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 3oe7_1_V DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.607 174.600 0.012 0.000 1.055 6 S CA 0.000 58.206 58.200 0.010 0.000 1.107 6 S CB 0.000 63.205 63.200 0.009 0.000 0.593 7 T N 2.585 117.148 114.554 0.015 0.000 2.864 7 T HA 0.700 5.050 4.350 0.000 0.000 0.299 7 T C -2.192 172.522 174.700 0.024 0.000 1.011 7 T CA -1.135 60.976 62.100 0.017 0.000 0.975 7 T CB 1.265 70.142 68.868 0.015 0.000 0.962 7 T HN 0.198 nan 8.240 nan 0.000 0.448 8 P HA 0.367 nan 4.420 nan 0.000 0.281 8 P C -0.358 176.976 177.300 0.057 0.000 1.274 8 P CA -0.566 62.559 63.100 0.040 0.000 0.794 8 P CB 0.634 32.359 31.700 0.041 0.000 1.201 9 I N -1.080 119.543 120.570 0.087 0.000 2.525 9 I HA 0.268 4.438 4.170 0.000 0.000 0.301 9 I C 0.408 176.623 176.117 0.163 0.000 0.992 9 I CA -0.499 60.882 61.300 0.135 0.000 1.162 9 I CB 1.734 39.840 38.000 0.177 0.000 1.332 9 I HN 0.224 nan 8.210 nan 0.000 0.458 10 T N 2.616 117.236 114.554 0.110 0.000 2.925 10 T HA 0.741 5.091 4.350 0.000 0.000 0.285 10 T C 0.057 174.602 174.700 -0.258 0.000 1.021 10 T CA -0.723 61.367 62.100 -0.017 0.000 1.042 10 T CB 1.923 70.769 68.868 -0.037 0.000 1.037 10 T HN 0.855 nan 8.240 nan 0.000 0.481 11 G N 0.644 109.145 108.800 -0.498 0.000 2.766 11 G HA2 0.706 4.666 3.960 0.000 0.000 0.288 11 G HA3 0.706 4.666 3.960 0.000 0.000 0.288 11 G C -1.744 172.897 174.900 -0.432 0.000 1.408 11 G CA -0.931 43.618 45.100 -0.918 0.000 0.852 11 G HN 0.552 nan 8.290 nan 0.000 0.487 12 K N 0.246 120.440 120.400 -0.343 0.000 2.471 12 K HA 0.463 4.783 4.320 0.000 0.000 0.252 12 K C -0.922 175.621 176.600 -0.096 0.000 0.938 12 K CA -0.688 55.500 56.287 -0.164 0.000 0.796 12 K CB 2.898 35.326 32.500 -0.120 0.000 1.161 12 K HN 0.248 nan 8.250 nan 0.000 0.425 13 V N 2.906 122.778 119.914 -0.070 0.000 2.521 13 V HA -0.009 4.111 4.120 0.000 0.000 0.286 13 V C 1.353 177.437 176.094 -0.017 0.000 1.034 13 V CA 0.567 62.849 62.300 -0.030 0.000 1.045 13 V CB 0.793 32.602 31.823 -0.025 0.000 0.974 13 V HN 1.013 nan 8.190 nan 0.000 0.480 14 T N 0.986 115.545 114.554 0.007 0.000 3.010 14 T HA 0.605 4.955 4.350 0.000 0.000 0.257 14 T C 0.244 174.948 174.700 0.008 0.000 1.020 14 T CA 0.424 62.527 62.100 0.006 0.000 0.938 14 T CB 0.512 69.397 68.868 0.028 0.000 1.049 14 T HN 0.987 nan 8.240 nan 0.000 0.522 15 A N 0.536 123.363 122.820 0.011 0.000 2.540 15 A HA 0.673 4.993 4.320 0.000 0.000 0.297 15 A C -1.485 176.103 177.584 0.007 0.000 1.056 15 A CA -0.675 51.368 52.037 0.009 0.000 0.700 15 A CB 1.783 20.792 19.000 0.014 0.000 1.280 15 A HN 0.320 nan 8.150 nan 0.000 0.398 16 V N 3.282 123.198 119.914 0.003 0.000 2.419 16 V HA 0.487 4.607 4.120 0.000 0.000 0.287 16 V C -0.831 175.264 176.094 0.002 0.000 1.017 16 V CA -0.001 62.301 62.300 0.003 0.000 0.844 16 V CB 0.958 32.781 31.823 -0.000 0.000 1.011 16 V HN 0.708 nan 8.190 nan 0.000 0.429 17 I N 4.177 124.749 120.570 0.003 0.000 2.468 17 I HA 0.685 4.855 4.170 0.000 0.000 0.284 17 I C 1.016 177.133 176.117 0.000 0.000 1.038 17 I CA 0.067 61.367 61.300 0.001 0.000 1.083 17 I CB 1.674 39.675 38.000 0.002 0.000 1.223 17 I HN 0.778 nan 8.210 nan 0.000 0.443 18 G N 5.002 113.802 108.800 -0.001 0.000 2.602 18 G HA2 -0.354 3.606 3.960 0.000 0.000 0.310 18 G HA3 -0.354 3.606 3.960 0.000 0.000 0.310 18 G C 0.763 175.662 174.900 -0.002 0.000 1.183 18 G CA 0.603 45.702 45.100 -0.003 0.000 0.979 18 G HN 0.908 nan 8.290 nan 0.000 0.545 19 A N -0.589 122.230 122.820 -0.003 0.000 2.348 19 A HA 0.614 4.934 4.320 0.000 0.000 0.224 19 A C 0.812 178.397 177.584 0.002 0.000 1.227 19 A CA 0.456 52.492 52.037 -0.001 0.000 0.885 19 A CB 0.127 19.124 19.000 -0.004 0.000 0.933 19 A HN 0.607 nan 8.150 nan 0.000 0.506 20 I N 1.580 122.151 120.570 0.002 0.000 2.325 20 I HA 0.303 4.473 4.170 0.000 0.000 0.291 20 I C -0.549 175.573 176.117 0.009 0.000 1.019 20 I CA -0.414 60.889 61.300 0.005 0.000 1.302 20 I CB 0.897 38.900 38.000 0.004 0.000 1.401 20 I HN -0.130 nan 8.210 nan 0.000 0.485 21 V N 5.843 125.765 119.914 0.013 0.000 2.495 21 V HA 0.370 4.490 4.120 0.000 0.000 0.298 21 V C -0.441 175.667 176.094 0.023 0.000 1.031 21 V CA -0.852 61.457 62.300 0.016 0.000 0.871 21 V CB 2.271 34.105 31.823 0.018 0.000 0.988 21 V HN 0.553 nan 8.190 nan 0.000 0.432 22 D N 3.260 123.675 120.400 0.024 0.000 2.198 22 D HA 0.561 5.201 4.640 0.000 0.000 0.245 22 D C -0.511 175.815 176.300 0.044 0.000 1.079 22 D CA -0.031 53.989 54.000 0.033 0.000 0.854 22 D CB 2.120 42.940 40.800 0.033 0.000 1.148 22 D HN 0.255 nan 8.370 nan 0.000 0.456 23 V N 2.639 122.592 119.914 0.066 0.000 2.540 23 V HA 0.206 4.326 4.120 0.000 0.000 0.302 23 V C -0.224 175.937 176.094 0.112 0.000 1.035 23 V CA -0.830 61.512 62.300 0.070 0.000 0.873 23 V CB 2.111 34.002 31.823 0.115 0.000 0.992 23 V HN 0.549 nan 8.190 nan 0.000 0.428 24 H N 3.699 122.728 119.070 -0.067 0.000 2.459 24 H HA 0.618 5.174 4.556 0.000 0.000 0.332 24 H C -1.537 173.690 175.328 -0.169 0.000 1.094 24 H CA -0.210 55.818 56.048 -0.033 0.000 1.224 24 H CB 1.421 31.155 29.762 -0.046 0.000 1.449 24 H HN 0.504 nan 8.280 nan 0.000 0.484 25 F N 1.296 121.151 119.950 -0.159 0.000 2.746 25 F HA 0.242 4.769 4.527 0.000 0.000 0.378 25 F C 0.952 176.748 175.800 -0.007 0.000 1.165 25 F CA -0.716 57.257 58.000 -0.044 0.000 1.089 25 F CB 0.848 39.790 39.000 -0.097 0.000 1.439 25 F HN 0.474 nan 8.300 nan 0.000 0.516 26 E N -0.256 120.099 120.200 0.258 0.000 4.111 26 E HA 0.195 4.545 4.350 0.000 0.000 0.312 26 E C -1.013 175.647 176.600 0.100 0.000 1.208 26 E CA -0.493 55.998 56.400 0.152 0.000 1.785 26 E CB -0.033 29.742 29.700 0.125 0.000 1.660 26 E HN 0.287 nan 8.360 nan 0.000 0.734 27 Q N 0.367 120.211 119.800 0.073 0.000 2.274 27 Q HA 0.193 4.533 4.340 0.000 0.000 0.256 27 Q C -0.120 175.900 176.000 0.033 0.000 0.927 27 Q CA 0.589 56.419 55.803 0.046 0.000 0.939 27 Q CB 0.759 29.522 28.738 0.041 0.000 1.201 27 Q HN 0.659 nan 8.270 nan 0.000 0.426 28 S N 1.610 117.322 115.700 0.020 0.000 3.017 28 S HA -0.343 4.127 4.470 0.000 0.000 0.283 28 S C 0.390 174.989 174.600 -0.002 0.000 1.304 28 S CA 1.899 60.105 58.200 0.009 0.000 1.224 28 S CB -1.892 61.313 63.200 0.009 0.000 1.480 28 S HN 0.863 nan 8.310 nan 0.000 0.698 29 E N 0.949 121.149 120.200 0.000 0.000 2.423 29 E HA 0.508 4.858 4.350 0.000 0.000 0.198 29 E C 0.252 176.777 176.600 -0.125 0.000 1.038 29 E CA -0.703 55.685 56.400 -0.020 0.000 1.011 29 E CB -0.008 29.712 29.700 0.034 0.000 1.118 29 E HN 0.711 nan 8.360 nan 0.000 0.451 30 L N 2.875 124.007 121.223 -0.152 0.000 2.410 30 L HA 0.260 4.600 4.340 0.000 0.000 0.273 30 L C -1.710 174.984 176.870 -0.293 0.000 1.152 30 L CA -1.854 52.783 54.840 -0.337 0.000 0.855 30 L CB -0.227 41.727 42.059 -0.175 0.000 1.129 30 L HN 0.097 nan 8.230 nan 0.000 0.463 31 P HA 0.157 nan 4.420 nan 0.000 0.275 31 P C -0.533 176.727 177.300 -0.066 0.000 1.228 31 P CA -0.482 62.455 63.100 -0.271 0.000 0.786 31 P CB 0.934 32.426 31.700 -0.347 0.000 0.927 32 A N 3.627 126.432 122.820 -0.025 0.000 2.483 32 A HA 0.181 4.501 4.320 0.000 0.000 0.238 32 A C 0.667 178.267 177.584 0.027 0.000 1.070 32 A CA -0.416 51.629 52.037 0.014 0.000 0.770 32 A CB -0.599 18.385 19.000 -0.027 0.000 1.008 32 A HN 0.542 nan 8.150 nan 0.000 0.497 33 I N 1.743 122.333 120.570 0.035 0.000 2.662 33 I HA 0.018 4.188 4.170 0.000 0.000 0.285 33 I C 0.736 176.818 176.117 -0.059 0.000 1.161 33 I CA 0.761 62.065 61.300 0.007 0.000 1.415 33 I CB -0.036 37.961 38.000 -0.006 0.000 1.385 33 I HN 0.744 nan 8.210 nan 0.000 0.552 34 L N 2.667 123.849 121.223 -0.070 0.000 1.945 34 L HA -0.175 4.165 4.340 0.000 0.000 0.488 34 L C 0.181 177.039 176.870 -0.020 0.000 0.750 34 L CA -0.142 54.620 54.840 -0.132 0.000 2.621 34 L CB -1.046 40.851 42.059 -0.269 0.000 1.041 34 L HN 0.632 nan 8.230 nan 0.000 0.605 35 N N 1.360 120.057 118.700 -0.006 0.000 2.381 35 N HA 0.431 5.171 4.740 0.000 0.000 0.241 35 N C 0.282 175.814 175.510 0.038 0.000 1.279 35 N CA 0.919 53.978 53.050 0.015 0.000 0.896 35 N CB 0.627 39.107 38.487 -0.012 0.000 1.118 35 N HN 0.294 nan 8.380 nan 0.000 0.438 36 A N 1.813 124.659 122.820 0.044 0.000 2.260 36 A HA 0.535 4.855 4.320 0.000 0.000 0.308 36 A C -0.373 177.240 177.584 0.048 0.000 1.254 36 A CA -0.547 51.519 52.037 0.049 0.000 0.874 36 A CB -0.093 18.934 19.000 0.046 0.000 1.153 36 A HN 0.562 nan 8.150 nan 0.000 0.527 37 L N 2.318 123.575 121.223 0.056 0.000 2.334 37 L HA 0.570 4.910 4.340 0.000 0.000 0.276 37 L C -0.009 176.896 176.870 0.058 0.000 1.014 37 L CA -0.408 54.476 54.840 0.074 0.000 0.815 37 L CB 1.891 44.013 42.059 0.105 0.000 1.268 37 L HN 0.731 nan 8.230 nan 0.000 0.428 38 E N 3.223 123.456 120.200 0.054 0.000 2.266 38 E HA 0.655 5.005 4.350 0.000 0.000 0.268 38 E C -1.311 175.306 176.600 0.027 0.000 0.879 38 E CA -0.677 55.744 56.400 0.036 0.000 0.762 38 E CB 3.261 32.979 29.700 0.030 0.000 1.199 38 E HN 0.406 nan 8.360 nan 0.000 0.422 39 I N 1.965 122.546 120.570 0.018 0.000 2.498 39 I HA 0.300 4.470 4.170 0.000 0.000 0.290 39 I C -0.348 175.773 176.117 0.006 0.000 1.032 39 I CA -0.795 60.510 61.300 0.008 0.000 1.073 39 I CB 1.901 39.903 38.000 0.003 0.000 1.251 39 I HN 0.170 nan 8.210 nan 0.000 0.426 40 K N 5.030 125.432 120.400 0.002 0.000 2.227 40 K HA 0.489 4.809 4.320 0.000 0.000 0.280 40 K C -0.231 176.368 176.600 -0.001 0.000 1.041 40 K CA -0.225 56.063 56.287 0.002 0.000 0.905 40 K CB 1.028 33.529 32.500 0.001 0.000 1.068 40 K HN 0.814 nan 8.250 nan 0.000 0.470 41 T N 0.658 115.212 114.554 0.000 0.000 2.870 41 T HA 0.385 4.735 4.350 0.000 0.000 0.277 41 T C -1.440 173.259 174.700 -0.001 0.000 1.000 41 T CA -1.364 60.736 62.100 -0.001 0.000 0.982 41 T CB 0.767 69.635 68.868 -0.000 0.000 1.249 41 T HN 0.372 nan 8.240 nan 0.000 0.589 42 P HA -0.111 nan 4.420 nan 0.000 0.214 42 P C 1.386 178.686 177.300 -0.001 0.000 1.163 42 P CA 1.354 64.453 63.100 -0.002 0.000 0.889 42 P CB 0.140 31.839 31.700 -0.002 0.000 0.790 43 Q N -0.781 119.019 119.800 -0.000 0.000 1.940 43 Q HA 0.152 4.492 4.340 0.000 0.000 0.200 43 Q C 1.987 177.987 176.000 0.001 0.000 0.977 43 Q CA 1.431 57.234 55.803 0.000 0.000 0.841 43 Q CB -0.652 28.086 28.738 0.000 0.000 0.901 43 Q HN 0.243 nan 8.270 nan 0.000 0.446 44 G N 0.417 109.218 108.800 0.002 0.000 3.110 44 G HA2 0.369 4.329 3.960 0.000 0.000 0.207 44 G HA3 0.369 4.329 3.960 0.000 0.000 0.207 44 G C -1.070 173.832 174.900 0.003 0.000 1.841 44 G CA -0.406 44.696 45.100 0.002 0.000 0.751 44 G HN 0.227 nan 8.290 nan 0.000 0.771 45 K N -0.279 120.124 120.400 0.005 0.000 2.588 45 K HA 0.563 4.883 4.320 0.000 0.000 0.250 45 K C -1.605 175.000 176.600 0.009 0.000 0.972 45 K CA -0.777 55.514 56.287 0.007 0.000 0.821 45 K CB 2.192 34.696 32.500 0.008 0.000 1.249 45 K HN 0.384 nan 8.250 nan 0.000 0.442 46 L N 3.202 124.430 121.223 0.009 0.000 2.319 46 L HA 0.352 4.692 4.340 0.000 0.000 0.280 46 L C -0.930 175.950 176.870 0.015 0.000 1.099 46 L CA 0.030 54.877 54.840 0.011 0.000 0.828 46 L CB 1.239 43.303 42.059 0.008 0.000 1.150 46 L HN 0.572 nan 8.230 nan 0.000 0.442 47 V N 6.169 126.094 119.914 0.018 0.000 2.612 47 V HA 0.539 4.659 4.120 0.000 0.000 0.301 47 V C 0.190 176.301 176.094 0.028 0.000 1.046 47 V CA -0.683 61.631 62.300 0.024 0.000 0.946 47 V CB 1.566 33.404 31.823 0.024 0.000 1.003 47 V HN 0.710 nan 8.190 nan 0.000 0.459 48 L N 2.625 123.869 121.223 0.036 0.000 2.333 48 L HA 0.717 5.057 4.340 0.000 0.000 0.263 48 L C -0.537 176.360 176.870 0.046 0.000 1.014 48 L CA -0.504 54.359 54.840 0.039 0.000 0.820 48 L CB 2.383 44.468 42.059 0.044 0.000 1.352 48 L HN 0.699 nan 8.230 nan 0.000 0.421 49 E N 0.756 120.982 120.200 0.044 0.000 2.256 49 E HA 0.446 4.796 4.350 0.000 0.000 0.268 49 E C -1.478 175.141 176.600 0.032 0.000 0.877 49 E CA -0.737 55.691 56.400 0.047 0.000 0.757 49 E CB 2.447 32.189 29.700 0.069 0.000 1.183 49 E HN 0.320 nan 8.360 nan 0.000 0.418 50 V N 3.189 123.115 119.914 0.020 0.000 2.655 50 V HA 0.254 4.374 4.120 0.000 0.000 0.300 50 V C 0.831 176.930 176.094 0.009 0.000 1.044 50 V CA 0.952 63.257 62.300 0.008 0.000 1.095 50 V CB 0.884 32.702 31.823 -0.008 0.000 0.952 50 V HN 0.874 nan 8.190 nan 0.000 0.485 51 A N 3.548 126.378 122.820 0.016 0.000 2.242 51 A HA 0.388 4.708 4.320 0.000 0.000 0.205 51 A C 0.564 178.167 177.584 0.032 0.000 1.353 51 A CA 0.069 52.114 52.037 0.014 0.000 1.005 51 A CB 0.508 19.514 19.000 0.008 0.000 1.127 51 A HN 0.759 nan 8.150 nan 0.000 0.498 52 Q N -0.804 119.029 119.800 0.056 0.000 2.482 52 Q HA 0.362 4.702 4.340 0.000 0.000 0.286 52 Q C -1.705 174.386 176.000 0.153 0.000 1.007 52 Q CA -0.641 55.215 55.803 0.089 0.000 0.801 52 Q CB 1.867 30.634 28.738 0.048 0.000 1.455 52 Q HN 0.592 nan 8.270 nan 0.000 0.398 53 H N 2.162 121.213 119.070 -0.031 0.000 2.638 53 H HA 0.247 4.803 4.556 0.000 0.000 0.303 53 H C 0.451 175.766 175.328 -0.021 0.000 1.034 53 H CA -0.149 55.879 56.048 -0.034 0.000 1.225 53 H CB 1.053 30.788 29.762 -0.046 0.000 1.394 53 H HN 0.461 nan 8.280 nan 0.000 0.477 54 L N 2.684 123.936 121.223 0.047 0.000 2.465 54 L HA 0.057 4.397 4.340 0.000 0.000 0.224 54 L C 1.206 178.096 176.870 0.033 0.000 1.145 54 L CA 0.787 55.647 54.840 0.034 0.000 0.834 54 L CB 0.020 42.090 42.059 0.018 0.000 0.944 54 L HN 0.900 nan 8.230 nan 0.000 0.451 55 G N -0.288 108.533 108.800 0.034 0.000 2.661 55 G HA2 -0.185 3.775 3.960 0.000 0.000 0.685 55 G HA3 -0.185 3.775 3.960 0.000 0.000 0.685 55 G C -0.044 174.856 174.900 0.000 0.000 1.298 55 G CA -0.460 44.657 45.100 0.027 0.000 0.855 55 G HN 0.250 nan 8.290 nan 0.000 0.560 56 E N 0.221 120.424 120.200 0.006 0.000 2.269 56 E HA -0.264 4.086 4.350 0.000 0.000 0.223 56 E C 0.827 177.372 176.600 -0.092 0.000 1.244 56 E CA 0.743 57.145 56.400 0.004 0.000 0.713 56 E CB -0.972 28.758 29.700 0.050 0.000 1.178 56 E HN 1.093 nan 8.360 nan 0.000 0.370 57 N N -1.741 116.881 118.700 -0.130 0.000 2.741 57 N HA -0.153 4.587 4.740 0.000 0.000 0.251 57 N C -0.753 174.525 175.510 -0.386 0.000 1.112 57 N CA 1.910 54.809 53.050 -0.252 0.000 0.750 57 N CB -1.363 36.957 38.487 -0.278 0.000 1.119 57 N HN 0.287 nan 8.380 nan 0.000 0.561 58 T N 0.038 114.449 114.554 -0.238 0.000 2.829 58 T HA 0.648 4.998 4.350 0.000 0.000 0.280 58 T C 0.479 175.104 174.700 -0.124 0.000 0.999 58 T CA -0.691 61.326 62.100 -0.138 0.000 0.983 58 T CB 2.590 71.439 68.868 -0.032 0.000 0.968 58 T HN 0.128 nan 8.240 nan 0.000 0.446 59 V N 1.298 121.160 119.914 -0.086 0.000 2.628 59 V HA 0.730 4.850 4.120 0.000 0.000 0.306 59 V C -0.302 175.777 176.094 -0.026 0.000 1.045 59 V CA -1.405 60.815 62.300 -0.134 0.000 0.905 59 V CB 1.731 33.409 31.823 -0.242 0.000 0.997 59 V HN 0.825 nan 8.190 nan 0.000 0.436 60 R N 2.373 122.863 120.500 -0.017 0.000 2.255 60 R HA 0.669 5.009 4.340 0.000 0.000 0.326 60 R C 0.023 176.331 176.300 0.012 0.000 0.986 60 R CA 0.205 56.310 56.100 0.008 0.000 0.847 60 R CB 1.258 31.565 30.300 0.012 0.000 1.111 60 R HN 1.146 nan 8.270 nan 0.000 0.452 61 T N 1.477 116.043 114.554 0.020 0.000 2.942 61 T HA 0.582 4.932 4.350 0.000 0.000 0.289 61 T C 0.094 174.805 174.700 0.018 0.000 1.044 61 T CA -0.857 61.257 62.100 0.023 0.000 1.023 61 T CB 1.215 70.104 68.868 0.036 0.000 1.123 61 T HN 0.413 nan 8.240 nan 0.000 0.512 62 I N 1.366 121.947 120.570 0.019 0.000 2.433 62 I HA 0.609 4.779 4.170 0.000 0.000 0.292 62 I C 0.542 176.669 176.117 0.018 0.000 1.001 62 I CA -1.369 59.939 61.300 0.013 0.000 1.119 62 I CB 1.735 39.739 38.000 0.007 0.000 1.289 62 I HN 0.929 nan 8.210 nan 0.000 0.438 63 A N 6.662 129.490 122.820 0.013 0.000 2.340 63 A HA 0.528 4.848 4.320 0.000 0.000 0.268 63 A C 0.669 178.261 177.584 0.014 0.000 1.100 63 A CA -0.374 51.672 52.037 0.015 0.000 0.803 63 A CB 0.516 19.523 19.000 0.011 0.000 1.043 63 A HN 0.771 nan 8.150 nan 0.000 0.488 64 M N 0.714 120.325 119.600 0.017 0.000 2.428 64 M HA 0.251 4.731 4.480 0.000 0.000 0.239 64 M C -0.034 176.274 176.300 0.014 0.000 1.121 64 M CA 0.486 55.796 55.300 0.017 0.000 1.019 64 M CB -0.980 31.633 32.600 0.021 0.000 1.485 64 M HN 0.735 nan 8.290 nan 0.000 0.484 65 D N -0.883 119.524 120.400 0.011 0.000 2.759 65 D HA 0.421 5.061 4.640 0.000 0.000 0.321 65 D C -0.601 175.702 176.300 0.006 0.000 1.267 65 D CA -0.256 53.750 54.000 0.009 0.000 0.933 65 D CB 2.078 42.883 40.800 0.009 0.000 1.431 65 D HN 0.142 nan 8.370 nan 0.000 0.504 66 G N -0.594 108.208 108.800 0.004 