 0.000 1.445 68 A CB -1.104 17.828 19.000 -0.114 0.000 1.074 68 A HN 0.897 nan 8.150 nan 0.000 0.621 69 I N -1.731 118.770 120.570 -0.115 0.000 3.444 69 I HA 0.155 4.325 4.170 -0.000 0.000 0.287 69 I C 0.391 176.437 176.117 -0.118 0.000 1.302 69 I CA 0.358 61.594 61.300 -0.107 0.000 1.368 69 I CB -0.394 37.570 38.000 -0.060 0.000 1.048 69 I HN 0.631 nan 8.210 nan 0.000 0.487 70 E N -1.032 119.083 120.200 -0.141 0.000 2.422 70 E HA 0.234 4.584 4.350 -0.000 0.000 0.280 70 E C -0.627 175.897 176.600 -0.128 0.000 1.091 70 E CA -0.805 55.528 56.400 -0.111 0.000 0.849 70 E CB 0.063 29.771 29.700 0.014 0.000 1.353 70 E HN -0.103 nan 8.360 nan 0.000 0.449 71 F N 0.487 120.427 119.950 -0.016 0.000 2.234 71 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 71 F C 1.453 177.247 175.800 -0.010 0.000 1.087 71 F CA 0.756 58.754 58.000 -0.004 0.000 1.340 71 F CB 0.052 39.072 39.000 0.033 0.000 1.031 71 F HN 0.415 nan 8.300 nan 0.000 0.500 72 N N 1.627 120.426 118.700 0.164 0.000 2.549 72 N HA 0.049 4.789 4.740 -0.000 0.000 0.267 72 N C 0.893 176.414 175.510 0.017 0.000 1.182 72 N CA 0.233 53.330 53.050 0.079 0.000 1.019 72 N CB 0.165 38.693 38.487 0.069 0.000 1.380 72 N HN 0.245 nan 8.380 nan 0.000 0.505 73 L N 3.505 124.720 121.223 -0.014 0.000 2.093 73 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 73 L C -0.589 176.245 176.870 -0.059 0.000 1.085 73 L CA 0.913 55.716 54.840 -0.061 0.000 0.755 73 L CB -1.119 40.875 42.059 -0.107 0.000 0.904 73 L HN 0.357 nan 8.230 nan 0.000 0.435 74 P HA -0.184 nan 4.420 nan 0.000 0.217 74 P C 1.478 178.763 177.300 -0.025 0.000 1.150 74 P CA 1.240 64.314 63.100 -0.044 0.000 0.832 74 P CB -0.067 31.610 31.700 -0.038 0.000 0.787 75 R N -0.048 120.445 120.500 -0.012 0.000 2.115 75 R HA -0.068 4.272 4.340 -0.000 0.000 0.230 75 R C 1.792 178.089 176.300 -0.005 0.000 1.111 75 R CA 1.099 57.199 56.100 -0.001 0.000 0.976 75 R CB -0.775 29.532 30.300 0.012 0.000 0.870 75 R HN -0.020 nan 8.270 nan 0.000 0.445 76 V N 1.420 121.325 119.914 -0.014 0.000 2.343 76 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 76 V C 2.523 178.608 176.094 -0.014 0.000 1.051 76 V CA 1.896 64.186 62.300 -0.017 0.000 1.036 76 V CB -0.774 31.028 31.823 -0.036 0.000 0.654 76 V HN 0.566 nan 8.190 nan 0.000 0.451 77 A N 0.575 123.381 122.820 -0.022 0.000 1.986 77 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 77 A C 2.426 180.006 177.584 -0.006 0.000 1.171 77 A CA 2.684 54.710 52.037 -0.017 0.000 0.640 77 A CB -0.854 18.130 19.000 -0.026 0.000 0.811 77 A HN 0.671 nan 8.150 nan 0.000 0.451 78 T N -2.570 111.981 114.554 -0.004 0.000 3.081 78 T HA 0.342 4.692 4.350 -0.000 0.000 0.255 78 T C 0.654 175.357 174.700 0.005 0.000 1.113 78 T CA -0.164 61.937 62.100 0.002 0.000 1.082 78 T CB -0.528 68.342 68.868 0.004 0.000 0.939 78 T HN 0.245 nan 8.240 nan 0.000 0.506 79 L N 2.062 123.289 121.223 0.006 0.000 2.467 79 L HA 0.321 4.661 4.340 -0.000 0.000 0.270 79 L C -2.096 174.780 176.870 0.010 0.000 1.205 79 L CA -2.187 52.658 54.840 0.009 0.000 0.828 79 L CB -0.180 41.885 42.059 0.010 0.000 1.101 79 L HN 0.014 nan 8.230 nan 0.000 0.479 80 P HA 0.012 nan 4.420 nan 0.000 0.265 80 P C -0.030 177.278 177.300 0.013 0.000 1.187 80 P CA -0.036 63.070 63.100 0.010 0.000 0.766 80 P CB 0.423 32.129 31.700 0.009 0.000 0.820 81 N N 1.360 120.066 118.700 0.010 0.000 2.069 81 N HA -0.129 4.611 4.740 -0.000 0.000 0.191 81 N C 1.697 177.215 175.510 0.013 0.000 1.031 81 N CA 1.089 54.146 53.050 0.011 0.000 0.852 81 N CB -0.989 37.496 38.487 -0.003 0.000 1.018 81 N HN 0.120 nan 8.380 nan 0.000 0.423 82 V N 1.991 121.909 119.914 0.006 0.000 2.252 82 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 82 V C 2.456 178.563 176.094 0.021 0.000 1.056 82 V CA 1.476 63.780 62.300 0.007 0.000 1.022 82 V CB -0.608 31.218 31.823 0.004 0.000 0.641 82 V HN 0.265 nan 8.190 nan 0.000 0.445 83 L N -0.651 120.585 121.223 0.021 0.000 2.046 83 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 83 L C 2.479 179.369 176.870 0.034 0.000 1.077 83 L CA 1.197 56.052 54.840 0.024 0.000 0.747 83 L CB -0.707 41.363 42.059 0.018 0.000 0.896 83 L HN 0.222 nan 8.230 nan 0.000 0.432 84 V N -0.395 119.543 119.914 0.040 0.000 2.287 84 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 84 V C 2.581 178.738 176.094 0.106 0.000 1.053 84 V CA 2.453 64.787 62.300 0.057 0.000 1.027 84 V CB -0.896 30.964 31.823 0.062 0.000 0.646 84 V HN 0.483 nan 8.190 nan 0.000 0.447 85 T N 0.476 115.103 114.554 0.121 0.000 2.684 85 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 85 T C 1.820 176.613 174.700 0.156 0.000 1.036 85 T CA 1.652 63.863 62.100 0.186 0.000 1.148 85 T CB -0.323 68.578 68.868 0.056 0.000 0.863 85 T HN 0.324 nan 8.240 nan 0.000 0.436 86 L N 0.038 121.310 121.223 0.083 0.000 2.291 86 L HA 0.071 4.411 4.340 -0.000 0.000 0.214 86 L C 2.671 179.572 176.870 0.050 0.000 1.120 86 L CA 0.947 55.825 54.840 0.062 0.000 0.799 86 L CB -0.324 41.757 42.059 0.038 0.000 0.925 86 L HN 0.124 nan 8.230 nan 0.000 0.446 87 R N -0.264 120.261 120.500 0.043 0.000 2.210 87 R HA 0.087 4.427 4.340 -0.000 0.000 0.203 87 R C 2.255 178.554 176.300 -0.001 0.000 1.010 87 R CA 0.738 56.847 56.100 0.015 0.000 1.008 87 R CB -0.101 30.202 30.300 0.004 0.000 0.923 87 R HN 0.242 nan 8.270 nan 0.000 0.469 88 A N 0.651 123.480 122.820 0.016 0.000 2.119 88 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 88 A C 2.087 179.651 177.584 -0.033 0.000 1.153 88 A CA 0.680 52.686 52.037 -0.051 0.000 0.692 88 A CB -0.098 18.830 19.000 -0.119 0.000 0.799 88 A HN 0.053 nan 8.150 nan 0.000 0.458 89 V N 1.271 121.204 119.914 0.032 0.000 2.244 89 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 89 V C -0.066 176.036 176.094 0.013 0.000 1.042 89 V CA 2.325 64.650 62.300 0.043 0.000 1.006 89 V CB -1.427 30.433 31.823 0.063 0.000 0.641 89 V HN 0.419 nan 8.190 nan 0.000 0.446 90 P HA -0.160 nan 4.420 nan 0.000 0.218 90 P C 1.813 179.104 177.300 -0.015 0.000 1.148 90 P CA 1.668 64.769 63.100 0.002 0.000 0.822 90 P CB -0.044 31.657 31.700 -0.000 0.000 0.784 91 I N -1.051 119.496 120.570 -0.038 0.000 2.179 91 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 91 I C 2.741 178.819 176.117 -0.066 0.000 1.088 91 I CA 1.527 62.789 61.300 -0.063 0.000 1.357 91 I CB -0.537 37.405 38.000 -0.096 0.000 1.051 91 I HN -0.133 nan 8.210 nan 0.000 0.409 92 M N -0.438 119.119 119.600 -0.071 0.000 2.296 92 M HA -0.185 4.295 4.480 -0.000 0.000 0.265 92 M C 2.437 178.720 176.300 -0.028 0.000 1.064 92 M CA 1.448 56.707 55.300 -0.068 0.000 1.109 92 M CB -0.294 32.262 32.600 -0.073 0.000 1.396 92 M HN 0.145 nan 8.290 nan 0.000 0.430 93 R N 0.189 120.686 120.500 -0.005 0.000 2.062 93 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 93 R C 2.208 178.522 176.300 0.023 0.000 1.125 93 R CA 1.310 57.422 56.100 0.020 0.000 0.966 93 R CB -0.184 30.137 30.300 0.034 0.000 0.861 93 R HN 0.327 nan 8.270 nan 0.000 0.433 94 A N 0.924 123.753 122.820 0.015 0.000 1.940 94 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 94 A C 2.165 179.779 177.584 0.050 0.000 1.176 94 A CA 1.581 53.634 52.037 0.026 0.000 0.631 94 A CB -0.437 18.569 19.000 0.010 0.000 0.814 94 A HN 0.328 nan 8.150 nan 0.000 0.446 95 M N -1.516 118.103 119.600 0.032 0.000 2.159 95 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 95 M C 2.088 178.479 176.300 0.153 0.000 1.063 95 M CA 1.313 56.658 55.300 0.075 0.000 1.110 95 M CB -0.269 32.322 32.600 -0.015 0.000 1.374 95 M HN 0.448 nan 8.290 nan 0.000 0.411 96 L N -0.059 121.198 121.223 0.058 0.000 2.217 96 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 96 L C 2.343 179.224 176.870 0.018 0.000 1.107 96 L CA 1.602 56.447 54.840 0.008 0.000 0.783 96 L CB -0.548 41.461 42.059 -0.083 0.000 0.919 96 L HN 0.082 nan 8.230 nan 0.000 0.442 97 R N 0.154 120.681 120.500 0.047 0.000 2.075 97 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 97 R C 2.038 178.363 176.300 0.042 0.000 1.126 97 R CA 1.437 57.562 56.100 0.041 0.000 0.963 97 R CB -0.288 30.039 30.300 0.045 0.000 0.858 97 R HN 0.290 nan 8.270 nan 0.000 0.435 98 R N -0.696 119.868 120.500 0.107 0.000 2.328 98 R HA 0.128 4.468 4.340 -0.000 0.000 0.206 98 R C 0.554 176.850 176.300 -0.007 0.000 0.990 98 R CA 0.649 56.834 56.100 0.141 0.000 1.085 98 R CB 0.105 30.598 30.300 0.320 0.000 0.998 98 R HN 0.542 nan 8.270 nan 0.000 0.484 99 G N 0.307 109.064 108.800 -0.070 0.000 2.175 99 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 99 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 99 G C -0.072 174.625 174.900 -0.339 0.000 0.982 99 G CA -0.508 44.444 45.100 -0.247 0.000 0.641 99 G HN 0.253 nan 8.290 nan 0.000 0.527 100 F N 2.217 122.141 119.950 -0.043 0.000 2.405 100 F HA 0.446 4.973 4.527 0.000 0.000 0.358 100 F C 1.857 177.605 175.800 -0.087 0.000 1.151 100 F CA 0.462 58.435 58.000 -0.046 0.000 1.161 100 F CB 1.305 40.298 39.000 -0.011 0.000 1.245 100 F HN 0.109 nan 8.300 nan 0.000 0.545 101 T N -2.090 112.466 114.554 0.003 0.000 3.057 101 T HA 0.122 4.472 4.350 -0.000 0.000 0.254 101 T C 0.672 175.350 174.700 -0.036 0.000 1.094 101 T CA 0.311 62.367 62.100 -0.073 0.000 1.088 101 T CB -0.021 68.775 68.868 -0.121 0.000 0.934 101 T HN 0.388 nan 8.240 nan 0.000 0.497 102 T N 2.014 116.585 114.554 0.028 0.000 2.900 102 T HA 0.682 5.032 4.350 -0.000 0.000 0.295 102 T C -1.091 173.659 174.700 0.082 0.000 1.044 102 T CA -0.639 61.493 62.100 0.055 0.000 0.995 102 T CB 2.214 71.105 68.868 0.039 0.000 1.072 102 T HN 0.472 nan 8.240 nan 0.000 0.473 103 V N 0.195 120.152 119.914 0.071 0.000 2.932 103 V HA 0.719 4.839 4.120 -0.000 0.000 0.307 103 V C -0.833 175.282 176.094 0.035 0.000 1.147 103 V CA -1.331 60.981 62.300 0.021 0.000 0.951 103 V CB 2.071 33.869 31.823 -0.042 0.000 1.031 103 V HN 0.872 nan 8.190 nan 0.000 0.426 104 R N 2.503 122.989 120.500 -0.023 0.000 2.198 104 R HA 0.326 4.666 4.340 -0.000 0.000 0.339 104 R C -0.601 175.623 176.300 -0.128 0.000 1.020 104 R CA -0.394 55.693 56.100 -0.022 0.000 0.864 104 R CB 0.809 31.080 30.300 -0.049 0.000 1.105 104 R HN 1.023 nan 8.270 nan 0.000 0.463 105 D N 3.515 123.845 120.400 -0.116 0.000 2.317 105 D HA 0.071 4.711 4.640 -0.000 0.000 0.252 105 D C -0.178 175.980 176.300 -0.236 0.000 1.174 105 D CA 0.065 53.943 54.000 -0.204 0.000 0.866 105 D CB 1.563 42.285 40.800 -0.130 0.000 1.127 105 D HN 0.674 nan 8.370 nan 0.000 0.467 106 A N 3.069 125.612 122.820 -0.462 0.000 2.462 106 A HA 0.531 4.851 4.320 -0.000 0.000 0.261 106 A C 0.721 178.280 177.584 -0.041 0.000 1.323 106 A CA 0.284 52.065 52.037 -0.427 0.000 0.913 106 A CB -0.144 18.189 19.000 -1.110 0.000 1.028 106 A HN 0.700 nan 8.150 nan 0.000 0.511 107 G N -2.638 106.210 108.800 0.079 0.000 2.196 107 G HA2 0.538 4.498 3.960 -0.000 0.000 0.215 107 G HA3 0.538 4.498 3.960 -0.000 0.000 0.215 107 G C 0.285 175.256 174.900 0.119 0.000 1.640 107 G CA 0.351 45.521 45.100 0.117 0.000 0.946 107 G HN 1.773 nan 8.290 nan 0.000 0.710 108 G N 0.683 109.513 108.800 0.050 0.000 2.163 108 G HA2 0.421 4.381 3.960 -0.000 0.000 0.207 108 G HA3 0.421 4.381 3.960 -0.000 0.000 0.207 108 G C 1.008 175.951 174.900 0.073 0.000 2.263 108 G CA 1.194 46.317 45.100 0.039 0.000 1.616 108 G HN 2.492 nan 8.290 nan 0.000 0.521 109 A N 1.527 124.378 122.820 0.051 0.000 2.520 109 A HA 0.657 4.977 4.320 -0.000 0.000 0.245 109 A C 0.953 178.639 177.584 0.169 0.000 1.072 109 A CA 1.629 53.749 52.037 0.138 0.000 0.761 109 A CB 0.195 19.126 19.000 -0.114 0.000 1.004 109 A HN 2.009 nan 8.150 nan 0.000 0.499 110 G N -0.359 108.594 108.800 0.255 0.000 2.938 110 G HA2 0.399 4.359 3.960 -0.000 0.000 0.258 110 G HA3 0.399 4.359 3.960 -0.000 0.000 0.258 110 G C 0.533 175.542 174.900 0.181 0.000 1.356 110 G CA -0.147 45.055 45.100 0.170 0.000 1.052 110 G HN 0.694 nan 8.290 nan 0.000 0.550 111 Y N 1.231 121.544 120.300 0.023 0.000 2.139 111 Y HA -0.139 4.411 4.550 -0.000 0.000 0.282 111 Y C 0.069 175.964 175.900 -0.007 0.000 1.179 111 Y CA 2.791 60.889 58.100 -0.003 0.000 1.161 111 Y CB -0.774 37.672 38.460 -0.023 0.000 0.970 111 Y HN 0.304 nan 8.280 nan 0.000 0.511 112 P HA -0.237 nan 4.420 nan 0.000 0.215 112 P C 1.522 178.713 177.300 -0.183 0.000 1.163 112 P CA 2.057 