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 3ofn_1_V DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEXXXX XXXXXDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTXXX XXXSELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTY 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.709 174.700 0.016 0.000 1.109 7 T CA 0.000 62.107 62.100 0.011 0.000 1.349 7 T CB 0.000 68.873 68.868 0.009 0.000 0.612 8 P HA 0.558 nan 4.420 nan 0.000 0.288 8 P C -0.211 177.112 177.300 0.038 0.000 1.363 8 P CA -0.474 62.641 63.100 0.025 0.000 0.837 8 P CB 0.223 31.935 31.700 0.021 0.000 0.981 9 I N 1.669 122.268 120.570 0.047 0.000 2.471 9 I HA 0.320 4.490 4.170 0.000 0.000 0.286 9 I C 0.907 177.102 176.117 0.129 0.000 1.079 9 I CA 0.258 61.604 61.300 0.077 0.000 1.398 9 I CB 0.668 38.700 38.000 0.053 0.000 1.403 9 I HN 0.309 nan 8.210 nan 0.000 0.530 10 T N 3.964 118.619 114.554 0.169 0.000 2.916 10 T HA 0.813 5.163 4.350 0.000 0.000 0.305 10 T C -0.556 174.145 174.700 0.002 0.000 1.119 10 T CA -0.499 61.661 62.100 0.101 0.000 1.008 10 T CB 1.619 70.504 68.868 0.029 0.000 1.129 10 T HN 0.904 nan 8.240 nan 0.000 0.480 11 G N 1.062 109.687 108.800 -0.292 0.000 2.692 11 G HA2 0.730 4.690 3.960 0.000 0.000 0.291 11 G HA3 0.730 4.690 3.960 0.000 0.000 0.291 11 G C -1.448 173.175 174.900 -0.460 0.000 1.423 11 G CA -0.446 44.178 45.100 -0.793 0.000 0.843 11 G HN 0.898 nan 8.290 nan 0.000 0.486 12 K N 0.108 120.274 120.400 -0.389 0.000 2.376 12 K HA 0.754 5.074 4.320 0.000 0.000 0.257 12 K C -0.201 176.314 176.600 -0.143 0.000 0.939 12 K CA -0.678 55.497 56.287 -0.187 0.000 0.809 12 K CB 1.666 34.111 32.500 -0.091 0.000 1.121 12 K HN 1.002 nan 8.250 nan 0.000 0.425 13 V N 2.872 122.723 119.914 -0.104 0.000 2.540 13 V HA 0.125 4.245 4.120 0.000 0.000 0.297 13 V C 1.528 177.595 176.094 -0.045 0.000 1.024 13 V CA 1.029 63.291 62.300 -0.063 0.000 1.105 13 V CB 0.898 32.694 31.823 -0.046 0.000 0.938 13 V HN 1.058 nan 8.190 nan 0.000 0.482 14 T N 0.580 115.116 114.554 -0.029 0.000 3.040 14 T HA 0.654 5.004 4.350 0.000 0.000 0.266 14 T C 0.137 174.822 174.700 -0.025 0.000 1.005 14 T CA 0.376 62.455 62.100 -0.035 0.000 0.906 14 T CB 0.472 69.310 68.868 -0.050 0.000 1.082 14 T HN 1.216 nan 8.240 nan 0.000 0.531 15 A N 0.494 123.305 122.820 -0.015 0.000 2.547 15 A HA 0.598 4.918 4.320 0.000 0.000 0.300 15 A C -1.467 176.114 177.584 -0.006 0.000 1.061 15 A CA -0.698 51.333 52.037 -0.010 0.000 0.808 15 A CB 1.090 20.087 19.000 -0.005 0.000 1.304 15 A HN 0.307 nan 8.150 nan 0.000 0.393 16 V N 3.074 122.984 119.914 -0.007 0.000 2.407 16 V HA 0.637 4.757 4.120 0.000 0.000 0.291 16 V C -0.652 175.440 176.094 -0.004 0.000 1.018 16 V CA -0.155 62.142 62.300 -0.005 