0.000 2.432 66 G HA2 0.295 4.255 3.960 0.000 0.000 0.239 66 G HA3 0.295 4.255 3.960 0.000 0.000 0.239 66 G C 0.759 175.660 174.900 0.003 0.000 1.291 66 G CA 0.377 45.479 45.100 0.003 0.000 0.863 66 G HN 0.345 nan 8.290 nan 0.000 0.560 67 T N -0.959 113.596 114.554 0.002 0.000 3.223 67 T HA 0.151 4.502 4.350 0.000 0.000 0.259 67 T C 0.647 175.347 174.700 -0.000 0.000 1.015 67 T CA -0.244 61.857 62.100 0.002 0.000 0.908 67 T CB -0.077 68.793 68.868 0.002 0.000 1.054 67 T HN 0.632 nan 8.240 nan 0.000 0.567 68 E N 1.334 121.534 120.200 -0.000 0.000 2.328 68 E HA 0.346 4.696 4.350 0.000 0.000 0.265 68 E C 1.021 177.620 176.600 -0.002 0.000 1.057 68 E CA 0.513 56.913 56.400 -0.001 0.000 0.916 68 E CB 0.279 29.979 29.700 -0.001 0.000 0.993 68 E HN 0.476 nan 8.360 nan 0.000 0.446 69 G N 3.249 112.047 108.800 -0.003 0.000 2.238 69 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 69 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 69 G C 0.230 175.127 174.900 -0.005 0.000 0.996 69 G CA -0.109 44.989 45.100 -0.004 0.000 0.632 69 G HN 0.506 nan 8.290 nan 0.000 0.503 70 L N 1.621 122.841 121.223 -0.004 0.000 2.490 70 L HA 0.437 4.777 4.340 0.000 0.000 0.274 70 L C 0.591 177.456 176.870 -0.008 0.000 1.201 70 L CA -0.041 54.796 54.840 -0.006 0.000 0.869 70 L CB 1.071 43.128 42.059 -0.004 0.000 1.123 70 L HN 0.065 nan 8.230 nan 0.000 0.484 71 V N 4.240 124.148 119.914 -0.011 0.000 2.715 71 V HA 0.389 4.509 4.120 0.000 0.000 0.310 71 V C 0.097 176.181 176.094 -0.018 0.000 1.054 71 V CA -0.983 61.309 62.300 -0.014 0.000 0.928 71 V CB 1.927 33.741 31.823 -0.015 0.000 1.007 71 V HN 0.646 nan 8.190 nan 0.000 0.437 72 R N 2.081 122.570 120.500 -0.019 0.000 2.421 72 R HA 0.456 4.796 4.340 0.000 0.000 0.305 72 R C 1.092 177.372 176.300 -0.033 0.000 1.039 72 R CA 0.959 57.045 56.100 -0.025 0.000 1.003 72 R CB 0.221 30.507 30.300 -0.023 0.000 0.959 72 R HN 1.195 nan 8.270 nan 0.000 0.427 73 G N 2.088 110.863 108.800 -0.042 0.000 2.175 73 G HA2 -0.243 3.717 3.960 0.000 0.000 0.182 73 G HA3 -0.243 3.717 3.960 0.000 0.000 0.182 73 G C -0.039 174.830 174.900 -0.052 0.000 1.003 73 G CA -0.376 44.693 45.100 -0.052 0.000 0.666 73 G HN 0.584 nan 8.290 nan 0.000 0.506 74 E N 1.035 121.208 120.200 -0.046 0.000 2.338 74 E HA 0.445 4.795 4.350 0.000 0.000 0.272 74 E C 0.387 176.953 176.600 -0.058 0.000 1.029 74 E CA -0.564 55.811 56.400 -0.042 0.000 0.872 74 E CB 0.367 30.049 29.700 -0.030 0.000 1.015 74 E HN 0.236 nan 8.360 nan 0.000 0.417 75 K N 2.607 122.975 120.400 -0.053 0.000 2.402 75 K HA 0.097 4.417 4.320 0.000 0.000 0.285 75 K C -0.973 175.593 176.600 -0.057 0.000 1.054 75 K CA -0.144 56.105 56.287 -0.064 0.000 1.001 75 K CB 0.687 33.160 32.500 -0.045 0.000 0.946 75 K HN 0.233 nan 8.250 nan 0.000 0.473 76 V N 5.511 125.371 119.914 -0.091 0.000 2.370 76 V HA 0.214 4.334 4.120 0.000 0.000 0.283 76 V C -0.333 175.756 176.094 -0.008 0.000 1.023 76 V CA -0.982 61.289 62.300 -0.049 0.000 0.857 76 V CB 1.196 32.981 31.823 -0.062 0.000 0.985 76 V HN 0.539 nan 8.190 nan 0.000 0.443 77 L N 4.021 125.272 121.223 0.046 0.000 2.334 77 L HA 0.628 4.968 4.340 0.000 0.000 0.277 77 L C -0.233 176.719 176.870 0.136 0.000 1.075 77 L CA 0.259 55.147 54.840 0.080 0.000 0.804 77 L CB 1.468 43.556 42.059 0.049 0.000 1.174 77 L HN 0.726 nan 8.230 nan 0.000 0.438 78 D N 1.027 121.523 120.400 0.159 0.000 2.177 78 D HA 0.314 4.954 4.640 0.000 0.000 0.247 78 D C 0.191 176.531 176.300 0.066 0.000 1.063 78 D CA 0.049 54.121 54.000 0.120 0.000 0.867 78 D CB 1.461 42.327 40.800 0.110 0.000 1.168 78 D HN 0.647 nan 8.370 nan 0.000 0.445 79 T N 0.761 115.343 114.554 0.046 0.000 3.248 79 T HA 0.499 4.849 4.350 0.000 0.000 0.271 79 T C 1.223 175.936 174.700 0.022 0.000 1.005 79 T CA 0.296 62.416 62.100 0.032 0.000 0.902 79 T CB -0.072 68.814 68.868 0.030 0.000 1.102 79 T HN 0.593 nan 8.240 nan 0.000 0.548 80 G N 0.973 109.782 108.800 0.016 0.000 5.426 80 G HA2 -0.092 3.868 3.960 0.000 0.000 0.297 80 G HA3 -0.092 3.868 3.960 0.000 0.000 0.297 80 G C 0.522 175.424 174.900 0.003 0.000 1.422 80 G CA -0.059 45.045 45.100 0.007 0.000 0.938 80 G HN 1.222 nan 8.290 nan 0.000 0.754 81 G N 0.751 109.558 108.800 0.012 0.000 3.212 81 G HA2 0.774 4.734 3.960 0.000 0.000 0.188 81 G HA3 0.774 4.734 3.960 0.000 0.000 0.188 81 G C -2.763 172.158 174.900 0.035 0.000 1.254 81 G CA -0.061 45.050 45.100 0.018 0.000 0.957 81 G HN 0.638 nan 8.290 nan 0.000 0.596 82 P HA 0.253 nan 4.420 nan 0.000 0.282 82 P C -0.148 177.201 177.300 0.082 0.000 1.286 82 P CA -0.456 62.712 63.100 0.113 0.000 0.777 82 P CB 0.588 32.415 31.700 0.212 0.000 1.184 83 I N 0.193 120.818 120.570 0.091 0.000 2.578 83 I HA -0.011 4.159 4.170 0.000 0.000 0.286 83 I C 0.662 176.779 176.117 -0.000 0.000 1.126 83 I CA 0.662 61.983 61.300 0.034 0.000 1.380 83 I CB -0.377 37.636 38.000 0.021 0.000 1.408 83 I HN 0.161 nan 8.210 nan 0.000 0.532 84 S N 5.994 121.693 115.700 -0.002 0.000 2.513 84 S HA 0.478 4.948 4.470 0.000 0.000 0.276 84 S C -0.206 174.376 174.600 -0.030 0.000 1.254 84 S CA -0.697 57.493 58.200 -0.017 0.000 1.053 84 S CB 1.188 64.380 63.200 -0.012 0.000 0.958 84 S HN 0.465 nan 8.310 nan 0.000 0.491 85 V N 2.257 122.144 119.914 -0.045 0.000 2.735 85 V HA 0.733 4.853 4.120 0.000 0.000 0.310 85 V C -2.780 173.269 176.094 -0.075 0.000 1.061 85 V CA -2.890 59.378 62.300 -0.053 0.000 0.913 85 V CB 1.575 33.364 31.823 -0.055 0.000 1.005 85 V HN 0.583 nan 8.190 nan 0.000 0.428 86 P HA 0.349 nan 4.420 nan 0.000 0.271 86 P C -0.460 176.739 177.300 -0.169 0.000 1.218 86 P CA 0.125 63.156 63.100 -0.116 0.000 0.780 86 P CB 1.416 33.062 31.700 -0.090 0.000 0.901 87 V N -1.991 117.755 119.914 -0.281 0.000 3.130 87 V HA 0.973 5.093 4.120 0.000 0.000 0.310 87 V C 0.117 175.814 176.094 -0.661 0.000 1.158 87 V CA -0.146 61.877 62.300 -0.462 0.000 1.029 87 V CB 1.148 32.643 31.823 -0.546 0.000 1.057 87 V HN 1.033 nan 8.190 nan 0.000 0.436 88 G N 1.783 110.059 108.800 -0.874 0.000 2.466 88 G HA2 -0.089 3.871 3.960 0.000 0.000 0.316 88 G HA3 -0.089 3.871 3.960 0.000 0.000 0.316 88 G C 0.117 174.827 174.900 -0.317 0.000 1.270 88 G CA -0.026 44.601 45.100 -0.788 0.000 0.982 88 G HN 0.901 nan 8.290 nan 0.000 0.506 89 R N 0.406 120.812 120.500 -0.156 0.000 2.241 89 R HA -0.017 4.323 4.340 0.000 0.000 0.224 89 R C 2.086 178.387 176.300 0.001 0.000 1.101 89 R CA 1.534 57.622 56.100 -0.020 0.000 0.995 89 R CB -0.246 30.057 30.300 0.005 0.000 0.870 89 R HN 0.626 nan 8.270 nan 0.000 0.463 90 E N -0.110 120.064 120.200 -0.043 0.000 2.158 90 E HA -0.072 4.278 4.350 0.000 0.000 0.191 90 E C 1.887 178.489 176.600 0.003 0.000 0.982 90 E CA 1.601 57.989 56.400 -0.021 0.000 0.823 90 E CB -0.263 29.407 29.700 -0.050 0.000 0.766 90 E HN 0.429 nan 8.360 nan 0.000 0.468 91 T N -0.554 114.000 114.554 -0.000 0.000 2.962 91 T HA -0.015 4.335 4.350 0.000 0.000 0.270 91 T C 1.302 176.051 174.700 0.082 0.000 1.088 91 T CA 0.107 62.225 62.100 0.031 0.000 1.127 91 T CB -0.405 68.474 68.868 0.018 0.000 0.883 91 T HN -0.056 nan 8.240 nan 0.000 0.493 92 L N 1.685 122.972 121.223 0.106 0.000 2.490 92 L HA 0.434 4.774 4.340 0.000 0.000 0.274 92 L C 1.835 178.766 176.870 0.101 0.000 1.201 92 L CA 0.774 55.678 54.840 0.108 0.000 0.869 92 L CB -0.092 42.032 42.059 0.108 0.000 1.123 92 L HN 0.493 nan 8.230 nan 0.000 0.484 93 G N 1.420 110.289 108.800 0.115 0.000 2.267 93 G HA2 -0.227 3.733 3.960 0.000 0.000 0.257 93 G HA3 -0.227 3.733 3.960 0.000 0.000 0.257 93 G C 0.470 175.462 174.900 0.154 0.000 0.998 93 G CA -0.266 44.914 45.100 0.134 0.000 0.620 93 G HN 0.483 nan 8.290 nan 0.000 0.529 94 R N 0.048 120.612 120.500 0.106 0.000 2.573 94 R HA 0.719 5.059 4.340 0.000 0.000 0.272 94 R C 0.220 176.545 176.300 0.042 0.000 1.009 94 R CA -0.845 55.298 56.100 0.071 0.000 1.059 94 R CB 0.679 31.006 30.300 0.045 0.000 1.112 94 R HN 0.324 nan 8.270 nan 0.000 0.517 95 I N 2.736 123.297 120.570 -0.014 0.000 2.355 95 I HA 0.315 4.485 4.170 0.000 0.000 0.288 95 I C -0.136 175.990 176.117 0.015 0.000 0.999 95 I CA -0.646 60.648 61.300 -0.010 0.000 1.163 95 I CB 1.042 38.976 38.000 -0.109 0.000 1.316 95 I HN 0.255 nan 8.210 nan 0.000 0.454 96 I N 6.283 126.872 120.570 0.033 0.000 2.577 96 I HA 0.363 4.533 4.170 0.000 0.000 0.305 96 I C 0.336 176.480 176.117 0.044 0.000 0.986 96 I CA -0.365 60.948 61.300 0.023 0.000 1.189 96 I CB 1.050 39.053 38.000 0.006 0.000 1.355 96 I HN 0.633 nan 8.210 nan 0.000 0.476 97 N N 3.314 122.034 118.700 0.034 0.000 2.776 97 N HA 0.196 4.936 4.740 0.000 0.000 0.319 97 N C 0.781 176.304 175.510 0.022 0.000 1.316 97 N CA -0.651 52.426 53.050 0.045 0.000 0.890 97 N CB 0.171 38.684 38.487 0.043 0.000 1.165 97 N HN 0.375 nan 8.380 nan 0.000 0.596 98 V N -0.043 119.886 119.914 0.024 0.000 2.287 98 V HA -0.139 3.981 4.120 0.000 0.000 0.248 98 V C 1.687 177.780 176.094 -0.001 0.000 1.053 98 V CA 2.014 64.320 62.300 0.011 0.000 1.027 98 V CB -0.781 31.054 31.823 0.019 0.000 0.646 98 V HN 0.626 nan 8.190 nan 0.000 0.447 99 I N -1.207 119.365 120.570 0.004 0.000 3.806 99 I HA 0.494 4.664 4.170 0.000 0.000 0.321 99 I C 1.254 177.368 176.117 -0.005 0.000 1.315 99 I CA 0.512 61.812 61.300 0.001 0.000 1.148 99 I CB -0.716 37.288 38.000 0.008 0.000 1.028 99 I HN 0.372 nan 8.210 nan 0.000 0.415 100 G N 1.276 110.071 108.800 -0.009 0.000 2.198 100 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 100 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 100 G C -0.219 174.675 174.900 -0.010 0.000 1.042 100 G CA -0.055 45.036 45.100 -0.015 0.000 0.791 100 G HN 0.664 nan 8.290 nan 0.000 0.502 101 E N 0.829 121.028 120.200 -0.002 0.000 2.191 101 E HA 0.424 4.774 4.350 0.000 0.000 0.274 101 E C -2.292 174.309 176.600 0.002 0.000 0.948 101 E CA -2.132 54.268 56.400 -0.001 0.000 0.802 101 E CB 2.113 31.814 29.700 0.002 0.000 1.137 101 E HN 0.167 nan 8.360 nan 0.000 0.397 102 P HA 0.072 nan 4.420 nan 0.000 0.275 102 P C 0.137 177.434 177.300 -0.005 0.000 1.227 102 P CA 0.312 63.411 63.100 -0.002 0.000 0.781 102 P CB 0.575 32.274 31.700 -0.002 0.000 0.906 103 I N -1.229 119.333 120.570 -0.014 0.000 4.442 103 I HA 0.190 4.360 4.170 0.000 0.000 0.331 103 I C 0.608 176.694 176.117 -0.051 0.000 1.364 103 I CA -0.187 61.099 61.300 -0.024 0.000 1.207 103 I CB 0.119 38.110 38.000 -0.015 0.000 1.298 103 I HN 0.071 nan 8.210 nan 0.000 0.463 104 D N 1.533 121.899 120.400 -0.058 0.000 2.325 104 D HA -0.032 4.608 4.640 0.000 0.000 0.225 104 D C 0.526 176.825 176.300 -0.002 0.000 1.096 104 D CA 0.036 53.997 54.000 -0.066 0.000 0.844 104 D CB -0.109 40.633 40.800 -0.098 0.000 0.925 104 D HN 0.533 nan 8.370 nan 0.000 0.513 105 E N -0.435 119.763 120.200 -0.003 0.000 3.426 105 E HA -0.282 4.068 4.350 0.000 0.000 0.291 105 E C 0.549 177.160 176.600 0.017 0.000 0.898 105 E CA 0.613 57.018 56.400 0.008 0.000 0.970 105 E CB -1.089 28.618 29.700 0.012 0.000 1.489 105 E HN 0.373 nan 8.360 nan 0.000 0.461 106 R N 0.443 120.957 120.500 0.023 0.000 2.547 106 R HA 0.199 4.539 4.340 0.000 0.000 0.258 106 R C 1.037 177.349 176.300 0.020 0.000 1.115 106 R CA 0.479 56.597 56.100 0.030 0.000 1.152 106 R CB 0.285 30.613 30.300 0.047 0.000 1.221 106 R HN 0.356 nan 8.270 nan 0.000 0.539 107 G N 1.605 110.413 108.800 0.013 0.000 2.481 107 G HA2 -0.242 3.718 3.960 0.000 0.000 0.230 107 G HA3 -0.242 3.718 3.960 0.000 0.000 0.230 107 G C -2.578 172.325 174.900 0.005 0.000 1.210 107 G CA -0.782 44.324 45.100 0.009 0.000 0.936 107 G HN 0.255 nan 8.290 nan 0.000 0.583 108 P HA 0.745 nan 4.420 nan 0.000 0.285 108 P C -0.616 176.682 177.300 -0.003 0.000 1.285 108 P CA -0.839 62.260 63.100 -0.001 0.000 0.854 108 P CB 1.176 32.875 31.700 -0.003 0.000 1.180 109 I N 1.061 121.626 120.570 -0.009 0.000 2.339 109 I HA 0.290 4.460 4.170 0.000 0.000 0.290 109 I C 0.786 176.889 176.117 -0.024 0.000 0.994 109 I CA -0.449 60.842 61.300 -0.016 0.000 1.191 109 I CB 1.235 39.221 38.000 -0.022 0.000 1.343 109 I HN 0.119 nan 8.210 nan 0.000 0.458 110 K N 4.795 125.180 120.400 -0.024 0.000 3.129 110 K HA 0.172 4.492 4.320 0.000 0.000 0.224 110 K C 0.155 176.730 176.600 -0.043 0.000 1.249 110 K CA -0.253 56.018 56.287 -0.028 0.000 1.177 110 K CB 0.445 32.935 32.500 -0.017 0.000 1.393 110 K HN 0.709 nan 8.250 nan 0.000 0.459 111 S N -0.339 115.323 115.700 -0.064 0.000 2.580 111 S HA 0.152 4.622 4.470 0.000 0.000 0.274 111 S C 0.905 175.448 174.600 -0.095 0.000 1.329 111 S CA -0.532 57.608 58.200 -0.100 0.000 1.036 111 S CB 1.572 64.685 63.200 -0.146 0.000 0.919 111 S HN 0.253 nan 8.310 nan 0.000 0.515 112 K N 1.167 121.505 120.400 -0.103 0.000 2.211 112 K HA 0.186 4.506 4.320 0.000 0.000 0.203 112 K C 0.001 176.554 176.600 -0.079 0.000 1.050 112 K CA 0.886 57.128 56.287 -0.075 0.000 0.945 112 K CB -0.293 32.172 32.500 -0.058 0.000 0.732 112 K HN 0.536 nan 8.250 nan 0.000 0.451 113 L N 0.464 121.612 121.223 -0.125 0.000 2.370 113 L HA 0.407 4.747 4.340 0.000 0.000 0.266 113 L C -0.642 176.155 176.870 -0.122 0.000 1.002 113 L CA -0.948 53.828 54.840 -0.107 0.000 0.818 113 L CB 2.238 44.241 42.059 -0.093 0.000 1.325 113 L HN -0.090 nan 8.230 nan 0.000 0.418 114 R N 2.377 122.831 120.500 -0.076 0.000 2.393 114 R HA 0.501 4.841 4.340 0.000 0.000 0.315 114 R C -1.106 175.165 176.300 -0.047 0.000 0.952 114 R CA -0.853 55.206 56.100 -0.068 0.000 0.842 114 R CB 2.139 32.411 30.300 -0.045 0.000 1.163 114 R HN 0.451 nan 8.270 nan 0.000 0.450 115 K N 3.341 123.709 120.400 -0.053 0.000 2.164 115 K HA 0.405 4.725 4.320 0.000 0.000 0.258 115 K C -2.498 174.085 176.600 -0.028 0.000 0.951 115 K CA -2.102 54.168 56.287 -0.027 0.000 0.844 115 K CB 1.873 34.362 32.500 -0.017 0.000 1.099 115 K HN 0.193 nan 8.250 nan 0.000 0.435 116 P HA 0.035 nan 4.420 nan 0.000 0.271 116 P C 0.608 177.876 177.300 -0.054 0.000 1.218 116 P CA -0.126 62.970 63.100 -0.005 0.000 0.780 116 P CB 0.313 32.039 31.700 0.043 0.000 0.901 117 I N -1.028 119.458 120.570 -0.141 0.000 2.916 117 I HA -0.038 4.132 4.170 0.000 0.000 0.267 117 I C 0.372 176.259 176.117 -0.384 0.000 1.263 117 I CA 0.992 62.126 61.300 -0.277 0.000 1.471 117 I CB -0.707 37.082 38.000 -0.351 0.000 1.089 117 I HN 0.252 nan 8.210 nan 0.000 0.468 118 H N 2.387 121.457 119.070 0.000 0.000 2.476 118 H HA 0.807 5.363 4.556 0.000 0.000 0.328 118 H C -0.545 174.781 175.328 -0.004 0.000 1.073 118 H CA -0.517 55.531 56.048 0.001 0.000 1.229 118 H CB 1.658 31.425 29.762 0.008 0.000 1.432 118 H HN 0.332 nan 8.280 nan 0.000 0.477 119 A N 3.274 126.149 122.820 0.092 0.000 2.549 119 A HA 0.283 4.603 4.320 0.000 0.000 0.297 119 A C -0.840 176.767 177.584 0.039 0.000 1.061 119 A CA -0.977 51.090 52.037 0.050 0.000 0.690 119 A CB 1.408 20.419 19.000 0.019 0.000 1.287 119 A HN 0.584 nan 8.150 nan 0.000 0.402 120 D N 3.431 123.848 120.400 0.029 0.000 2.390 120 D HA 0.346 4.986 4.640 0.000 0.000 0.249 120 D C -1.991 174.318 176.300 0.015 0.000 1.144 120 D CA -0.184 53.829 54.000 0.022 0.000 0.880 120 D CB 0.768 41.578 40.800 0.018 0.000 1.182 120 D HN 0.329 nan 8.370 nan 0.000 0.451 121 P HA 0.177 nan 4.420 nan 0.000 0.271 121 P C -2.496 174.813 177.300 0.015 0.000 1.218 121 P CA -1.055 62.051 63.100 0.011 0.000 0.780 121 P CB -0.405 31.305 31.700 0.016 0.000 0.901 122 P HA -0.026 nan 4.420 nan 0.000 0.263 122 P C 0.541 177.855 177.300 0.024 0.000 1.175 122 P CA 0.345 63.449 63.100 0.006 0.000 0.761 122 P CB 0.109 31.803 31.700 -0.009 0.000 0.794 123 S N 2.484 118.202 115.700 0.030 0.000 2.606 123 S HA 0.067 4.537 4.470 0.000 0.000 0.257 123 S C 1.000 175.653 174.600 0.089 0.000 1.327 123 S CA -0.401 57.840 58.200 0.068 0.000 0.984 123 S CB -0.073 63.167 63.200 0.067 0.000 0.941 123 S HN 0.422 nan 8.310 nan 0.000 0.576 124 F N 1.346 121.295 119.950 -0.002 0.000 2.126 124 F HA -0.001 4.526 4.527 0.000 0.000 0.299 124 F C 2.389 178.187 175.800 -0.004 0.000 1.096 124 F CA 1.627 59.625 58.000 -0.003 0.000 1.255 124 F CB -1.002 37.996 39.000 -0.003 0.000 0.997 124 F HN 0.686 nan 8.300 nan 0.000 0.479 125 A N -0.389 122.410 122.820 -0.035 0.000 2.067 125 A HA -0.146 4.174 4.320 0.000 0.000 0.219 125 A C 1.986 179.477 177.584 -0.155 0.000 1.158 125 A CA 1.494 53.455 52.037 -0.127 0.000 0.661 125 A CB -0.740 18.270 19.000 0.017 0.000 0.801 125 A HN 0.566 nan 8.150 nan 0.000 0.452 126 E N -0.050 120.083 120.200 -0.111 0.000 2.476 126 E HA 0.011 4.361 4.350 0.000 0.000 0.191 126 E C 0.128 176.663 176.600 -0.109 0.000 