65.088 63.100 -0.114 0.000 0.894 112 P CB -0.333 31.261 31.700 -0.177 0.000 0.791 113 F N 0.207 120.111 119.950 -0.077 0.000 2.161 113 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 113 F C 2.434 178.151 175.800 -0.138 0.000 1.089 113 F CA 1.424 59.373 58.000 -0.085 0.000 1.282 113 F CB -0.899 38.066 39.000 -0.059 0.000 1.010 113 F HN -0.116 nan 8.300 nan 0.000 0.485 114 K N 0.655 121.042 120.400 -0.021 0.000 2.097 114 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 114 K C 1.937 178.387 176.600 -0.250 0.000 1.049 114 K CA 1.795 57.979 56.287 -0.171 0.000 0.933 114 K CB -0.129 32.201 32.500 -0.284 0.000 0.717 114 K HN 0.463 nan 8.250 nan 0.000 0.442 115 Q N -0.581 119.006 119.800 -0.355 0.000 2.187 115 Q HA 0.046 4.386 4.340 -0.000 0.000 0.199 115 Q C 1.992 177.916 176.000 -0.127 0.000 0.957 115 Q CA 0.886 56.519 55.803 -0.283 0.000 0.857 115 Q CB -0.181 28.353 28.738 -0.341 0.000 0.929 115 Q HN 0.252 nan 8.270 nan 0.000 0.453 116 A N 1.303 124.070 122.820 -0.089 0.000 1.940 116 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 116 A C 2.333 179.920 177.584 0.005 0.000 1.176 116 A CA 1.487 53.506 52.037 -0.030 0.000 0.631 116 A CB -0.719 18.276 19.000 -0.008 0.000 0.814 116 A HN 0.233 nan 8.150 nan 0.000 0.446 117 V N -0.024 119.892 119.914 0.004 0.000 2.283 117 V HA -0.161 3.959 4.120 -0.000 0.000 0.243 117 V C 2.548 178.647 176.094 0.009 0.000 1.039 117 V CA 1.953 64.262 62.300 0.015 0.000 1.016 117 V CB -0.664 31.153 31.823 -0.010 0.000 0.650 117 V HN 0.494 nan 8.190 nan 0.000 0.449 118 E N 0.887 121.066 120.200 -0.035 0.000 2.118 118 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 118 E C 2.293 178.899 176.600 0.009 0.000 0.992 118 E CA 1.693 58.080 56.400 -0.022 0.000 0.804 118 E CB -0.448 29.212 29.700 -0.066 0.000 0.741 118 E HN 0.725 nan 8.360 nan 0.000 0.458 119 S N -0.673 115.026 115.700 -0.002 0.000 2.701 119 S HA 0.179 4.649 4.470 -0.000 0.000 0.220 119 S C 1.488 176.107 174.600 0.032 0.000 0.954 119 S CA 0.606 58.813 58.200 0.013 0.000 0.936 119 S CB -0.142 63.057 63.200 -0.003 0.000 0.777 119 S HN 0.284 nan 8.310 nan 0.000 0.518 120 G N 1.032 109.865 108.800 0.054 0.000 2.269 120 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.277 120 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.277 120 G C 0.506 175.440 174.900 0.057 0.000 1.008 120 G CA 0.616 45.763 45.100 0.079 0.000 0.774 120 G HN 0.633 nan 8.290 nan 0.000 0.511 121 L N -0.328 120.918 121.223 0.039 0.000 2.079 121 L HA 0.266 4.606 4.340 -0.000 0.000 0.210 121 L C 1.643 178.541 176.870 0.047 0.000 1.081 121 L CA 2.488 57.346 54.840 0.030 0.000 0.752 121 L CB 0.021 42.086 42.059 0.010 0.000 0.896 121 L HN 0.880 nan 8.230 nan 0.000 0.433 122 V N -4.772 115.181 119.914 0.066 0.000 3.160 122 V HA 0.555 4.675 4.120 -0.000 0.000 0.310 122 V C -0.874 175.289 176.094 0.116 0.000 1.181 122 V CA -1.087 61.264 62.300 0.084 0.000 1.047 122 V CB 1.763 33.639 31.823 0.089 0.000 1.068 122 V HN -0.009 nan 8.190 nan 0.000 0.441 123 E N 1.028 121.304 120.200 0.127 0.000 2.134 123 E HA 0.728 5.078 4.350 -0.000 0.000 0.278 123 E C 0.031 176.671 176.600 0.067 0.000 0.959 123 E CA 0.129 56.635 56.400 0.178 0.000 0.783 123 E CB 1.604 31.447 29.700 0.239 0.000 1.095 123 E HN 1.306 nan 8.360 nan 0.000 0.399 124 G N 3.065 111.852 108.800 -0.020 0.000 2.320 124 G HA2 0.262 4.222 3.960 -0.000 0.000 0.296 124 G HA3 0.262 4.222 3.960 -0.000 0.000 0.296 124 G C -3.138 171.681 174.900 -0.136 0.000 1.306 124 G CA -0.926 44.130 45.100 -0.075 0.000 0.836 124 G HN 0.176 nan 8.290 nan 0.000 0.517 125 P HA 0.252 nan 4.420 nan 0.000 0.269 125 P C 0.202 177.459 177.300 -0.073 0.000 1.209 125 P CA -0.325 62.724 63.100 -0.084 0.000 0.776 125 P CB 0.518 32.206 31.700 -0.021 0.000 0.876 126 R N 2.651 123.108 120.500 -0.072 0.000 2.678 126 R HA 0.059 4.399 4.340 -0.000 0.000 0.264 126 R C -0.723 175.577 176.300 -0.000 0.000 0.995 126 R CA 0.368 56.436 56.100 -0.052 0.000 1.098 126 R CB -0.247 30.029 30.300 -0.040 0.000 0.949 126 R HN 0.464 nan 8.270 nan 0.000 0.422 127 L N 4.991 126.181 121.223 -0.055 0.000 2.349 127 L HA 0.386 4.726 4.340 -0.000 0.000 0.278 127 L C -1.076 175.742 176.870 -0.086 0.000 0.996 127 L CA -0.696 54.130 54.840 -0.023 0.000 0.825 127 L CB 1.452 43.477 42.059 -0.056 0.000 1.243 127 L HN 0.561 nan 8.230 nan 0.000 0.412 128 F N 3.564 123.481 119.950 -0.056 0.000 2.334 128 F HA 0.376 4.903 4.527 -0.000 0.000 0.367 128 F C 0.439 176.209 175.800 -0.051 0.000 1.115 128 F CA -0.750 57.226 58.000 -0.039 0.000 1.116 128 F CB 1.459 40.442 39.000 -0.028 0.000 1.230 128 F HN 0.133 nan 8.300 nan 0.000 0.484 129 V N 0.134 120.082 119.914 0.056 0.000 2.713 129 V HA 0.583 4.703 4.120 -0.000 0.000 0.307 129 V C 0.293 176.395 176.094 0.014 0.000 1.052 129 V CA -0.421 61.897 62.300 0.029 0.000 0.967 129 V CB 1.729 33.574 31.823 0.037 0.000 1.019 129 V HN 0.641 nan 8.190 nan 0.000 0.459 130 S N 1.571 117.267 115.700 -0.006 0.000 2.523 130 S HA 0.515 4.985 4.470 -0.000 0.000 0.217 130 S C 1.090 175.687 174.600 -0.004 0.000 0.996 130 S CA 0.401 58.585 58.200 -0.027 0.000 0.921 130 S CB 0.072 63.245 63.200 -0.046 0.000 0.829 130 S HN 1.962 nan 8.310 nan 0.000 0.495 131 G N 2.454 111.268 108.800 0.023 0.000 2.552 131 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.265 131 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.265 131 G C -0.421 174.495 174.900 0.027 0.000 1.234 131 G CA -0.472 44.649 45.100 0.035 0.000 0.944 131 G HN 0.455 nan 8.290 nan 0.000 0.568 132 R N 0.563 121.076 120.500 0.022 0.000 2.438 132 R HA 0.558 4.898 4.340 -0.000 0.000 0.287 132 R C 0.874 177.185 176.300 0.019 0.000 1.077 132 R CA 0.187 56.297 56.100 0.017 0.000 1.034 132 R CB 0.842 31.150 30.300 0.013 0.000 0.993 132 R HN 1.017 nan 8.270 nan 0.000 0.459 133 A N 3.382 126.215 122.820 0.021 0.000 2.425 133 A HA 0.231 4.551 4.320 -0.000 0.000 0.249 133 A C -0.542 177.075 177.584 0.056 0.000 1.084 133 A CA -0.399 51.662 52.037 0.040 0.000 0.781 133 A CB 0.275 19.301 19.000 0.044 0.000 1.019 133 A HN 0.419 nan 8.150 nan 0.000 0.490 134 L N 1.961 123.245 121.223 0.101 0.000 2.276 134 L HA 0.528 4.868 4.340 -0.000 0.000 0.286 134 L C 0.646 177.665 176.870 0.249 0.000 1.061 134 L CA 0.764 55.709 54.840 0.174 0.000 0.807 134 L CB 1.382 43.548 42.059 0.179 0.000 1.177 134 L HN 0.684 nan 8.230 nan 0.000 0.429 135 S N 2.641 118.440 115.700 0.166 0.000 2.547 135 S HA 0.520 4.990 4.470 -0.000 0.000 0.281 135 S C -0.730 173.766 174.600 -0.174 0.000 1.118 135 S CA -0.886 57.272 58.200 -0.070 0.000 0.947 135 S CB 1.177 64.333 63.200 -0.073 0.000 1.053 135 S HN 0.638 nan 8.310 nan 0.000 0.482 136 Q N 2.453 121.841 119.800 -0.686 0.000 2.492 136 Q HA 0.309 4.649 4.340 -0.000 0.000 0.238 136 Q C -0.256 175.655 176.000 -0.148 0.000 1.045 136 Q CA -0.253 55.316 55.803 -0.390 0.000 0.934 136 Q CB -0.256 28.158 28.738 -0.540 0.000 1.276 136 Q HN 0.511 nan 8.270 nan 0.000 0.521 137 T N 1.488 116.011 114.554 -0.050 0.000 2.891 137 T HA 0.189 4.539 4.350 -0.000 0.000 0.296 137 T C 1.171 175.841 174.700 -0.051 0.000 1.025 137 T CA 1.185 63.264 62.100 -0.034 0.000 1.149 137 T CB -0.206 68.657 68.868 -0.008 0.000 1.007 137 T HN 0.993 nan 8.240 nan 0.000 0.528 138 G N 2.630 111.400 108.800 -0.050 0.000 2.175 138 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.265 138 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.265 138 G C 0.616 175.490 174.900 -0.043 0.000 0.979 138 G CA 0.226 45.300 45.100 -0.044 0.000 0.663 138 G HN 1.156 nan 8.290 nan 0.000 0.533 139 G N -1.575 107.181 108.800 -0.073 0.000 2.631 139 G HA2 0.377 4.337 3.960 -0.000 0.000 0.271 139 G HA3 0.377 4.337 3.960 -0.000 0.000 0.271 139 G C 0.606 175.493 174.900 -0.021 0.000 1.302 139 G CA 0.564 45.620 45.100 -0.072 0.000 1.002 139 G HN 0.664 nan 8.290 nan 0.000 0.519 140 H N -0.931 118.080 119.070 -0.098 0.000 2.524 140 H HA 0.221 4.777 4.556 -0.000 0.000 0.282 140 H C 2.090 177.346 175.328 -0.121 0.000 1.016 140 H CA 1.486 57.469 56.048 -0.109 0.000 1.270 140 H CB 0.134 29.791 29.762 -0.175 0.000 1.394 140 H HN 0.371 nan 8.280 nan 0.000 0.568 141 A N -0.356 122.351 122.820 -0.188 0.000 2.460 141 A HA 0.137 4.457 4.320 -0.000 0.000 0.258 141 A C 0.096 177.596 177.584 -0.140 0.000 1.300 141 A CA -0.029 51.888 52.037 -0.200 0.000 0.913 141 A CB 0.040 18.976 19.000 -0.107 0.000 1.031 141 A HN 0.342 nan 8.150 nan 0.000 0.512 142 D N 0.978 121.301 120.400 -0.127 0.000 2.412 142 D HA 0.289 4.929 4.640 -0.000 0.000 0.224 142 D C -1.874 174.367 176.300 -0.098 0.000 1.093 142 D CA -1.854 52.091 54.000 -0.091 0.000 0.850 142 D CB 1.618 42.375 40.800 -0.072 0.000 1.046 142 D HN 0.107 nan 8.370 nan 0.000 0.507 143 P HA 0.078 nan 4.420 nan 0.000 0.249 143 P C 0.007 177.267 177.300 -0.066 0.000 1.229 143 P CA -0.102 62.948 63.100 -0.083 0.000 0.788 143 P CB 0.381 32.038 31.700 -0.073 0.000 1.072 144 R N 0.690 121.150 120.500 -0.067 0.000 2.442 144 R HA 0.457 4.797 4.340 -0.000 0.000 0.291 144 R C 0.780 177.030 176.300 -0.083 0.000 1.069 144 R CA -0.350 55.704 56.100 -0.075 0.000 1.022 144 R CB 0.527 30.775 30.300 -0.086 0.000 0.976 144 R HN 0.071 nan 8.270 nan 0.000 0.443 145 A N 3.112 125.881 122.820 -0.085 0.000 2.366 145 A HA 0.109 4.429 4.320 -0.000 0.000 0.250 145 A C 0.153 177.669 177.584 -0.113 0.000 1.099 145 A CA -0.236 51.753 52.037 -0.079 0.000 0.794 145 A CB 0.308 19.273 19.000 -0.059 0.000 1.056 145 A HN 0.790 nan 8.150 nan 0.000 0.499 146 R N 0.390 120.838 120.500 -0.087 0.000 2.254 146 R HA 0.523 4.863 4.340 -0.000 0.000 0.318 146 R C -0.241 175.995 176.300 -0.106 0.000 1.031 146 R CA 0.360 56.404 56.100 -0.095 0.000 0.905 146 R CB 0.606 30.872 30.300 -0.056 0.000 1.050 146 R HN 0.779 nan 8.270 nan 0.000 0.456 147 S N 0.759 116.367 115.700 -0.155 0.000 2.873 147 S HA 0.123 4.593 4.470 -0.000 0.000 0.303 147 S C -1.156 173.395 174.600 -0.081 0.000 1.222 147 S CA -0.507 57.619 58.200 -0.123 0.000 0.923 147 S CB 1.032 64.105 63.200 -0.211 0.000 1.286 147 S HN 0.809 nan 8.310 nan 0.000 0.571 148 D N 0.397 120.827 120.400 0.051 0.000 2.427 148 D HA 0.232 4.872 4.640 -0.000 0.000 0.224 148 D C -0.073 176.346 176.300 0.198 0.000 1.157 148 D CA 0.018 54.081 54.000 0.105 0.000 0.828 148 D CB -0.512 40.358 40.800 0.117 0.000 0.974 148 D HN 0.500 nan 8.370 nan 0.000 0.498 149 Y N -3.393 116.907 120.300 -0.000 0.000 2.677 149 Y HA 0.573 5.124 4.550 0.000 0.000 0.334 149 Y C -1.577 174.323 175.900 -0.000 0.000 1.196 149 Y CA -1.542 56.557 58.100 -0.000 0.000 1.059 149 Y CB 1.053 39.513 38.460 -0.000 0.000 1.315 149 Y HN -0.262 nan 8.280 nan 0.000 0.455 150 M N 4.205 123.821 119.600 0.026 0.000 1.999 150 M HA 0.352 4.832 4.480 -0.000 0.000 0.299 150 M C -2.837 173.499 176.300 0.061 0.000 0.900 150 M CA -1.608 53.657 55.300 -0.059 0.000 0.904 150 M CB 0.862 33.452 32.600 -0.017 0.000 1.477 150 M HN 0.596 nan 8.290 nan 0.000 0.403 151 P HA 0.348 nan 4.420 nan 0.000 0.272 151 P C -2.663 174.668 177.300 0.051 0.000 1.240 151 P CA -0.907 62.265 63.100 0.121 0.000 0.791 151 P CB -0.696 31.079 31.700 0.125 0.000 0.978 152 P HA -0.072 nan 4.420 nan 0.000 0.265 152 P C 0.788 178.097 177.300 0.015 0.000 1.187 152 P CA 0.336 63.454 63.100 0.029 0.000 0.766 152 P CB 0.199 31.917 31.700 0.029 0.000 0.820 153 D N 1.985 122.390 120.400 0.009 0.000 2.126 153 D HA -0.147 4.493 4.640 -0.000 0.000 0.190 153 D C 0.014 176.314 176.300 -0.001 0.000 1.001 153 D CA 1.823 55.823 54.000 0.000 0.000 0.841 153 D CB -0.047 40.755 40.800 0.004 0.000 0.949 153 D HN 0.382 nan 8.370 nan 0.000 0.446 154 S N -2.085 113.618 115.700 0.005 0.000 2.547 154 S HA 0.530 5.000 4.470 -0.000 0.000 0.281 154 S C -1.985 172.620 174.600 0.008 0.000 1.118 154 S CA -1.140 57.063 58.200 0.004 0.000 0.947 154 S CB 2.078 65.279 63.200 0.002 0.000 1.053 154 S HN -0.150 nan 8.310 nan 0.000 0.482 155 P HA -0.140 nan 4.420 nan 0.000 0.222 155 P C 0.592 177.897 177.300 0.009 0.000 1.157 155 P CA 1.333 64.439 63.100 0.011 0.000 0.905 155 P CB -0.052 31.654 31.700 0.009 0.000 0.792 156 C N -1.317 117.987 119.300 0.007 0.000 2.571 156 C HA 0.683 5.143 4.460 -0.000 0.000 0.343 156 C C 2.026 177.018 174.990 0.004 0.000 1.082 156 C CA -0.037 58.984 59.018 0.005 0.000 1.339 