0.000 0.842 16 V CB 1.018 32.837 31.823 -0.006 0.000 0.996 16 V HN 0.678 nan 8.190 nan 0.000 0.426 17 I N 4.058 124.627 120.570 -0.002 0.000 2.531 17 I HA 0.694 4.864 4.170 0.000 0.000 0.283 17 I C 0.899 177.014 176.117 -0.003 0.000 1.083 17 I CA -0.185 61.113 61.300 -0.003 0.000 1.071 17 I CB 1.485 39.484 38.000 -0.002 0.000 1.210 17 I HN 0.785 nan 8.210 nan 0.000 0.450 18 G N 4.556 113.353 108.800 -0.004 0.000 2.634 18 G HA2 -0.338 3.622 3.960 0.000 0.000 0.309 18 G HA3 -0.338 3.622 3.960 0.000 0.000 0.309 18 G C 0.904 175.802 174.900 -0.003 0.000 1.265 18 G CA 0.692 45.789 45.100 -0.005 0.000 0.998 18 G HN 0.996 nan 8.290 nan 0.000 0.551 19 A N -0.649 122.169 122.820 -0.004 0.000 2.208 19 A HA 0.481 4.801 4.320 0.000 0.000 0.209 19 A C 1.140 178.726 177.584 0.003 0.000 1.161 19 A CA 0.911 52.947 52.037 -0.001 0.000 0.782 19 A CB -0.095 18.903 19.000 -0.004 0.000 0.816 19 A HN 0.599 nan 8.150 nan 0.000 0.477 20 I N 1.383 121.954 120.570 0.003 0.000 2.352 20 I HA 0.236 4.406 4.170 0.000 0.000 0.290 20 I C -0.511 175.612 176.117 0.010 0.000 1.036 20 I CA -0.150 61.155 61.300 0.008 0.000 1.336 20 I CB 0.778 38.782 38.000 0.006 0.000 1.407 20 I HN -0.128 nan 8.210 nan 0.000 0.497 21 V N 6.158 126.082 119.914 0.016 0.000 2.487 21 V HA 0.341 4.461 4.120 0.000 0.000 0.298 21 V C -0.483 175.626 176.094 0.026 0.000 1.028 21 V CA -0.872 61.438 62.300 0.016 0.000 0.860 21 V CB 2.297 34.129 31.823 0.015 0.000 0.991 21 V HN 0.544 nan 8.190 nan 0.000 0.427 22 D N 3.841 124.254 120.400 0.022 0.000 2.317 22 D HA 0.465 5.105 4.640 0.000 0.000 0.234 22 D C -0.460 175.861 176.300 0.034 0.000 1.112 22 D CA -0.002 54.019 54.000 0.036 0.000 0.840 22 D CB 2.070 42.887 40.800 0.029 0.000 1.078 22 D HN 0.241 nan 8.370 nan 0.000 0.486 23 V N 3.007 122.958 119.914 0.062 0.000 2.459 23 V HA 0.210 4.330 4.120 0.000 0.000 0.295 23 V C 0.074 176.186 176.094 0.031 0.000 1.029 23 V CA -0.811 61.493 62.300 0.006 0.000 0.874 23 V CB 2.010 33.842 31.823 0.015 0.000 0.985 23 V HN 0.543 nan 8.190 nan 0.000 0.438 24 H N 3.587 122.517 119.070 -0.235 0.000 2.472 24 H HA 0.658 5.214 4.556 0.000 0.000 0.338 24 H C -1.502 173.573 175.328 -0.421 0.000 1.133 24 H CA -0.237 55.715 56.048 -0.160 0.000 1.216 24 H CB 1.688 31.391 29.762 -0.098 0.000 1.497 24 H HN 0.520 nan 8.280 nan 0.000 0.500 25 F N 0.601 120.173 119.950 -0.630 0.000 2.953 25 F HA 0.269 4.797 4.527 0.000 0.000 0.360 25 F C 0.266 175.783 175.800 -0.471 0.000 1.249 25 F CA -0.816 56.950 58.000 -0.390 0.000 1.063 25 F CB 0.556 39.404 39.000 -0.252 0.000 1.500 25 F HN 0.439 nan 8.300 nan 0.000 0.517 26 E N -0.129 120.074 120.200 0.003 0.000 2.518 26 E HA 0.245 4.595 4.350 0.000 0.000 0.248 26 E C -1.128 175.455 176.600 -0.028 0.000 1.028 26 E CA -0.765 55.617 56.400 -0.030 0.000 0.922 26 E CB 0.215 29.923 29.700 0.013 0.000 1.299 26 E HN 0.486 nan 8.360 nan 0.000 0.457 27 Q N -0.148 119.647 119.800 -0.009 0.000 2.289 27 Q HA 0.176 4.516 4.340 0.000 0.000 0.273 27 Q C 0.153 176.144 176.000 -0.014 0.000 1.029 27 Q CA 0.415 56.214 55.803 -0.006 0.000 0.896 27 Q CB 0.186 28.928 28.738 0.007 0.000 1.182 27 Q HN 0.574 nan 8.270 nan 0.000 0.385 28 S N 1.014 116.702 115.700 -0.020 0.000 3.309 28 S HA -0.339 4.131 4.470 0.000 0.000 0.373 28 S C 0.425 175.000 174.600 -0.041 0.000 1.083 28 S CA 1.773 59.958 58.200 -0.024 0.000 1.059 28 S CB -1.857 61.338 63.200 -0.009 0.000 0.901 28 S HN 0.998 nan 8.310 nan 0.000 0.505 29 E N -0.150 120.014 120.200 -0.061 0.000 2.465 29 E HA 0.424 4.774 4.350 0.000 0.000 0.195 29 E C 0.362 176.837 176.600 -0.208 0.000 1.028 29 E CA -0.727 55.624 56.400 -0.082 0.000 0.899 29 E CB 0.040 29.725 29.700 -0.026 0.000 1.032 29 E HN 0.758 nan 8.360 nan 0.000 0.468 30 L N 3.232 124.302 121.223 -0.255 0.000 2.490 30 L HA 0.198 4.538 4.340 0.000 0.000 0.274 30 L C -1.732 174.903 176.870 -0.391 0.000 1.201 30 L CA -1.752 52.799 54.840 -0.481 0.000 0.869 30 L CB -0.056 41.751 42.059 -0.420 0.000 1.123 30 L HN 0.132 nan 8.230 nan 0.000 0.484 31 P HA 0.132 nan 4.420 nan 0.000 0.271 31 P C -0.617 176.649 177.300 -0.057 0.000 1.218 31 P CA -0.502 62.424 63.100 -0.290 0.000 0.780 31 P CB 0.874 32.368 31.700 -0.342 0.000 0.901 32 A N 3.857 126.668 122.820 -0.014 0.000 2.483 32 A HA 0.164 4.484 4.320 0.000 0.000 0.238 32 A C 0.782 178.384 177.584 0.030 0.000 1.070 32 A CA -0.366 51.683 52.037 0.021 0.000 0.770 32 A CB -0.564 18.418 19.000 -0.031 0.000 1.008 32 A HN 0.532 nan 8.150 nan 0.000 0.497 33 I N 1.493 122.065 120.570 0.003 0.000 2.710 33 I HA -0.024 4.146 4.170 0.000 0.000 0.286 33 I C 0.749 176.814 176.117 -0.086 0.000 1.181 33 I CA 0.665 61.953 61.300 -0.021 0.000 1.430 33 I CB 0.120 38.080 38.000 -0.067 0.000 1.367 33 I HN 0.788 nan 8.210 nan 0.000 0.577 34 L N 2.090 123.249 121.223 -0.106 0.000 3.853 34 L HA -0.217 4.123 4.340 0.000 0.000 0.416 34 L C 0.310 177.120 176.870 -0.100 0.000 0.766 34 L CA 0.007 54.721 54.840 -0.210 0.000 2.383 34 L CB -1.410 40.392 42.059 -0.429 0.000 1.276 34 L HN 0.686 nan 8.230 nan 0.000 0.597 35 N N 1.439 120.112 118.700 -0.045 0.000 2.395 35 N HA 0.372 5.112 4.740 0.000 0.000 0.246 35 N C 0.352 175.873 175.510 0.018 0.000 1.246 35 N CA 1.050 54.094 53.050 -0.010 0.000 0.879 35 N CB 0.778 39.252 38.487 -0.021 0.000 1.098 35 N HN 0.306 nan 8.380 nan 0.000 0.444 36 A N 3.338 126.179 122.820 0.034 0.000 2.347 36 A HA 0.376 4.696 4.320 0.000 0.000 0.287 36 A C 0.043 177.657 177.584 0.050 0.000 1.199 36 A CA -0.417 