1.064 126 E CA -0.188 56.160 56.400 -0.087 0.000 0.866 126 E CB 0.134 29.807 29.700 -0.044 0.000 0.952 126 E HN 0.593 nan 8.360 nan 0.000 0.492 127 Q N 0.050 119.742 119.800 -0.181 0.000 2.414 127 Q HA 0.301 4.641 4.340 0.000 0.000 0.206 127 Q C -0.143 175.775 176.000 -0.137 0.000 1.058 127 Q CA 0.040 55.746 55.803 -0.161 0.000 1.025 127 Q CB 1.601 30.205 28.738 -0.223 0.000 1.196 127 Q HN -0.035 nan 8.270 nan 0.000 0.586 128 S N -0.716 114.923 115.700 -0.102 0.000 2.602 128 S HA 0.405 4.875 4.470 0.000 0.000 0.301 128 S C -1.713 172.855 174.600 -0.053 0.000 1.091 128 S CA -0.453 57.701 58.200 -0.077 0.000 0.895 128 S CB 0.745 63.910 63.200 -0.059 0.000 1.090 128 S HN 0.645 nan 8.310 nan 0.000 0.449 129 T N 0.916 115.443 114.554 -0.044 0.000 2.952 129 T HA 0.855 5.205 4.350 0.000 0.000 0.305 129 T C -0.524 174.164 174.700 -0.019 0.000 1.064 129 T CA -0.534 61.550 62.100 -0.027 0.000 1.008 129 T CB 1.443 70.298 68.868 -0.022 0.000 1.078 129 T HN 1.248 nan 8.240 nan 0.000 0.459 130 S N 0.665 116.359 115.700 -0.010 0.000 2.618 130 S HA 0.791 5.261 4.470 0.000 0.000 0.277 130 S C -0.696 173.905 174.600 0.002 0.000 1.138 130 S CA -0.860 57.337 58.200 -0.005 0.000 0.844 130 S CB 1.573 64.770 63.200 -0.004 0.000 1.127 130 S HN 1.483 nan 8.310 nan 0.000 0.474 131 A N 1.053 123.876 122.820 0.004 0.000 3.000 131 A HA 0.534 4.854 4.320 0.000 0.000 0.315 131 A C -0.019 177.573 177.584 0.014 0.000 1.434 131 A CA -0.448 51.595 52.037 0.010 0.000 1.108 131 A CB -0.642 18.362 19.000 0.007 0.000 1.171 131 A HN 0.780 nan 8.150 nan 0.000 0.524 132 E N 2.395 122.606 120.200 0.019 0.000 2.130 132 E HA 0.325 4.675 4.350 0.000 0.000 0.284 132 E C -0.353 176.268 176.600 0.037 0.000 1.018 132 E CA -0.504 55.911 56.400 0.025 0.000 0.817 132 E CB 0.676 30.390 29.700 0.024 0.000 1.078 132 E HN 0.723 nan 8.360 nan 0.000 0.396 133 I N 5.415 126.006 120.570 0.036 0.000 2.618 133 I HA 0.019 4.189 4.170 0.000 0.000 0.284 133 I C -1.003 175.149 176.117 0.059 0.000 1.146 133 I CA -0.361 60.967 61.300 0.046 0.000 1.425 133 I CB 0.406 38.426 38.000 0.034 0.000 1.383 133 I HN 0.490 nan 8.210 nan 0.000 0.562 134 L N 8.352 129.624 121.223 0.082 0.000 2.277 134 L HA 0.392 4.732 4.340 0.000 0.000 0.284 134 L C -0.228 176.686 176.870 0.074 0.000 1.028 134 L CA -0.129 54.767 54.840 0.093 0.000 0.835 134 L CB 1.018 43.155 42.059 0.129 0.000 1.215 134 L HN 0.630 nan 8.230 nan 0.000 0.425 135 E N 1.957 122.189 120.200 0.054 0.000 2.299 135 E HA 0.089 4.439 4.350 0.000 0.000 0.272 135 E C 0.604 177.218 176.600 0.023 0.000 1.043 135 E CA 0.521 56.940 56.400 0.031 0.000 0.895 135 E CB 0.797 30.517 29.700 0.033 0.000 1.011 135 E HN 0.803 nan 8.360 nan 0.000 0.432 136 T N 0.944 115.490 114.554 -0.013 0.000 3.037 136 T HA 0.245 4.595 4.350 0.000 0.000 0.251 136 T C 1.440 176.116 174.700 -0.039 0.000 1.079 136 T CA 0.396 62.483 62.100 -0.021 0.000 1.067 136 T CB 0.378 69.201 68.868 -0.075 0.000 0.948 136 T HN 0.673 nan 8.240 nan 0.000 0.496 137 G N 1.870 110.655 108.800 -0.024 0.000 2.299 137 G HA2 -0.213 3.747 3.960 0.000 0.000 0.237 137 G HA3 -0.213 3.747 3.960 0.000 0.000 0.237 137 G C 0.074 174.976 174.900 0.004 0.000 1.027 137 G CA -0.096 44.996 45.100 -0.014 0.000 0.619 137 G HN 0.658 nan 8.290 nan 0.000 0.513 138 I N 2.222 122.794 120.570 0.004 0.000 2.436 138 I HA 0.185 4.355 4.170 0.000 0.000 0.289 138 I C 1.734 177.876 176.117 0.041 0.000 1.083 138 I CA -0.159 61.189 61.300 0.080 0.000 1.372 138 I CB 1.013 39.096 38.000 0.137 0.000 1.408 138 I HN 0.096 nan 8.210 nan 0.000 0.516 139 K N 4.048 124.466 120.400 0.031 0.000 2.059 139 K HA -0.206 4.114 4.320 0.000 0.000 0.212 139 K C 1.874 178.444 176.600 -0.050 0.000 1.050 139 K CA 1.473 57.752 56.287 -0.015 0.000 0.927 139 K CB -0.166 32.309 32.500 -0.040 0.000 0.714 139 K HN 0.627 nan 8.250 nan 0.000 0.447 140 V N 0.829 120.734 119.914 -0.016 0.000 2.358 140 V HA -0.192 3.928 4.120 0.000 0.000 0.246 140 V C 1.998 178.071 176.094 -0.034 0.000 1.047 140 V CA 1.512 63.790 62.300 -0.038 0.000 1.035 140 V CB 0.044 31.882 31.823 0.026 0.000 0.658 140 V HN 0.116 nan 8.190 nan 0.000 0.452 141 V N 0.218 120.127 119.914 -0.009 0.000 2.283 141 V HA -0.172 3.948 4.120 0.000 0.000 0.243 141 V C 2.366 178.390 176.094 -0.117 0.000 1.039 141 V CA 2.311 64.542 62.300 -0.114 0.000 1.016 141 V CB -0.859 30.786 31.823 -0.297 0.000 0.650 141 V HN 0.528 nan 8.190 nan 0.000 0.449 142 D N -0.331 120.021 120.400 -0.081 0.000 2.271 142 D HA -0.152 4.488 4.640 0.000 0.000 0.207 142 D C 1.745 178.070 176.300 0.042 0.000 0.983 142 D CA 1.166 55.153 54.000 -0.023 0.000 0.878 142 D CB 0.005 40.802 40.800 -0.005 0.000 0.920 142 D HN 0.366 nan 8.370 nan 0.000 0.479 143 L N -0.965 120.247 121.223 -0.017 0.000 2.269 143 L HA 0.159 4.499 4.340 0.000 0.000 0.200 143 L C 1.765 178.649 176.870 0.024 0.000 1.069 143 L CA 0.878 55.719 54.840 0.002 0.000 0.804 143 L CB 0.131 42.038 42.059 -0.253 0.000 0.987 143 L HN -0.057 nan 8.230 nan 0.000 0.468 144 L N -1.043 120.147 121.223 -0.056 0.000 2.433 144 L HA 0.386 4.726 4.340 0.000 0.000 0.200 144 L C 0.993 177.848 176.870 -0.024 0.000 1.059 144 L CA 0.555 55.358 54.840 -0.061 0.000 0.835 144 L CB -0.217 41.788 42.059 -0.090 0.000 1.076 144 L HN 0.124 nan 8.230 nan 0.000 0.481 145 A N 0.995 123.812 122.820 -0.005 0.000 3.218 145 A HA 0.450 4.770 4.320 0.000 0.000 0.321 145 A C -2.494 175.121 177.584 0.051 0.000 1.012 145 A CA -1.245 50.821 52.037 0.049 0.000 0.948 145 A CB -0.544 18.517 19.000 0.101 0.000 1.050 145 A HN -0.072 nan 8.150 nan 0.000 0.492 146 P HA 0.027 nan 4.420 nan 0.000 0.266 146 P C -0.714 176.688 177.300 0.170 0.000 1.195 146 P CA 0.537 63.638 63.100 0.002 0.000 0.768 146 P CB 0.442 32.143 31.700 0.003 0.000 0.838 147 Y N 0.815 121.146 120.300 0.051 0.000 2.300 147 Y HA 0.420 4.970 4.550 0.000 0.000 0.328 147 Y C 1.091 177.006 175.900 0.024 0.000 1.270 147 Y CA -1.549 56.575 58.100 0.040 0.000 1.352 147 Y CB 0.063 38.553 38.460 0.051 0.000 1.286 147 Y HN 0.387 nan 8.280 nan 0.000 0.536 148 A N 2.617 125.541 122.820 0.173 0.000 2.304 148 A HA 0.578 4.898 4.320 0.000 0.000 0.323 148 A C -0.051 177.567 177.584 0.056 0.000 1.195 148 A CA -0.964 51.124 52.037 0.085 0.000 0.826 148 A CB 0.412 19.441 19.000 0.048 0.000 1.184 148 A HN 0.795 nan 8.150 nan 0.000 0.496 149 R N 1.636 122.167 120.500 0.052 0.000 2.370 149 R HA 0.394 4.734 4.340 0.000 0.000 0.309 149 R C 1.264 177.576 176.300 0.020 0.000 1.059 149 R CA 1.622 57.747 56.100 0.042 0.000 0.981 149 R CB 0.027 30.358 30.300 0.051 0.000 0.972 149 R HN 1.707 nan 8.270 nan 0.000 0.437 150 G N 2.457 111.260 108.800 0.004 0.000 2.162 150 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 150 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 150 G C 0.347 175.231 174.900 -0.028 0.000 0.976 150 G CA 0.021 45.115 45.100 -0.011 0.000 0.655 150 G HN 0.910 nan 8.290 nan 0.000 0.533 151 G N -0.768 108.012 108.800 -0.032 0.000 2.543 151 G HA2 0.604 4.564 3.960 0.000 0.000 0.290 151 G HA3 0.604 4.564 3.960 0.000 0.000 0.290 151 G C -0.178 174.671 174.900 -0.085 0.000 1.310 151 G CA -0.593 44.482 45.100 -0.042 0.000 1.025 151 G HN 0.394 nan 8.290 nan 0.000 0.502 152 K N -0.484 119.865 120.400 -0.085 0.000 2.292 152 K HA 0.567 4.887 4.320 0.000 0.000 0.257 152 K C -1.150 175.351 176.600 -0.164 0.000 0.940 152 K CA -0.340 55.875 56.287 -0.121 0.000 0.811 152 K CB 2.268 34.724 32.500 -0.074 0.000 1.120 152 K HN 0.264 nan 8.250 nan 0.000 0.428 153 I N 1.164 121.586 120.570 -0.248 0.000 2.533 153 I HA 0.359 4.529 4.170 0.000 0.000 0.290 153 I C -0.085 175.845 176.117 -0.313 0.000 1.056 153 I CA -0.664 60.422 61.300 -0.357 0.000 1.057 153 I CB 2.359 39.955 38.000 -0.672 0.000 1.240 153 I HN 0.660 nan 8.210 nan 0.000 0.423 154 G N 6.167 114.801 108.800 -0.277 0.000 2.452 154 G HA2 0.764 4.724 3.960 0.000 0.000 0.324 154 G HA3 0.764 4.724 3.960 0.000 0.000 0.324 154 G C -1.092 173.598 174.900 -0.351 0.000 1.214 154 G CA -0.545 44.329 45.100 -0.376 0.000 0.947 154 G HN 0.446 nan 8.290 nan 0.000 0.478 155 L N 1.983 122.952 121.223 -0.423 0.000 2.337 155 L HA 0.378 4.718 4.340 0.000 0.000 0.269 155 L C -0.895 175.768 176.870 -0.345 0.000 1.018 155 L CA -0.540 54.129 54.840 -0.286 0.000 0.876 155 L CB 0.890 42.848 42.059 -0.169 0.000 1.236 155 L HN 0.362 nan 8.230 nan 0.000 0.436 156 F N 1.503 121.366 119.950 -0.144 0.000 2.420 156 F HA 0.644 5.171 4.527 0.000 0.000 0.352 156 F C 1.043 176.791 175.800 -0.087 0.000 1.108 156 F CA -0.206 57.718 58.000 -0.126 0.000 1.162 156 F CB 1.681 40.600 39.000 -0.134 0.000 1.118 156 F HN 0.381 nan 8.300 nan 0.000 0.510 157 G N 1.342 110.174 108.800 0.053 0.000 2.742 157 G HA2 0.518 4.478 3.960 0.000 0.000 0.296 157 G HA3 0.518 4.478 3.960 0.000 0.000 0.296 157 G C -0.786 174.042 174.900 -0.120 0.000 1.436 157 G CA -0.624 44.474 45.100 -0.004 0.000 0.928 157 G HN 0.900 nan 8.290 nan 0.000 0.520 158 G N -0.576 108.155 108.800 -0.115 0.000 2.580 158 G HA2 0.644 4.604 3.960 0.000 0.000 0.278 158 G HA3 0.644 4.604 3.960 0.000 0.000 0.278 158 G C 0.671 175.521 174.900 -0.083 0.000 1.212 158 G CA 0.286 45.270 45.100 -0.194 0.000 0.939 158 G HN 1.575 nan 8.290 nan 0.000 0.513 159 A N -0.645 122.159 122.820 -0.027 0.000 2.500 159 A HA 0.507 4.827 4.320 0.000 0.000 0.285 159 A C 1.448 179.093 177.584 0.103 0.000 1.183 159 A CA 1.000 53.127 52.037 0.149 0.000 0.851 159 A CB -1.041 18.089 19.000 0.217 0.000 1.091 159 A HN 2.532 nan 8.150 nan 0.000 0.521 160 G N 0.962 109.829 108.800 0.112 0.000 2.164 160 G HA2 -0.104 3.857 3.960 0.000 0.000 0.212 160 G HA3 -0.104 3.857 3.960 0.000 0.000 0.212 160 G C 0.568 175.522 174.900 0.091 0.000 1.031 160 G CA 0.519 45.673 45.100 0.090 0.000 0.730 160 G HN 2.078 nan 8.290 nan 0.000 0.501 161 V N -3.556 116.418 119.914 0.099 0.000 3.644 161 V HA 0.688 4.808 4.120 0.000 0.000 0.267 161 V C 1.655 177.863 176.094 0.189 0.000 1.277 161 V CA 1.376 63.747 62.300 0.118 0.000 1.096 161 V CB 0.518 32.374 31.823 0.056 0.000 0.828 161 V HN 2.078 nan 8.190 nan 0.000 0.446 162 G N 0.228 109.137 108.800 0.182 0.000 2.321 162 G HA2 -0.149 3.811 3.960 0.000 0.000 0.174 162 G HA3 -0.149 3.811 3.960 0.000 0.000 0.174 162 G C 0.632 175.697 174.900 0.275 0.000 1.008 162 G CA 0.151 45.400 45.100 0.248 0.000 0.739 162 G HN 0.379 nan 8.290 nan 0.000 0.502 163 K N 0.197 120.714 120.400 0.196 0.000 2.044 163 K HA -0.097 4.223 4.320 0.000 0.000 0.210 163 K C 2.441 179.189 176.600 0.248 0.000 1.049 163 K CA 2.061 58.457 56.287 0.181 0.000 0.927 163 K CB -0.273 32.299 32.500 0.121 0.000 0.713 163 K HN 0.316 nan 8.250 nan 0.000 0.443 164 T N 0.670 115.364 114.554 0.233 0.000 2.942 164 T HA -0.042 4.308 4.350 0.000 0.000 0.265 164 T C 2.022 176.875 174.700 0.255 0.000 1.062 164 T CA 0.796 63.041 62.100 0.242 0.000 1.139 164 T CB -0.002 68.997 68.868 0.218 0.000 0.883 164 T HN -0.055 nan 8.240 nan 0.000 0.468 165 V N 0.724 120.806 119.914 0.280 0.000 2.591 165 V HA -0.013 4.107 4.120 0.000 0.000 0.249 165 V C 1.936 178.225 176.094 0.325 0.000 1.053 165 V CA 1.104 63.581 62.300 0.296 0.000 1.068 165 V CB -0.662 31.355 31.823 0.324 0.000 0.689 165 V HN 0.365 nan 8.190 nan 0.000 0.462 166 F N 0.182 120.297 119.950 0.276 0.000 2.113 166 F HA -0.139 4.388 4.527 0.000 0.000 0.297 166 F C 2.130 178.019 175.800 0.148 0.000 1.103 166 F CA 1.748 59.922 58.000 0.290 0.000 1.248 166 F CB -0.093 39.099 39.000 0.320 0.000 0.999 166 F HN 0.034 nan 8.300 nan 0.000 0.475 167 I N -0.193 120.632 120.570 0.425 0.000 2.315 167 I HA -0.315 3.855 4.170 0.000 0.000 0.248 167 I C 2.218 178.408 176.117 0.121 0.000 1.117 167 I CA 1.374 62.866 61.300 0.319 0.000 1.404 167 I CB -0.311 37.881 38.000 0.319 0.000 1.071 167 I HN 0.252 nan 8.210 nan 0.000 0.419 168 Q N -0.076 119.776 119.800 0.087 0.000 2.226 168 Q HA -0.279 4.061 4.340 0.000 0.000 0.204 168 Q C 1.878 177.805 176.000 -0.121 0.000 0.975 168 Q CA 1.566 57.351 55.803 -0.030 0.000 0.866 168 Q CB 0.064 28.812 28.738 0.017 0.000 0.915 168 Q HN 0.446 nan 8.270 nan 0.000 0.440 169 E N 0.668 120.758 120.200 -0.183 0.000 2.112 169 E HA -0.086 4.264 4.350 0.000 0.000 0.190 169 E C 1.671 178.066 176.600 -0.342 0.000 0.979 169 E CA 0.669 56.818 56.400 -0.419 0.000 0.814 169 E CB -0.079 29.021 29.700 -1.001 0.000 0.762 169 E HN 0.274 nan 8.360 nan 0.000 0.460 170 L N 0.182 121.293 121.223 -0.187 0.000 2.201 170 L HA -0.075 4.265 4.340 0.000 0.000 0.212 170 L C 2.258 179.152 176.870 0.040 0.000 1.105 170 L CA 0.625 55.471 54.840 0.010 0.000 0.775 170 L CB -0.280 41.953 42.059 0.289 0.000 0.913 170 L HN 0.227 nan 8.230 nan 0.000 0.440 171 I N -0.179 120.305 120.570 -0.144 0.000 2.163 171 I HA -0.297 3.873 4.170 0.000 0.000 0.240 171 I C 2.258 178.296 176.117 -0.132 0.000 1.081 171 I CA 1.394 62.534 61.300 -0.268 0.000 1.353 171 I CB -0.288 37.442 38.000 -0.450 0.000 1.054 171 I HN 0.278 nan 8.210 nan 0.000 0.407 172 N N 0.997 119.611 118.700 -0.143 0.000 2.104 172 N HA -0.190 4.551 4.740 0.000 0.000 0.190 172 N C 1.575 177.033 175.510 -0.086 0.000 1.024 172 N CA 1.595 54.575 53.050 -0.116 0.000 0.853 172 N CB -0.059 38.347 38.487 -0.135 0.000 1.008 172 N HN 0.234 nan 8.380 nan 0.000 0.424 173 N N -0.057 118.584 118.700 -0.098 0.000 2.109 173 N HA -0.042 4.698 4.740 0.000 0.000 0.188 173 N C 1.444 176.948 175.510 -0.010 0.000 1.034 173 N CA 0.940 53.948 53.050 -0.070 0.000 0.846 173 N CB -0.187 38.234 38.487 -0.110 0.000 1.010 173 N HN 0.278 nan 8.380 nan 0.000 0.425 174 I N 0.822 121.410 120.570 0.030 0.000 2.385 174 I HA 0.091 4.261 4.170 0.000 0.000 0.244 174 I C 2.287 178.461 176.117 0.096 0.000 1.089 174 I CA 0.469 61.815 61.300 0.078 0.000 1.410 174 I CB -1.591 36.476 38.000 0.112 0.000 1.117 174 I HN -0.038 nan 8.210 nan 0.000 0.429 175 A N 1.897 124.770 122.820 0.089 0.000 1.917 175 A HA -0.242 4.078 4.320 0.000 0.000 0.219 175 A C 2.306 179.938 177.584 0.080 0.000 1.182 175 A CA 1.977 54.070 52.037 0.092 0.000 0.633 175 A CB -0.587 18.456 19.000 0.071 0.000 0.819 175 A HN 0.466 nan 8.150 nan 0.000 0.448 176 K N -0.389 120.033 120.400 0.038 0.000 2.062 176 K HA 0.085 4.405 4.320 0.000 0.000 0.205 176 K C 2.214 178.826 176.600 0.021 0.000 1.051 176 K CA 1.094 57.391 56.287 0.016 0.000 0.941 176 K CB -0.299 32.197 32.500 -0.006 0.000 0.719 176 K HN 0.392 nan 8.250 nan 0.000 0.440 177 A N 1.698 124.539 122.820 0.035 0.000 2.016 177 A HA -0.095 4.225 4.320 0.000 0.000 0.217 177 A C 1.014 178.620 177.584 0.038 0.000 1.162 177 A CA 0.427 52.479 52.037 0.026 0.000 0.662 177 A CB -0.566 18.450 19.000 0.026 0.000 0.812 177 A HN 0.323 nan 8.150 nan 0.000 0.450 178 H N -0.122 118.937 119.070 -0.019 0.000 2.732 178 H HA 0.245 4.801 4.556 0.000 0.000 0.351 178 H C 1.420 176.708 175.328 -0.067 0.000 1.090 178 H CA 0.603 56.633 56.048 -0.029 0.000 1.431 178 H CB 1.094 30.853 29.762 -0.006 0.000 1.447 178 H HN 0.106 nan 8.280 nan 0.000 0.582 179 G N 3.794 112.207 108.800 -0.646 0.000 2.505 179 G HA2 -0.106 3.854 3.960 0.000 0.000 0.214 179 G HA3 -0.106 3.854 3.960 0.000 0.000 0.214 179 G C 0.897 175.574 174.900 -0.372 0.000 1.237 179 G CA 0.478 45.316 45.100 -0.438 0.000 0.802 179 G HN 0.757 nan 8.290 nan 0.000 0.549 180 G N -0.609 107.954 108.800 -0.395 0.000 2.529 180 G HA2 0.408 4.368 3.960 0.000 0.000 0.277 180 G HA3 0.408 4.368 3.960 0.000 0.000 0.277 180 G C -0.585 174.179 174.900 -0.226 0.000 1.383 180 G CA -0.757 44.160 45.100 -0.304 0.000 1.050 180 G HN 0.145 nan 8.290 nan 0.000 0.526 181 F N -0.598 119.335 119.950 -0.028 0.000 2.371 181 F HA 0.510 5.037 4.527 0.000 0.000 0.329 181 F C 0.873 176.574 175.800 -0.164 0.000 1.107 181 F CA -0.341 57.539 58.000 -0.201 0.000 1.137 181 F CB 1.613 40.233 39.000 -0.633 0.000 1.214 181 F HN 0.156 nan 8.300 nan 0.000 0.536 182 S N 0.626 116.370 115.700 0.073 0.000 2.568 182 S HA 0.776 5.246 4.470 0.000 0.000 0.302 182 S C -1.035 173.629 174.600 0.108 0.000 1.082 182 S CA -0.825 57.441 58.200 0.110 0.000 1.009 182 S CB 2.100 65.436 63.200 0.226 0.000 1.069 182 S HN 0.322 nan 8.310 nan 0.000 0.500 183 V N 2.870 122.879 119.914 0.158 0.000 2.482 183 V HA 0.430 4.550 4.120 0.000 0.000 0.295 183 V C -1.373 174.855 176.094 0.223 0.000 1.026 183 V CA -0.595 61.798 62.300 0.156 0.000 0.856 183 V CB 1.060 32.953 31.823 0.116 0.000 1.001 183 V HN 0.852 nan 8.190 nan 0.000 0.424 184 F N 4.053 124.033 119.950 0.051 0.000 2.361 184 F HA 0.605 5.132 4.527 