156 C CB 0.107 27.849 27.740 0.003 0.000 1.893 156 C HN 0.397 nan 8.230 nan 0.000 0.445 157 G N 2.731 111.534 108.800 0.005 0.000 2.440 157 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 157 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 157 G C 1.671 176.572 174.900 0.002 0.000 1.154 157 G CA 1.532 46.634 45.100 0.005 0.000 0.767 157 G HN 1.019 nan 8.290 nan 0.000 0.552 158 C N 0.068 119.369 119.300 0.001 0.000 2.429 158 C HA 0.123 4.583 4.460 -0.000 0.000 0.277 158 C C 1.786 176.775 174.990 -0.003 0.000 1.262 158 C CA 0.199 59.216 59.018 -0.002 0.000 1.733 158 C CB -1.173 26.566 27.740 -0.002 0.000 2.010 158 C HN 0.399 nan 8.230 nan 0.000 0.483 159 C N 1.104 120.402 119.300 -0.002 0.000 2.364 159 C HA 0.612 5.072 4.460 -0.000 0.000 0.356 159 C C 0.167 175.157 174.990 -0.001 0.000 1.201 159 C CA -0.704 58.312 59.018 -0.003 0.000 2.227 159 C CB 0.879 28.617 27.740 -0.004 0.000 2.387 159 C HN 0.380 nan 8.230 nan 0.000 0.546 160 V N 3.711 123.625 119.914 -0.000 0.000 2.481 160 V HA 0.376 4.496 4.120 -0.000 0.000 0.286 160 V C 0.365 176.462 176.094 0.005 0.000 1.042 160 V CA -0.416 61.887 62.300 0.005 0.000 0.928 160 V CB 0.979 32.807 31.823 0.009 0.000 0.986 160 V HN 0.781 nan 8.190 nan 0.000 0.462 161 R N 2.899 123.404 120.500 0.008 0.000 2.357 161 R HA 0.341 4.681 4.340 -0.000 0.000 0.296 161 R C 0.773 177.088 176.300 0.025 0.000 1.052 161 R CA -0.551 55.556 56.100 0.011 0.000 0.988 161 R CB 1.491 31.795 30.300 0.006 0.000 1.025 161 R HN 0.550 nan 8.270 nan 0.000 0.469 162 V N 2.181 122.116 119.914 0.034 0.000 2.343 162 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 162 V C 2.001 178.143 176.094 0.081 0.000 1.051 162 V CA 2.344 64.690 62.300 0.076 0.000 1.036 162 V CB -0.456 31.417 31.823 0.082 0.000 0.654 162 V HN 1.080 nan 8.190 nan 0.000 0.451 163 G N -0.439 108.387 108.800 0.042 0.000 2.848 163 G HA2 0.254 4.214 3.960 -0.000 0.000 0.208 163 G HA3 0.254 4.214 3.960 -0.000 0.000 0.208 163 G C 0.595 175.490 174.900 -0.009 0.000 1.152 163 G CA 0.504 45.614 45.100 0.016 0.000 0.789 163 G HN 0.593 nan 8.290 nan 0.000 0.531 164 A N 0.385 123.204 122.820 -0.002 0.000 2.347 164 A HA 0.603 4.923 4.320 -0.000 0.000 0.287 164 A C 1.146 178.713 177.584 -0.028 0.000 1.199 164 A CA -0.437 51.588 52.037 -0.020 0.000 0.851 164 A CB 0.453 19.447 19.000 -0.009 0.000 1.118 164 A HN 0.214 nan 8.150 nan 0.000 0.525 165 L N 2.546 123.728 121.223 -0.069 0.000 2.375 165 L HA 0.193 4.533 4.340 -0.000 0.000 0.215 165 L C 1.391 178.223 176.870 -0.063 0.000 1.108 165 L CA 0.868 55.654 54.840 -0.091 0.000 0.830 165 L CB -0.258 41.677 42.059 -0.206 0.000 0.959 165 L HN 0.785 nan 8.230 nan 0.000 0.457 166 G N 0.398 109.161 108.800 -0.061 0.000 3.022 166 G HA2 0.688 4.648 3.960 -0.000 0.000 0.284 166 G HA3 0.688 4.648 3.960 -0.000 0.000 0.284 166 G C -1.255 173.634 174.900 -0.018 0.000 1.375 166 G CA -0.611 44.467 45.100 -0.037 0.000 0.902 166 G HN 0.155 nan 8.290 nan 0.000 0.538 167 R N -1.364 119.136 120.500 -0.000 0.000 2.561 167 R HA 0.556 4.896 4.340 -0.000 0.000 0.266 167 R C -1.875 174.444 176.300 0.031 0.000 1.091 167 R CA -0.752 55.354 56.100 0.011 0.000 0.927 167 R CB 1.498 31.809 30.300 0.018 0.000 1.240 167 R HN 0.379 nan 8.270 nan 0.000 0.449 168 V N 1.779 121.708 119.914 0.024 0.000 2.530 168 V HA 0.685 4.805 4.120 -0.000 0.000 0.282 168 V C 0.072 176.212 176.094 0.076 0.000 1.048 168 V CA 0.098 62.422 62.300 0.040 0.000 0.997 168 V CB 1.021 32.852 31.823 0.013 0.000 0.987 168 V HN 0.933 nan 8.190 nan 0.000 0.477 169 A N 4.490 127.397 122.820 0.145 0.000 2.488 169 A HA 0.753 5.073 4.320 -0.000 0.000 0.298 169 A C -1.232 176.494 177.584 0.236 0.000 1.044 169 A CA -0.709 51.417 52.037 0.149 0.000 0.693 169 A CB 1.416 20.485 19.000 0.114 0.000 1.272 169 A HN 0.743 nan 8.150 nan 0.000 0.402 170 D N 0.954 121.444 120.400 0.150 0.000 2.896 170 D HA 0.592 5.232 4.640 -0.000 0.000 0.241 170 D C 0.077 176.432 176.300 0.092 0.000 1.188 170 D CA 0.869 54.969 54.000 0.167 0.000 0.879 170 D CB 1.954 42.823 40.800 0.115 0.000 1.553 170 D HN 1.600 nan 8.370 nan 0.000 0.515 171 G N 0.304 109.154 108.800 0.083 0.000 2.785 171 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 171 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 171 G C 0.855 175.748 174.900 -0.013 0.000 1.155 171 G CA -0.507 44.614 45.100 0.034 0.000 0.760 171 G HN 0.320 nan 8.290 nan 0.000 0.624 172 V N 1.767 121.667 119.914 -0.022 0.000 2.233 172 V HA -0.277 3.843 4.120 -0.000 0.000 0.252 172 V C 2.704 178.773 176.094 -0.041 0.000 1.063 172 V CA 2.997 65.270 62.300 -0.044 0.000 1.032 172 V CB -0.626 31.181 31.823 -0.027 0.000 0.645 172 V HN 0.846 nan 8.190 nan 0.000 0.446 173 D N -0.784 119.603 120.400 -0.022 0.000 2.104 173 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 173 D C 2.235 178.523 176.300 -0.020 0.000 0.994 173 D CA 1.634 55.623 54.000 -0.018 0.000 0.830 173 D CB -0.229 40.567 40.800 -0.008 0.000 0.959 173 D HN 0.618 nan 8.370 nan 0.000 0.452 174 E N 0.123 120.315 120.200 -0.013 0.000 2.051 174 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 174 E C 2.190 178.775 176.600 -0.024 0.000 0.991 174 E CA 1.450 57.846 56.400 -0.007 0.000 0.799 174 E CB 0.177 29.885 29.700 0.014 0.000 0.748 174 E HN 0.216 nan 8.360 nan 0.000 0.449 175 V N -1.017 118.862 119.914 -0.058 0.000 2.515 175 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 175 V C 2.210 178.250 176.094 -0.089 0.000 1.058 175 V CA 1.638 63.871 62.300 -0.111 0.000 1.064 175 V CB -0.649 31.018 31.823 -0.261 0.000 0.675 175 V HN 0.143 nan 8.190 nan 0.000 0.461 176 R N 0.171 120.630 120.500 -0.069 0.000 2.081 176 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 176 R C 2.689 178.965 176.300 -0.038 0.000 1.131 176 R CA 2.013 58.082 56.100 -0.052 0.000 0.960 176 R CB -0.398 29.878 30.300 -0.040 0.000 0.856 176 R HN 0.538 nan 8.270 nan 0.000 0.436 177 R N 0.435 120.916 120.500 -0.030 0.000 2.075 177 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 177 R C 2.175 178.461 176.300 -0.022 0.000 1.126 177 R CA 1.323 57.410 56.100 -0.022 0.000 0.963 177 R CB -0.201 30.090 30.300 -0.015 0.000 0.858 177 R HN 0.200 nan 8.270 nan 0.000 0.435 178 A N 0.264 123.071 122.820 -0.022 0.000 1.892 178 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 178 A C 2.248 179.818 177.584 -0.023 0.000 1.188 178 A CA 1.875 53.903 52.037 -0.016 0.000 0.631 178 A CB -0.759 18.236 19.000 -0.008 0.000 0.822 178 A HN 0.234 nan 8.150 nan 0.000 0.447 179 V N -0.133 119.761 119.914 -0.034 0.000 2.307 179 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 179 V C 2.620 178.693 176.094 -0.035 0.000 1.045 179 V CA 2.228 64.506 62.300 -0.038 0.000 1.024 179 V CB -0.802 30.992 31.823 -0.048 0.000 0.651 179 V HN 0.538 nan 8.190 nan 0.000 0.449 180 R N -0.292 120.188 120.500 -0.033 0.000 2.127 180 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 180 R C 2.250 178.530 176.300 -0.033 0.000 1.134 180 R CA 1.710 57.791 56.100 -0.032 0.000 0.975 180 R CB -0.244 30.040 30.300 -0.028 0.000 0.865 180 R HN 0.633 nan 8.270 nan 0.000 0.447 181 E N 0.135 120.318 120.200 -0.029 0.000 2.046 181 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 181 E C 1.957 178.538 176.600 -0.031 0.000 0.982 181 E CA 0.728 57.111 56.400 -0.028 0.000 0.800 181 E CB 0.144 29.833 29.700 -0.019 0.000 0.756 181 E HN 0.229 nan 8.360 nan 0.000 0.449 182 E N 0.791 120.975 120.200 -0.026 0.000 2.085 182 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 182 E C 2.264 178.841 176.600 -0.037 0.000 0.994 182 E CA 0.798 57.183 56.400 -0.024 0.000 0.801 182 E CB -0.212 29.477 29.700 -0.018 0.000 0.743 182 E HN 0.322 nan 8.360 nan 0.000 0.453 183 L N 0.794 121.990 121.223 -0.044 0.000 2.083 183 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 183 L C 2.682 179.508 176.870 -0.075 0.000 1.083 183 L CA 1.444 56.252 54.840 -0.053 0.000 0.752 183 L CB -0.454 41.577 42.059 -0.046 0.000 0.899 183 L HN 0.163 nan 8.230 nan 0.000 0.433 184 Q N -0.072 119.685 119.800 -0.072 0.000 2.245 184 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 184 Q C 1.899 177.822 176.000 -0.128 0.000 0.955 184 Q CA 1.384 57.132 55.803 -0.091 0.000 0.870 184 Q CB -0.276 28.422 28.738 -0.067 0.000 0.945 184 Q HN 0.418 nan 8.270 nan 0.000 0.461 185 M N -0.353 119.184 119.600 -0.104 0.000 2.659 185 M HA 0.206 4.686 4.480 -0.000 0.000 0.243 185 M C 0.485 176.673 176.300 -0.188 0.000 1.111 185 M CA 0.924 56.154 55.300 -0.115 0.000 1.070 185 M CB 0.340 32.914 32.600 -0.044 0.000 1.525 185 M HN 0.601 nan 8.290 nan 0.000 0.517 186 G N 0.249 108.923 108.800 -0.209 0.000 2.154 186 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.186 186 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.186 186 G C 0.165 175.079 174.900 0.024 0.000 1.000 186 G CA -0.183 44.764 45.100 -0.256 0.000 0.664 186 G HN 0.656 nan 8.290 nan 0.000 0.513 187 A N 0.151 122.976 122.820 0.008 0.000 2.555 187 A HA 0.464 4.784 4.320 -0.000 0.000 0.233 187 A C 1.214 178.802 177.584 0.007 0.000 1.060 187 A CA 1.133 53.181 52.037 0.019 0.000 0.759 187 A CB 0.280 19.272 19.000 -0.013 0.000 0.995 187 A HN 0.259 nan 8.150 nan 0.000 0.506 188 D N -0.394 120.011 120.400 0.009 0.000 2.301 188 D HA 0.026 4.666 4.640 -0.000 0.000 0.206 188 D C 0.688 176.960 176.300 -0.047 0.000 0.979 188 D CA 0.967 54.981 54.000 0.023 0.000 0.874 188 D CB 0.358 41.210 40.800 0.086 0.000 0.968 188 D HN 0.763 nan 8.370 nan 0.000 0.510 189 Q N -0.041 119.675 119.800 -0.139 0.000 2.685 189 Q HA 0.335 4.675 4.340 -0.000 0.000 0.301 189 Q C -1.388 174.456 176.000 -0.261 0.000 0.924 189 Q CA -0.686 54.895 55.803 -0.371 0.000 0.755 189 Q CB 1.747 30.014 28.738 -0.785 0.000 1.470 189 Q HN -0.172 nan 8.270 nan 0.000 0.434 193 M N 3.961 123.674 119.600 0.188 0.000 2.094 193 M HA 0.428 4.908 4.480 -0.000 0.000 0.348 193 M C 0.659 177.046 176.300 0.145 0.000 1.267 193 M CA -0.198 55.199 55.300 0.162 0.000 1.125 193 M CB 0.552 33.197 32.600 0.075 0.000 1.527 193 M HN 0.879 nan 8.290 nan 0.000 0.447 194 A N 2.261 125.183 122.820 0.171 0.000 2.379 194 A HA 0.398 4.718 4.320 -0.000 0.000 0.236 194 A C 0.742 178.383 177.584 0.094 0.000 1.272 194 A CA 0.100 52.202 52.037 0.108 0.000 0.886 194 A CB 0.233 19.265 19.000 0.054 0.000 0.962 194 A HN 0.712 nan 8.150 nan 0.000 0.504 195 S N -2.182 113.623 115.700 0.174 0.000 2.611 195 S HA 0.549 5.019 4.470 -0.000 0.000 0.268 195 S C 0.238 174.983 174.600 0.242 0.000 1.156 195 S CA 0.032 58.358 58.200 0.210 0.000 0.817 195 S CB 0.389 63.698 63.200 0.181 0.000 1.122 195 S HN 0.993 nan 8.310 nan 0.000 0.466 196 G N 0.340 109.270 108.800 0.217 0.000 2.699 196 G HA2 0.517 4.477 3.960 -0.000 0.000 0.246 196 G HA3 0.517 4.477 3.960 -0.000 0.000 0.246 196 G C 0.463 175.479 174.900 0.193 0.000 1.219 196 G CA 0.209 45.415 45.100 0.178 0.000 0.866 196 G HN 1.115 nan 8.290 nan 0.000 0.572 197 G N -2.168 106.663 108.800 0.052 0.000 3.176 197 G HA2 0.505 4.465 3.960 -0.000 0.000 0.272 197 G HA3 0.505 4.465 3.960 -0.000 0.000 0.272 197 G C 0.162 175.101 174.900 0.065 0.000 1.349 197 G CA 0.312 45.253 45.100 -0.264 0.000 0.953 197 G HN 0.712 nan 8.290 nan 0.000 0.559 198 V N -0.045 119.966 119.914 0.163 0.000 2.950 198 V HA 0.297 4.417 4.120 -0.000 0.000 0.231 198 V C 2.411 178.640 176.094 0.225 0.000 1.205 198 V CA 1.161 63.558 62.300 0.162 0.000 1.239 198 V CB -0.085 31.814 31.823 0.127 0.000 1.050 198 V HN 0.824 nan 8.190 nan 0.000 0.498 199 A N 1.606 124.608 122.820 0.302 0.000 2.233 199 A HA 0.403 4.723 4.320 -0.000 0.000 0.230 199 A C 0.787 178.415 177.584 0.073 0.000 1.347 199 A CA 0.801 52.944 52.037 0.175 0.000 1.087 199 A CB -0.967 18.115 19.000 0.135 0.000 0.871 199 A HN 0.653 nan 8.150 nan 0.000 0.519 200 S N -2.174 113.585 115.700 0.099 0.000 2.595 200 S HA 0.694 5.164 4.470 -0.000 0.000 0.281 200 S C -2.256 172.355 174.600 0.018 0.000 1.117 200 S CA -1.110 57.071 58.200 -0.031 0.000 0.873 200 S CB 2.067 65.159 63.200 -0.179 0.000 1.108 200 S HN 0.017 nan 8.310 nan 0.000 0.477 201 P HA 0.033 nan 4.420 nan 0.000 0.213 201 P C 1.031 178.331 177.300 0.001 0.000 1.170 201 P CA 1.597 64.691 63.100 -0.010 0.000 0.889 201 P CB -0.280 31.402 31.700 -0.031 0.000 0.782 202 T N -0.563 113.989 114.554 -0.003 0.000 3.014 202 T HA 0.053 4.403 4.350 -0.000 0.000 0.250 202 T C 0.283 174.990 174.700 0.012 0.000 1.060 202 T CA 0.061 62.159 62.100 -0.005 0.000 1.040 202 T CB -0.289 68.564 68.868 -0.024 0.000 0.971 202 T HN 0.278 nan 8.240 nan 0.000 0.497 203 D N 2.227 122.651 120.400 0.040 0.000 2.193 203 D HA 0.342 4.982 4.640 -0.000 0.000 0.244 203 D C -3.110 173.228 176.300 0.062 0.000 1.064 203 D CA -2.334 51.700 54.000 0.056 0.000 0.845 203 D CB 1.707 42.561 40.800 0.090 0.000 1.148 203 D HN 0.034 nan 8.370 nan 0.000 0.464 204 P HA 0.034 nan 4.420 nan 0.000 0.274 204 P C 1.146 178.473 177.300 0.045 0.000 1.246 204 P CA -0.613 62.503 63.100 0.027 0.000 0.795 204 P CB 1.008 32.714 31.700 0.010 0.000 1.006 205 V N 1.323 121.245 119.914 0.013 0.000 2.358 205 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 205 V C 2.210 178.356 176.094 0.087 0.000 1.047 205 V CA 2.695 65.003 62.300 0.013 0.000 1.035 205 V CB -1.500 30.243 31.823 -0.133 0.000 0.658 205 V HN 0.831 nan 8.190 nan 0.000 0.452 206 G N -0.592 108.244 108.800 0.060 0.000 2.985 206 G HA2 0.127 4.087 3.960 -0.000 0.000 0.209 206 G HA3 0.127 4.087 3.960 -0.000 0.000 0.209 206 G C 0.489 175.466 174.900 0.130 0.000 1.165 206 G CA 0.011 45.169 45.100 0.097 0.000 0.776 206 G HN 0.330 nan 8.290 nan 0.000 0.541 207 V N 1.978 121.960 119.914 0.114 0.000 2.637 207 V HA 0.191 4.311 4.120 -0.000 0.000 0.296 207 V C 0.278 176.551 176.094 0.298 0.000 1.046 207 V CA -0.823 61.546 62.300 0.114 0.000 1.066 207 V CB 0.502 32.367 31.823 0.070 0.000 0.968 207 V HN 0.090 nan 8.190 nan 0.000 0.483 208 F N 2.697 122.666 119.950 0.032 0.000 2.518 208 F HA 0.500 5.027 4.527 -0.000 0.000 0.359 208 F C 0.994 176.806 175.800 0.019 0.000 1.118 208 F CA -0.568 57.453 58.000 0.036 0.000 1.287 208 F CB 0.531 39.553 39.000 0.035 0.000 1.132 208 F HN 0.543 nan 8.300 nan 0.000 0.587 209 G N 2.175 111.076 108.800 0.169 0.000 2.415 209 G HA2 0.498 4.458 3.960 -0.000 0.000 0.327 209 G HA3 0.498 4.458 3.960 -0.000 0.000 0.327 209 G C -1.647 173.291 174.900 0.064 0.000 1.182 209 G CA -0.516 44.595 45.100 0.018 0.000 0.924 209 G HN 0.628 nan 8.290 nan 0.000 0.470 210 Y N -0.472 119.877 120.300 0.082 0.000 2.509 210 Y HA -0.274 4.276 4.550 -0.000 0.000 0.025 210 Y C 1.318 177.253 175.900 0.058 0.000 1.704 210 Y CA 0.523 58.656 58.100 0.056 0.000 1.417 210 Y CB -0.383 38.096 38.460 0.032 0.000 2.062 210 Y HN 0.944 nan 8.280 nan 0.000 0.254 211 S N 0.581 116.436 115.700 0.258 0.000 2.672 211 S HA 0.298 4.768 4.470 -0.000 0.000 0.276 211 S C 0.679 175.332 174.600 0.089 0.000 1.207 211 S CA -0.319 57.971 58.200 0.151 0.000 1.002 211 S CB 1.756 65.030 63.200 0.123 0.000 0.998 211 S HN 0.673 nan 8.310 nan 0.000 0.542 212 E N 0.705 120.937 120.200 0.053 0.000 2.097 212 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 212 E C 1.051 177.655 176.600 0.007 0.000 1.000 212 E CA 1.531 57.941 56.400 0.017 0.000 0.804 212 E CB -0.296 29.412 29.700 0.013 0.000 0.740 212 E HN 0.638 nan 8.360 nan 0.000 0.454 213 D N 0.871 121.280 120.400 0.015 0.000 2.116 213 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 213 D C 1.812 178.093 176.300 -0.032 0.000 0.998 213 D CA 1.195 55.194 54.000 -0.001 0.000 0.836 213 D CB -0.149 40.657 40.800 0.010 0.000 0.951 213 D HN 0.265 nan 8.370 nan 0.000 0.449 214 E N -0.102 120.071 120.200 -0.045 0.000 2.072 214 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 214 E C 2.372 178.864 176.600 -0.180 0.000 0.985 214 E CA 0.415 56.723 56.400 -0.153 0.000 0.801 214 E CB 0.021 29.578 29.700 -0.238 0.000 0.750 214 E HN 0.304 nan 8.360 nan 0.000 0.452 215 I N 0.721 121.235 120.570 -0.093 0.000 2.179 215 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 215 I C 2.474 178.557 176.117 -0.058 0.000 1.088 215 I CA 1.160 62.420 61.300 -0.066 0.000 1.357 215 I CB -0.268 37.723 38.000 -0.014 0.000 1.051 215 I HN 0.040 nan 8.210 nan 0.000 0.409 216 R N 0.715 121.190 120.500 -0.042 0.000 2.081 216 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 216 R C 2.452 178.730 176.300 -0.036 0.000 1.131 216 R CA 1.537 57.619 56.100 -0.029 0.000 0.960 216 R CB -0.417 29.873 30.300 -0.017 0.000 0.856 216 R HN 0.377 nan 8.270 nan 0.000 0.436 217 A N 1.009 123.797 122.820 -0.053 0.000 1.930 217 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 217 A C 2.111 179.656 177.584 -0.065 0.000 1.175 217 A CA 1.029 53.033 52.037 -0.054 0.000 0.627 217 A CB -0.381 18.581 19.000 -0.063 0.000 0.815 217 A HN 0.168 nan 8.150 nan 0.000 0.443 218 I N -0.452 120.062 120.570 -0.093 0.000 2.179 218 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 218 I C 2.334 178.421 176.117 -0.050 0.000 1.088 218 I CA 1.230 62.475 61.300 -0.090 0.000 1.357 218 I CB -0.356 37.566 38.000 -0.130 0.000 1.051 218 I HN 0.148 nan 8.210 nan 0.000 0.409 219 V N 1.017 120.910 119.914 -0.034 0.000 2.343 219 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 219 V C 2.684 178.778 176.094 -0.001 0.000 1.051 219 V CA 1.966 64.262 62.300 -0.007 0.000 1.036 219 V CB -1.001 30.825 31.823 0.004 0.000 0.654 219 V HN 0.503 nan 8.190 nan 0.000 0.451 220 A N -0.649 122.165 122.820 -0.009 0.000 1.972 220 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 220 A C 2.199 179.778 177.584 -0.008 0.000 1.169 220 A CA 1.457 53.492 52.037 -0.004 0.000 0.635 220 A CB -0.335 18.660 19.000 -0.007 0.000 0.810 220 A HN 0.510 nan 8.150 nan 0.000 0.446 221 E N 0.028 120.217 120.200 -0.020 0.000 2.072 221 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 221 E C 2.381 178.970 176.600 -0.018 0.000 0.985 221 E CA 1.239 57.625 56.400 -0.023 0.000 0.801 221 E CB -0.650 29.029 29.700 -0.035 0.000 0.750 221 E HN 0.557 nan 8.360 nan 0.000 0.452 222 A N 1.360 124.168 122.820 -0.020 0.000 1.902 222 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 222 A C 2.133 179.722 177.584 0.009 0.000 1.181 222 A CA 1.546 53.572 52.037 -0.019 0.000 0.623 222 A CB -0.509 18.472 19.000 -0.031 0.000 0.818 222 A HN 0.225 nan 8.150 nan 0.000 0.443 223 Q N -0.871 118.943 119.800 0.022 0.000 2.119 223 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 223 Q C 2.146 178.162 176.000 0.026 0.000 0.972 223 Q CA 0.950 56.776 55.803 0.037 0.000 0.847 223 Q CB -0.436 28.326 28.738 0.039 0.000 0.903 223 Q HN 0.684 nan 8.270 nan 0.000 0.433 224 G N 0.952 109.760 108.800 0.013 0.000 2.479 224 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 224 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 224 G C 1.392 176.298 174.900 0.009 0.000 1.115 224 G CA 0.351 45.456 45.100 0.009 0.000 0.757 224 G HN 0.152 nan 8.290 nan 0.000 0.560 225 R N -0.224 120.282 120.500 0.009 0.000 2.468 225 R HA 0.274 4.614 4.340 -0.000 0.000 0.280 225 R C 1.315 177.630 176.300 0.025 0.000 0.963 225 R CA 0.554 56.660 56.100 0.009 0.000 1.083 225 R CB 0.010 30.307 30.300 -0.004 0.000 1.200 225 R HN 0.310 nan 8.270 nan 0.000 0.541 226 G N 1.061 109.883 108.800 0.037 0.000 2.182 226 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 226 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 226 G C -0.021 174.930 174.900 0.084 0.000 1.042 226 G CA 0.856 45.990 45.100 0.058 0.000 0.775 226 G HN 0.421 nan 8.290 nan 0.000 0.501 227 T N -1.374 113.227 114.554 0.078 0.000 2.676 227 T HA 0.816 5.166 4.350 -0.000 0.000 0.269 227 T C -0.479 174.309 174.700 0.147 0.000 0.952 227 T CA 0.201 62.366 62.100 0.108 0.000 1.040 227 T CB 1.282 70.145 68.868 -0.007 0.000 1.352 227 T HN 1.197 nan 8.240 nan 0.000 0.554 228 Y N -1.623 118.685 120.300 0.014 0.000 2.715 228 Y HA 0.844 5.394 4.550 0.000 0.000 0.331 228 Y C -1.628 174.274 175.900 0.003 0.000 1.197 228 Y CA -1.218 56.886 58.100 0.007 0.000 1.079 228 Y CB 0.634 39.095 38.460 0.001 0.000 1.298 228 Y HN 0.337 nan 8.280 nan 0.000 0.477 229 V N 2.700 122.715 119.914 0.168 0.000 2.604 229 V HA 0.555 4.675 4.120 -0.000 0.000 0.305 229 V C -0.488 175.725 176.094 0.198 0.000 1.043 229 V CA -0.908 61.425 62.300 0.056 0.000 0.888 229 V CB 1.484 33.332 31.823 0.042 0.000 0.995 229 V HN 0.803 nan 8.190 nan 0.000 0.429 230 L N 2.150 123.436 121.223 0.104 0.000 2.329 230 L HA 1.071 5.411 4.340 -0.000 0.000 0.279 230 L C -0.208 176.712 176.870 0.083 0.000 1.014 230 L CA -0.636 54.280 54.840 0.127 0.000 0.814 230 L CB 1.815 43.952 42.059 0.129 0.000 1.257 230 L HN 0.634 nan 8.230 nan 0.000 0.424 231 A N 0.997 123.859 122.820 0.070 0.000 2.343 231 A HA 0.449 4.769 4.320 -0.000 0.000 0.308 231 A C -0.861 176.764 177.584 0.069 0.000 1.092 231 A CA -0.595 51.490 52.037 0.081 0.000 0.751 231 A CB 0.490 19.524 19.000 0.057 0.000 1.203 231 A HN 0.925 nan 8.150 nan 0.000 0.452 232 H N 1.975 121.067 119.070 0.038 0.000 3.107 232 H HA 0.398 4.954 4.556 0.000 0.000 0.301 232 H C 0.082 175.376 175.328 -0.057 0.000 0.981 232 H CA 1.518 57.585 56.048 0.032 0.000 1.443 232 H CB 0.278 30.115 29.762 0.126 0.000 1.479 232 H HN 0.981 nan 8.280 nan 0.000 0.564 233 A N 5.024 127.569 122.820 -0.458 0.000 2.532 233 A HA 0.326 4.646 4.320 -0.000 0.000 0.296 233 A C -1.366 175.952 177.584 -0.444 0.000 1.058 233 A CA -0.721 51.109 52.037 -0.345 0.000 0.729 233 A CB 0.348 19.264 19.000 -0.140 0.000 1.285 233 A HN 0.680 nan 8.150 nan 0.000 0.396 234 Y N 1.030 121.254 120.300 -0.127 0.000 2.506 234 Y HA 0.173 4.723 4.550 -0.000 0.000 0.287 234 Y C 1.963 177.827 175.900 -0.060 0.000 1.147 234 Y CA 1.389 59.424 58.100 -0.108 0.000 1.241 234 Y CB 0.146 38.532 38.460 -0.124 0.000 1.279 234 Y HN 0.746 nan 8.280 nan 0.000 0.527 235 T N -1.699 112.939 114.554 0.141 0.000 2.918 235 T HA 0.238 4.588 4.350 -0.000 0.000 0.283 235 T C -2.073 172.661 174.700 0.057 0.000 1.001 235 T CA -2.142 60.016 62.100 0.095 0.000 1.041 235 T CB 1.878 70.815 68.868 0.116 0.000 1.028 235 T HN -0.201 nan 8.240 nan 0.000 0.511 236 P HA -0.065 nan 4.420 nan 0.000 0.215 236 P C 1.674 178.991 177.300 0.028 0.000 1.153 236 P CA 1.586 64.701 63.100 0.024 0.000 0.853 236 P CB -0.297 31.419 31.700 0.026 0.000 0.788 237 A N 0.119 122.987 122.820 0.080 0.000 1.858 237 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 237 A C 2.383 179.941 177.584 -0.044 0.000 1.190 237 A CA 2.405 54.508 52.037 0.110 0.000 0.617 237 A CB -1.692 17.495 19.000 0.311 0.000 0.827 237 A HN 0.189 nan 8.150 nan 0.000 0.443 238 A N -0.071 122.734 122.820 -0.025 0.000 1.883 238 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 238 A C 2.143 179.620 177.584 -0.179 0.000 1.186 238 A CA 1.665 53.569 52.037 -0.222 0.000 0.624 238 A CB -0.692 18.303 19.000 -0.009 0.000 0.822 238 A HN 0.524 nan 8.150 nan 0.000 0.444 239 I N -0.370 120.146 120.570 -0.090 0.000 2.226 239 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 239 I C 2.961 179.016 176.117 -0.103 0.000 1.100 239 I CA 1.063 62.311 61.300 -0.087 0.000 1.374 239 I CB -0.421 37.544 38.000 -0.058 0.000 1.057 239 I HN 0.365 nan 8.210 nan 0.000 0.413 240 A N 1.883 124.649 122.820 -0.091 0.000 1.902 240 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 240 A C 2.427 179.939 177.584 -0.121 0.000 1.181 240 A CA 1.758 53.743 52.037 -0.087 0.000 0.623 240 A CB -0.629 18.345 19.000 -0.043 0.000 0.818 240 A HN 0.512 nan 8.150 nan 0.000 0.443 241 R N -0.504 119.901 120.500 -0.159 0.000 2.092 241 R HA 0.106 4.446 4.340 -0.000 0.000 0.231 241 R C 2.166 178.378 176.300 -0.148 0.000 1.119 241 R CA 1.336 57.335 56.100 -0.168 0.000 0.970 241 R CB -0.688 29.453 30.300 -0.265 0.000 0.864 241 R HN 0.293 nan 8.270 nan 0.000 0.440 242 A N 1.570 124.301 122.820 -0.148 0.000 1.902 242 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 242 A C 2.406 179.922 177.584 -0.114 0.000 1.181 242 A CA 1.554 53.529 52.037 -0.104 0.000 0.623 242 A CB -0.472 18.480 19.000 -0.079 0.000 0.818 242 A HN 0.176 nan 8.150 nan 0.000 0.443 243 V N -0.214 119.604 119.914 -0.160 0.000 2.358 243 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 243 V C 2.577 178.454 176.094 -0.361 0.000 1.047 243 V CA 2.028 64.176 62.300 -0.253 0.000 1.035 243 V CB -0.781 30.863 31.823 -0.299 0.000 0.658 243 V HN 0.505 nan 8.190 nan 0.000 0.452 244 R N -0.801 119.532 120.500 -0.278 0.000 2.120 244 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 244 R C 2.012 178.257 176.300 -0.092 0.000 1.123 244 R CA 1.699 57.688 