0.000 0.000 0.364 184 F C 0.513 176.210 175.800 -0.172 0.000 1.117 184 F CA -0.123 57.882 58.000 0.007 0.000 1.071 184 F CB 1.273 40.248 39.000 -0.043 0.000 1.188 184 F HN 0.479 nan 8.300 nan 0.000 0.464 185 T N 4.979 119.309 114.554 -0.373 0.000 2.733 185 T HA 0.406 4.756 4.350 0.000 0.000 0.294 185 T C 0.444 174.864 174.700 -0.466 0.000 0.956 185 T CA -0.513 61.377 62.100 -0.349 0.000 0.987 185 T CB 0.969 69.700 68.868 -0.228 0.000 0.920 185 T HN 0.837 nan 8.240 nan 0.000 0.470 186 G N 2.639 111.202 108.800 -0.395 0.000 2.530 186 G HA2 0.467 4.427 3.960 0.000 0.000 0.313 186 G HA3 0.467 4.427 3.960 0.000 0.000 0.313 186 G C -0.271 174.668 174.900 0.066 0.000 0.971 186 G CA -0.384 44.697 45.100 -0.031 0.000 1.237 186 G HN 0.658 nan 8.290 nan 0.000 0.446 187 V N 2.672 122.599 119.914 0.021 0.000 2.350 187 V HA 0.534 4.654 4.120 0.000 0.000 0.276 187 V C 1.386 177.526 176.094 0.076 0.000 1.028 187 V CA 0.366 62.690 62.300 0.040 0.000 0.860 187 V CB 0.906 32.731 31.823 0.004 0.000 0.990 187 V HN 1.122 nan 8.190 nan 0.000 0.453 188 G N 3.493 112.341 108.800 0.081 0.000 2.309 188 G HA2 -0.232 3.728 3.960 0.000 0.000 0.286 188 G HA3 -0.232 3.728 3.960 0.000 0.000 0.286 188 G C 0.345 175.287 174.900 0.071 0.000 1.002 188 G CA 0.874 46.011 45.100 0.061 0.000 0.786 188 G HN 0.661 nan 8.290 nan 0.000 0.511 189 E N -0.786 119.481 120.200 0.112 0.000 3.232 189 E HA 0.387 4.737 4.350 0.000 0.000 0.248 189 E C 0.708 177.375 176.600 0.112 0.000 1.048 189 E CA -0.988 55.481 56.400 0.115 0.000 1.204 189 E CB 0.658 30.450 29.700 0.153 0.000 1.535 189 E HN 0.322 nan 8.360 nan 0.000 0.567 190 R N 0.505 121.071 120.500 0.111 0.000 2.347 190 R HA 0.138 4.478 4.340 0.000 0.000 0.304 190 R C 1.161 177.494 176.300 0.055 0.000 1.072 190 R CA 0.033 56.178 56.100 0.075 0.000 0.980 190 R CB 0.369 30.712 30.300 0.071 0.000 0.986 190 R HN 0.433 nan 8.270 nan 0.000 0.448 191 T N 2.757 117.319 114.554 0.013 0.000 2.833 191 T HA -0.190 4.160 4.350 0.000 0.000 0.269 191 T C 1.715 176.360 174.700 -0.092 0.000 1.054 191 T CA 1.701 63.765 62.100 -0.061 0.000 1.135 191 T CB -0.111 68.723 68.868 -0.057 0.000 0.869 191 T HN 0.613 nan 8.240 nan 0.000 0.466 192 R N 1.597 122.075 120.500 -0.036 0.000 2.189 192 R HA 0.090 4.430 4.340 0.000 0.000 0.218 192 R C 1.930 178.219 176.300 -0.018 0.000 1.074 192 R CA 1.257 57.339 56.100 -0.030 0.000 0.991 192 R CB -0.316 29.982 30.300 -0.004 0.000 0.883 192 R HN 0.353 nan 8.270 nan 0.000 0.457 193 E N 0.355 120.564 120.200 0.015 0.000 2.152 193 E HA -0.065 4.285 4.350 0.000 0.000 0.192 193 E C 1.903 178.514 176.600 0.019 0.000 0.983 193 E CA 1.114 57.546 56.400 0.053 0.000 0.818 193 E CB -0.041 29.733 29.700 0.124 0.000 0.758 193 E HN 0.675 nan 8.360 nan 0.000 0.467 194 G N 0.937 109.693 108.800 -0.074 0.000 2.551 194 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 194 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 194 G C 1.379 176.071 174.900 -0.347 0.000 1.137 194 G CA 0.460 45.360 45.100 -0.335 0.000 0.798 194 G HN 0.146 nan 8.290 nan 0.000 0.536 195 N N 1.078 119.649 118.700 -0.215 0.000 2.188 195 N HA -0.088 4.652 4.740 0.000 0.000 0.184 195 N C 1.604 177.094 175.510 -0.034 0.000 1.018 195 N CA 1.535 54.521 53.050 -0.106 0.000 0.858 195 N CB -0.093 38.348 38.487 -0.077 0.000 0.989 195 N HN 0.130 nan 8.380 nan 0.000 0.426 196 D N 0.090 120.466 120.400 -0.039 0.000 2.084 196 D HA -0.129 4.511 4.640 0.000 0.000 0.196 196 D C 1.949 178.228 176.300 -0.035 0.000 0.985 196 D CA 0.644 54.627 54.000 -0.030 0.000 0.826 196 D CB -0.521 40.268 40.800 -0.019 0.000 0.978 196 D HN 0.251 nan 8.370 nan 0.000 0.456 197 L N 0.188 121.387 121.223 -0.040 0.000 2.083 197 L HA -0.209 4.131 4.340 0.000 0.000 0.209 197 L C 2.333 179.195 176.870 -0.014 0.000 1.083 197 L CA 1.359 56.151 54.840 -0.081 0.000 0.752 197 L CB -0.534 41.415 42.059 -0.184 0.000 0.899 197 L HN -0.001 nan 8.230 nan 0.000 0.433 198 Y N 0.294 120.540 120.300 -0.090 0.000 2.181 198 Y HA -0.257 4.293 4.550 0.000 0.000 0.288 198 Y C 2.817 178.682 175.900 -0.057 0.000 1.146 198 Y CA 2.013 60.082 58.100 -0.051 0.000 1.164 198 Y CB -0.299 38.134 38.460 -0.046 0.000 0.982 198 Y HN 0.173 nan 8.280 nan 0.000 0.515 199 R N -0.004 120.422 120.500 -0.122 0.000 2.115 199 R HA -0.105 4.235 4.340 0.000 0.000 0.226 199 R C 2.036 178.243 176.300 -0.154 0.000 1.100 199 R CA 1.153 57.138 56.100 -0.192 0.000 0.980 199 R CB 0.016 30.250 30.300 -0.109 0.000 0.875 199 R HN 0.345 nan 8.270 nan 0.000 0.445 200 E N 0.515 120.646 120.200 -0.114 0.000 2.058 200 E HA -0.231 4.119 4.350 0.000 0.000 0.194 200 E C 1.885 178.415 176.600 -0.116 0.000 0.997 200 E CA 1.515 57.850 56.400 -0.108 0.000 0.801 200 E CB -0.199 29.439 29.700 -0.104 0.000 0.746 200 E HN 0.432 nan 8.360 nan 0.000 0.450 201 M N 0.322 119.849 119.600 -0.122 0.000 2.562 201 M HA -0.052 4.428 4.480 0.000 0.000 0.257 201 M C 2.033 178.258 176.300 -0.125 0.000 1.099 201 M CA 0.735 55.971 55.300 -0.107 0.000 1.099 201 M CB 0.037 32.593 32.600 -0.074 0.000 1.427 201 M HN -0.042 nan 8.290 nan 0.000 0.489 202 K N 0.542 120.829 120.400 -0.188 0.000 2.025 202 K HA -0.148 4.172 4.320 0.000 0.000 0.207 202 K C 1.720 178.245 176.600 -0.125 0.000 1.049 202 K CA 1.365 57.536 56.287 -0.193 0.000 0.933 202 K CB 0.005 32.344 32.500 -0.268 0.000 0.714 202 K HN 0.219 nan 8.250 nan 0.000 0.438 203 E N -0.242 119.890 120.200 -0.113 0.000 2.208 203 E HA -0.085 4.265 4.350 0.000 0.000 0.193 203 E C 1.707 178.264 176.600 -0.071 0.000 0.988 203 E CA 1.263 57.612 56.400 -0.085 0.000 0.828 203 E CB 0.105 29.757 29.700 -0.081 0.000 0.763 203 E HN 0.256 nan 8.360 nan 0.000 0.478 204 T N -1.800 112.710 114.554 -0.074 0.000 2.896 204 T HA 0.099 4.449 4.350 0.000 0.000 0.263 204 T C 1.622 176.293 174.700 -0.049 0.000 1.050 204 T CA 0.990 63.053 62.100 -0.061 0.000 1.140 204 T CB 0.073 68.900 68.868 -0.067 0.000 0.877 204 T HN 0.379 nan 8.240 nan 0.000 0.457 205 G N 0.164 108.934 108.800 -0.049 0.000 2.253 205 G HA2 -0.285 3.675 3.960 0.000 0.000 0.209 205 G HA3 -0.285 3.675 3.960 0.000 0.000 0.209 205 G C 1.129 176.015 174.900 -0.022 0.000 0.997 205 G CA 0.155 45.235 45.100 -0.034 0.000 0.640 205 G HN 0.396 nan 8.290 nan 0.000 0.496 206 V N 0.920 120.819 119.914 -0.025 0.000 2.332 206 V HA 0.086 4.206 4.120 0.000 0.000 0.248 206 V C 1.699 177.799 176.094 0.010 0.000 1.055 206 V CA 1.855 64.150 62.300 -0.007 0.000 1.038 206 V CB -0.302 31.511 31.823 -0.016 0.000 0.651 206 V HN 0.476 nan 8.190 nan 0.000 0.450 207 I N 1.395 121.960 120.570 -0.009 0.000 2.336 207 I HA 0.336 4.506 4.170 0.000 0.000 0.292 207 I C -0.239 175.864 176.117 -0.024 0.000 0.991 207 I CA -0.111 61.191 61.300 0.004 0.000 1.227 207 I CB 1.228 39.229 38.000 0.001 0.000 1.366 207 I HN 0.240 nan 8.210 nan 0.000 0.466 208 N N 6.525 125.226 118.700 0.003 0.000 2.533 208 N HA 0.317 5.057 4.740 0.000 0.000 0.289 208 N C 0.033 175.550 175.510 0.012 0.000 1.103 208 N CA -0.558 52.489 53.050 -0.006 0.000 0.877 208 N CB 1.357 39.844 38.487 -0.001 0.000 1.419 208 N HN 0.491 nan 8.380 nan 0.000 0.517 209 L N 1.802 123.027 121.223 0.003 0.000 2.201 209 L HA 0.079 4.419 4.340 0.000 0.000 0.212 209 L C 0.801 177.685 176.870 0.023 0.000 1.105 209 L CA 1.067 55.920 54.840 0.021 0.000 0.775 209 L CB -0.002 42.064 42.059 0.013 0.000 0.913 209 L HN 0.611 nan 8.230 nan 0.000 0.440 210 E N -0.592 119.616 120.200 0.013 0.000 2.496 210 E HA 0.277 4.627 4.350 0.000 0.000 0.202 210 E C 0.643 177.253 176.600 0.016 0.000 1.021 210 E CA 0.098 56.507 56.400 0.014 0.000 1.015 210 E CB 0.611 30.315 29.700 0.006 0.000 1.102 210 E HN 0.428 nan 8.360 nan 0.000 0.452 211 G N 0.206 109.019 108.800 0.023 0.000 2.825 211 G HA2 -0.014 3.946 3.960 0.000 0.000 0.100 211 G HA3 -0.014 3.946 3.960 0.000 0.000 0.100 211 G C -1.001 173.922 174.900 0.039 0.000 1.195 211 G CA -0.746 44.370 45.100 0.027 0.000 1.317 211 G HN 0.009 nan 8.290 nan 0.000 0.632 212 E N 0.567 120.790 120.200 0.039 0.000 2.373 212 E HA 0.622 4.972 4.350 0.000 0.000 0.263 212 E C -0.744 175.893 176.600 0.061 0.000 1.073 212 E CA 0.234 56.667 56.400 0.055 0.000 0.894 212 E CB 1.496 31.223 29.700 0.045 0.000 1.008 212 E HN 0.241 nan 8.360 nan 0.000 0.420 213 S N 0.809 116.563 115.700 0.090 0.000 2.566 213 S HA 0.236 4.706 4.470 0.000 0.000 0.273 213 S C 0.132 174.817 174.600 0.142 0.000 1.157 213 S CA -0.664 57.594 58.200 0.097 0.000 0.938 213 S CB 1.379 64.637 63.200 0.097 0.000 1.087 213 S HN 0.340 nan 8.310 nan 0.000 0.474 214 K N 1.100 121.569 120.400 0.116 0.000 2.358 214 K HA 0.406 4.726 4.320 0.000 0.000 0.200 214 K C -0.409 176.269 176.600 0.130 0.000 1.030 214 K CA 0.181 56.550 56.287 0.138 0.000 1.097 214 K CB 1.146 33.678 32.500 0.053 0.000 0.862 214 K HN 0.297 nan 8.250 nan 0.000 0.534 215 V N 0.408 120.388 119.914 0.110 0.000 2.733 215 V HA 0.670 4.790 4.120 0.000 0.000 0.306 215 V C -1.833 174.326 176.094 0.107 0.000 1.084 215 V CA -0.848 61.513 62.300 0.102 0.000 0.905 215 V CB 1.804 33.684 31.823 0.096 0.000 1.010 215 V HN 0.046 nan 8.190 nan 0.000 0.424 216 A N 7.342 130.224 122.820 0.104 0.000 2.271 216 A HA 0.830 5.150 4.320 0.000 0.000 0.317 216 A C -0.869 176.770 177.584 0.091 0.000 1.245 216 A CA -0.494 51.608 52.037 0.109 0.000 0.857 216 A CB 0.576 19.660 19.000 0.140 0.000 1.175 216 A HN 0.865 nan 8.150 nan 0.000 0.512 217 L N 2.914 124.180 121.223 0.072 0.000 2.307 217 L HA 0.585 4.925 4.340 0.000 0.000 0.282 217 L C -0.688 176.139 176.870 -0.071 0.000 1.051 217 L CA -0.715 54.127 54.840 0.004 0.000 0.804 217 L CB 1.743 43.859 42.059 0.096 0.000 1.197 217 L HN 0.410 nan 8.230 nan 0.000 0.431 218 V N 3.393 123.162 119.914 -0.241 0.000 2.483 218 V HA 0.459 4.579 4.120 0.000 0.000 0.297 218 V C -0.810 175.043 176.094 -0.401 0.000 1.027 218 V CA -0.476 61.709 62.300 -0.192 0.000 0.855 218 V CB 1.686 33.444 31.823 -0.109 0.000 0.995 218 V HN 0.375 nan 8.190 nan 0.000 0.424 219 F N 2.101 122.079 119.950 0.046 0.000 2.507 219 F HA 0.766 5.293 4.527 0.000 0.000 0.325 219 F C 0.724 176.540 175.800 0.027 0.000 1.116 219 F CA -0.631 57.399 58.000 0.050 0.000 0.930 219 F CB 2.482 41.504 39.000 0.038 0.000 1.146 219 F HN 0.546 nan 8.300 nan 0.000 0.447 220 G N 3.781 112.702 108.800 0.202 0.000 4.370 220 G HA2 0.277 4.237 3.960 0.000 0.000 0.295 220 G HA3 0.277 4.237 3.960 0.000 0.000 0.295 220 G C -0.556 174.420 174.900 0.127 0.000 1.312 220 G CA -0.452 44.723 45.100 0.125 0.000 0.845 220 G HN 0.348 nan 8.290 nan 0.000 0.531 221 Q N 0.530 120.421 119.800 0.153 0.000 2.370 221 Q HA 0.210 4.550 4.340 0.000 0.000 0.186 221 Q C 1.976 178.019 176.000 0.071 0.000 1.093 221 Q CA -0.484 55.398 55.803 0.131 0.000 1.142 221 Q CB 0.564 29.380 28.738 0.131 0.000 1.175 221 Q HN 0.664 nan 8.270 nan 0.000 0.625 222 M N -0.272 119.361 119.600 0.056 0.000 2.659 222 M HA -0.001 4.479 4.480 0.000 0.000 0.243 222 M C 0.685 176.997 176.300 0.019 0.000 1.111 222 M CA 0.866 56.184 55.300 0.031 0.000 1.070 222 M CB -0.235 32.380 32.600 0.025 0.000 1.525 222 M HN 0.343 nan 8.290 nan 0.000 0.517 223 N N 0.964 119.677 118.700 0.021 0.000 2.395 223 N HA -0.011 4.729 4.740 0.000 0.000 0.175 223 N C -0.161 175.356 175.510 0.012 0.000 1.029 223 N CA 0.438 53.495 53.050 0.013 0.000 0.897 223 N CB -0.442 38.050 38.487 0.009 0.000 0.991 223 N HN 0.563 nan 8.380 nan 0.000 0.441 224 E N 2.650 122.861 120.200 0.018 0.000 2.373 224 E HA 0.165 4.515 4.350 0.000 0.000 0.267 224 E C -2.098 174.507 176.600 0.009 0.000 1.032 224 E CA -1.730 54.681 56.400 0.017 0.000 0.889 224 E CB 0.299 30.015 29.700 0.028 0.000 0.984 224 E HN 0.312 nan 8.360 nan 0.000 0.425 225 P HA -0.039 nan 4.420 nan 0.000 0.269 225 P C -2.182 175.112 177.300 -0.009 0.000 1.217 225 P CA -1.080 62.018 63.100 -0.003 0.000 0.783 225 P CB 0.040 31.740 31.700 -0.000 0.000 0.898 226 P HA -0.252 nan 4.420 nan 0.000 0.216 226 P C 1.726 179.006 177.300 -0.034 0.000 1.167 226 P CA 2.538 65.616 63.100 -0.037 0.000 0.914 226 P CB -0.695 30.980 31.700 -0.041 0.000 0.793 227 G N -0.161 108.627 108.800 -0.019 0.000 2.529 227 G HA2 -0.335 3.625 3.960 0.000 0.000 0.219 227 G HA3 -0.335 3.625 3.960 0.000 0.000 0.219 227 G C 1.704 176.606 174.900 0.004 0.000 1.177 227 G CA 1.507 46.602 45.100 -0.007 0.000 0.773 227 G HN 0.399 nan 8.290 nan 0.000 0.573 228 A N 0.423 123.248 122.820 0.008 0.000 1.908 228 A HA -0.050 4.270 4.320 0.000 0.000 0.218 228 A C 2.454 180.052 177.584 0.022 0.000 1.181 228 A CA 1.908 53.956 52.037 0.018 0.000 0.627 228 A CB -0.418 18.593 19.000 0.019 0.000 0.818 228 A HN 0.371 nan 8.150 nan 0.000 0.445 229 R N -0.868 119.639 120.500 0.011 0.000 2.115 229 R HA 0.036 4.376 4.340 0.000 0.000 0.226 229 R C 2.383 178.698 176.300 0.025 0.000 1.100 229 R CA 1.003 57.112 56.100 0.015 0.000 0.980 229 R CB -0.319 29.977 30.300 -0.007 0.000 0.875 229 R HN 0.525 nan 8.270 nan 0.000 0.445 230 A N 0.633 123.448 122.820 -0.008 0.000 1.929 230 A HA -0.081 4.239 4.320 0.000 0.000 0.216 230 A C 1.826 179.498 177.584 0.146 0.000 1.176 230 A CA 1.036 53.057 52.037 -0.027 0.000 0.628 230 A CB -0.052 18.873 19.000 -0.124 0.000 0.816 230 A HN 0.077 nan 8.150 nan 0.000 0.444 231 R N -1.019 119.538 120.500 0.095 0.000 2.265 231 R HA 0.101 4.441 4.340 0.000 0.000 0.194 231 R C 1.864 178.187 176.300 0.038 0.000 0.931 231 R CA 0.857 57.009 56.100 0.086 0.000 1.032 231 R CB -0.945 29.386 30.300 0.051 0.000 0.980 231 R HN 0.398 nan 8.270 nan 0.000 0.497 232 V N 1.506 121.445 119.914 0.042 0.000 2.490 232 V HA -0.185 3.935 4.120 0.000 0.000 0.250 232 V C 2.148 178.233 176.094 -0.015 0.000 1.061 232 V CA 1.988 64.295 62.300 0.012 0.000 1.064 232 V CB -0.375 31.463 31.823 0.025 0.000 0.670 232 V HN 0.300 nan 8.190 nan 0.000 0.461 233 A N -0.338 122.486 122.820 0.006 0.000 1.972 233 A HA -0.103 4.217 4.320 0.000 0.000 0.219 233 A C 2.073 179.593 177.584 -0.107 0.000 1.169 233 A CA 1.943 53.942 52.037 -0.063 0.000 0.635 233 A CB -0.450 18.503 19.000 -0.078 0.000 0.810 233 A HN 0.614 nan 8.150 nan 0.000 0.446 234 L N -1.309 119.861 121.223 -0.088 0.000 2.131 234 L HA -0.089 4.251 4.340 0.000 0.000 0.206 234 L C 2.693 179.495 176.870 -0.113 0.000 1.087 234 L CA 1.411 56.177 54.840 -0.123 0.000 0.767 234 L CB -1.182 40.784 42.059 -0.154 0.000 0.917 234 L HN 0.250 nan 8.230 nan 0.000 0.441 235 T N 0.391 114.890 114.554 -0.092 0.000 2.580 235 T HA -0.202 4.148 4.350 0.000 0.000 0.265 235 T C 1.892 176.555 174.700 -0.061 0.000 1.063 235 T CA 1.857 63.912 62.100 -0.075 0.000 1.170 235 T CB -0.761 68.076 68.868 -0.052 0.000 0.863 235 T HN 0.567 nan 8.240 nan 0.000 0.418 236 G N 1.031 109.793 108.800 -0.063 0.000 2.422 236 G HA2 -0.138 3.822 3.960 0.000 0.000 0.218 236 G HA3 -0.138 3.822 3.960 0.000 0.000 0.218 236 G C 1.556 176.432 174.900 -0.040 0.000 1.146 236 G CA 0.910 45.979 45.100 -0.053 0.000 0.769 236 G HN 0.424 nan 8.290 nan 0.000 0.547 237 L N 1.078 122.260 121.223 -0.068 0.000 2.017 237 L HA -0.012 4.328 4.340 0.000 0.000 0.208 237 L C 2.880 179.729 176.870 -0.034 0.000 1.073 237 L CA 2.702 57.503 54.840 -0.065 0.000 0.745 237 L CB -1.070 40.926 42.059 -0.106 0.000 0.894 237 L HN 0.177 nan 8.230 nan 0.000 0.432 238 T N 0.253 114.779 114.554 -0.047 0.000 2.759 238 T HA -0.197 4.153 4.350 0.000 0.000 0.269 238 T C 1.984 176.676 174.700 -0.013 0.000 1.042 238 T CA 2.079 64.158 62.100 -0.035 0.000 1.140 238 T CB -0.477 68.357 68.868 -0.057 0.000 0.864 238 T HN 0.360 nan 8.240 nan 0.000 0.455 239 I N 1.519 122.084 120.570 -0.008 0.000 2.127 239 I HA -0.209 3.961 4.170 0.000 0.000 0.241 239 I C 2.980 179.175 176.117 0.130 0.000 1.075 239 I CA 1.325 62.633 61.300 0.013 0.000 1.334 239 I CB -0.571 37.467 38.000 0.063 0.000 1.040 239 I HN 0.206 nan 8.210 nan 0.000 0.405 240 A N 0.141 123.070 122.820 0.182 0.000 2.070 240 A HA -0.216 4.104 4.320 0.000 0.000 0.220 240 A C 2.159 179.867 177.584 0.206 0.000 1.159 240 A CA 1.615 53.811 52.037 0.265 0.000 0.656 240 A CB -0.561 18.510 19.000 0.117 0.000 0.800 240 A HN 0.493 nan 8.150 nan 0.000 0.453 241 E N -1.989 118.269 120.200 0.097 0.000 2.158 241 E HA -0.138 4.212 4.350 0.000 0.000 0.191 241 E C 1.723 178.345 176.600 0.037 0.000 0.982 241 E CA 0.988 57.418 56.400 0.051 0.000 0.823 241 E CB -0.228 29.480 29.700 0.013 0.000 0.766 241 E HN 0.818 nan 8.360 nan 0.000 0.468 242 Y N 0.410 120.630 120.300 -0.133 0.000 2.114 242 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 242 Y C 1.781 177.561 175.900 -0.199 0.000 1.143 242 Y CA 1.609 59.569 58.100 -0.234 0.000 1.135 242 Y CB -0.197 38.015 38.460 -0.413 0.000 0.980 242 Y HN -0.052 nan 8.280 nan 0.000 0.499 243 F N 0.302 120.348 119.950 0.160 0.000 2.192 243 F HA -0.226 4.301 4.527 0.000 0.000 0.301 243 F C 2.669 178.500 175.800 0.051 0.000 1.079 243 F CA 1.920 59.978 58.000 0.097 0.000 1.303 243 F CB -0.739 38.326 39.000 0.108 0.000 1.024 243 F HN 0.022 nan 8.300 nan 0.000 0.494 244 R N 0.535 121.148 120.500 0.187 0.000 2.055 244 R HA -0.134 4.206 4.340 0.000 0.000 0.228 244 R C 1.771 178.071 176.300 -0.001 0.000 1.143 244 R CA 2.082 58.237 56.100 0.092 0.000 0.945 244 R CB -0.390 29.946 30.300 0.060 0.000 0.841 244 R HN 0.113 nan 8.270 nan 0.000 0.429 245 D N 0.106 120.456 120.400 -0.084 0.000 2.103 245 D HA -0.099 4.541 4.640 0.000 0.000 0.199 245 D C 1.644 177.813 176.300 -0.218 0.000 0.978 245 D CA 1.133 55.048 54.000 -0.143 0.000 0.829 245 D CB 0.009 40.711 40.800 -0.163 0.000 0.981 245 D HN 0.282 nan 8.370 nan 0.000 0.464 246 E N -0.105 119.843 120.200 -0.421 0.000 2.431 246 E HA 0.026 4.376 4.350 0.000 0.000 0.200 246 E C 1.276 177.709 176.600 -0.279 0.000 0.995 246 E CA 0.212 56.305 56.400 -0.512 0.000 0.915 246 E CB 0.452 29.464 29.700 -1.147 0.000 0.930 246 E HN 0.207 nan 8.360 nan 0.000 0.496 247 E N 0.357 120.474 120.200 -0.138 0.000 2.452 247 E HA 0.143 4.493 4.350 0.000 0.000 0.197 247 E C 0.540 177.205 176.600 0.107 0.000 1.022 247 E CA 0.498 56.948 56.400 0.084 0.000 0.890 247 E CB 0.307 30.174 29.700 0.279 0.000 0.918 247 E HN 0.224 nan 8.360 nan 0.000 0.496 248 G N 1.720 110.549 108.800 0.048 0.000 2.372 248 G HA2 -0.335 3.625 3.960 0.000 0.000 0.290 248 G HA3 -0.335 3.625 3.960 0.000 0.000 0.290 248 G C -0.059 174.896 174.900 0.092 0.000 0.965 248 G CA 1.224 46.353 45.100 0.049 0.000 1.263 248 G HN 0.334 nan 8.290 nan 0.000 0.498 249 Q N -1.046 118.836 119.800 0.138 0.000 2.831 249 Q HA 0.478 4.818 4.340 0.000 0.000 0.322 249 Q C -1.371 174.722 176.000 0.155 0.000 0.923 249 Q CA -0.914 54.981 55.803 0.155 0.000 0.767 249 Q CB 1.361 30.254 28.738 0.258 0.000 1.469 249 Q HN 0.242 nan 8.270 nan 0.000 0.496 250 D N 0.767 121.254 120.400 0.145 0.000 2.396 250 D HA 0.315 4.955 4.640 0.000 0.000 0.225 250 D C -1.116 175.316 176.300 0.219 0.000 1.121 250 D CA -0.126 53.984 54.000 0.183 0.000 0.853 250 D CB 1.151 42.093 40.800 0.235 0.000 1.043 250 D HN 0.084 nan 8.370 nan 0.000 0.500 251 V N 3.137 123.134 119.914 0.138 0.000 2.509 251 V HA 0.315 4.435 4.120 0.000 0.000 0.284 251 V C 0.247 176.308 176.094 -0.055 0.000 1.047 251 V CA -0.805 61.544 62.300 0.082 0.000 0.952 251 V CB 1.227 33.123 31.823 0.121 0.000 0.988 251 V HN 0.438 nan 8.190 nan 0.000 0.469 252 L N 5.511 126.663 121.223 -0.119 0.000 2.356 252 L HA 0.443 4.783 4.340 0.000 0.000 0.264 252 L C -0.661 176.049 176.870 -0.268 0.000 1.029 252 L CA -0.443 54.229 54.840 -0.280 0.000 0.897 252 L CB 1.285 43.150 42.059 -0.324 0.000 1.256 252 L HN 0.504 nan 8.230 nan 0.000 0.444 253 L N 3.661 124.700 121.223 -0.307 0.000 2.268 253 L HA 0.474 4.814 4.340 0.000 0.000 0.289 253 L C -0.826 175.834 176.870 -0.350 0.000 1.064 253 L CA 0.338 55.052 54.840 -0.211 0.000 0.824 253 L CB 0.138 42.115 42.059 -0.137 0.000 1.202 253 L HN 0.132 nan 8.230 nan 0.000 0.433 254 F N 5.939 125.813 119.950 -0.127 0.000 2.408 254 F HA 0.545 5.072 4.527 0.000 0.000 0.344 254 F C 0.259 175.793 175.800 -0.442 0.000 1.112 254 F CA -0.339 57.530 58.000 -0.217 0.000 1.096 254 F CB 0.918 39.865 39.000 -0.088 0.000 1.129 254 F HN 0.272 nan 8.300 nan 0.000 0.486 255 I N 2.341 122.763 120.570 -0.246 0.000 2.569 255 I HA 0.473 4.643 4.170 0.000 0.000 0.296 255 I C -1.302 174.640 176.117 -0.292 0.000 1.028 255 I CA -0.731 60.371 61.300 -0.330 0.000 1.082 255 I CB 2.252 40.115 38.000 -0.227 0.000 1.264 255 I HN 0.421 nan 8.210 nan 0.000 0.429 256 D N 4.131 124.356 120.400 -0.291 0.000 2.548 256 D HA 0.181 4.821 4.640 0.000 0.000 0.214 256 D C -1.694 174.598 176.300 -0.013 0.000 1.345 256 D CA -0.353 53.584 54.000 -0.105 0.000 0.945 256 D CB 1.133 41.909 40.800 -0.040 0.000 1.499 256 D HN 0.453 nan 8.370 nan 0.000 0.579 257 N N 3.907 122.634 118.700 0.045 0.000 2.321 257 N HA 0.249 4.989 4.740 0.000 0.000 0.299 257 N C 0.676 176.228 175.510 0.071 0.000 1.048 257 N CA -0.548 52.542 53.050 0.066 0.000 0.836 257 N CB 1.780 40.360 38.487 0.154 0.000 1.269 257 N HN 0.451 nan 8.380 nan 0.000 0.486 258 I N 3.545 124.138 120.570 0.039 0.000 2.361 258 I HA -0.111 4.059 4.170 0.000 0.000 0.251 258 I C 1.756 177.966 176.117 0.155 0.000 1.133 258 I CA 0.980 62.301 61.300 0.035 0.000 1.413 258 I CB -0.399 37.562 38.000 -0.065 0.000 1.073 258 I HN 0.631 nan 8.210 nan 0.000 0.424 259 F N 1.634 121.631 119.950 0.079 0.000 2.202 259 F HA -0.234 4.293 4.527 0.000 0.000 0.301 259 F C 2.277 178.158 175.800 0.136 0.000 1.082 259 F CA 1.483 59.567 58.000 0.140 0.000 1.313 259 F CB -0.371 38.759 39.000 0.216 0.000 1.024 259 F HN 0.003 nan 8.300 nan 0.000 0.495 260 R N -0.108 120.367 120.500 -0.041 0.000 2.148 260 R HA -0.183 4.157 4.340 0.000 0.000 0.227 260 R C 2.165 178.390 176.300 -0.125 0.000 1.103 260 R CA 1.304 57.311 56.100 -0.155 0.000 0.983 260 R CB -1.799 28.497 30.300 -0.008 0.000 0.874 260 R HN 0.483 nan 8.270 nan 0.000 0.451 261 F N 2.018 121.877 119.950 -0.151 0.000 2.102 261 F HA -0.199 4.328 4.527 0.000 0.000 0.298 261 F C 1.918 177.633 175.800 -0.142 0.000 1.105 261 F CA 1.841 59.769 58.000 -0.119 0.000 1.239 261 F CB -0.393 38.553 39.000 -0.090 0.000 0.991 261 F HN -0.102 nan 8.300 nan 0.000 0.474 262 T N 0.298 114.736 114.554 -0.194 0.000 2.777 262 T HA -0.214 4.136 4.350 0.000 0.000 0.266 262 T C 1.901 176.413 174.700 -0.314 0.000 1.040 262 T CA 1.438 63.378 62.100 -0.268 0.000 1.141 262 T CB -0.407 68.429 68.868 -0.053 0.000 0.868 262 T HN 0.456 nan 8.240 nan 0.000 0.444 263 Q N 0.856 120.349 119.800 -0.511 0.000 2.020 263 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 263 Q C 2.546 178.395 176.000 -0.252 0.000 0.982 263 Q CA 1.581 57.116 55.803 -0.448 0.000 0.838 263 Q CB -0.324 27.960 28.738 -0.757 0.000 0.899 263 Q HN 0.516 nan 8.270 nan 0.000 0.423 264 A N 0.641 123.306 122.820 -0.258 0.000 1.902 264 A HA -0.123 4.197 4.320 0.000 0.000 0.217 264 A C 2.320 179.783 177.584 -0.202 0.000 1.181 264 A CA 1.670 53.594 52.037 -0.189 0.000 0.623 264 A CB -1.433 17.470 19.000 -0.162 0.000 0.818 264 A HN 0.627 nan 8.150 nan 0.000 0.443 265 G N -1.013 107.599 108.800 -0.313 0.000 2.475 265 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 265 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 265 G C 1.884 176.692 174.900 -0.153 0.000 1.125 265 G CA 1.541 46.460 45.100 -0.302 0.000 0.755 265 G HN 0.543 nan 8.290 nan 0.000 0.565 266 S N -0.219 115.417 115.700 -0.107 0.000 2.395 266 S HA -0.021 4.449 4.470 0.000 0.000 0.225 266 S C 2.235 176.800 174.600 -0.058 0.000 1.027 266 S CA 1.235 59.413 58.200 -0.035 0.000 0.965 266 S CB -0.216 62.994 63.200 0.016 0.000 0.812 266 S HN 0.562 nan 8.310 nan 0.000 0.482 267 E N 0.641 120.795 120.200 -0.077 0.000 2.058 267 E HA -0.146 4.204 4.350 0.000 0.000 0.194 267 E C 2.231 178.801 176.600 -0.050 0.000 0.997 267 E CA 1.847 58.210 56.400 -0.063 0.000 0.801 267 E CB -0.371 29.290 29.700 -0.065 0.000 0.746 267 E HN 0.638 nan 8.360 nan 0.000 0.450 268 V N -0.966 118.914 119.914 -0.057 0.000 2.379 268 V HA -0.159 3.961 4.120 0.000 0.000 0.245 268 V C 2.396 178.470 176.094 -0.033 0.000 1.044 268 V CA 1.777 64.051 62.300 -0.043 0.000 1.036 268 V CB -0.642 31.152 31.823 -0.048 0.000 0.664 268 V HN 0.133 nan 8.190 nan 0.000 0.453 269 S N 1.089 116.767 115.700 -0.037 0.000 2.400 269 S HA -0.276 4.194 4.470 0.000 0.000 0.234 269 S C 2.081 176.674 174.600 -0.012 0.000 1.049 269 S CA 2.249 60.437 58.200 -0.021 0.000 1.039 269 S CB -0.692 62.500 63.200 -0.012 0.000 0.856 269 S HN 1.042 nan 8.310 nan 0.000 0.465 270 A N 1.179 123.989 122.820 -0.016 0.000 1.835 270 A HA 0.042 4.362 4.320 0.000 0.000 0.215 270 A C 2.240 179.818 177.584 -0.009 0.000 1.199 270 A CA 1.548 53.577 52.037 -0.012 0.000 0.615 270 A CB -1.088 17.900 19.000 -0.018 0.000 0.838 270 A HN 0.562 nan 8.150 nan 0.000 0.444 271 L N -0.410 120.805 121.223 -0.012 0.000 2.456 271 L HA -0.003 4.337 4.340 0.000 0.000 0.224 271 L C 1.683 178.551 176.870 -0.004 0.000 1.148 271 L CA 0.349 55.184 54.840 -0.008 0.000 0.825 271 L CB -0.151 41.902 42.059 -0.010 0.000 0.937 271 L HN 0.382 nan 8.230 nan 0.000 0.450 272 L N -0.199 121.021 121.223 -0.006 0.000 2.610 272 L HA 0.106 4.446 4.340 0.000 0.000 0.232 272 L C 1.001 177.872 176.870 0.002 0.000 1.149 272 L CA 0.316 55.155 54.840 -0.001 0.000 0.872 272 L CB -0.666 41.391 42.059 -0.004 0.000 0.992 272 L HN 0.377 nan 8.230 nan 0.000 0.447 273 G N 1.535 110.336 108.800 0.002 0.000 2.415 273 G HA2 -0.269 3.691 3.960 0.000 0.000 0.283 273 G HA3 -0.269 3.691 3.960 0.000 0.000 0.283 273 G C -0.220 174.684 174.900 0.005 0.000 1.014 273 G CA -0.187 44.916 45.100 0.004 0.000 1.323 273 G HN 0.429 nan 8.290 nan 0.000 0.502 274 R N -0.144 120.359 120.500 0.005 0.000 2.621 274 R HA 0.516 4.856 4.340 0.000 0.000 0.284 274 R C 0.452 176.758 176.300 0.010 0.000 0.998 274 R CA -1.129 54.976 56.100 0.008 0.000 0.895 274 R CB 1.666 31.971 30.300 0.008 0.000 1.195 274 R HN 0.308 nan 8.270 nan 0.000 0.450 275 I N 4.657 125.235 120.570 0.013 0.000 2.517 275 I HA 0.098 4.268 4.170 0.000 0.000 0.285 275 I C -1.599 174.531 176.117 0.021 0.000 1.106 275 I CA -1.454 59.855 61.300 0.015 0.000 1.402 275 I CB 0.347 38.356 38.000 0.015 0.000 1.399 275 I HN 0.266 nan 8.210 nan 0.000 0.535 276 P HA 0.061 nan 4.420 nan 0.000 0.271 276 P C -0.101 177.226 177.300 0.045 0.000 1.220 276 P CA -0.084 63.034 63.100 0.029 0.000 0.768 276 P CB 1.424 33.131 31.700 0.013 0.000 0.848 277 S N 2.641 118.384 115.700 0.073 0.000 2.207 277 S HA 0.427 4.897 4.470 0.000 0.000 0.226 277 S C 0.412 175.074 174.600 0.104 0.000 1.286 277 S CA -0.046 58.206 58.200 0.087 0.000 1.004 277 S CB -0.324 62.938 63.200 0.103 0.000 0.907 277 S HN 0.611 nan 8.310 nan 0.000 0.443 278 A N 0.223 123.122 122.820 0.132 0.000 2.488 278 A HA 0.453 4.773 4.320 0.000 0.000 0.249 278 A C 0.785 178.505 177.584 0.227 0.000 1.083 278 A CA 0.154 52.279 52.037 0.146 0.000 0.768 278 A CB -0.580 18.499 19.000 0.131 0.000 1.017 278 A HN 1.513 nan 8.150 nan 0.000 0.496 279 V N 1.821 121.824 119.914 0.148 0.000 4.935 279 V HA -0.300 3.820 4.120 0.000 0.000 0.273 279 V C 1.653 177.721 176.094 -0.042 0.000 0.517 279 V CA 1.699 64.061 62.300 0.104 0.000 0.745 279 V CB -2.462 29.488 31.823 0.211 0.000 0.647 279 V HN 2.814 nan 8.190 nan 0.000 1.220 280 G N -2.551 106.240 108.800 -0.014 0.000 2.153 280 G HA2 -0.347 3.613 3.960 0.000 0.000 0.252 280 G HA3 -0.347 3.613 3.960 0.000 0.000 0.252 280 G C -0.156 174.675 174.900 -0.114 0.000 0.994 280 G CA 0.617 45.671 45.100 -0.077 0.000 0.698 280 G HN 0.835 nan 8.290 nan 0.000 0.521 281 Y N 0.059 120.381 120.300 0.037 0.000 2.344 281 Y HA 0.532 5.082 4.550 0.000 0.000 0.330 281 Y C 1.261 177.168 175.900 0.011 0.000 1.330 281 Y CA -0.369 57.748 58.100 0.029 0.000 1.479 281 Y CB 0.462 38.953 38.460 0.052 0.000 1.428 281 Y HN 0.340 nan 8.280 nan 0.000 0.544 282 Q N 1.493 121.426 119.800 0.222 0.000 2.327 282 Q HA 0.203 4.543 4.340 0.000 0.000 0.254 282 Q C -2.062 173.992 176.000 0.090 0.000 0.952 282 Q CA -1.521 54.342 55.803 0.099 0.000 0.884 282 Q CB 0.257 29.023 28.738 0.046 0.000 1.224 282 Q HN 0.279 nan 8.270 nan 0.000 0.422 283 P HA -0.151 nan 4.420 nan 0.000 0.218 283 P C 0.625 177.951 177.300 0.044 0.000 1.149 283 P CA 1.224 64.355 63.100 0.051 0.000 0.817 283 P CB 0.105 31.828 31.700 0.038 0.000 0.785 284 T N -3.347 111.229 114.554 0.037 0.000 3.148 284 T HA 0.050 4.400 4.350 0.000 0.000 0.253 284 T C 1.602 176.330 174.700 0.047 0.000 1.134 284 T CA -0.086 62.036 62.100 0.037 0.000 1.051 284 T CB -1.117 67.769 68.868 0.029 0.000 0.959 284 T HN 0.011 nan 8.240 nan 0.000 0.525 285 L N 0.791 122.038 121.223 0.040 0.000 2.064 285 L HA -0.198 4.142 4.340 0.000 0.000 0.216 285 L C 2.755 179.662 176.870 0.062 0.000 1.077 285 L CA 1.949 56.808 54.840 0.031 0.000 0.766 285 L CB -0.698 41.347 42.059 -0.023 0.000 0.890 285 L HN 0.411 nan 8.230 nan 0.000 0.435 286 A N -0.664 122.195 122.820 0.064 0.000 1.855 286 A HA -0.205 4.115 4.320 0.000 0.000 0.215 286 A C 2.311 179.961 177.584 0.110 0.000 1.191 286 A CA 2.177 54.268 52.037 0.091 0.000 0.613 286 A CB -1.171 17.872 19.000 0.073 0.000 0.829 286 A HN 0.606 nan 8.150 nan 0.000 0.442 287 T N -2.886 111.720 114.554 0.087 0.000 3.023 287 T HA -0.044 4.306 4.350 0.000 0.000 0.266 287 T C 1.229 175.986 174.700 0.095 0.000 1.093 287 T CA 1.230 63.380 62.100 0.084 0.000 1.129 287 T CB -0.272 68.633 68.868 0.061 0.000 0.899 287 T HN 0.278 nan 8.240 nan 0.000 0.491 288 D N 1.185 121.656 120.400 0.119 0.000 2.084 288 D HA -0.016 4.624 4.640 0.000 0.000 0.194 288 D C 1.943 178.373 176.300 0.216 0.000 0.990 288 D CA 1.056 55.176 54.000 0.201 0.000 0.826 288 D CB -0.392 40.536 40.800 0.213 0.000 0.971 288 D HN 0.328 nan 8.370 nan 0.000 0.453 289 M N 0.220 119.921 119.600 0.167 0.000 2.159 289 M HA -0.090 4.390 4.480 0.000 0.000 0.263 289 M C 1.994 178.179 176.300 -0.191 0.000 1.063 289 M CA 1.822 57.106 55.300 -0.026 0.000 1.110 289 M CB -0.174 32.412 32.600 -0.024 0.000 1.374 289 M HN 0.049 nan 8.290 nan 0.000 0.411 290 G N 0.209 109.001 108.800 -0.013 0.000 2.418 290 G HA2 -0.204 3.756 3.960 0.000 0.000 0.217 290 G HA3 -0.204 3.756 3.960 0.000 0.000 0.217 290 G C 1.350 176.260 174.900 0.015 0.000 1.158 290 G CA 0.538 45.685 45.100 0.079 0.000 0.771 290 G HN 0.437 nan 8.290 nan 0.000 0.545 291 L N -0.371 120.861 121.223 0.015 0.000 2.362 291 L HA 0.085 4.425 4.340 0.000 0.000 0.219 291 L C 2.420 179.260 176.870 -0.049 0.000 1.134 291 L CA 0.176 55.022 54.840 0.011 0.000 0.807 291 L CB 0.010 42.101 42.059 0.052 0.000 0.927 291 L HN 0.285 nan 8.230 nan 0.000 0.447 292 L N -1.780 119.353 121.223 -0.150 0.000 2.265 292 L HA 0.010 4.350 4.340 0.000 0.000 0.195 292 L C 2.364 179.089 176.870 -0.241 0.000 1.083 292 L CA 1.284 55.961 54.840 -0.273 0.000 0.798 292 L CB -0.541 41.159 42.059 -0.599 0.000 0.989 292 L HN 0.030 nan 8.230 nan 0.000 0.472 293 Q N 0.296 119.924 119.800 -0.286 0.000 2.124 293 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 293 Q C 2.031 177.982 176.000 -0.082 0.000 0.977 293 Q CA 1.436 57.092 55.803 -0.245 0.000 0.850 293 Q CB -0.240 28.212 28.738 -0.476 0.000 0.901 293 Q HN 0.604 nan 8.270 nan 0.000 0.429 294 E N 0.460 120.648 120.200 -0.021 0.000 2.204 294 E HA -0.126 4.224 4.350 0.000 0.000 0.194 294 E C 1.969 178.566 176.600 -0.006 0.000 0.989 294 E CA 0.481 56.900 56.400 0.031 0.000 0.824 294 E CB 0.036 29.772 29.700 0.060 0.000 0.756 294 E HN 0.327 nan 8.360 nan 0.000 0.477 295 R N 0.348 120.826 120.500 -0.037 0.000 2.092 295 R HA 0.033 4.373 4.340 0.000 0.000 0.231 295 R C 1.223 177.494 176.300 -0.048 0.000 1.119 295 R CA 0.496 56.572 56.100 -0.040 0.000 0.970 295 R CB -0.170 30.098 30.300 -0.053 0.000 0.864 295 R HN 0.094 nan 8.270 nan 0.000 0.440 296 I N 2.010 122.538 120.570 -0.071 0.000 2.472 296 I HA -0.013 4.157 4.170 0.000 0.000 0.305 296 I C 0.216 176.300 176.117 -0.056 0.000 1.196 296 I CA 0.410 61.663 61.300 -0.078 0.000 1.613 296 I CB -0.172 37.759 38.000 -0.115 0.000 1.501 296 I HN 0.001 nan 8.210 nan 0.000 0.754 297 T N 2.804 117.333 114.554 -0.042 0.000 2.843 297 T HA 0.330 4.680 4.350 0.000 0.000 0.302 297 T C -0.365 174.317 174.700 -0.029 0.000 1.232 297 T CA -0.370 61.711 62.100 -0.032 0.000 1.009 297 T CB 1.938 70.794 68.868 -0.020 0.000 1.254 297 T HN 0.263 nan 8.240 nan 0.000 0.504 298 T N 3.107 117.645 114.554 -0.027 0.000 2.728 298 T HA 0.550 4.900 4.350 0.000 0.000 0.296 298 T C 0.448 175.132 174.700 -0.028 0.000 0.940 298 T CA -0.314 61.773 62.100 -0.022 0.000 1.013 298 T CB 0.437 69.293 68.868 -0.020 0.000 0.912 298 T HN 0.825 nan 8.240 nan 0.000 0.484 299 T N 0.925 115.463 114.554 -0.026 0.000 2.870 299 T HA 0.475 4.825 4.350 0.000 0.000 0.277 299 T C 1.135 175.816 174.700 -0.031 0.000 1.000 299 T CA -0.937 61.143 62.100 -0.034 0.000 0.982 299 T CB 1.142 69.990 68.868 -0.034 0.000 1.249 299 T HN 0.311 nan 8.240 nan 0.000 0.589 300 K N -0.126 120.251 120.400 -0.038 0.000 2.439 300 K HA 0.115 4.435 4.320 0.000 0.000 