56.100 -0.185 0.000 0.975 244 R CB -0.490 29.758 30.300 -0.086 0.000 0.866 244 R HN 0.447 nan 8.270 nan 0.000 0.446 245 C N -0.430 118.819 119.300 -0.085 0.000 2.626 245 C HA 0.249 4.709 4.460 -0.000 0.000 0.266 245 C C 1.425 176.397 174.990 -0.030 0.000 1.317 245 C CA 0.493 59.485 59.018 -0.044 0.000 1.716 245 C CB -0.505 27.211 27.740 -0.041 0.000 1.819 245 C HN 0.816 nan 8.230 nan 0.000 0.578 246 G N -0.052 108.722 108.800 -0.042 0.000 2.163 246 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.213 246 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.213 246 G C 0.083 174.989 174.900 0.011 0.000 0.991 246 G CA 0.074 45.172 45.100 -0.004 0.000 0.653 246 G HN 0.306 nan 8.290 nan 0.000 0.518 247 V N 0.840 120.748 119.914 -0.010 0.000 2.715 247 V HA 0.380 4.500 4.120 -0.000 0.000 0.299 247 V C 1.678 177.798 176.094 0.043 0.000 1.054 247 V CA 1.128 63.444 62.300 0.027 0.000 1.077 247 V CB 1.470 33.299 31.823 0.011 0.000 0.972 247 V HN 0.484 nan 8.190 nan 0.000 0.484 248 R N 2.288 122.850 120.500 0.103 0.000 2.103 248 R HA 0.079 4.419 4.340 -0.000 0.000 0.212 248 R C 0.814 177.175 176.300 0.102 0.000 1.107 248 R CA 0.935 57.092 56.100 0.094 0.000 1.025 248 R CB 0.340 30.672 30.300 0.055 0.000 0.929 248 R HN 0.850 nan 8.270 nan 0.000 0.456 249 T N -0.930 113.682 114.554 0.096 0.000 2.888 249 T HA 0.513 4.863 4.350 -0.000 0.000 0.284 249 T C -0.169 174.560 174.700 0.047 0.000 1.017 249 T CA -0.864 61.279 62.100 0.073 0.000 1.022 249 T CB 1.785 70.663 68.868 0.017 0.000 1.013 249 T HN -0.076 nan 8.240 nan 0.000 0.465 250 I N 2.812 123.388 120.570 0.010 0.000 2.382 250 I HA 0.352 4.522 4.170 -0.000 0.000 0.286 250 I C -0.003 176.050 176.117 -0.108 0.000 1.002 250 I CA -0.778 60.494 61.300 -0.046 0.000 1.135 250 I CB 1.613 39.580 38.000 -0.055 0.000 1.288 250 I HN 0.743 nan 8.210 nan 0.000 0.448 251 E N 6.773 126.864 120.200 -0.182 0.000 2.249 251 E HA 0.321 4.671 4.350 -0.000 0.000 0.280 251 E C 0.343 176.588 176.600 -0.592 0.000 1.016 251 E CA -0.248 55.902 56.400 -0.417 0.000 0.830 251 E CB 1.194 30.638 29.700 -0.427 0.000 1.081 251 E HN 0.536 nan 8.360 nan 0.000 0.395 252 H N 2.081 121.003 119.070 -0.247 0.000 4.733 252 H HA -0.232 4.324 4.556 -0.000 0.000 0.059 252 H C 1.143 176.376 175.328 -0.158 0.000 0.616 252 H CA 1.211 57.123 56.048 -0.227 0.000 0.914 252 H CB -1.480 27.989 29.762 -0.488 0.000 0.432 252 H HN 0.813 nan 8.280 nan 0.000 0.812 253 G N 2.142 110.885 108.800 -0.096 0.000 2.258 253 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.274 253 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.274 253 G C 0.832 175.748 174.900 0.027 0.000 1.021 253 G CA 1.470 46.540 45.100 -0.051 0.000 0.798 253 G HN 0.659 nan 8.290 nan 0.000 0.507 254 N N -0.412 118.364 118.700 0.127 0.000 2.094 254 N HA -0.066 4.674 4.740 -0.000 0.000 0.191 254 N C 1.849 177.370 175.510 0.019 0.000 1.023 254 N CA 1.548 54.639 53.050 0.069 0.000 0.857 254 N CB -0.149 38.351 38.487 0.022 0.000 1.013 254 N HN 0.555 nan 8.380 nan 0.000 0.426 255 L N 0.251 121.505 121.223 0.051 0.000 2.818 255 L HA 0.325 4.665 4.340 -0.000 0.000 0.243 255 L C 0.196 177.069 176.870 0.004 0.000 1.185 255 L CA -0.425 54.422 54.840 0.011 0.000 0.988 255 L CB 0.162 42.228 42.059 0.012 0.000 1.292 255 L HN 0.200 nan 8.230 nan 0.000 0.519 256 I N 1.373 121.938 120.570 -0.008 0.000 2.752 256 I HA -0.077 4.093 4.170 -0.000 0.000 0.287 256 I C 0.148 176.240 176.117 -0.043 0.000 1.188 256 I CA 0.086 61.371 61.300 -0.025 0.000 1.427 256 I CB 0.584 38.561 38.000 -0.039 0.000 1.365 256 I HN 0.257 nan 8.210 nan 0.000 0.585 257 D N 4.593 124.973 120.400 -0.033 0.000 2.506 257 D HA 0.177 4.817 4.640 -0.000 0.000 0.254 257 D C 0.279 176.555 176.300 -0.041 0.000 1.089 257 D CA -0.497 53.480 54.000 -0.037 0.000 1.050 257 D CB 0.585 41.377 40.800 -0.012 0.000 1.221 257 D HN 0.412 nan 8.370 nan 0.000 0.589 258 D N -0.476 119.903 120.400 -0.036 0.000 2.117 258 D HA -0.179 4.460 4.640 -0.000 0.000 0.197 258 D C 1.434 177.722 176.300 -0.019 0.000 0.987 258 D CA 1.036 55.017 54.000 -0.032 0.000 0.829 258 D CB 0.147 40.935 40.800 -0.021 0.000 0.961 258 D HN 0.686 nan 8.370 nan 0.000 0.460 259 E N 0.320 120.514 120.200 -0.010 0.000 2.077 259 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 259 E C 1.573 178.172 176.600 -0.002 0.000 0.989 259 E CA 1.296 57.695 56.400 -0.002 0.000 0.800 259 E CB 0.203 29.906 29.700 0.004 0.000 0.746 259 E HN 0.156 nan 8.360 nan 0.000 0.452 260 T N 0.510 115.059 114.554 -0.008 0.000 2.851 260 T HA 0.047 4.397 4.350 -0.000 0.000 0.262 260 T C 1.960 176.650 174.700 -0.017 0.000 1.043 260 T CA 0.936 63.030 62.100 -0.011 0.000 1.140 260 T CB -0.249 68.609 68.868 -0.016 0.000 0.872 260 T HN 0.303 nan 8.240 nan 0.000 0.446 261 A N 2.126 124.930 122.820 -0.027 0.000 1.958 261 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 261 A C 2.397 179.966 177.584 -0.025 0.000 1.178 261 A CA 1.608 53.625 52.037 -0.034 0.000 0.642 261 A CB -0.539 18.434 19.000 -0.046 0.000 0.816 261 A HN 0.398 nan 8.150 nan 0.000 0.453 262 R N -1.562 118.928 120.500 -0.016 0.000 2.090 262 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 262 R C 2.129 178.433 176.300 0.008 0.000 1.110 262 R CA 1.171 57.264 56.100 -0.011 0.000 0.973 262 R CB -0.472 29.823 30.300 -0.009 0.000 0.869 262 R HN 0.497 nan 8.270 nan 0.000 0.440 263 L N 0.882 122.121 121.223 0.026 0.000 2.017 263 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 263 L C 2.052 178.997 176.870 0.125 0.000 1.073 263 L CA 1.601 56.493 54.840 0.086 0.000 0.745 263 L CB -0.446 41.651 42.059 0.064 0.000 0.894 263 L HN -0.106 nan 8.230 nan 0.000 0.432 264 V N 0.186 120.121 119.914 0.036 0.000 2.255 264 V HA -0.343 3.777 4.120 -0.000 0.000 0.247 264 V C 2.821 178.916 176.094 0.002 0.000 1.051 264 V CA 1.852 64.157 62.300 0.008 0.000 1.018 264 V CB -1.424 30.380 31.823 -0.032 0.000 0.641 264 V HN 0.633 nan 8.190 nan 0.000 0.445 265 A N -0.431 122.374 122.820 -0.025 0.000 1.908 265 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 265 A C 2.307 179.864 177.584 -0.045 0.000 1.181 265 A CA 2.123 54.126 52.037 -0.057 0.000 0.627 265 A CB -0.599 18.369 19.000 -0.054 0.000 0.818 265 A HN 0.673 nan 8.150 nan 0.000 0.445 266 E N -1.259 118.931 120.200 -0.017 0.000 2.204 266 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 266 E C 1.484 178.016 176.600 -0.112 0.000 0.990 266 E CA 1.282 57.647 56.400 -0.060 0.000 0.821 266 E CB -0.160 29.507 29.700 -0.055 0.000 0.750 266 E HN 0.812 nan 8.360 nan 0.000 0.477 267 H N -1.362 117.672 119.070 -0.059 0.000 2.551 267 H HA 0.204 4.760 4.556 -0.000 0.000 0.266 267 H C 1.064 176.349 175.328 -0.073 0.000 0.964 267 H CA 0.862 56.879 56.048 -0.052 0.000 1.180 267 H CB 0.952 30.690 29.762 -0.039 0.000 1.408 267 H HN 0.353 nan 8.280 nan 0.000 0.563 268 G N -0.016 108.772 108.800 -0.020 0.000 2.147 268 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 268 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 268 G C 0.425 175.201 174.900 -0.207 0.000 1.005 268 G CA 0.268 45.291 45.100 -0.128 0.000 0.713 268 G HN 0.675 nan 8.290 nan 0.000 0.515 269 A N -0.955 121.792 122.820 -0.123 0.000 2.240 269 A HA 0.892 5.212 4.320 -0.000 0.000 0.292 269 A C -0.154 177.299 177.584 -0.218 0.000 1.121 269 A CA -0.480 51.515 52.037 -0.069 0.000 0.851 269 A CB 0.763 19.775 19.000 0.019 0.000 1.167 269 A HN 0.752 nan 8.150 nan 0.000 0.503 270 Y N -1.695 118.566 120.300 -0.065 0.000 2.562 270 Y HA 0.557 5.107 4.550 -0.000 0.000 0.343 270 Y C -0.082 175.778 175.900 -0.066 0.000 1.025 270 Y CA -1.064 56.995 58.100 -0.067 0.000 1.082 270 Y CB 2.107 40.515 38.460 -0.087 0.000 1.264 270 Y HN 0.365 nan 8.280 nan 0.000 0.478 271 V N 2.270 122.242 119.914 0.096 0.000 2.628 271 V HA 0.440 4.560 4.120 -0.000 0.000 0.306 271 V C -0.761 175.336 176.094 0.004 0.000 1.045 271 V CA -0.952 61.359 62.300 0.019 0.000 0.905 271 V CB 1.831 33.643 31.823 -0.019 0.000 0.997 271 V HN 0.524 nan 8.190 nan 0.000 0.436 272 V N 6.087 125.967 119.914 -0.056 0.000 2.266 272 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 272 V C -2.342 173.658 176.094 -0.155 0.000 1.032 272 V CA -1.681 60.562 62.300 -0.095 0.000 0.806 272 V CB 1.185 32.947 31.823 -0.102 0.000 1.052 272 V HN 0.740 nan 8.190 nan 0.000 0.449 273 P HA 0.255 nan 4.420 nan 0.000 0.271 273 P C 0.275 177.486 177.300 -0.148 0.000 1.233 273 P CA 0.131 63.181 63.100 -0.083 0.000 0.789 273 P CB 0.488 32.157 31.700 -0.052 0.000 0.951 274 T N -2.746 111.790 114.554 -0.030 0.000 4.076 274 T HA 0.248 4.598 4.350 -0.000 0.000 0.222 274 T C 0.771 175.492 174.700 0.034 0.000 1.008 274 T CA -0.389 61.645 62.100 -0.111 0.000 1.486 274 T CB -1.426 67.344 68.868 -0.165 0.000 0.828 274 T HN 0.044 nan 8.240 nan 0.000 0.625 275 L N 0.291 121.561 121.223 0.079 0.000 2.131 275 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 275 L C 2.722 179.683 176.870 0.151 0.000 1.092 275 L CA 0.980 55.960 54.840 0.233 0.000 0.759 275 L CB -0.513 41.628 42.059 0.137 0.000 0.903 275 L HN 0.461 nan 8.230 nan 0.000 0.435 276 V N -0.799 119.102 119.914 -0.021 0.000 2.594 276 V HA -0.284 3.836 4.120 -0.000 0.000 0.253 276 V C 2.525 178.554 176.094 -0.109 0.000 1.069 276 V CA 2.420 64.696 62.300 -0.040 0.000 1.082 276 V CB -0.069 31.717 31.823 -0.062 0.000 0.680 276 V HN 0.536 nan 8.190 nan 0.000 0.469 277 T N -1.046 113.345 114.554 -0.272 0.000 2.867 277 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 277 T C 1.527 175.995 174.700 -0.387 0.000 1.057 277 T CA 2.029 63.904 62.100 -0.375 0.000 1.136 277 T CB -0.269 68.283 68.868 -0.527 0.000 0.874 277 T HN 0.726 nan 8.240 nan 0.000 0.466 278 Y N 1.323 121.555 120.300 -0.113 0.000 2.286 278 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 278 Y C 2.289 177.876 175.900 -0.520 0.000 1.124 278 Y CA 0.571 58.507 58.100 -0.274 0.000 1.178 278 Y CB -0.606 37.692 38.460 -0.270 0.000 1.010 278 Y HN 0.232 nan 8.280 nan 0.000 0.536 279 D N 0.623 120.863 120.400 -0.268 0.000 2.106 279 D HA -0.250 4.390 4.640 -0.000 0.000 0.191 279 D C 2.307 178.565 176.300 -0.068 0.000 0.997 279 D CA 1.791 55.699 54.000 -0.154 0.000 0.834 279 D CB -0.689 40.143 40.800 0.053 0.000 0.956 279 D HN 0.311 nan 8.370 nan 0.000 0.448 280 A N 0.522 123.327 122.820 -0.025 0.000 1.873 280 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 280 A C 2.320 179.945 177.584 0.068 0.000 1.193 280 A CA 1.415 53.485 52.037 0.055 0.000 0.629 280 A CB -1.030 18.022 19.000 0.086 0.000 0.826 280 A HN 0.243 nan 8.150 nan 0.000 0.447 281 L N -0.871 120.378 121.223 0.044 0.000 2.079 281 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 281 L C 2.864 179.721 176.870 -0.022 0.000 1.081 281 L CA 1.097 55.961 54.840 0.039 0.000 0.752 281 L CB -0.447 41.645 42.059 0.054 0.000 0.896 281 L HN 0.426 nan 8.230 nan 0.000 0.433 282 A N -1.859 120.931 122.820 -0.050 0.000 2.206 282 A HA -0.068 4.252 4.320 -0.000 0.000 0.211 282 A C 2.393 179.976 177.584 -0.002 0.000 1.158 282 A CA 1.521 53.545 52.037 -0.021 0.000 0.761 282 A CB -0.147 18.841 19.000 -0.020 0.000 0.801 282 A HN 0.354 nan 8.150 nan 0.000 0.473 283 S N -0.408 115.287 115.700 -0.008 0.000 2.811 283 S HA 0.026 4.496 4.470 -0.000 0.000 0.237 283 S C 1.216 175.798 174.600 -0.030 0.000 1.038 283 S CA 0.719 58.922 58.200 0.004 0.000 0.881 283 S CB -0.041 63.182 63.200 0.039 0.000 0.815 283 S HN 0.702 nan 8.310 nan 0.000 0.582 284 E N -0.235 119.946 120.200 -0.031 0.000 3.029 284 E HA 0.341 4.691 4.350 -0.000 0.000 0.196 284 E C 1.114 177.534 176.600 -0.299 0.000 0.973 284 E CA 0.137 56.486 56.400 -0.086 0.000 1.242 284 E CB 0.180 29.966 29.700 0.142 0.000 1.056 284 E HN 0.404 nan 8.360 nan 0.000 0.469 285 G N 1.545 110.126 108.800 -0.365 0.000 2.425 285 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.213 285 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.213 285 G C 1.439 176.062 174.900 -0.461 0.000 1.201 285 G CA 0.284 44.985 45.100 -0.665 0.000 0.799 285 G HN 0.133 nan 8.290 nan 0.000 0.534 286 E N 0.711 120.761 120.200 -0.250 0.000 2.171 286 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 286 E C 2.301 178.777 176.600 -0.207 0.000 0.997 286 E CA 1.166 57.460 56.400 -0.175 0.000 0.810 286 E