0.197 300 K C 1.908 178.493 176.600 -0.026 0.000 1.041 300 K CA 0.681 56.948 56.287 -0.033 0.000 0.970 300 K CB 0.022 32.498 32.500 -0.039 0.000 0.773 300 K HN 0.457 nan 8.250 nan 0.000 0.479 301 K N -0.212 120.172 120.400 -0.027 0.000 2.400 301 K HA 0.108 4.428 4.320 0.000 0.000 0.194 301 K C 0.441 177.033 176.600 -0.014 0.000 1.033 301 K CA 0.352 56.623 56.287 -0.027 0.000 1.021 301 K CB 0.917 33.394 32.500 -0.039 0.000 0.808 301 K HN 0.176 nan 8.250 nan 0.000 0.505 302 G N 0.365 109.163 108.800 -0.004 0.000 2.384 302 G HA2 0.010 3.970 3.960 0.000 0.000 0.300 302 G HA3 0.010 3.970 3.960 0.000 0.000 0.300 302 G C -1.606 173.306 174.900 0.020 0.000 1.582 302 G CA -0.748 44.362 45.100 0.017 0.000 0.875 302 G HN -0.104 nan 8.290 nan 0.000 0.628 303 S N -0.834 114.885 115.700 0.033 0.000 2.513 303 S HA 0.641 5.111 4.470 0.000 0.000 0.276 303 S C -0.137 174.484 174.600 0.035 0.000 1.254 303 S CA -0.424 57.794 58.200 0.029 0.000 1.053 303 S CB 0.905 64.127 63.200 0.037 0.000 0.958 303 S HN 1.108 nan 8.310 nan 0.000 0.491 304 V N 5.614 125.531 119.914 0.004 0.000 2.462 304 V HA 0.326 4.446 4.120 0.000 0.000 0.288 304 V C -0.198 175.854 176.094 -0.070 0.000 1.020 304 V CA -0.796 61.490 62.300 -0.023 0.000 0.857 304 V CB 1.665 33.476 31.823 -0.021 0.000 1.013 304 V HN 0.921 nan 8.190 nan 0.000 0.431 305 T N 3.448 117.936 114.554 -0.110 0.000 2.771 305 T HA 0.496 4.846 4.350 0.000 0.000 0.291 305 T C 0.194 174.731 174.700 -0.272 0.000 0.954 305 T CA -0.369 61.629 62.100 -0.169 0.000 1.045 305 T CB 1.059 69.824 68.868 -0.172 0.000 0.917 305 T HN 0.800 nan 8.240 nan 0.000 0.484 306 S N 1.736 117.272 115.700 -0.272 0.000 2.707 306 S HA 0.598 5.068 4.470 0.000 0.000 0.303 306 S C -0.639 173.752 174.600 -0.348 0.000 1.132 306 S CA -0.854 57.150 58.200 -0.328 0.000 1.046 306 S CB 0.990 64.052 63.200 -0.230 0.000 1.004 306 S HN 0.414 nan 8.310 nan 0.000 0.483 307 V N 3.915 123.569 119.914 -0.434 0.000 2.370 307 V HA 0.464 4.584 4.120 0.000 0.000 0.279 307 V C -0.322 175.655 176.094 -0.194 0.000 1.029 307 V CA -0.412 61.714 62.300 -0.290 0.000 0.870 307 V CB 1.099 32.826 31.823 -0.161 0.000 0.984 307 V HN 0.950 nan 8.190 nan 0.000 0.451 308 Q N 3.363 123.042 119.800 -0.203 0.000 2.309 308 Q HA 0.693 5.033 4.340 0.000 0.000 0.270 308 Q C -0.372 175.499 176.000 -0.214 0.000 1.023 308 Q CA -0.544 55.140 55.803 -0.200 0.000 0.758 308 Q CB 2.389 30.988 28.738 -0.232 0.000 1.247 308 Q HN 0.860 nan 8.270 nan 0.000 0.455 309 A N 2.441 125.181 122.820 -0.133 0.000 2.409 309 A HA 0.499 4.819 4.320 0.000 0.000 0.262 309 A C -0.177 177.317 177.584 -0.149 0.000 1.113 309 A CA -0.328 51.641 52.037 -0.114 0.000 0.790 309 A CB 0.428 19.433 19.000 0.008 0.000 1.046 309 A HN 0.502 nan 8.150 nan 0.000 0.496 310 V N 3.550 123.311 119.914 -0.256 0.000 2.376 310 V HA 0.194 4.314 4.120 0.000 0.000 0.287 310 V C -0.505 175.554 176.094 -0.057 0.000 1.015 310 V CA -0.583 61.571 62.300 -0.243 0.000 0.834 310 V CB 0.634 32.006 31.823 -0.751 0.000 1.001 310 V HN 0.801 nan 8.190 nan 0.000 0.428 311 Y N 4.804 125.085 120.300 -0.032 0.000 2.425 311 Y HA 0.444 4.994 4.550 0.000 0.000 0.331 311 Y C 0.021 175.756 175.900 -0.275 0.000 1.157 311 Y CA 0.142 58.168 58.100 -0.123 0.000 1.372 311 Y CB 1.154 39.551 38.460 -0.105 0.000 1.253 311 Y HN 0.439 nan 8.280 nan 0.000 0.536 312 V N 8.855 128.284 119.914 -0.808 0.000 2.326 312 V HA 0.295 4.415 4.120 0.000 0.000 0.281 312 V C -2.320 173.314 176.094 -0.767 0.000 1.015 312 V CA -2.197 59.783 62.300 -0.533 0.000 0.823 312 V CB 1.059 32.748 31.823 -0.222 0.000 1.009 312 V HN 0.722 nan 8.190 nan 0.000 0.436 313 P HA 0.174 nan 4.420 nan 0.000 0.264 313 P C 0.753 177.988 177.300 -0.108 0.000 1.193 313 P CA 0.902 63.901 63.100 -0.169 0.000 0.763 313 P CB 0.814 32.538 31.700 0.040 0.000 0.810 314 A N 3.642 126.431 122.820 -0.050 0.000 3.132 314 A HA -0.294 4.026 4.320 0.000 0.000 0.266 314 A C 1.283 178.833 177.584 -0.058 0.000 1.216 314 A CA 1.461 53.486 52.037 -0.020 0.000 0.985 314 A CB -2.448 16.561 19.000 0.015 0.000 1.102 314 A HN 0.589 nan 8.150 nan 0.000 0.833 315 D N -2.331 117.992 120.400 -0.128 0.000 2.876 315 D HA -0.188 4.452 4.640 0.000 0.000 0.196 315 D C -0.202 176.056 176.300 -0.071 0.000 1.014 315 D CA 1.851 55.788 54.000 -0.106 0.000 1.012 315 D CB -1.334 39.429 40.800 -0.062 0.000 1.080 315 D HN 0.923 nan 8.370 nan 0.000 0.438 316 D N 0.969 121.335 120.400 -0.057 0.000 2.383 316 D HA 0.144 4.784 4.640 0.000 0.000 0.245 316 D C 1.699 177.990 176.300 -0.014 0.000 1.263 316 D CA -0.117 53.869 54.000 -0.024 0.000 0.936 316 D CB -0.057 40.744 40.800 0.002 0.000 1.053 316 D HN 0.238 nan 8.370 nan 0.000 0.507 317 L N 2.594 123.805 121.223 -0.019 0.000 2.549 317 L HA -0.098 4.242 4.340 0.000 0.000 0.230 317 L C 1.812 178.682 176.870 -0.001 0.000 1.162 317 L CA 1.219 56.059 54.840 -0.000 0.000 0.834 317 L CB -0.346 41.689 42.059 -0.039 0.000 0.947 317 L HN 0.509 nan 8.230 nan 0.000 0.452 318 T N -5.689 108.861 114.554 -0.006 0.000 3.092 318 T HA 0.029 4.379 4.350 0.000 0.000 0.258 318 T C 0.597 175.322 174.700 0.042 0.000 1.031 318 T CA -0.556 61.542 62.100 -0.003 0.000 0.925 318 T CB -0.121 68.732 68.868 -0.024 0.000 1.036 318 T HN 0.118 nan 8.240 nan 0.000 0.544 319 D N 2.703 123.144 120.400 0.069 0.000 2.488 319 D HA 0.049 4.689 4.640 0.000 0.000 0.238 319 D C -1.443 174.922 176.300 0.109 0.000 1.138 319 D CA -1.454 52.621 54.000 0.126 0.000 0.873 319 D CB 1.609 42.502 40.800 0.157 0.000 1.183 319 D HN -0.030 nan 8.370 nan 0.000 0.458 320 P HA -0.212 nan 4.420 nan 0.000 0.218 320 P C 0.761 177.996 177.300 -0.108 0.000 1.150 320 P CA 2.028 65.104 63.100 -0.039 0.000 0.841 320 P CB 0.154 31.784 31.700 -0.117 0.000 0.784 321 A N 0.069 122.816 122.820 -0.121 0.000 1.826 321 A HA -0.070 4.250 4.320 0.000 0.000 0.214 321 A C -0.160 177.539 177.584 0.193 0.000 1.212 321 A CA 1.918 53.970 52.037 0.025 0.000 0.605 321 A CB -2.102 17.113 19.000 0.359 0.000 0.861 321 A HN 0.207 nan 8.150 nan 0.000 0.447 322 P HA 0.002 nan 4.420 nan 0.000 0.229 322 P C 1.318 178.848 177.300 0.384 0.000 1.160 322 P CA 1.530 64.839 63.100 0.347 0.000 0.777 322 P CB -0.019 31.883 31.700 0.337 0.000 0.814 323 A N 0.331 123.313 122.820 0.270 0.000 1.898 323 A HA -0.096 4.225 4.320 0.000 0.000 0.216 323 A C 2.239 179.978 177.584 0.259 0.000 1.181 323 A CA 2.074 54.263 52.037 0.254 0.000 0.620 323 A CB -1.771 17.291 19.000 0.104 0.000 0.819 323 A HN 0.178 nan 8.150 nan 0.000 0.442 324 T N -0.139 114.535 114.554 0.199 0.000 2.904 324 T HA -0.084 4.266 4.350 0.000 0.000 0.267 324 T C 1.903 176.791 174.700 0.314 0.000 1.059 324 T CA 1.721 63.943 62.100 0.202 0.000 1.137 324 T CB -0.484 68.471 68.868 0.146 0.000 0.879 324 T HN 0.535 nan 8.240 nan 0.000 0.467 325 T N 1.825 116.564 114.554 0.308 0.000 2.833 325 T HA -0.038 4.312 4.350 0.000 0.000 0.269 325 T C 1.516 176.415 174.700 0.332 0.000 1.054 325 T CA 0.879 63.158 62.100 0.299 0.000 1.135 325 T CB -0.541 68.461 68.868 0.224 0.000 0.869 325 T HN 0.278 nan 8.240 nan 0.000 0.466 326 F N 1.921 122.032 119.950 0.270 0.000 2.091 326 F HA -0.116 4.411 4.527 0.000 0.000 0.299 326 F C 2.670 178.529 175.800 0.098 0.000 1.103 326 F CA 1.130 59.218 58.000 0.146 0.000 1.228 326 F CB -0.765 38.195 39.000 -0.066 0.000 0.984 326 F HN 0.138 nan 8.300 nan 0.000 0.477 327 A N -1.531 121.427 122.820 0.230 0.000 2.186 327 A HA -0.207 4.113 4.320 0.000 0.000 0.219 327 A C 1.700 179.226 177.584 -0.097 0.000 1.159 327 A CA 1.644 53.694 52.037 0.021 0.000 0.680 327 A CB -0.949 17.999 19.000 -0.088 0.000 0.787 327 A HN 0.543 nan 8.150 nan 0.000 0.467 328 H N -1.678 117.440 119.070 0.080 0.000 2.575 328 H HA 0.334 4.890 4.556 0.000 0.000 0.267 328 H C -0.045 175.289 175.328 0.011 0.000 0.966 328 H CA 0.094 56.162 56.048 0.033 0.000 1.165 328 H CB 0.242 30.010 29.762 0.010 0.000 1.433 328 H HN 0.347 nan 8.280 nan 0.000 0.544 329 L N 0.318 121.614 121.223 0.121 0.000 2.334 329 L HA 0.177 4.517 4.340 0.000 0.000 0.270 329 L C 1.141 178.040 176.870 0.048 0.000 1.018 329 L CA -0.485 54.389 54.840 0.057 0.000 0.811 329 L CB 1.696 43.782 42.059 0.044 0.000 1.271 329 L HN -0.074 nan 8.230 nan 0.000 0.443 330 D N 0.693 121.101 120.400 0.013 0.000 2.277 330 D HA 0.158 4.798 4.640 0.000 0.000 0.209 330 D C 0.135 176.461 176.300 0.044 0.000 0.970 330 D CA 0.687 54.700 54.000 0.022 0.000 0.874 330 D CB 0.846 41.647 40.800 0.002 0.000 0.982 330 D HN 0.519 nan 8.370 nan 0.000 0.504 331 A N 0.604 123.442 122.820 0.032 0.000 2.455 331 A HA 0.524 4.844 4.320 0.000 0.000 0.300 331 A C -0.358 177.270 177.584 0.074 0.000 1.040 331 A CA -0.633 51.454 52.037 0.083 0.000 0.697 331 A CB 1.513 20.601 19.000 0.147 0.000 1.265 331 A HN -0.011 nan 8.150 nan 0.000 0.407 332 T N -0.673 113.971 114.554 0.150 0.000 2.859 332 T HA 0.720 5.070 4.350 0.000 0.000 0.281 332 T C -0.332 174.488 174.700 0.199 0.000 1.005 332 T CA -0.523 61.695 62.100 0.197 0.000 1.025 332 T CB 1.450 70.489 68.868 0.286 0.000 0.977 332 T HN 0.459 nan 8.240 nan 0.000 0.458 333 T N 2.834 117.492 114.554 0.174 0.000 2.934 333 T HA 0.431 4.781 4.350 0.000 0.000 0.328 333 T C -0.241 174.517 174.700 0.097 0.000 1.068 333 T CA -0.502 61.665 62.100 0.112 0.000 1.018 333 T CB 0.618 69.527 68.868 0.068 0.000 1.009 333 T HN 0.623 nan 8.240 nan 0.000 0.471 334 V N 5.489 125.480 119.914 0.129 0.000 2.432 334 V HA 0.385 4.505 4.120 0.000 0.000 0.275 334 V C 0.157 176.281 176.094 0.050 0.000 1.043 334 V CA -0.689 61.694 62.300 0.140 0.000 0.925 334 V CB 0.983 32.886 31.823 0.133 0.000 0.985 334 V HN 0.717 nan 8.190 nan 0.000 0.466 335 L N 4.443 125.689 121.223 0.039 0.000 2.264 335 L HA 0.439 4.779 4.340 0.000 0.000 0.289 335 L C 0.504 177.380 176.870 0.009 0.000 1.044 335 L CA 0.202 55.048 54.840 0.010 0.000 0.807 335 L CB 1.564 43.630 42.059 0.012 0.000 1.192 335 L HN 0.673 nan 8.230 nan 0.000 0.425 336 S N 2.861 118.555 115.700 -0.010 0.000 2.508 336 S HA 0.262 4.732 4.470 0.000 0.000 0.284 336 S C 1.033 175.610 174.600 -0.039 0.000 1.192 336 S CA -0.614 57.574 58.200 -0.021 0.000 1.070 336 S CB 1.297 64.482 63.200 -0.024 0.000 1.004 336 S HN 0.738 nan 8.310 nan 0.000 0.493 337 R N 3.434 123.915 120.500 -0.031 0.000 2.092 337 R HA -0.025 4.315 4.340 0.000 0.000 0.231 337 R C 2.075 178.348 176.300 -0.045 0.000 1.119 337 R CA 1.797 57.877 56.100 -0.033 0.000 0.970 337 R CB -1.022 29.267 30.300 -0.020 0.000 0.864 337 R HN 0.823 nan 8.270 nan 0.000 0.440 338 G N 1.565 110.342 108.800 -0.038 0.000 2.421 338 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 338 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 338 G C 1.389 176.260 174.900 -0.047 0.000 1.171 338 G CA 0.692 45.771 45.100 -0.035 0.000 0.775 338 G HN 0.190 nan 8.290 nan 0.000 0.543 339 I N 2.283 122.818 120.570 -0.060 0.000 2.226 339 I HA -0.166 4.004 4.170 0.000 0.000 0.245 339 I C 3.158 179.180 176.117 -0.159 0.000 1.100 339 I CA 1.864 63.118 61.300 -0.076 0.000 1.374 339 I CB -1.265 36.696 38.000 -0.064 0.000 1.057 339 I HN 0.378 nan 8.210 nan 0.000 0.413 340 S N 0.421 115.978 115.700 -0.239 0.000 2.402 340 S HA -0.146 4.324 4.470 0.000 0.000 0.229 340 S C 1.694 176.138 174.600 -0.260 0.000 1.021 340 S CA 0.848 58.764 58.200 -0.474 0.000 0.974 340 S CB -0.512 62.431 63.200 -0.428 0.000 0.800 340 S HN 0.501 nan 8.310 nan 0.000 0.484 341 E N 0.980 121.115 120.200 -0.107 0.000 2.347 341 E HA 0.053 4.403 4.350 0.000 0.000 0.196 341 E C 1.857 178.449 176.600 -0.014 0.000 1.008 341 E CA 0.704 57.087 56.400 -0.029 0.000 0.852 341 E CB -0.288 29.404 29.700 -0.013 0.000 0.783 341 E HN 0.582 nan 8.360 nan 0.000 0.505 342 L N -0.854 120.349 121.223 -0.034 0.000 2.109 342 L HA -0.014 4.326 4.340 0.000 0.000 0.207 342 L C 1.868 178.743 176.870 0.008 0.000 1.086 342 L CA 1.208 56.042 54.840 -0.010 0.000 0.760 342 L CB -0.029 42.027 42.059 -0.004 0.000 0.910 342 L HN 0.322 nan 8.230 nan 0.000 0.437 343 G N -1.199 107.610 108.800 0.014 0.000 2.425 343 G HA2 -0.129 3.831 3.960 0.000 0.000 0.177 343 G HA3 -0.129 3.831 3.960 0.000 0.000 0.177 343 G C 0.157 175.196 174.900 0.232 0.000 0.999 343 G CA -0.663 44.522 45.100 0.140 0.000 0.723 343 G HN 0.019 nan 8.290 nan 0.000 0.491 344 I N 2.229 122.839 120.570 0.067 0.000 2.421 344 I HA 0.402 4.572 4.170 0.000 0.000 0.291 344 I C -0.196 175.806 176.117 -0.191 0.000 1.089 344 I CA -0.558 60.788 61.300 0.077 0.000 1.354 344 I CB -0.931 37.102 38.000 0.054 0.000 1.413 344 I HN 0.061 nan 8.210 nan 0.000 0.513 345 Y N 7.848 128.158 120.300 0.018 0.000 2.429 345 Y HA 0.362 4.912 4.550 0.000 0.000 0.342 345 Y C -1.556 174.223 175.900 -0.200 0.000 1.004 345 Y CA -1.963 56.090 58.100 -0.077 0.000 1.075 345 Y CB 1.493 39.898 38.460 -0.092 0.000 1.214 345 Y HN 0.378 nan 8.280 nan 0.000 0.455 346 P HA 0.032 nan 4.420 nan 0.000 0.237 346 P C 0.227 177.615 177.300 0.147 0.000 1.178 346 P CA 1.392 64.510 63.100 0.031 0.000 0.766 346 P CB 0.315 32.035 31.700 0.034 0.000 0.876 347 A N -2.478 120.336 122.820 -0.009 0.000 3.095 347 A HA -0.118 4.202 4.320 0.000 0.000 0.248 347 A C 0.288 177.862 177.584 -0.016 0.000 1.369 347 A CA 0.165 52.142 52.037 -0.100 0.000 0.843 347 A CB -2.449 16.393 19.000 -0.262 0.000 1.064 347 A HN 0.102 nan 8.150 nan 0.000 0.636 348 V N 1.590 121.522 119.914 0.030 0.000 2.508 348 V HA 0.258 4.378 4.120 0.000 0.000 0.281 348 V C 0.895 176.993 176.094 0.007 0.000 1.041 348 V CA 0.315 62.628 62.300 0.023 0.000 1.016 348 V CB 1.310 33.167 31.823 0.056 0.000 0.984 348 V HN 0.596 nan 8.190 nan 0.000 0.478 349 D N 8.504 128.906 120.400 0.004 0.000 2.368 349 D HA 0.054 4.694 4.640 0.000 0.000 0.268 349 D C -1.010 175.292 176.300 0.003 0.000 1.298 349 D CA -1.667 52.334 54.000 0.002 0.000 0.938 349 D CB 1.502 42.304 40.800 0.003 0.000 1.101 349 D HN 0.274 nan 8.370 nan 0.000 0.509 350 P HA -0.128 nan 4.420 nan 0.000 0.217 350 P C 1.542 178.830 177.300 -0.020 0.000 1.150 350 P CA 0.925 64.016 63.100 -0.014 0.000 0.832 350 P CB 0.377 32.068 31.700 -0.014 0.000 0.787 351 L N -0.999 120.214 121.223 -0.016 0.000 2.298 351 L HA 0.072 4.412 4.340 0.000 0.000 0.209 351 L C 2.395 179.252 176.870 -0.021 0.000 1.084 351 L CA 0.969 55.795 54.840 -0.023 0.000 0.816 351 L CB -0.870 41.176 42.059 -0.022 0.000 0.967 351 L HN -0.083 nan 8.230 nan 0.000 0.460 352 D N 0.057 120.448 120.400 -0.015 0.000 2.194 352 D HA -0.054 4.586 4.640 0.000 0.000 0.204 352 D C 0.797 177.110 176.300 0.021 0.000 0.964 352 D CA 0.420 54.411 54.000 -0.015 0.000 0.846 352 D CB 0.249 41.035 40.800 -0.023 0.000 0.962 352 D HN 0.003 nan 8.370 nan 0.000 0.490 353 S N 0.722 116.444 115.700 0.037 0.000 2.498 353 S HA 0.184 4.654 4.470 0.000 0.000 0.281 353 S C 0.087 174.726 174.600 0.066 0.000 1.265 353 S CA 0.129 58.372 58.200 0.072 0.000 1.071 353 S CB 0.722 63.961 63.200 0.065 0.000 0.894 353 S HN 0.091 nan 8.310 nan 0.000 0.491 354 K N 1.442 121.900 120.400 0.097 0.000 2.443 354 K HA 0.700 5.020 4.320 0.000 0.000 0.251 354 K C -0.785 175.879 176.600 0.107 0.000 0.972 354 K CA -0.667 55.669 56.287 0.081 0.000 0.833 354 K CB 2.093 34.632 32.500 0.066 0.000 1.317 354 K HN 0.453 nan 8.250 nan 0.000 0.441 355 S N -0.113 115.639 115.700 0.086 0.000 2.533 355 S HA 0.213 4.683 4.470 0.000 0.000 0.271 355 S C -0.063 174.579 174.600 0.070 0.000 1.143 355 S CA -0.873 57.384 58.200 0.094 0.000 0.891 355 S CB 1.072 64.339 63.200 0.112 0.000 1.105 355 S HN 0.727 nan 8.310 nan 0.000 0.468 356 R N 3.394 123.932 120.500 0.064 0.000 2.316 356 R HA 0.217 4.557 4.340 0.000 0.000 0.202 356 R C 0.960 177.286 176.300 0.044 0.000 1.029 356 R CA 0.695 56.825 56.100 0.050 0.000 1.018 356 R CB -0.361 29.964 30.300 0.041 0.000 0.888 356 R HN 0.548 nan 8.270 nan 0.000 0.471 357 L N 0.523 121.774 121.223 0.047 0.000 2.477 357 L HA 0.158 4.498 4.340 0.000 0.000 0.220 357 L C 0.631 177.512 176.870 0.019 0.000 1.106 357 L CA -0.198 54.661 54.840 0.031 0.000 0.851 357 L CB -0.027 42.054 42.059 0.036 0.000 0.994 357 L HN 0.188 nan 8.230 nan 0.000 0.462 358 L N 2.001 123.244 121.223 0.034 0.000 2.505 358 L HA 0.129 4.469 4.340 0.000 0.000 0.279 358 L C -0.641 176.322 176.870 0.156 0.000 1.211 358 L CA 0.680 55.544 54.840 0.041 0.000 1.059 358 L CB -0.677 41.394 42.059 0.020 0.000 1.340 358 L HN 0.044 nan 8.230 nan 0.000 0.447 359 D N 2.059 122.530 120.400 0.118 0.000 2.837 359 D HA 0.466 5.106 4.640 0.000 0.000 0.220 359 D C 0.612 176.899 176.300 -0.020 0.000 1.236 359 D CA 0.105 54.139 54.000 0.058 0.000 0.838 359 D CB 1.872 42.670 40.800 -0.002 0.000 1.647 359 D HN 0.278 nan 8.370 nan 0.000 0.486 360 A N 2.710 125.419 122.820 -0.186 0.000 1.908 360 A HA 0.081 4.401 4.320 0.000 0.000 0.218 360 A C 1.842 179.385 177.584 -0.068 0.000 1.181 360 A CA 1.900 53.854 52.037 -0.139 0.000 0.627 360 A CB -0.788 18.052 19.000 -0.266 0.000 0.818 360 A HN 0.705 nan 8.150 nan 0.000 0.445 361 A N -1.159 121.615 122.820 -0.077 0.000 2.265 361 A HA 0.432 4.752 4.320 0.000 0.000 0.213 361 A C 1.276 178.844 177.584 -0.027 0.000 1.255 361 A CA 1.001 53.011 52.037 -0.045 0.000 0.862 361 A CB -0.249 18.723 19.000 -0.047 0.000 0.852 361 A HN 0.392 nan 8.150 nan 0.000 0.484 362 V N -1.666 118.233 119.914 -0.026 0.000 3.229 362 V HA -0.019 4.101 4.120 0.000 0.000 0.239 362 V C 1.649 177.731 176.094 -0.022 0.000 1.390 362 V CA 1.146 63.435 62.300 -0.019 0.000 1.231 362 V CB 0.961 32.773 31.823 -0.018 0.000 1.025 362 V HN 0.488 nan 8.190 nan 0.000 0.461 363 V N -1.497 118.392 119.914 -0.043 0.000 3.528 363 V HA 0.811 4.931 4.120 0.000 0.000 0.294 363 V C 0.702 176.824 176.094 0.046 0.000 1.404 363 V CA 0.183 62.445 62.300 -0.063 0.000 1.065 363 V CB -0.353 31.252 31.823 -0.364 0.000 0.904 363 V HN 0.875 nan 8.190 nan 0.000 0.435 364 G N 0.849 109.676 108.800 0.045 0.000 2.712 364 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 364 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 364 G C -0.120 174.839 174.900 0.098 0.000 1.321 364 G CA 0.349 45.493 45.100 0.074 0.000 0.813 364 G HN 0.556 nan 8.290 nan 0.000 0.599 365 Q N 0.023 119.871 119.800 0.080 0.000 1.965 365 Q HA -0.020 4.320 4.340 0.000 0.000 0.200 365 Q C 2.370 178.463 176.000 0.154 0.000 0.981 365 Q CA 2.616 58.471 55.803 0.087 0.000 0.834 365 Q CB -0.419 28.349 28.738 0.051 0.000 0.900 365 Q HN 0.775 nan 8.270 nan 0.000 0.426 366 E N -1.092 119.188 120.200 0.133 0.000 2.401 366 E HA -0.235 4.115 4.350 0.000 0.000 0.199 366 E C 1.615 178.316 176.600 0.168 0.000 1.023 366 E CA 0.558 57.038 56.400 0.132 0.000 0.859 366 E CB -0.045 29.710 29.700 0.091 0.000 0.780 366 E HN 0.451 nan 8.360 nan 0.000 0.523 367 H N -0.361 118.762 119.070 0.088 0.000 2.333 367 H HA -0.162 4.394 4.556 0.000 0.000 0.302 367 H C 1.721 177.098 175.328 0.083 0.000 1.075 367 H CA 1.717 57.809 56.048 0.074 0.000 1.348 367 H CB -0.586 29.216 29.762 0.068 0.000 1.393 367 H HN 0.273 nan 8.280 nan 0.000 0.509 368 Y N 1.676 122.081 120.300 0.175 0.000 2.114 368 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 368 Y C 2.134 178.080 175.900 0.076 0.000 1.165 368 Y CA 2.284 60.430 58.100 0.076 0.000 1.148 368 Y CB -0.315 38.158 38.460 0.021 0.000 0.972 368 Y HN 0.192 nan 8.280 nan 0.000 0.504 369 D N -0.638 119.900 120.400 0.230 0.000 2.123 369 D HA -0.193 4.447 4.640 0.000 0.000 0.196 369 D C 2.357 178.675 176.300 0.030 0.000 0.992 369 D CA 1.665 55.737 54.000 0.120 0.000 0.833 369 D CB -0.435 40.449 40.800 0.140 0.000 0.954 369 D HN 0.307 nan 8.370 nan 0.000 0.455 370 V N 0.787 120.731 119.914 0.049 0.000 2.307 370 V HA -0.191 3.929 4.120 0.000 0.000 0.245 370 V C 2.403 178.471 176.094 -0.044 0.000 1.045 370 V CA 1.710 64.020 62.300 0.016 0.000 1.024 370 V CB -0.685 31.148 31.823 0.016 0.000 0.651 370 V HN 0.202 nan 8.190 nan 0.000 0.449 371 A N -0.683 122.110 122.820 -0.045 0.000 1.902 371 A HA -0.215 4.105 4.320 0.000 0.000 0.217 371 A C 2.498 179.977 177.584 -0.175 0.000 1.181 371 A CA 2.336 54.304 52.037 -0.114 0.000 0.623 371 A CB -0.719 18.249 19.000 -0.055 0.000 0.818 371 A HN 0.492 nan 8.150 nan 0.000 0.443 372 S N -0.807 114.748 115.700 -0.242 0.000 2.356 372 S HA -0.124 4.346 4.470 0.000 0.000 0.223 372 S C 2.021 176.548 174.600 -0.121 0.000 1.032 372 S CA 1.563 59.614 58.200 -0.250 0.000 1.005 372 S CB -0.201 62.784 63.200 -0.359 0.000 0.867 372 S HN 0.607 nan 8.310 nan 0.000 0.449 373 K N 0.746 121.103 120.400 -0.073 0.000 2.296 373 K HA 0.060 4.380 4.320 0.000 0.000 0.200 373 K C 1.799 178.385 176.600 -0.024 0.000 1.048 373 K CA 0.394 56.664 56.287 -0.028 0.000 0.966 373 K CB -0.006 32.496 32.500 0.003 0.000 0.754 373 K HN 0.151 nan 8.250 nan 0.000 0.466 374 V N 1.224 121.110 119.914 -0.047 0.000 2.358 374 V HA -0.232 3.888 4.120 0.000 0.000 0.246 374 V C 2.111 178.169 176.094 -0.060 0.000 1.047 374 V CA 1.617 63.885 62.300 -0.054 0.000 1.035 374 V CB -0.276 31.460 31.823 -0.144 0.000 0.658 374 V HN 0.376 nan 8.190 nan 0.000 0.452 375 Q N -0.560 119.190 119.800 -0.083 0.000 2.167 375 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 375 Q C 2.214 178.192 176.000 -0.038 0.000 0.970 375 Q CA 1.504 57.266 55.803 -0.067 0.000 0.855 375 Q CB -0.071 28.613 28.738 -0.090 0.000 0.911 375 Q HN 0.694 nan 8.270 nan 0.000 0.438 376 E N -0.466 119.713 120.200 -0.034 0.000 2.152 376 E HA -0.105 4.245 4.350 0.000 0.000 0.192 376 E C 1.852 178.455 176.600 0.006 0.000 0.983 376 E CA 1.310 57.702 56.400 -0.013 0.000 0.818 376 E CB 0.190 29.883 29.700 -0.012 0.000 0.758 376 E HN 0.263 nan 8.360 nan 0.000 0.467 377 T N 1.270 115.827 114.554 0.006 0.000 2.737 377 T HA -0.081 4.269 4.350 0.000 0.000 0.265 377 T C 1.921 176.645 174.700 0.040 0.000 1.038 377 T CA 0.721 62.833 62.100 0.019 0.000 1.144 377 T CB -0.161 68.712 68.868 0.009 0.000 0.866 377 T HN 0.073 nan 8.240 nan 0.000 0.434 378 L N 0.975 122.218 121.223 0.032 0.000 2.131 378 L HA -0.109 4.231 4.340 0.000 0.000 0.210 378 L C 2.817 179.743 176.870 0.094 0.000 1.092 378 L CA 0.987 55.867 54.840 0.067 0.000 0.759 378 L CB -0.401 41.679 42.059 0.035 0.000 0.903 378 L HN 0.215 nan 8.230 nan 0.000 0.435 379 Q N -0.185 119.645 119.800 0.049 0.000 2.123 379 Q HA -0.134 4.206 4.340 0.000 0.000 0.199 379 Q C 2.041 178.068 176.000 0.044 0.000 0.966 379 Q CA 2.150 57.973 55.803 0.033 0.000 0.845 379 Q CB -0.370 28.372 28.738 0.007 0.000 0.907 379 Q HN 0.343 nan 8.270 nan 0.000 0.439 380 T N 0.115 114.704 114.554 0.058 0.000 2.665 380 T HA -0.204 4.146 4.350 0.000 0.000 0.268 380 T C 1.289 176.049 174.700 0.099 0.000 1.035 380 T CA 1.605 63.743 62.100 0.064 0.000 1.151 380 T CB -0.672 68.234 68.868 0.063 0.000 0.862 380 T HN 0.422 nan 8.240 nan 0.000 0.438 381 Y N 1.856 122.151 120.300 -0.009 0.000 2.274 381 Y HA -0.048 4.502 4.550 0.000 0.000 0.290 381 Y C 2.384 178.278 175.900 -0.010 0.000 1.145 381 Y CA 1.160 59.255 58.100 -0.008 0.000 1.203 381 Y CB -0.214 38.242 38.460 -0.007 0.000 0.984 381 Y HN 0.062 nan 8.280 nan 0.000 0.533 382 K N -0.830 119.535 120.400 -0.057 0.000 2.155 382 K HA -0.096 4.224 4.320 0.000 0.000 0.203 382 K C 2.130 178.651 176.600 -0.133 0.000 1.052 382 K CA 1.299 57.501 56.287 -0.141 0.000 0.948 382 K CB -0.051 32.420 32.500 -0.049 0.000 0.728 382 K HN 0.236 nan 8.250 nan 0.000 0.448 383 S N 1.046 116.699 115.700 -0.078 0.000 2.387 383 S HA -0.020 4.450 4.470 0.000 0.000 0.226 383 S C 1.691 176.244 174.600 -0.079 0.000 1.026 383 S CA 0.749 58.912 58.200 -0.063 0.000 0.972 383 S CB -0.049 63.132 63.200 -0.030 0.000 0.814 383 S HN 0.260 nan 8.310 nan 0.000 0.477 384 L N 1.184 122.352 121.223 -0.092 0.000 2.313 384 L HA 0.007 4.347 4.340 0.000 0.000 0.214 384 L C 2.377 179.165 176.870 -0.137 0.000 1.119 384 L CA 0.689 55.480 54.840 -0.081 0.000 0.809 384 L CB -0.431 41.617 42.059 -0.019 0.000 0.933 384 L HN 0.327 nan 8.230 nan 0.000 0.449 385 Q N -0.122 119.529 119.800 -0.248 0.000 2.439 385 Q HA -0.191 4.149 4.340 0.000 0.000 0.211 385 Q C 1.226 177.140 176.000 -0.143 0.000 0.978 385 Q CA 0.943 56.583 55.803 -0.271 0.000 0.897 385 Q CB 0.089 28.595 28.738 -0.386 0.000 0.956 385 Q HN 0.493 nan 8.270 nan 0.000 0.483 386 D N -0.183 120.154 120.400 -0.104 0.000 2.249 386 D HA -0.046 4.594 4.640 0.000 0.000 0.205 386 D C 1.442 177.713 176.300 -0.048 0.000 0.962 386 D CA 0.712 54.672 54.000 -0.067 0.000 0.860 386 D CB 0.218 40.985 40.800 -0.055 0.000 0.955 386 D HN 0.248 nan 8.370 nan 0.000 0.505 387 I N 1.157 121.699 120.570 -0.047 0.000 2.617 387 I HA -0.144 4.026 4.170 0.000 0.000 0.256 387 I C 2.196 178.300 176.117 -0.020 0.000 1.167 387 I CA 0.512 61.795 61.300 -0.027 0.000 1.469 387 I CB -0.036 37.953 38.000 -0.019 0.000 1.098 387 I HN -0.033 nan 8.210 nan 0.000 0.436 388 I N 0.673 121.225 120.570 -0.029 0.000 2.333 388 I HA -0.089 4.081 4.170 0.000 0.000 0.246 388 I C 2.609 178.719 176.117 -0.012 0.000 1.106 388 I CA 1.273 62.566 61.300 -0.011 0.000 1.411 388 I CB -1.653 36.345 38.000 -0.004 0.000 1.082 388 I HN 0.161 nan 8.210 nan 0.000 0.420 389 A N 0.373 123.177 122.820 -0.027 0.000 2.066 389 A HA -0.035 4.285 4.320 0.000 0.000 0.218 389 A C 2.182 179.757 177.584 -0.015 0.000 1.157 389 A CA 1.368 53.392 52.037 -0.022 0.000 0.670 389 A CB -0.340 18.641 19.000 -0.032 0.000 0.804 389 A HN 0.360 nan 8.150 nan 0.000 0.453 390 I N -2.256 118.305 120.570 -0.015 0.000 4.124 390 I HA 0.180 4.350 4.170 0.000 0.000 0.311 390 I C 1.712 177.824 176.117 -0.007 0.000 1.259 390 I CA 0.639 61.932 61.300 -0.011 0.000 1.315 390 I CB 0.382 38.373 38.000 -0.014 0.000 1.223 390 I HN 0.163 nan 8.210 nan 0.000 0.441 391 L N -0.642 120.577 121.223 -0.006 0.000 2.642 391 L HA 0.512 4.852 4.340 0.000 0.000 0.233 391 L C 0.815 177.686 176.870 0.002 0.000 1.077 391 L CA 0.261 55.100 54.840 -0.002 0.000 0.879 391 L CB 0.000 42.058 42.059 -0.002 0.000 1.151 391 L HN 0.268 nan 8.230 nan 0.000 0.495 392 G N 0.050 108.853 108.800 0.004 0.000 2.755 392 G HA2 -0.289 3.671 3.960 0.000 0.000 0.686 392 G HA3 -0.289 3.671 3.960 0.000 0.000 0.686 392 G C 0.201 175.110 174.900 0.016 0.000 1.427 392 G CA -0.201 44.906 45.100 0.011 0.000 0.873 392 G HN 0.041 nan 8.290 nan 0.000 0.580 393 M N 0.115 119.729 119.600 0.024 0.000 2.706 393 M HA -0.051 4.429 4.480 0.000 0.000 0.251 393 M C 1.849 178.162 176.300 0.021 0.000 1.070 393 M CA 1.710 57.027 55.300 0.029 0.000 1.073 393 M CB -0.244 32.379 32.600 0.038 0.000 1.449 393 M HN 0.689 nan 8.290 nan 0.000 0.531 394 D N 0.354 120.764 120.400 0.016 0.000 2.183 394 D HA -0.183 4.457 4.640 0.000 0.000 0.203 394 D C 1.813 178.119 176.300 0.011 0.000 0.969 394 D CA 1.081 55.088 54.000 0.012 0.000 0.842 394 D CB 0.299 41.104 40.800 0.009 0.000 0.957 394 D HN 0.197 nan 8.370 nan 0.000 0.484 395 E N -0.527 119.679 120.200 0.010 0.000 2.299 395 E HA 0.058 4.408 4.350 0.000 0.000 0.193 395 E C 0.327 176.933 176.600 0.010 0.000 0.998 395 E CA -0.030 56.375 56.400 0.008 0.000 0.851 395 E CB 0.068 29.771 29.700 0.005 0.000 0.795 395 E HN 0.184 nan 8.360 nan 0.000 0.492 396 L N 0.947 122.178 121.223 0.014 0.000 2.482 396 L HA 0.052 4.392 4.340 0.000 0.000 0.273 396 L C 0.950 177.830 176.870 0.016 0.000 1.228 396 L CA 0.402 55.252 54.840 0.017 0.000 0.827 396 L CB 0.470 42.544 42.059 0.026 0.000 1.099 396 L HN 0.123 nan 8.230 nan 0.000 0.494 397 S N 0.620 116.329 115.700 0.016 0.000 2.596 397 S HA 0.011 4.481 4.470 0.000 0.000 0.260 397 S C 1.207 175.817 174.600 0.015 0.000 1.336 397 S CA -0.375 57.834 58.200 0.014 0.000 0.993 397 S CB 0.698 63.906 63.200 0.014 0.000 0.923 397 S HN 0.556 nan 8.310 nan 0.000 0.567 398 E N 1.513 121.721 120.200 0.013 0.000 2.006 398 E HA -0.153 4.197 4.350 0.000 0.000 0.192 398 E C 1.881 178.489 176.600 0.014 0.000 0.993 398 E CA 1.235 57.643 56.400 0.013 0.000 0.808 398 E CB -0.636 29.070 29.700 0.010 0.000 0.764 398 E HN 0.807 nan 8.360 nan 0.000 0.449 399 Q N 0.356 120.164 119.800 0.014 0.000 2.488 399 Q HA -0.115 4.225 4.340 0.000 0.000 0.211 399 Q C 1.135 177.146 176.000 0.018 0.000 0.967 399 Q CA 0.469 56.282 55.803 0.015 0.000 0.926 399 Q CB 0.230 28.976 28.738 0.014 0.000 0.992 399 Q HN 0.143 nan 8.270 nan 0.000 0.506 400 D N 0.572 120.984 120.400 0.021 0.000 2.123 400 D HA -0.112 4.528 4.640 0.000 0.000 0.200 400 D C 1.470 177.789 176.300 0.032 0.000 0.976 400 D CA 1.008 55.025 54.000 0.028 0.000 0.831 400 D CB 0.185 41.003 40.800 0.029 0.000 0.974 400 D HN 0.183 nan 8.370 nan 0.000 0.469 401 K N 0.327 120.744 120.400 0.027 0.000 2.044 401 K HA -0.181 4.139 4.320 0.000 0.000 0.210 401 K C 2.073 178.683 176.600 0.017 0.000 1.049 401 K CA 0.713 57.016 56.287 0.026 0.000 0.927 401 K CB -0.259 32.253 32.500 0.020 0.000 0.713 401 K HN 0.042 nan 8.250 nan 0.000 0.443 402 L N 1.186 122.417 121.223 0.013 0.000 2.083 402 L HA -0.176 4.164 4.340 0.000 0.000 0.209 402 L C 1.905 178.775 176.870 -0.001 0.000 1.083 402 L CA 1.883 56.727 54.840 0.007 0.000 0.752 402 L CB -0.567 41.498 42.059 0.010 0.000 0.899 402 L HN 0.163 nan 8.230 nan 0.000 0.433 403 T N -1.691 112.867 114.554 0.008 0.000 2.857 403 T HA -0.099 4.251 4.350 0.000 0.000 0.266 403 T C 1.942 176.632 174.700 -0.015 0.000 1.048 403 T CA 1.341 63.444 62.100 0.005 0.000 1.139 403 T CB -0.355 68.529 68.868 0.026 0.000 0.874 403 T HN 0.201 nan 8.240 nan 0.000 0.455 404 V N 1.688 121.604 119.914 0.003 0.000 2.307 404 V HA -0.163 3.957 4.120 0.000 0.000 0.245 404 V C 2.534 178.546 176.094 -0.136 0.000 1.045 404 V CA 1.568 63.854 62.300 -0.023 0.000 1.024 404 V CB -0.652 31.218 31.823 0.078 0.000 0.651 404 V HN 0.500 nan 8.190 nan 0.000 0.449 405 E N 0.135 120.289 120.200 -0.076 0.000 2.058 405 E HA -0.233 4.117 4.350 0.000 0.000 0.194 405 E C 2.479 179.000 176.600 -0.132 0.000 0.997 405 E CA 1.361 57.711 56.400 -0.084 0.000 0.801 405 E CB -0.197 29.482 29.700 -0.035 0.000 0.746 405 E HN 0.529 nan 8.360 nan 0.000 0.450 406 R N 0.112 120.543 120.500 -0.116 0.000 2.148 406 R HA -0.049 4.291 4.340 0.000 0.000 0.227 406 R C 2.232 178.428 176.300 -0.172 0.000 1.103 406 R CA 0.798 56.814 56.100 -0.139 0.000 0.983 406 R CB -0.135 30.120 30.300 -0.074 0.000 0.874 406 R HN 0.101 nan 8.270 nan 0.000 0.451 407 A N 1.196 123.887 122.820 -0.214 0.000 1.872 407 A HA -0.114 4.206 4.320 0.000 0.000 0.214 407 A C 2.031 179.393 177.584 -0.371 0.000 1.187 407 A CA 0.948 52.809 52.037 -0.293 0.000 0.614 407 A CB -0.215 18.529 19.000 -0.427 0.000 0.826 407 A HN 0.156 nan 8.150 nan 0.000 0.442 408 R N -0.397 119.837 120.500 -0.445 0.000 2.235 408 R HA 0.018 4.358 4.340 0.000 0.000 0.213 408 R C 1.907 178.110 176.300 -0.161 0.000 1.059 408 R CA 1.112 57.029 56.100 -0.305 0.000 0.997 408 R CB -0.067 30.078 30.300 -0.259 0.000 0.884 408 R HN 0.484 nan 8.270 nan 0.000 0.462 409 K N 0.037 120.307 120.400 -0.216 0.000 2.137 409 K HA 0.026 4.346 4.320 0.000 0.000 0.202 409 K C 1.814 178.244 176.600 -0.284 0.000 1.052 409 K CA 0.845 56.933 56.287 -0.333 0.000 0.961 409 K CB 0.155 32.277 32.500 -0.631 0.000 0.741 409 K HN 0.108 nan 8.250 nan 0.000 0.452 410 I N 1.349 121.831 120.570 -0.146 0.000 2.286 410 I HA -0.256 3.914 4.170 0.000 0.000 0.245 410 I C 2.373 178.579 176.117 0.148 0.000 1.104 410 I CA 1.104 62.455 61.300 0.085 0.000 1.397 410 I CB -0.095 37.977 38.000 0.119 0.000 1.072 410 I HN 0.194 nan 8.210 nan 0.000 0.417 411 Q N 0.431 120.264 119.800 0.055 0.000 2.096 411 Q HA -0.293 4.047 4.340 0.000 0.000 0.208 411 Q C 2.340 178.427 176.000 0.145 0.000 0.993 411 Q CA 1.957 57.807 55.803 0.078 0.000 0.862 411 Q CB -0.171 28.592 28.738 0.042 0.000 0.915 411 Q HN 0.464 nan 8.270 nan 0.000 0.416 412 R N -0.902 119.704 120.500 0.177 0.000 2.119 412 R HA -0.058 4.282 4.340 0.000 0.000 0.222 412 R C 1.958 178.459 176.300 0.335 0.000 1.088 412 R CA 0.637 56.915 56.100 0.297 0.000 0.984 412 R CB -0.135 30.355 30.300 0.317 0.000 0.884 412 R HN 0.167 nan 8.270 nan 0.000 0.447 413 F N 1.140 121.160 119.950 0.117 0.000 2.502 413 F HA 0.026 4.553 4.527 0.000 0.000 0.298 413 F C 1.383 177.293 175.800 0.183 0.000 1.111 413 F CA 0.848 58.910 58.000 0.103 0.000 1.445 413 F CB -0.028 38.928 39.000 -0.073 0.000 1.081 413 F HN -0.065 nan 8.300 nan 0.000 0.558 414 L N -0.330 121.040 121.223 0.246 0.000 2.418 414 L HA -0.004 4.336 4.340 0.000 0.000 0.218 414 L C 1.278 178.176 176.870 0.047 0.000 1.125 414 L CA 0.378 55.288 54.840 0.117 0.000 0.835 414 L CB -0.715 41.394 42.059 0.083 0.000 0.953 414 L HN 0.066 nan 8.230 nan 0.000 0.454 415 S N 0.033 115.765 115.700 0.054 0.000 2.549 415 S HA 0.212 4.682 4.470 0.000 0.000 0.279 415 S C -0.336 174.209 174.600 -0.092 0.000 1.321 415 S CA -0.482 57.692 58.200 -0.044 0.000 1.054 415 S CB 1.411 64.551 63.200 -0.100 0.000 0.899 415 S HN 0.286 nan 8.310 nan 0.000 0.497 416 Q N 2.355 122.061 119.800 -0.157 0.000 2.323 416 Q HA 0.450 4.790 4.340 0.000 0.000 0.271 416 Q C -2.871 173.030 176.000 -0.164 0.000 1.048 416 Q CA -2.573 53.158 55.803 -0.121 0.000 0.792 416 Q CB 2.145 