CB -0.098 29.532 29.700 -0.117 0.000 0.738 286 E HN 0.582 nan 8.360 nan 0.000 0.467 287 K N -1.061 119.167 120.400 -0.287 0.000 2.243 287 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 287 K C 0.565 176.908 176.600 -0.429 0.000 1.051 287 K CA 0.585 56.654 56.287 -0.363 0.000 0.970 287 K CB 0.033 32.256 32.500 -0.461 0.000 0.755 287 K HN 0.002 nan 8.250 nan 0.000 0.465 288 Y N 0.705 120.816 120.300 -0.314 0.000 2.867 288 Y HA 0.299 4.849 4.550 -0.000 0.000 0.351 288 Y C 0.619 176.433 175.900 -0.143 0.000 1.046 288 Y CA -0.333 57.627 58.100 -0.233 0.000 1.520 288 Y CB 0.698 38.998 38.460 -0.266 0.000 1.337 288 Y HN 0.301 nan 8.280 nan 0.000 0.525 289 G N 0.814 109.610 108.800 -0.007 0.000 2.198 289 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 289 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 289 G C -0.356 174.576 174.900 0.054 0.000 1.042 289 G CA -0.067 45.056 45.100 0.039 0.000 0.791 289 G HN 0.334 nan 8.290 nan 0.000 0.502 290 L N 1.060 122.268 121.223 -0.024 0.000 2.290 290 L HA 0.655 4.995 4.340 -0.000 0.000 0.284 290 L C -1.708 175.165 176.870 0.006 0.000 1.078 290 L CA -2.159 52.697 54.840 0.027 0.000 0.815 290 L CB 0.679 42.724 42.059 -0.023 0.000 1.162 290 L HN -0.053 nan 8.230 nan 0.000 0.435 291 P HA 0.130 nan 4.420 nan 0.000 0.265 291 P C -2.214 175.089 177.300 0.005 0.000 1.193 291 P CA -0.909 62.200 63.100 0.013 0.000 0.765 291 P CB 0.118 31.829 31.700 0.018 0.000 0.823 292 P HA -0.180 nan 4.420 nan 0.000 0.221 292 P C 1.072 178.372 177.300 -0.000 0.000 1.145 292 P CA 1.352 64.448 63.100 -0.007 0.000 0.795 292 P CB -0.070 31.624 31.700 -0.010 0.000 0.775 293 E N -0.644 119.558 120.200 0.004 0.000 2.106 293 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 293 E C 1.780 178.390 176.600 0.017 0.000 0.984 293 E CA 1.151 57.556 56.400 0.007 0.000 0.806 293 E CB -0.939 28.764 29.700 0.006 0.000 0.750 293 E HN 0.263 nan 8.360 nan 0.000 0.458 294 S N 0.514 116.229 115.700 0.026 0.000 2.501 294 S HA 0.137 4.607 4.470 -0.000 0.000 0.220 294 S C 2.022 176.644 174.600 0.037 0.000 0.997 294 S CA -0.045 58.182 58.200 0.044 0.000 0.919 294 S CB 0.028 63.267 63.200 0.065 0.000 0.778 294 S HN 0.188 nan 8.310 nan 0.000 0.523 295 I N 1.695 122.276 120.570 0.019 0.000 2.439 295 I HA -0.101 4.069 4.170 -0.000 0.000 0.251 295 I C 2.597 178.718 176.117 0.006 0.000 1.139 295 I CA 0.858 62.163 61.300 0.009 0.000 1.438 295 I CB -0.455 37.540 38.000 -0.008 0.000 1.085 295 I HN 0.239 nan 8.210 nan 0.000 0.427 296 A N 0.971 123.793 122.820 0.003 0.000 2.019 296 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 296 A C 2.227 179.806 177.584 -0.008 0.000 1.164 296 A CA 1.449 53.484 52.037 -0.003 0.000 0.644 296 A CB -0.317 18.680 19.000 -0.004 0.000 0.805 296 A HN 0.363 nan 8.150 nan 0.000 0.449 297 K N -0.704 119.693 120.400 -0.005 0.000 2.361 297 K HA 0.287 4.607 4.320 -0.000 0.000 0.194 297 K C 1.400 177.976 176.600 -0.041 0.000 1.032 297 K CA 0.087 56.358 56.287 -0.026 0.000 1.048 297 K CB 0.008 32.498 32.500 -0.015 0.000 0.842 297 K HN 0.486 nan 8.250 nan 0.000 0.526 298 I N 1.375 121.945 120.570 -0.001 0.000 2.163 298 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 298 I C 2.334 178.453 176.117 0.003 0.000 1.085 298 I CA 1.354 62.668 61.300 0.022 0.000 1.347 298 I CB -0.449 37.578 38.000 0.045 0.000 1.044 298 I HN 0.109 nan 8.210 nan 0.000 0.408 299 A N 0.349 123.173 122.820 0.005 0.000 2.178 299 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 299 A C 1.551 179.104 177.584 -0.050 0.000 1.157 299 A CA 1.614 53.655 52.037 0.006 0.000 0.689 299 A CB -0.567 18.434 19.000 0.001 0.000 0.787 299 A HN 0.393 nan 8.150 nan 0.000 0.465 300 D N -0.951 119.390 120.400 -0.098 0.000 2.347 300 D HA -0.001 4.639 4.640 -0.000 0.000 0.215 300 D C 1.607 177.767 176.300 -0.232 0.000 0.976 300 D CA 1.510 55.419 54.000 -0.151 0.000 0.884 300 D CB 0.244 40.942 40.800 -0.170 0.000 0.915 300 D HN 0.567 nan 8.370 nan 0.000 0.526 301 V N -4.106 115.640 119.914 -0.280 0.000 3.359 301 V HA 0.160 4.280 4.120 -0.000 0.000 0.270 301 V C 1.827 177.719 176.094 -0.337 0.000 1.583 301 V CA -0.110 61.946 62.300 -0.407 0.000 1.019 301 V CB -0.108 31.258 31.823 -0.763 0.000 0.831 301 V HN 0.124 nan 8.190 nan 0.000 0.426 302 H N 1.904 120.780 119.070 -0.323 0.000 2.293 302 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 302 H C 2.153 177.409 175.328 -0.121 0.000 1.082 302 H CA 1.851 57.778 56.048 -0.203 0.000 1.308 302 H CB -0.110 29.622 29.762 -0.050 0.000 1.375 302 H HN 0.534 nan 8.280 nan 0.000 0.495 303 G N -0.321 108.385 108.800 -0.158 0.000 2.443 303 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 303 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 303 G C 1.654 176.494 174.900 -0.101 0.000 1.131 303 G CA 0.493 45.473 45.100 -0.200 0.000 0.775 303 G HN 0.531 nan 8.290 nan 0.000 0.547 304 A N 0.683 123.459 122.820 -0.074 0.000 2.206 304 A HA 0.364 4.684 4.320 -0.000 0.000 0.211 304 A C 2.469 180.049 177.584 -0.006 0.000 1.158 304 A CA 1.341 53.365 52.037 -0.022 0.000 0.761 304 A CB -0.545 18.433 19.000 -0.037 0.000 0.801 304 A HN 0.397 nan 8.150 nan 0.000 0.473 305 G N 0.625 109.411 108.800 -0.024 0.000 2.586 305 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 305 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 305 G C 1.476 176.398 174.900 0.038 0.000 1.216 305 G CA 1.267 46.372 45.100 0.009 0.000 0.786 305 G HN 0.438 nan 8.290 nan 0.000 0.583 306 L N -0.649 120.605 121.223 0.052 0.000 2.093 306 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 306 L C 2.661 179.591 176.870 0.100 0.000 1.085 306 L CA 1.161 56.040 54.840 0.066 0.000 0.755 306 L CB -0.368 41.725 42.059 0.057 0.000 0.904 306 L HN 0.308 nan 8.230 nan 0.000 0.435 307 H N -0.100 118.962 119.070 -0.013 0.000 2.423 307 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 307 H C 2.404 177.727 175.328 -0.009 0.000 1.075 307 H CA 1.252 57.293 56.048 -0.013 0.000 1.342 307 H CB -0.008 29.742 29.762 -0.021 0.000 1.395 307 H HN 0.356 nan 8.280 nan 0.000 0.530 308 S N 0.034 115.686 115.700 -0.079 0.000 2.400 308 S HA -0.121 4.349 4.470 -0.000 0.000 0.232 308 S C 2.096 176.639 174.600 -0.095 0.000 1.025 308 S CA 1.227 59.348 58.200 -0.131 0.000 0.993 308 S CB -0.424 62.739 63.200 -0.061 0.000 0.808 308 S HN 0.338 nan 8.310 nan 0.000 0.478 309 I N 2.222 122.770 120.570 -0.037 0.000 2.252 309 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 309 I C 2.668 178.772 176.117 -0.021 0.000 1.102 309 I CA 1.256 62.547 61.300 -0.015 0.000 1.385 309 I CB -1.601 36.410 38.000 0.019 0.000 1.064 309 I HN 0.419 nan 8.210 nan 0.000 0.414 310 E N 1.104 121.297 120.200 -0.012 0.000 2.031 310 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 310 E C 2.381 178.947 176.600 -0.057 0.000 0.994 310 E CA 1.197 57.598 56.400 0.003 0.000 0.800 310 E CB -0.113 29.648 29.700 0.101 0.000 0.752 310 E HN 0.372 nan 8.360 nan 0.000 0.447 311 I N 0.655 121.122 120.570 -0.171 0.000 2.087 311 I HA -0.395 3.775 4.170 -0.000 0.000 0.240 311 I C 2.582 178.644 176.117 -0.093 0.000 1.054 311 I CA 1.412 62.610 61.300 -0.171 0.000 1.311 311 I CB -0.271 37.569 38.000 -0.266 0.000 1.024 311 I HN 0.225 nan 8.210 nan 0.000 0.402 312 M N -0.098 119.452 119.600 -0.083 0.000 2.065 312 M HA -0.268 4.212 4.480 -0.000 0.000 0.259 312 M C 2.454 178.731 176.300 -0.039 0.000 1.069 312 M CA 1.829 57.096 55.300 -0.055 0.000 1.110 312 M CB -0.434 32.139 32.600 -0.046 0.000 1.328 312 M HN 0.128 nan 8.290 nan 0.000 0.405 313 K N 0.369 120.752 120.400 -0.028 0.000 2.063 313 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 313 K C 2.083 178.672 176.600 -0.018 0.000 1.048 313 K CA 1.515 57.792 56.287 -0.016 0.000 0.928 313 K CB -0.221 32.278 32.500 -0.002 0.000 0.713 313 K HN 0.216 nan 8.250 nan 0.000 0.442 314 R N -0.077 120.412 120.500 -0.019 0.000 2.159 314 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 314 R C 1.521 177.808 176.300 -0.021 0.000 1.131 314 R CA 1.429 57.520 56.100 -0.014 0.000 0.982 314 R CB -0.087 30.207 30.300 -0.011 0.000 0.868 314 R HN 0.244 nan 8.270 nan 0.000 0.453 315 A N -0.977 121.825 122.820 -0.029 0.000 2.303 315 A HA 0.301 4.621 4.320 -0.000 0.000 0.217 315 A C 1.242 178.804 177.584 -0.036 0.000 1.205 315 A CA 0.538 52.556 52.037 -0.031 0.000 0.875 315 A CB 0.427 19.406 19.000 -0.035 0.000 0.910 315 A HN 0.497 nan 8.150 nan 0.000 0.501 316 G N -0.990 107.787 108.800 -0.037 0.000 2.141 316 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.231 316 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.231 316 G C 0.176 175.039 174.900 -0.061 0.000 0.984 316 G CA -0.004 45.069 45.100 -0.045 0.000 0.660 316 G HN 0.779 nan 8.290 nan 0.000 0.525 317 V N 0.706 120.585 119.914 -0.058 0.000 2.599 317 V HA 0.205 4.325 4.120 -0.000 0.000 0.300 317 V C 1.042 177.092 176.094 -0.074 0.000 1.034 317 V CA 0.457 62.712 62.300 -0.074 0.000 1.115 317 V CB 0.988 32.778 31.823 -0.056 0.000 0.934 317 V HN 0.371 nan 8.190 nan 0.000 0.485 318 K N 5.722 126.046 120.400 -0.127 0.000 2.310 318 K HA 0.404 4.724 4.320 -0.000 0.000 0.290 318 K C -0.352 176.262 176.600 0.024 0.000 1.077 318 K CA 0.277 56.507 56.287 -0.094 0.000 0.922 318 K CB 0.428 32.746 32.500 -0.304 0.000 1.057 318 K HN 0.581 nan 8.250 nan 0.000 0.479 319 M N 2.544 122.178 119.600 0.057 0.000 2.101 319 M HA 0.243 4.723 4.480 -0.000 0.000 0.340 319 M C 0.499 176.858 176.300 0.099 0.000 1.057 319 M CA -0.568 54.773 55.300 0.069 0.000 0.984 319 M CB 1.727 34.349 32.600 0.036 0.000 1.560 319 M HN 0.732 nan 8.290 nan 0.000 0.435 320 G N 2.023 110.880 108.800 0.094 0.000 2.562 320 G HA2 0.422 4.382 3.960 -0.000 0.000 0.275 320 G HA3 0.422 4.382 3.960 -0.000 0.000 0.275 320 G C -1.354 173.599 174.900 0.089 0.000 1.196 320 G CA -0.417 44.730 45.100 0.078 0.000 0.908 320 G HN 0.617 nan 8.290 nan 0.000 0.524 321 F N 0.232 120.160 119.950 -0.036 0.000 2.399 321 F HA 0.649 5.176 4.527 0.000 0.000 0.334 321 F C 0.454 176.204 175.800 -0.083 0.000 1.097 321 F CA 0.216 58.178 58.000 -0.063 0.000 1.076 321 F CB 1.699 40.666 39.000 -0.054 0.000 1.162 321 F HN 0.688 nan 8.300 nan 0.000 0.495 322 G N 2.180 110.544 108.800 -0.727 0.000 2.667 322 G HA2 0.415 4.375 3.960 -0.000 0.000 0.294 322 G HA3 0.415 4.375 3.960 -0.000 0.000 0.294 322 G C -0.588 173.951 174.900 -0.601 0.000 1.467 322 G CA -0.153 44.670 45.100 -0.460 0.000 0.852 322 G HN 0.793 nan 8.290 nan 0.000 0.521 323 T N -2.421 111.901 114.554 -0.386 0.000 3.125 323 T HA 0.264 4.614 4.350 -0.000 0.000 0.252 323 T C 0.684 175.248 174.700 -0.226 0.000 0.981 323 T CA 1.135 63.032 62.100 -0.338 0.000 1.069 323 T CB 0.077 68.769 68.868 -0.295 0.000 1.091 323 T HN 0.985 nan 8.240 nan 0.000 0.460 324 D N 0.867 121.195 120.400 -0.120 0.000 2.705 324 D HA -0.110 4.530 4.640 -0.000 0.000 0.240 324 D C -0.778 175.498 176.300 -0.039 0.000 1.137 324 D CA 0.223 54.238 54.000 0.025 0.000 0.677 324 D CB -1.818 38.949 40.800 -0.055 0.000 1.049 324 D HN 0.572 nan 8.370 nan 0.000 0.427 325 L N -0.036 121.137 121.223 -0.085 0.000 2.375 325 L HA 0.665 5.005 4.340 -0.000 0.000 0.268 325 L C 0.524 177.293 176.870 -0.168 0.000 1.058 325 L CA -0.947 53.815 54.840 -0.131 0.000 0.803 325 L CB 1.208 43.184 42.059 -0.138 0.000 1.212 325 L HN 0.058 nan 8.230 nan 0.000 0.451 326 L N 0.468 121.488 121.223 -0.339 0.000 2.381 326 L HA 0.675 5.015 4.340 -0.000 0.000 0.268 326 L C 0.810 177.168 176.870 -0.853 0.000 0.997 326 L CA -0.560 53.949 54.840 -0.551 0.000 0.818 326 L CB 1.554 43.206 42.059 -0.679 0.000 1.310 326 L HN 0.834 nan 8.230 nan 0.000 0.416 327 G N 1.942 110.382 108.800 -0.600 0.000 2.651 327 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.315 327 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.315 327 G C 0.655 175.341 174.900 -0.356 0.000 1.258 327 G CA 0.877 45.685 45.100 -0.486 0.000 1.002 327 G HN 0.739 nan 8.290 nan 0.000 0.551 328 E N 0.784 120.798 120.200 -0.310 0.000 2.153 328 E HA 0.238 4.588 4.350 -0.000 0.000 0.194 328 E C 2.774 179.277 176.600 -0.162 0.000 0.988 328 E CA 1.853 58.071 56.400 -0.303 0.000 0.811 328 E CB -0.474 28.769 29.700 -0.761 0.000 0.746 328 E HN 0.941 nan 8.360 nan 0.000 0.466 329 A N 0.860 123.621 122.820 -0.098 0.000 2.209 329 A HA -0.148 4.172 4.320 -0.000 0.000 0.212 329 A C 1.716 179.257 177.584 -0.072 0.000 1.158 329 A CA 0.562 52.601 52.037 0.003 0.000 0.742 329 A CB -0.295 18.793 19.000 0.146 0.000 0.790 329 A HN 0.155 nan 8.150 nan 0.000 0.472 330 Q N 0.029 119.747 119.800 -0.138 0.000 2.297 330 Q HA -0.240 4.100 4.340 -0.000 0.000 0.208 330 Q C 2.075 178.035 176.000 -0.067 0.000 0.981 330 Q CA 1.510 57.241 55.803 -0.120 0.000 0.876 330 Q CB -0.342 28.313 28.738 -0.138 0.000 0.921 330 Q HN 0.939 nan 8.270 nan 0.000 0.446 331 R N 0.723 121.200 120.500 -0.039 0.000 2.152 331 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 331 R C 1.605 177.924 176.300 0.033 0.000 1.117 331 R CA 1.033 57.134 56.100 0.002 0.000 0.981 331 R CB -0.413 29.893 30.300 0.010 0.000 0.870 331 R HN 0.194 nan 8.270 nan 0.000 0.451 332 L N 1.405 122.644 121.223 0.028 0.000 2.645 332 L HA 0.050 4.390 4.340 -0.000 0.000 0.235 332 L C 2.498 179.404 176.870 0.061 0.000 1.150 332 L CA 0.204 55.077 54.840 0.054 0.000 0.911 332 L CB -0.395 41.693 42.059 0.049 0.000 1.077 332 L HN 0.398 nan 8.230 nan 0.000 0.438 333 Q N 0.587 120.412 119.800 0.041 0.000 2.062 333 Q HA -0.266 4.074 4.340 -0.000 0.000 0.209 333 Q C 2.112 178.214 176.000 0.170 0.000 0.996 333 Q CA 2.579 58.393 55.803 0.018 0.000 0.859 333 Q CB 0.044 28.738 28.738 -0.073 0.000 0.920 333 Q HN 0.504 nan 8.270 nan 0.000 0.415 334 S N 0.994 116.886 115.700 0.319 0.000 2.442 334 S HA -0.128 4.342 4.470 -0.000 0.000 0.236 334 S C 1.151 176.018 174.600 0.444 0.000 1.007 334 S CA 1.088 59.610 58.200 0.536 0.000 0.965 334 S CB -0.281 63.207 63.200 0.479 0.000 0.773 334 S HN 0.436 nan 8.310 nan 0.000 0.504 335 D N 1.415 121.970 120.400 0.257 0.000 2.271 335 D HA -0.133 4.507 4.640 -0.000 0.000 0.207 335 D C 1.814 178.225 176.300 0.185 0.000 0.983 335 D CA 0.881 55.001 54.000 0.200 0.000 0.878 335 D CB -0.260 40.617 40.800 0.128 0.000 0.920 335 D HN 0.478 nan 8.370 nan 0.000 0.479 336 E N -0.592 119.692 120.200 0.140 0.000 2.204 336 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 336 E C 1.526 178.229 176.600 0.171 0.000 0.990 336 E CA 0.776 57.191 56.400 0.025 0.000 0.821 336 E CB -0.311 29.209 29.700 -0.299 0.000 0.750 336 E HN 0.252 nan 8.360 nan 0.000 0.477 337 F N 0.750 120.927 119.950 0.380 0.000 2.146 337 F HA -0.039 4.488 4.527 0.000 0.000 0.298 337 F C 2.520 178.422 175.800 0.170 0.000 1.096 337 F CA 1.648 59.822 58.000 0.291 0.000 1.275 337 F CB -0.334 38.760 39.000 0.155 0.000 1.008 337 F HN 0.099 nan 8.300 nan 0.000 0.480 338 R N 0.533 121.228 120.500 0.325 0.000 2.246 338 R HA 0.040 4.380 4.340 -0.000 0.000 0.199 338 R C 1.759 178.151 176.300 0.152 0.000 0.984 338 R CA 0.845 57.067 56.100 0.204 0.000 1.015 338 R CB -0.377 30.025 30.300 0.170 0.000 0.930 338 R HN 0.309 nan 8.270 nan 0.000 0.475 339 I N 0.857 121.516 120.570 0.149 0.000 2.400 339 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 339 I C 2.146 178.325 176.117 0.103 0.000 1.109 339 I CA 0.700 62.066 61.300 0.111 0.000 1.425 339 I CB -0.107 37.951 38.000 0.096 0.000 1.094 339 I HN 0.091 nan 8.210 nan 0.000 0.425 340 L N 0.789 122.082 121.223 0.117 0.000 2.083 340 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 340 L C 2.655 179.593 176.870 0.113 0.000 1.083 340 L CA 1.314 56.221 54.840 0.111 0.000 0.752 340 L CB -0.615 41.529 42.059 0.142 0.000 0.899 340 L HN 0.239 nan 8.230 nan 0.000 0.433 341 A N -0.684 122.217 122.820 0.134 0.000 2.216 341 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 341 A C 2.024 179.656 177.584 0.080 0.000 1.160 341 A CA 0.957 53.059 52.037 0.109 0.000 0.725 341 A CB -0.408 18.662 19.000 0.117 0.000 0.784 341 A HN 0.446 nan 8.150 nan 0.000 0.472 342 E N -1.000 119.247 120.200 0.079 0.000 2.268 342 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 342 E C 1.113 177.746 176.600 0.054 0.000 0.995 342 E CA 1.076 57.513 56.400 0.062 0.000 0.836 342 E CB 0.113 29.850 29.700 0.061 0.000 0.763 342 E HN 0.450 nan 8.360 nan 0.000 0.491 343 V N 0.017 119.966 119.914 0.059 0.000 3.480 343 V HA 0.149 4.269 4.120 -0.000 0.000 0.263 343 V C 0.261 176.385 176.094 0.050 0.000 1.442 343 V CA 0.131 62.462 62.300 0.053 0.000 1.053 343 V CB 0.739 32.595 31.823 0.056 0.000 0.846 343 V HN 0.042 nan 8.190 nan 0.000 0.440 344 L N 0.872 122.130 121.223 0.059 0.000 2.342 344 L HA 0.559 4.899 4.340 -0.000 0.000 0.271 344 L C 0.411 177.315 176.870 0.057 0.000 1.008 344 L CA -0.485 54.389 54.840 0.057 0.000 0.818 344 L CB 2.149 44.249 42.059 0.068 0.000 1.296 344 L HN 0.260 nan 8.230 nan 0.000 0.427 345 S N 1.132 116.859 115.700 0.045 0.000 2.568 345 S HA 0.150 4.620 4.470 -0.000 0.000 0.282 345 S C -1.906 172.722 174.600 0.047 0.000 1.338 345 S CA -0.895 57.327 58.200 0.038 0.000 1.045 345 S CB 0.830 64.045 63.200 0.026 0.000 0.873 345 S HN 0.427 nan 8.310 nan 0.000 0.516 346 P HA -0.184 nan 4.420 nan 0.000 0.216 346 P C 1.600 178.918 177.300 0.031 0.000 1.154 346 P CA 2.205 65.328 63.100 0.038 0.000 0.865 346 P CB -0.266 31.440 31.700 0.010 0.000 0.789 347 A N -0.374 122.458 122.820 0.019 0.000 1.933 347 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 347 A C 2.170 179.769 177.584 0.024 0.000 1.175 347 A CA 1.748 53.791 52.037 0.011 0.000 0.628 347 A CB -1.149 17.855 19.000 0.005 0.000 0.814 347 A HN 0.205 nan 8.150 nan 0.000 0.444 348 E N -0.570 119.652 120.200 0.037 0.000 2.107 348 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 348 E C 1.985 178.631 176.600 0.077 0.000 0.982 348 E CA 0.989 57.417 56.400 0.046 0.000 0.809 348 E CB -0.133 29.593 29.700 0.043 0.000 0.756 348 E HN 0.415 nan 8.360 nan 0.000 0.459 349 V N 1.100 121.078 119.914 0.107 0.000 2.244 349 V HA -0.259 3.861 4.120 -0.000 0.000 0.244 349 V C 2.180 178.375 176.094 0.168 0.000 1.042 349 V CA 1.361 63.769 62.300 0.179 0.000 1.006 349 V CB -0.348 31.619 31.823 0.239 0.000 0.641 349 V HN 0.198 nan 8.190 nan 0.000 0.446 350 I N 0.932 121.565 120.570 0.105 0.000 2.113 350 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 350 I C 2.585 178.717 176.117 0.025 0.000 1.064 350 I CA 2.003 63.325 61.300 0.036 0.000 1.320 350 I CB -0.981 36.995 38.000 -0.038 0.000 1.028 350 I HN 0.252 nan 8.210 nan 0.000 0.406 351 A N -0.257 122.578 122.820 0.026 0.000 1.948 351 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 351 A C 2.528 180.141 177.584 0.048 0.000 1.177 351 A CA 2.634 54.683 52.037 0.021 0.000 0.636 351 A CB -1.212 17.798 19.000 0.016 0.000 0.815 351 A HN 0.586 nan 8.150 nan 0.000 0.449 352 S N 0.024 115.778 115.700 0.091 0.000 2.368 352 S HA 0.060 4.530 4.470 -0.000 0.000 0.225 352 S C 1.842 176.527 174.600 0.142 0.000 1.030 352 S CA 1.313 59.596 58.200 0.137 0.000 0.999 352 S CB -0.600 62.725 63.200 0.208 0.000 0.844 352 S HN 1.073 nan 8.310 nan 0.000 0.459 353 A N 0.955 123.822 122.820 0.078 0.000 2.259 353 A HA 0.376 4.696 4.320 -0.000 0.000 0.208 353 A C 1.733 179.304 177.584 -0.022 0.000 1.201 353 A CA 0.917 52.936 52.037 -0.029 0.000 0.824 353 A CB -0.590 18.236 19.000 -0.290 0.000 0.838 353 A HN 0.810 nan 8.150 nan 0.000 0.485 354 T N -2.666 111.882 114.554 -0.010 0.000 3.236 354 T HA 0.142 4.492 4.350 -0.000 0.000 0.146 354 T C 1.691 176.373 174.700 -0.029 0.000 0.898 354 T CA 0.593 62.671 62.100 -0.036 0.000 0.882 354 T CB -0.885 67.951 68.868 -0.053 0.000 1.609 354 T HN 0.323 nan 8.240 nan 0.000 0.316 355 I N 1.502 122.060 120.570 -0.021 0.000 2.394 355 I HA 0.054 4.224 4.170 -0.000 0.000 0.251 355 I C 2.337 178.451 176.117 -0.006 0.000 1.136 355 I CA 0.824 62.114 61.300 -0.018 0.000 1.425 355 I CB -0.844 37.146 38.000 -0.016 0.000 1.079 355 I HN 0.130 nan 8.210 nan 0.000 0.425 356 V N 1.022 120.946 119.914 0.016 0.000 2.407 356 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 356 V C 2.743 178.826 176.094 -0.017 0.000 1.041 356 V CA 2.020 64.350 62.300 0.051 0.000 1.040 356 V CB -0.501 31.378 31.823 0.094 0.000 0.671 356 V HN 0.415 nan 8.190 nan 0.000 0.455 357 S N 0.607 116.287 115.700 -0.033 0.000 2.353 357 S HA -0.241 4.229 4.470 -0.000 0.000 0.222 357 S C 2.289 176.787 174.600 -0.171 0.000 1.035 357 S CA 1.670 59.811 58.200 -0.098 0.000 1.025 357 S CB -0.648 62.529 63.200 -0.039 0.000 0.902 357 S HN 0.647 nan 8.310 nan 0.000 0.440 358 A N 1.183 123.927 122.820 -0.127 0.000 1.917 358 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 358 A C 2.024 179.516 177.584 -0.153 0.000 1.182 358 A CA 2.039 53.991 52.037 -0.142 0.000 0.633 358 A CB -0.750 18.201 19.000 -0.081 0.000 0.819 358 A HN 0.629 nan 8.150 nan 0.000 0.448 359 E N -0.442 119.686 120.200 -0.120 0.000 2.085 359 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 359 E C 1.912 178.344 176.600 -0.280 0.000 0.994 359 E CA 1.466 57.800 56.400 -0.111 0.000 0.801 359 E CB -0.147 29.563 29.700 0.016 0.000 0.743 359 E HN 0.375 nan 8.360 nan 0.000 0.453 360 V N 1.270 120.899 119.914 -0.476 0.000 2.295 360 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 360 V C 2.304 178.104 176.094 -0.491 0.000 1.049 360 V CA 1.510 63.383 62.300 -0.711 0.000 1.024 360 V CB -0.410 31.007 31.823 -0.676 0.000 0.648 360 V HN 0.365 nan 8.190 nan 0.000 0.447 361 L N 0.610 121.602 121.223 -0.386 0.000 2.549 361 L HA 0.107 4.447 4.340 -0.000 0.000 0.229 361 L C 1.729 178.484 176.870 -0.192 0.000 1.158 361 L CA 0.885 55.482 54.840 -0.406 0.000 0.842 361 L CB -1.131 40.482 42.059 -0.743 0.000 0.952 361 L HN 0.598 nan 8.230 nan 0.000 0.452 362 G N 0.031 108.738 108.800 -0.155 0.000 2.221 362 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 362 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 362 G C 0.510 175.407 174.900 -0.005 0.000 1.041 362 G CA 0.222 45.294 45.100 -0.047 0.000 0.807 362 G HN 0.254 nan 8.290 nan 0.000 0.502 363 M N 0.728 120.299 119.600 -0.049 0.000 2.685 363 M HA 0.140 4.620 4.480 -0.000 0.000 0.355 363 M C 1.025 177.329 176.300 0.006 0.000 1.197 363 M CA -0.059 55.241 55.300 -0.001 0.000 0.947 363 M CB 0.230 32.803 32.600 -0.045 0.000 1.346 363 M HN 0.578 nan 8.290 nan 0.000 0.516 364 Q N 0.550 120.351 119.800 0.001 0.000 2.315 364 Q HA -0.023 4.317 4.340 -0.000 0.000 0.289 364 Q C -0.186 175.835 176.000 0.034 0.000 1.044 364 Q CA 0.612 56.420 55.803 0.009 0.000 0.920 364 Q CB 0.585 29.328 28.738 0.008 0.000 1.214 364 Q HN 0.288 nan 8.270 nan 0.000 0.392 365 D N 1.476 121.895 120.400 0.031 0.000 2.978 365 D HA -0.187 4.453 4.640 -0.000 0.000 0.205 365 D C 0.252 176.598 176.300 0.077 0.000 1.093 365 D CA 2.056 56.084 54.000 0.046 0.000 1.006 365 D CB -0.459 40.370 40.800 0.048 0.000 1.116 365 D HN 0.767 nan 8.370 nan 0.000 0.419 366 K N -0.581 119.876 120.400 0.095 0.000 2.370 366 K HA 0.346 4.666 4.320 -0.000 0.000 0.194 366 K C 0.956 177.648 176.600 0.154 0.000 1.070 366 K CA 0.367 56.758 56.287 0.172 0.000 0.998 366 K CB 1.344 33.982 32.500 0.231 0.000 0.911 366 K HN 0.080 nan 8.250 nan 0.000 0.533 367 L N -1.142 120.115 121.223 0.058 0.000 2.409 367 L HA 0.427 4.767 4.340 -0.000 0.000 0.255 367 L C 0.434 177.290 176.870 -0.023 0.000 1.027 367 L CA -0.586 54.256 54.840 0.003 0.000 0.834 367 L CB 2.209 44.242 42.059 -0.043 0.000 1.426 367 L HN 0.343 nan 8.230 nan 0.000 0.411 368 G N 0.965 109.739 108.800 -0.044 0.000 2.184 368 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 368 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 368 G C 0.199 175.069 174.900 -0.050 0.000 0.975 368 G CA 0.198 45.265 45.100 -0.054 0.000 0.642 368 G HN 0.510 nan 8.290 nan 0.000 0.536 369 R N -0.869 119.608 120.500 -0.038 0.000 2.584 369 R HA 0.486 4.826 4.340 -0.000 0.000 0.276 369 R C -0.635 175.643 176.300 -0.037 0.000 1.046 369 R CA -0.970 55.107 56.100 -0.039 0.000 0.906 369 R CB 1.295 31.583 30.300 -0.020 0.000 1.215 369 R HN 0.141 nan 8.270 nan 0.000 0.449 370 I N 4.629 125.163 120.570 -0.059 0.000 2.278 370 I HA 0.130 4.300 4.170 -0.000 0.000 0.296 370 I C 0.036 176.132 176.117 -0.036 0.000 1.121 370 I CA -0.102 61.165 61.300 -0.054 0.000 1.267 370 I CB 0.559 38.504 38.000 -0.092 0.000 1.447 370 I HN 0.255 nan 8.210 nan 0.000 0.509 371 V N 4.008 123.924 119.914 0.003 0.000 3.147 371 V HA 0.646 4.766 4.120 -0.000 0.000 0.306 371 V C -2.880 173.246 176.094 0.054 0.000 1.209 371 V CA -2.765 59.547 62.300 0.019 0.000 1.023 