30.864 28.738 -0.032 0.000 1.280 416 Q HN 0.497 nan 8.270 nan 0.000 0.441 417 P HA 0.052 nan 4.420 nan 0.000 0.269 417 P C -0.905 176.487 177.300 0.152 0.000 1.263 417 P CA 0.119 63.214 63.100 -0.008 0.000 0.813 417 P CB 0.030 31.727 31.700 -0.006 0.000 0.868 418 F N 2.226 122.163 119.950 -0.022 0.000 2.406 418 F HA 0.248 4.775 4.527 0.000 0.000 0.327 418 F C 1.914 177.694 175.800 -0.034 0.000 1.153 418 F CA -1.136 56.841 58.000 -0.039 0.000 1.218 418 F CB -0.014 38.964 39.000 -0.037 0.000 1.215 418 F HN 0.347 nan 8.300 nan 0.000 0.570 419 A N 1.916 124.794 122.820 0.096 0.000 1.929 419 A HA -0.022 4.298 4.320 0.000 0.000 0.216 419 A C 1.757 179.347 177.584 0.011 0.000 1.176 419 A CA 1.438 53.482 52.037 0.013 0.000 0.628 419 A CB -0.758 18.209 19.000 -0.054 0.000 0.816 419 A HN 0.486 nan 8.150 nan 0.000 0.444 420 V N -0.799 119.126 119.914 0.019 0.000 3.623 420 V HA 0.142 4.262 4.120 0.000 0.000 0.271 420 V C 2.099 178.257 176.094 0.106 0.000 1.248 420 V CA 1.015 63.332 62.300 0.028 0.000 1.156 420 V CB -0.508 31.320 31.823 0.010 0.000 0.870 420 V HN 0.538 nan 8.190 nan 0.000 0.453 421 A N -0.337 122.592 122.820 0.181 0.000 2.308 421 A HA 0.125 4.446 4.320 0.000 0.000 0.217 421 A C 1.973 179.610 177.584 0.090 0.000 1.216 421 A CA 0.363 52.529 52.037 0.216 0.000 0.864 421 A CB -0.173 18.966 19.000 0.232 0.000 0.902 421 A HN 0.502 nan 8.150 nan 0.000 0.499 422 E N 0.361 120.573 120.200 0.020 0.000 2.130 422 E HA -0.199 4.151 4.350 0.000 0.000 0.196 422 E C 1.871 178.430 176.600 -0.067 0.000 0.998 422 E CA 2.018 58.407 56.400 -0.017 0.000 0.806 422 E CB -0.161 29.521 29.700 -0.030 0.000 0.738 422 E HN 0.553 nan 8.360 nan 0.000 0.459 423 V N -1.609 118.197 119.914 -0.179 0.000 2.548 423 V HA -0.146 3.974 4.120 0.000 0.000 0.249 423 V C 1.880 177.818 176.094 -0.260 0.000 1.055 423 V CA 1.284 63.415 62.300 -0.282 0.000 1.065 423 V CB -0.767 30.784 31.823 -0.453 0.000 0.681 423 V HN 0.123 nan 8.190 nan 0.000 0.462 424 F N 2.237 122.169 119.950 -0.031 0.000 2.335 424 F HA 0.073 4.600 4.527 0.000 0.000 0.296 424 F C 2.698 178.470 175.800 -0.047 0.000 1.091 424 F CA 1.443 59.410 58.000 -0.055 0.000 1.399 424 F CB -0.932 38.001 39.000 -0.113 0.000 1.067 424 F HN 0.365 nan 8.300 nan 0.000 0.520 425 T N -4.143 110.487 114.554 0.127 0.000 3.046 425 T HA 0.370 4.720 4.350 0.000 0.000 0.242 425 T C 1.792 176.526 174.700 0.057 0.000 1.018 425 T CA 0.640 62.788 62.100 0.080 0.000 1.131 425 T CB -0.182 68.716 68.868 0.050 0.000 0.904 425 T HN 0.355 nan 8.240 nan 0.000 0.459 426 G N 1.638 110.457 108.800 0.032 0.000 2.160 426 G HA2 -0.153 3.807 3.960 0.000 0.000 0.244 426 G HA3 -0.153 3.807 3.960 0.000 0.000 0.244 426 G C -0.153 174.758 174.900 0.019 0.000 1.022 426 G CA 0.197 45.308 45.100 0.018 0.000 0.741 426 G HN 0.713 nan 8.290 nan 0.000 0.508 427 I N 0.169 120.749 120.570 0.017 0.000 2.466 427 I HA 0.355 4.525 4.170 0.000 0.000 0.289 427 I C -2.258 173.864 176.117 0.009 0.000 1.026 427 I CA -2.690 58.617 61.300 0.011 0.000 1.078 427 I CB 2.350 40.352 38.000 0.004 0.000 1.249 427 I HN -0.194 nan 8.210 nan 0.000 0.429 428 P HA 0.006 nan 4.420 nan 0.000 0.261 428 P C 0.226 177.534 177.300 0.015 0.000 1.183 428 P CA -0.002 63.101 63.100 0.005 0.000 0.761 428 P CB 0.310 32.011 31.700 0.001 0.000 0.785 429 G N 3.947 112.760 108.800 0.022 0.000 2.313 429 G HA2 0.095 4.055 3.960 0.000 0.000 0.250 429 G HA3 0.095 4.055 3.960 0.000 0.000 0.250 429 G C -0.115 174.806 174.900 0.035 0.000 1.281 429 G CA -0.319 44.809 45.100 0.045 0.000 0.917 429 G HN 0.265 nan 8.290 nan 0.000 0.501 430 K N 1.495 121.927 120.400 0.053 0.000 2.123 430 K HA 0.491 4.811 4.320 0.000 0.000 0.259 430 K C -0.765 175.864 176.600 0.048 0.000 0.960 430 K CA -0.781 55.529 56.287 0.040 0.000 0.872 430 K CB 2.592 35.112 32.500 0.034 0.000 1.079 430 K HN 0.395 nan 8.250 nan 0.000 0.440 431 L N 2.012 123.249 121.223 0.024 0.000 2.381 431 L HA 0.387 4.727 4.340 0.000 0.000 0.274 431 L C -1.292 175.588 176.870 0.017 0.000 0.988 431 L CA -0.808 54.041 54.840 0.015 0.000 0.824 431 L CB 1.787 43.841 42.059 -0.008 0.000 1.263 431 L HN 0.221 nan 8.230 nan 0.000 0.410 432 V N 4.223 124.148 119.914 0.019 0.000 2.459 432 V HA 0.576 4.696 4.120 0.000 0.000 0.295 432 V C -0.202 175.901 176.094 0.015 0.000 1.029 432 V CA -0.989 61.322 62.300 0.018 0.000 0.874 432 V CB 1.446 33.278 31.823 0.014 0.000 0.985 432 V HN 0.630 nan 8.190 nan 0.000 0.438 433 R N 2.970 123.480 120.500 0.017 0.000 2.491 433 R HA 0.241 4.581 4.340 0.000 0.000 0.283 433 R C 1.111 177.424 176.300 0.021 0.000 1.072 433 R CA -0.415 55.696 56.100 0.019 0.000 1.048 433 R CB 0.241 30.554 30.300 0.021 0.000 0.983 433 R HN 0.814 nan 8.270 nan 0.000 0.450 434 L N 3.254 124.493 121.223 0.026 0.000 1.990 434 L HA -0.285 4.055 4.340 0.000 0.000 0.213 434 L C 1.884 178.763 176.870 0.015 0.000 1.072 434 L CA 1.951 56.809 54.840 0.031 0.000 0.755 434 L CB -0.110 41.987 42.059 0.064 0.000 0.889 434 L HN 0.580 nan 8.230 nan 0.000 0.432 435 K N -0.466 119.949 120.400 0.025 0.000 2.103 435 K HA -0.189 4.131 4.320 0.000 0.000 0.207 435 K C 1.710 178.319 176.600 0.016 0.000 1.048 435 K CA 1.676 57.974 56.287 0.018 0.000 0.930 435 K CB -0.312 32.206 32.500 0.031 0.000 0.716 435 K HN 0.508 nan 8.250 nan 0.000 0.444 436 D N 0.022 120.437 120.400 0.025 0.000 2.149 436 D HA -0.078 4.562 4.640 0.000 0.000 0.201 436 D C 1.864 178.193 176.300 0.048 0.000 0.972 436 D CA 1.221 55.242 54.000 0.036 0.000 0.835 436 D CB -0.259 40.563 40.800 0.036 0.000 0.966 436 D HN 0.169 nan 8.370 nan 0.000 0.476 437 T N 1.098 115.675 114.554 0.039 0.000 2.708 437 T HA -0.103 4.247 4.350 0.000 0.000 0.266 437 T C 2.362 177.147 174.700 0.141 0.000 1.037 437 T CA 0.892 63.038 62.100 0.077 0.000 1.146 437 T CB -0.490 68.403 68.868 0.042 0.000 0.865 437 T HN -0.028 nan 8.240 nan 0.000 0.435 438 V N 1.975 121.886 119.914 -0.005 0.000 2.287 438 V HA -0.196 3.924 4.120 0.000 0.000 0.248 438 V C 2.978 179.096 176.094 0.039 0.000 1.053 438 V CA 1.763 64.010 62.300 -0.088 0.000 1.027 438 V CB -1.345 30.297 31.823 -0.301 0.000 0.646 438 V HN 0.565 nan 8.190 nan 0.000 0.447 439 A N -0.405 122.442 122.820 0.045 0.000 1.933 439 A HA -0.209 4.111 4.320 0.000 0.000 0.218 439 A C 2.479 180.128 177.584 0.109 0.000 1.175 439 A CA 2.231 54.312 52.037 0.072 0.000 0.628 439 A CB -0.689 18.347 19.000 0.060 0.000 0.814 439 A HN 0.517 nan 8.150 nan 0.000 0.444 440 S N -0.661 115.109 115.700 0.117 0.000 2.353 440 S HA -0.133 4.337 4.470 0.000 0.000 0.222 440 S C 1.599 176.252 174.600 0.089 0.000 1.035 440 S CA 1.689 59.950 58.200 0.102 0.000 1.025 440 S CB -0.572 62.708 63.200 0.132 0.000 0.902 440 S HN 0.568 nan 8.310 nan 0.000 0.440 441 F N 1.775 121.805 119.950 0.133 0.000 2.325 441 F HA 0.055 4.582 4.527 0.000 0.000 0.299 441 F C 2.322 178.165 175.800 0.072 0.000 1.090 441 F CA 0.779 58.843 58.000 0.106 0.000 1.392 441 F CB -0.220 38.790 39.000 0.016 0.000 1.053 441 F HN 0.088 nan 8.300 nan 0.000 0.521 442 K N 0.708 121.240 120.400 0.221 0.000 2.063 442 K HA -0.180 4.140 4.320 0.000 0.000 0.208 442 K C 2.203 178.891 176.600 0.146 0.000 1.048 442 K CA 1.363 57.739 56.287 0.147 0.000 0.928 442 K CB -0.300 32.263 32.500 0.105 0.000 0.713 442 K HN 0.248 nan 8.250 nan 0.000 0.442 443 A N 0.495 123.419 122.820 0.172 0.000 2.014 443 A HA -0.039 4.281 4.320 0.000 0.000 0.218 443 A C 2.138 179.896 177.584 0.290 0.000 1.163 443 A CA 0.983 53.160 52.037 0.233 0.000 0.652 443 A CB -0.218 18.990 19.000 0.347 0.000 0.808 443 A HN 0.162 nan 8.150 nan 0.000 0.449 444 V N 0.039 120.076 119.914 0.206 0.000 2.358 444 V HA -0.217 3.903 4.120 0.000 0.000 0.246 444 V C 2.503 178.666 176.094 0.115 0.000 1.047 444 V CA 1.831 64.219 62.300 0.146 0.000 1.035 444 V CB -0.731 31.078 31.823 -0.024 0.000 0.658 444 V HN 0.569 nan 8.190 nan 0.000 0.452 445 L N -0.385 120.909 121.223 0.118 0.000 2.056 445 L HA -0.158 4.182 4.340 0.000 0.000 0.207 445 L C 2.533 179.447 176.870 0.073 0.000 1.078 445 L CA 1.559 56.451 54.840 0.087 0.000 0.749 445 L CB -0.632 41.481 42.059 0.091 0.000 0.901 445 L HN 0.347 nan 8.230 nan 0.000 0.433 446 E N 0.140 120.391 120.200 0.085 0.000 2.038 446 E HA -0.120 4.230 4.350 0.000 0.000 0.195 446 E C 1.048 177.679 176.600 0.052 0.000 1.000 446 E CA 1.068 57.507 56.400 0.064 0.000 0.803 446 E CB -0.113 29.626 29.700 0.066 0.000 0.750 446 E HN 0.522 nan 8.360 nan 0.000 0.448 447 G N 0.389 109.228 108.800 0.065 0.000 2.414 447 G HA2 -0.111 3.849 3.960 0.000 0.000 0.191 447 G HA3 -0.111 3.849 3.960 0.000 0.000 0.191 447 G C 0.053 174.959 174.900 0.010 0.000 1.082 447 G CA -0.265 44.862 45.100 0.045 0.000 0.785 447 G HN 0.038 nan 8.290 nan 0.000 0.484 448 K N -0.320 120.080 120.400 0.001 0.000 2.438 448 K HA 0.390 4.710 4.320 0.000 0.000 0.205 448 K C 0.007 176.326 176.600 -0.467 0.000 1.033 448 K CA -0.093 56.071 56.287 -0.204 0.000 1.089 448 K CB 0.547 32.898 32.500 -0.249 0.000 0.857 448 K HN 0.424 nan 8.250 nan 0.000 0.522 449 Y N -0.708 119.618 120.300 0.042 0.000 2.750 449 Y HA 0.137 4.687 4.550 0.000 0.000 0.247 449 Y C 0.357 176.316 175.900 0.099 0.000 1.098 449 Y CA -0.628 57.520 58.100 0.081 0.000 1.120 449 Y CB 0.599 39.159 38.460 0.166 0.000 1.210 449 Y HN -0.031 nan 8.280 nan 0.000 0.601 450 D N 0.497 120.977 120.400 0.134 0.000 2.224 450 D HA -0.137 4.503 4.640 0.000 0.000 0.205 450 D C 1.835 178.186 176.300 0.085 0.000 0.965 450 D CA 1.328 55.383 54.000 0.092 0.000 0.852 450 D CB 0.041 40.867 40.800 0.044 0.000 0.947 450 D HN 0.478 nan 8.370 nan 0.000 0.494 451 N N 0.846 119.590 118.700 0.073 0.000 2.376 451 N HA -0.098 4.642 4.740 0.000 0.000 0.177 451 N C 0.735 176.288 175.510 0.072 0.000 1.024 451 N CA 0.097 53.179 53.050 0.054 0.000 0.893 451 N CB -0.223 38.278 38.487 0.024 0.000 0.980 451 N HN 0.162 nan 8.380 nan 0.000 0.439 452 I N 2.492 123.129 120.570 0.111 0.000 2.533 452 I HA 0.123 4.293 4.170 0.000 0.000 0.284 452 I C -1.937 174.271 176.117 0.152 0.000 1.109 452 I CA -1.661 59.696 61.300 0.095 0.000 1.412 452 I CB 0.347 38.373 38.000 0.044 0.000 1.396 452 I HN -0.096 nan 8.210 nan 0.000 0.543 453 P HA 0.004 nan 4.420 nan 0.000 0.270 453 P C 0.264 177.682 177.300 0.197 0.000 1.227 453 P CA -0.074 63.096 63.100 0.117 0.000 0.788 453 P CB 0.526 32.272 31.700 0.077 0.000 0.926 454 E N -0.218 120.093 120.200 0.186 0.000 2.150 454 E HA -0.228 4.122 4.350 0.000 0.000 0.193 454 E C 1.456 178.215 176.600 0.266 0.000 0.985 454 E CA 0.993 57.528 56.400 0.225 0.000 0.814 454 E CB -0.376 29.389 29.700 0.108 0.000 0.752 454 E HN 0.560 nan 8.360 nan 0.000 0.466 455 H N 0.188 119.323 119.070 0.108 0.000 2.546 455 H HA 0.113 4.669 4.556 0.000 0.000 0.277 455 H C 1.767 177.158 175.328 0.105 0.000 1.004 455 H CA 0.917 57.025 56.048 0.100 0.000 1.231 455 H CB 0.149 29.935 29.762 0.039 0.000 1.382 455 H HN 0.165 nan 8.280 nan 0.000 0.580 456 A N -0.485 122.355 122.820 0.033 0.000 1.968 456 A HA -0.060 4.260 4.320 0.000 0.000 0.217 456 A C 1.659 179.044 177.584 -0.332 0.000 1.169 456 A CA 0.953 52.875 52.037 -0.191 0.000 0.638 456 A CB -0.697 18.105 19.000 -0.330 0.000 0.812 456 A HN 0.437 nan 8.150 nan 0.000 0.446 457 F N -2.202 117.662 119.950 -0.144 0.000 2.512 457 F HA 0.120 4.647 4.527 0.000 0.000 0.296 457 F C 0.920 176.709 175.800 -0.019 0.000 1.110 457 F CA 0.064 57.935 58.000 -0.215 0.000 1.446 457 F CB -0.271 38.581 39.000 -0.246 0.000 1.092 457 F HN 0.295 nan 8.300 nan 0.000 0.554 458 Y N 1.311 121.614 120.300 0.005 0.000 2.442 458 Y HA 0.243 4.793 4.550 0.000 0.000 0.330 458 Y C 0.795 176.660 175.900 -0.058 0.000 1.129 458 Y CA -1.487 56.591 58.100 -0.036 0.000 1.365 458 Y CB 0.352 38.715 38.460 -0.162 0.000 1.233 458 Y HN 0.158 nan 8.280 nan 0.000 0.529 459 M N 5.181 124.396 119.600 -0.642 0.000 2.350 459 M HA -0.168 4.312 4.480 0.000 0.000 0.190 459 M C -1.726 174.439 176.300 -0.225 0.000 0.710 459 M CA 1.265 56.227 55.300 -0.562 0.000 0.495 459 M CB -1.319 30.757 32.600 -0.875 0.000 1.136 459 M HN 0.451 nan 8.290 nan 0.000 0.901 460 V N -2.628 117.236 119.914 -0.084 0.000 3.105 460 V HA 1.084 5.204 4.120 0.000 0.000 0.311 460 V C 0.870 176.995 176.094 0.053 0.000 1.287 460 V CA -0.420 61.870 62.300 -0.017 0.000 1.066 460 V CB 1.072 32.879 31.823 -0.028 0.000 1.105 460 V HN 0.420 nan 8.190 nan 0.000 0.462 461 G N -0.359 108.475 108.800 0.057 0.000 3.311 461 G HA2 0.542 4.502 3.960 0.000 0.000 0.169 461 G HA3 0.542 4.502 3.960 0.000 0.000 0.169 461 G C 0.580 175.568 174.900 0.145 0.000 1.852 461 G CA 0.016 45.159 45.100 0.071 0.000 1.010 461 G HN 1.352 nan 8.290 nan 0.000 0.530 462 G N -0.921 107.944 108.800 0.108 0.000 2.525 462 G HA2 0.289 4.249 3.960 0.000 0.000 0.276 462 G HA3 0.289 4.249 3.960 0.000 0.000 0.276 462 G C 0.947 175.961 174.900 0.190 0.000 1.388 462 G CA 0.085 45.274 45.100 0.147 0.000 1.050 462 G HN 0.397 nan 8.290 nan 0.000 0.520 463 I N -0.541 120.107 120.570 0.130 0.000 2.493 463 I HA -0.058 4.112 4.170 0.000 0.000 0.254 463 I C 2.489 178.522 176.117 -0.140 0.000 1.160 463 I CA 1.469 62.723 61.300 -0.078 0.000 1.445 463 I CB -0.213 37.729 38.000 -0.096 0.000 1.086 463 I HN 0.664 nan 8.210 nan 0.000 0.433 464 E N -0.173 119.998 120.200 -0.048 0.000 2.208 464 E HA -0.165 4.185 4.350 0.000 0.000 0.193 464 E C 1.415 177.973 176.600 -0.069 0.000 0.988 464 E CA 0.988 57.360 56.400 -0.046 0.000 0.828 464 E CB -0.090 29.604 29.700 -0.011 0.000 0.763 464 E HN 0.495 nan 8.360 nan 0.000 0.478 465 D N 0.172 120.536 120.400 -0.060 0.000 2.312 465 D HA -0.070 4.570 4.640 0.000 0.000 0.211 465 D C 1.875 178.092 176.300 -0.138 0.000 0.964 465 D CA 0.466 54.426 54.000 -0.066 0.000 0.877 465 D CB 0.336 41.125 40.800 -0.020 0.000 0.924 465 D HN 0.038 nan 8.370 nan 0.000 0.515 466 V N 0.587 120.354 119.914 -0.245 0.000 2.283 466 V HA -0.166 3.954 4.120 0.000 0.000 0.243 466 V C 2.631 178.497 176.094 -0.380 0.000 1.039 466 V CA 0.933 62.963 62.300 -0.450 0.000 1.016 466 V CB -0.391 30.919 31.823 -0.854 0.000 0.650 466 V HN 0.037 nan 8.190 nan 0.000 0.449 467 V N 0.636 120.380 119.914 -0.283 0.000 2.515 467 V HA -0.164 3.956 4.120 0.000 0.000 0.250 467 V C 2.638 178.663 176.094 -0.114 0.000 1.058 467 V CA 1.672 63.871 62.300 -0.168 0.000 1.064 467 V CB -1.241 30.541 31.823 -0.068 0.000 0.675 467 V HN 0.524 nan 8.190 nan 0.000 0.461 468 A N -0.279 122.480 122.820 -0.102 0.000 2.067 468 A HA -0.178 4.142 4.320 0.000 0.000 0.219 468 A C 2.332 179.877 177.584 -0.065 0.000 1.158 468 A CA 1.817 53.814 52.037 -0.067 0.000 0.661 468 A CB -0.325 18.644 19.000 -0.052 0.000 0.801 468 A HN 0.518 nan 8.150 nan 0.000 0.452 469 K N -0.825 119.519 120.400 -0.093 0.000 2.323 469 K HA 0.237 4.557 4.320 0.000 0.000 0.197 469 K C 2.005 178.566 176.600 -0.064 0.000 1.043 469 K CA 0.738 56.982 56.287 -0.071 0.000 0.997 469 K CB -0.123 32.325 32.500 -0.087 0.000 0.807 469 K HN 0.347 nan 8.250 nan 0.000 0.497 470 A N 1.509 124.266 122.820 -0.106 0.000 1.832 470 A HA -0.116 4.204 4.320 0.000 0.000 0.214 470 A C 1.665 179.221 177.584 -0.047 0.000 1.204 470 A CA 1.339 53.322 52.037 -0.089 0.000 0.606 470 A CB -0.462 18.456 19.000 -0.138 0.000 0.849 470 A HN 0.361 nan 8.150 nan 0.000 0.445 471 E N -0.530 119.642 120.200 -0.047 0.000 2.409 471 E HA -0.124 4.226 4.350 0.000 0.000 0.198 471 E C 1.835 178.423 176.600 -0.020 0.000 1.024 471 E CA 0.908 57.291 56.400 -0.029 0.000 0.861 471 E CB -0.015 29.668 29.700 -0.028 0.000 0.788 471 E HN 0.632 nan 8.360 nan 0.000 0.521 472 K N 0.699 121.087 120.400 -0.020 0.000 2.076 472 K HA -0.046 4.274 4.320 0.000 0.000 0.204 472 K C 1.715 178.315 176.600 0.000 0.000 1.051 472 K CA 0.662 56.943 56.287 -0.009 0.000 0.949 472 K CB 0.151 32.646 32.500 -0.008 0.000 0.726 472 K HN 0.082 nan 8.250 nan 0.000 0.443 473 L N 0.485 121.711 121.223 0.004 0.000 2.478 473 L HA 0.038 4.378 4.340 0.000 0.000 0.223 473 L C 2.227 179.100 176.870 0.004 0.000 1.140 473 L CA 0.386 55.234 54.840 0.013 0.000 0.842 473 L CB -0.204 41.875 42.059 0.034 0.000 0.953 473 L HN 0.254 nan 8.230 nan 0.000 0.452 474 A N 0.471 123.289 122.820 -0.003 0.000 1.834 474 A HA 0.106 4.426 4.320 0.000 0.000 0.216 474 A C 1.362 178.943 177.584 -0.004 0.000 1.203 474 A CA 1.652 53.686 52.037 -0.005 0.000 0.621 474 A CB -0.460 18.534 19.000 -0.009 0.000 0.841 474 A HN 0.348 nan 8.150 nan 0.000 0.446 475 A N 0.000 122.817 122.820 -0.004 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486