371 V CB 1.817 33.650 31.823 0.017 0.000 1.059 371 V HN 0.227 nan 8.190 nan 0.000 0.435 372 P HA 0.277 nan 4.420 nan 0.000 0.259 372 P C 1.051 178.408 177.300 0.096 0.000 1.163 372 P CA 2.375 65.522 63.100 0.079 0.000 0.760 372 P CB 0.451 32.188 31.700 0.063 0.000 0.762 373 G N 2.370 111.256 108.800 0.144 0.000 2.420 373 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.221 373 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.221 373 G C 0.539 175.615 174.900 0.294 0.000 1.117 373 G CA 0.038 45.260 45.100 0.204 0.000 0.657 373 G HN 0.841 nan 8.290 nan 0.000 0.512 374 A N 0.783 123.698 122.820 0.158 0.000 2.547 374 A HA 0.473 4.793 4.320 -0.000 0.000 0.233 374 A C 0.519 178.088 177.584 -0.025 0.000 1.067 374 A CA 0.733 52.833 52.037 0.105 0.000 0.763 374 A CB -0.158 18.884 19.000 0.069 0.000 1.007 374 A HN 0.859 nan 8.150 nan 0.000 0.506 375 H N 0.271 119.222 119.070 -0.198 0.000 2.972 375 H HA 0.260 4.816 4.556 -0.000 0.000 0.343 375 H C 1.056 176.242 175.328 -0.236 0.000 1.054 375 H CA 1.145 56.935 56.048 -0.430 0.000 1.412 375 H CB 0.593 30.160 29.762 -0.325 0.000 1.385 375 H HN 0.761 nan 8.280 nan 0.000 0.600 376 A N 3.799 126.532 122.820 -0.146 0.000 3.046 376 A HA 0.028 4.348 4.320 -0.000 0.000 0.259 376 A C -0.413 177.158 177.584 -0.021 0.000 1.843 376 A CA -0.296 51.725 52.037 -0.027 0.000 1.451 376 A CB -0.765 18.255 19.000 0.034 0.000 1.025 376 A HN 0.573 nan 8.150 nan 0.000 0.625 377 D N 0.891 121.267 120.400 -0.040 0.000 2.443 377 D HA 0.421 5.061 4.640 -0.000 0.000 0.221 377 D C -0.627 175.608 176.300 -0.109 0.000 1.097 377 D CA 0.180 54.137 54.000 -0.071 0.000 0.865 377 D CB 1.441 42.195 40.800 -0.077 0.000 1.034 377 D HN 0.093 nan 8.370 nan 0.000 0.511 378 V N 2.880 122.713 119.914 -0.134 0.000 2.735 378 V HA 0.485 4.605 4.120 -0.000 0.000 0.310 378 V C -0.121 175.838 176.094 -0.224 0.000 1.061 378 V CA -0.784 61.387 62.300 -0.215 0.000 0.913 378 V CB 2.450 34.082 31.823 -0.318 0.000 1.005 378 V HN 0.323 nan 8.190 nan 0.000 0.428 379 L N 3.912 124.985 121.223 -0.250 0.000 2.342 379 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 379 L C -0.844 175.887 176.870 -0.232 0.000 1.008 379 L CA -1.002 53.708 54.840 -0.217 0.000 0.818 379 L CB 2.243 44.177 42.059 -0.208 0.000 1.296 379 L HN 0.298 nan 8.230 nan 0.000 0.427 380 V N 3.358 123.170 119.914 -0.169 0.000 2.347 380 V HA 0.340 4.460 4.120 -0.000 0.000 0.280 380 V C -0.163 175.876 176.094 -0.092 0.000 1.021 380 V CA -0.488 61.735 62.300 -0.128 0.000 0.847 380 V CB 1.944 33.725 31.823 -0.070 0.000 0.990 380 V HN 0.420 nan 8.190 nan 0.000 0.444 381 V N 3.959 123.816 119.914 -0.095 0.000 2.378 381 V HA 0.290 4.410 4.120 -0.000 0.000 0.288 381 V C 0.131 176.198 176.094 -0.045 0.000 1.016 381 V CA -0.612 61.641 62.300 -0.077 0.000 0.840 381 V CB 1.797 33.548 31.823 -0.121 0.000 0.994 381 V HN 0.878 nan 8.190 nan 0.000 0.431 382 D N 4.360 124.759 120.400 -0.002 0.000 2.597 382 D HA 0.466 5.106 4.640 -0.000 0.000 0.228 382 D C 0.442 176.724 176.300 -0.031 0.000 1.120 382 D CA 1.185 55.192 54.000 0.012 0.000 1.083 382 D CB -0.242 40.604 40.800 0.076 0.000 1.116 382 D HN 0.854 nan 8.370 nan 0.000 0.487 383 G N 1.300 110.064 108.800 -0.059 0.000 2.313 383 G HA2 0.124 4.084 3.960 -0.000 0.000 0.296 383 G HA3 0.124 4.084 3.960 -0.000 0.000 0.296 383 G C -1.487 173.362 174.900 -0.085 0.000 1.356 383 G CA -1.014 44.033 45.100 -0.089 0.000 0.833 383 G HN 0.187 nan 8.290 nan 0.000 0.552 384 N N 0.689 119.338 118.700 -0.086 0.000 2.706 384 N HA 0.477 5.217 4.740 -0.000 0.000 0.240 384 N C -1.689 173.767 175.510 -0.090 0.000 1.039 384 N CA -2.141 50.862 53.050 -0.079 0.000 0.888 384 N CB 2.220 40.673 38.487 -0.056 0.000 1.128 384 N HN 0.015 nan 8.380 nan 0.000 0.512 385 P HA -0.092 nan 4.420 nan 0.000 0.217 385 P C 1.446 178.690 177.300 -0.094 0.000 1.148 385 P CA 0.971 63.988 63.100 -0.138 0.000 0.828 385 P CB 0.425 32.010 31.700 -0.192 0.000 0.783 386 L N -1.506 119.673 121.223 -0.073 0.000 2.265 386 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 386 L C 2.227 179.079 176.870 -0.030 0.000 1.117 386 L CA 1.250 56.064 54.840 -0.044 0.000 0.782 386 L CB -0.470 41.568 42.059 -0.035 0.000 0.914 386 L HN -0.010 nan 8.230 nan 0.000 0.441 387 K N -1.225 119.153 120.400 -0.037 0.000 2.190 387 K HA 0.181 4.501 4.320 -0.000 0.000 0.202 387 K C 0.663 177.247 176.600 -0.027 0.000 1.045 387 K CA 0.389 56.660 56.287 -0.027 0.000 0.976 387 K CB 0.628 33.109 32.500 -0.031 0.000 0.849 387 K HN 0.052 nan 8.250 nan 0.000 0.468 388 S N 0.229 115.904 115.700 -0.042 0.000 2.572 388 S HA 0.194 4.664 4.470 -0.000 0.000 0.274 388 S C 0.270 174.831 174.600 -0.065 0.000 1.150 388 S CA -0.632 57.545 58.200 -0.039 0.000 0.944 388 S CB 1.634 64.810 63.200 -0.040 0.000 1.071 388 S HN -0.000 nan 8.310 nan 0.000 0.479 389 V N 1.371 121.256 119.914 -0.048 0.000 3.573 389 V HA 0.200 4.320 4.120 -0.000 0.000 0.270 389 V C 1.273 177.316 176.094 -0.085 0.000 1.221 389 V CA 0.960 63.199 62.300 -0.102 0.000 1.163 389 V CB -0.629 31.166 31.823 -0.047 0.000 0.847 389 V HN 0.725 nan 8.190 nan 0.000 0.468 390 D N 1.400 121.770 120.400 -0.049 0.000 2.265 390 D HA -0.144 4.496 4.640 -0.000 0.000 0.208 390 D C 2.034 178.295 176.300 -0.065 0.000 0.977 390 D CA 1.796 55.776 54.000 -0.033 0.000 0.871 390 D CB -0.266 40.511 40.800 -0.038 0.000 0.925 390 D HN 0.861 nan 8.370 nan 0.000 0.485 391 C N -1.156 118.071 119.300 -0.123 0.000 2.514 391 C HA 0.212 4.672 4.460 -0.000 0.000 0.271 391 C C 2.393 177.350 174.990 -0.055 0.000 1.399 391 C CA -0.408 58.528 59.018 -0.137 0.000 1.765 391 C CB -1.338 26.297 27.740 -0.175 0.000 1.893 391 C HN 0.179 nan 8.230 nan 0.000 0.531 392 L N 0.062 121.201 121.223 -0.141 0.000 2.446 392 L HA 0.175 4.515 4.340 -0.000 0.000 0.219 392 L C 0.964 177.819 176.870 -0.025 0.000 1.116 392 L CA -0.096 54.622 54.840 -0.204 0.000 0.844 392 L CB -0.494 41.204 42.059 -0.601 0.000 0.970 392 L HN 0.194 nan 8.230 nan 0.000 0.457 393 L N 0.101 121.358 121.223 0.055 0.000 2.473 393 L HA 0.321 4.661 4.340 -0.000 0.000 0.265 393 L C 1.241 178.190 176.870 0.132 0.000 1.243 393 L CA 1.295 56.218 54.840 0.138 0.000 0.822 393 L CB -0.648 41.488 42.059 0.128 0.000 1.101 393 L HN 0.288 nan 8.230 nan 0.000 0.507 394 G N 0.750 109.631 108.800 0.135 0.000 2.542 394 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.235 394 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.235 394 G C -0.204 174.753 174.900 0.095 0.000 1.286 394 G CA -0.222 44.939 45.100 0.102 0.000 0.904 394 G HN 0.497 nan 8.290 nan 0.000 0.577 395 Q N 1.427 121.262 119.800 0.058 0.000 2.526 395 Q HA 0.435 4.775 4.340 -0.000 0.000 0.353 395 Q C 1.333 177.349 176.000 0.027 0.000 0.977 395 Q CA 0.888 56.721 55.803 0.051 0.000 1.027 395 Q CB 0.182 28.941 28.738 0.034 0.000 1.272 395 Q HN 2.379 nan 8.270 nan 0.000 0.420 396 G N 1.087 109.903 108.800 0.027 0.000 2.160 396 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.251 396 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.251 396 G C 0.741 175.610 174.900 -0.052 0.000 1.008 396 G CA 0.666 45.762 45.100 -0.007 0.000 0.724 396 G HN 0.384 nan 8.290 nan 0.000 0.514 397 E N -0.171 119.971 120.200 -0.098 0.000 2.130 397 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 397 E C 1.688 178.051 176.600 -0.395 0.000 0.998 397 E CA 1.548 57.791 56.400 -0.262 0.000 0.806 397 E CB -0.104 29.375 29.700 -0.367 0.000 0.738 397 E HN 0.777 nan 8.360 nan 0.000 0.459 398 H N -1.055 118.001 119.070 -0.024 0.000 2.488 398 H HA 0.283 4.839 4.556 -0.000 0.000 0.294 398 H C -0.214 175.080 175.328 -0.056 0.000 1.088 398 H CA 0.046 56.072 56.048 -0.036 0.000 1.086 398 H CB 0.163 29.899 29.762 -0.042 0.000 1.569 398 H HN 0.087 nan 8.280 nan 0.000 0.548 399 I N 2.919 123.489 120.570 0.001 0.000 2.668 399 I HA 0.163 4.333 4.170 -0.000 0.000 0.276 399 I C -1.931 174.169 176.117 -0.028 0.000 1.139 399 I CA -1.597 59.684 61.300 -0.032 0.000 1.133 399 I CB 1.915 39.877 38.000 -0.064 0.000 1.327 399 I HN -0.147 nan 8.210 nan 0.000 0.520 400 P HA 0.050 nan 4.420 nan 0.000 0.245 400 P C 0.150 177.451 177.300 0.002 0.000 1.206 400 P CA 0.540 63.637 63.100 -0.005 0.000 0.781 400 P CB 0.963 32.667 31.700 0.007 0.000 0.994 401 L N -0.191 121.024 121.223 -0.013 0.000 2.438 401 L HA 0.511 4.851 4.340 -0.000 0.000 0.270 401 L C -1.489 175.357 176.870 -0.039 0.000 0.972 401 L CA -0.911 53.923 54.840 -0.009 0.000 0.831 401 L CB 2.438 44.505 42.059 0.012 0.000 1.273 401 L HN -0.433 nan 8.230 nan 0.000 0.405 402 V N 5.978 125.884 119.914 -0.013 0.000 2.443 402 V HA 0.499 4.619 4.120 -0.000 0.000 0.293 402 V C -0.310 175.797 176.094 0.022 0.000 1.021 402 V CA -0.325 61.960 62.300 -0.026 0.000 0.848 402 V CB 1.603 33.419 31.823 -0.011 0.000 0.998 402 V HN 0.852 nan 8.190 nan 0.000 0.424 403 M N 5.424 125.009 119.600 -0.026 0.000 2.259 403 M HA 0.593 5.073 4.480 -0.000 0.000 0.304 403 M C -1.095 175.194 176.300 -0.017 0.000 1.019 403 M CA -0.508 54.803 55.300 0.019 0.000 0.922 403 M CB 1.634 34.212 32.600 -0.038 0.000 1.600 403 M HN 0.665 nan 8.290 nan 0.000 0.433 404 K N 4.351 124.778 120.400 0.046 0.000 2.426 404 K HA 0.259 4.579 4.320 -0.000 0.000 0.254 404 K C -0.910 175.752 176.600 0.103 0.000 0.936 404 K CA -0.239 56.014 56.287 -0.056 0.000 0.801 404 K CB 1.141 33.407 32.500 -0.389 0.000 1.139 404 K HN 0.840 nan 8.250 nan 0.000 0.424 405 D N 3.147 123.576 120.400 0.049 0.000 2.751 405 D HA -0.182 4.458 4.640 -0.000 0.000 0.233 405 D C 0.534 176.903 176.300 0.115 0.000 1.149 405 D CA 1.915 55.962 54.000 0.079 0.000 0.682 405 D CB -1.064 39.811 40.800 0.124 0.000 1.068 405 D HN 1.115 nan 8.370 nan 0.000 0.429 406 G N -0.293 108.567 108.800 0.099 0.000 2.143 406 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.248 406 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.248 406 G C 0.191 175.183 174.900 0.153 0.000 0.991 406 G CA 0.615 45.796 45.100 0.135 0.000 0.689 406 G HN 0.570 nan 8.290 nan 0.000 0.522 407 R N -0.909 119.678 120.500 0.145 0.000 2.686 407 R HA 0.673 5.013 4.340 -0.000 0.000 0.283 407 R C -0.160 176.194 176.300 0.090 0.000 0.978 407 R CA -1.075 55.090 56.100 0.108 0.000 0.897 407 R CB 1.594 31.946 30.300 0.086 0.000 1.192 407 R HN 0.124 nan 8.270 nan 0.000 0.457 408 L N 3.108 124.295 121.223 -0.059 0.000 2.278 408 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 408 L C 0.234 177.074 176.870 -0.049 0.000 1.072 408 L CA -0.006 54.822 54.840 -0.020 0.000 0.819 408 L CB 0.407 42.424 42.059 -0.070 0.000 1.176 408 L HN 0.690 nan 8.230 nan 0.000 0.435 409 F N 2.059 121.993 119.950 -0.026 0.000 2.505 409 F HA 0.168 4.695 4.527 -0.000 0.000 0.289 409 F C 0.676 176.474 175.800 -0.005 0.000 1.101 409 F CA 0.091 58.087 58.000 -0.007 0.000 1.446 409 F CB 0.743 39.738 39.000 -0.007 0.000 1.123 409 F HN 0.162 nan 8.300 nan 0.000 0.564 410 V N 0.410 120.419 119.914 0.159 0.000 2.760 410 V HA 0.411 4.531 4.120 -0.000 0.000 0.309 410 V C -1.305 174.818 176.094 0.050 0.000 1.077 410 V CA -0.740 61.608 62.300 0.080 0.000 0.910 410 V CB 2.045 33.908 31.823 0.066 0.000 1.008 410 V HN 0.146 nan 8.190 nan 0.000 0.424 411 N N 2.705 121.429 118.700 0.039 0.000 2.747 411 N HA 0.231 4.971 4.740 -0.000 0.000 0.262 411 N C 0.134 175.667 175.510 0.039 0.000 1.261 411 N CA -0.324 52.748 53.050 0.038 0.000 0.809 411 N CB 1.511 40.022 38.487 0.040 0.000 1.450 411 N HN 0.809 nan 8.380 nan 0.000 0.560 412 E N 3.055 123.275 120.200 0.032 0.000 2.476 412 E HA 0.136 4.486 4.350 -0.000 0.000 0.196 412 E C 0.986 177.607 176.600 0.035 0.000 1.029 412 E CA -0.254 56.163 56.400 0.029 0.000 0.896 412 E CB 0.419 30.129 29.700 0.017 0.000 1.012 412 E HN 0.461 nan 8.360 nan 0.000 0.475 413 L N 1.301 122.551 121.223 0.045 0.000 2.189 413 L HA -0.148 4.192 4.340 -0.000 0.000 0.214 413 L C 1.408 178.311 176.870 0.054 0.000 1.097 413 L CA 1.335 56.207 54.840 0.053 0.000 0.764 413 L CB -0.576 41.525 42.059 0.070 0.000 0.900 413 L HN 0.365 nan 8.230 nan 0.000 0.436 414 E N 0.000 120.234 120.200 0.057 0.000 2.725 414 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 414 E CA 0.000 56.431 56.400 0.052 0.000 0.976 414 E CB 0.000 29.737 29.700 0.061 0.000 0.812 414 E HN 0.000 nan 8.360 nan 0.000 0.440