51.648 52.037 0.047 0.000 0.851 36 A CB -0.192 18.837 19.000 0.049 0.000 1.118 36 A HN 0.612 nan 8.150 nan 0.000 0.525 37 L N 2.305 123.565 121.223 0.062 0.000 2.334 37 L HA 0.519 4.859 4.340 0.000 0.000 0.275 37 L C 0.262 177.169 176.870 0.060 0.000 1.036 37 L CA -0.315 54.574 54.840 0.081 0.000 0.807 37 L CB 1.571 43.701 42.059 0.118 0.000 1.231 37 L HN 0.729 nan 8.230 nan 0.000 0.438 38 E N 2.830 123.064 120.200 0.056 0.000 2.272 38 E HA 0.556 4.906 4.350 0.000 0.000 0.269 38 E C -1.306 175.309 176.600 0.026 0.000 0.877 38 E CA -0.564 55.858 56.400 0.037 0.000 0.755 38 E CB 3.097 32.817 29.700 0.033 0.000 1.192 38 E HN 0.405 nan 8.360 nan 0.000 0.422 39 I N 2.388 122.968 120.570 0.017 0.000 2.418 39 I HA 0.295 4.465 4.170 0.000 0.000 0.287 39 I C 0.261 176.381 176.117 0.006 0.000 1.008 39 I CA -0.672 60.632 61.300 0.007 0.000 1.104 39 I CB 1.522 39.523 38.000 0.002 0.000 1.264 39 I HN 0.414 nan 8.210 nan 0.000 0.438 40 K N 3.889 124.291 120.400 0.003 0.000 2.350 40 K HA 0.572 4.892 4.320 0.000 0.000 0.279 40 K C 0.090 176.690 176.600 0.000 0.000 1.027 40 K CA -0.299 55.989 56.287 0.003 0.000 0.969 40 K CB 0.293 32.794 32.500 0.002 0.000 0.954 40 K HN 0.755 nan 8.250 nan 0.000 0.474 41 T N -0.908 113.646 114.554 0.001 0.000 2.807 41 T HA 0.647 4.997 4.350 0.000 0.000 0.277 41 T C -1.608 173.091 174.700 -0.001 0.000 1.006 41 T CA -0.887 61.212 62.100 -0.001 0.000 1.006 41 T CB 1.270 70.138 68.868 0.000 0.000 1.274 41 T HN 0.321 nan 8.240 nan 0.000 0.569 42 P HA 0.122 nan 4.420 nan 0.000 0.219 42 P C 2.081 179.380 177.300 -0.001 0.000 1.150 42 P CA 1.462 64.561 63.100 -0.002 0.000 0.814 42 P CB -0.315 31.384 31.700 -0.002 0.000 0.787 43 Q N -0.479 119.320 119.800 -0.000 0.000 2.049 43 Q HA 0.240 4.580 4.340 0.000 0.000 0.198 43 Q C 1.970 177.971 176.000 0.001 0.000 0.971 43 Q CA 2.113 57.916 55.803 0.000 0.000 0.833 43 Q CB -1.199 27.539 28.738 0.000 0.000 0.896 43 Q HN 0.378 nan 8.270 nan 0.000 0.434 44 G N -2.728 106.074 108.800 0.002 0.000 4.399 44 G HA2 0.475 4.435 3.960 0.000 0.000 0.159 44 G HA3 0.475 4.435 3.960 0.000 0.000 0.159 44 G C 0.052 174.955 174.900 0.005 0.000 1.458 44 G CA 0.877 45.979 45.100 0.004 0.000 0.942 44 G HN 1.265 nan 8.290 nan 0.000 0.306 45 K N -0.567 119.837 120.400 0.006 0.000 2.557 45 K HA 0.789 5.109 4.320 0.000 0.000 0.261 45 K C -1.978 174.628 176.600 0.010 0.000 0.932 45 K CA -0.144 56.148 56.287 0.009 0.000 0.829 45 K CB 1.553 34.060 32.500 0.011 0.000 1.358 45 K HN 1.458 nan 8.250 nan 0.000 0.430 46 L N 1.843 123.072 121.223 0.011 0.000 2.342 46 L HA 0.707 5.047 4.340 0.000 0.000 0.276 46 L C -0.842 176.039 176.870 0.018 0.000 0.997 46 L CA -0.712 54.136 54.840 0.013 0.000 0.838 46 L CB 1.699 43.764 42.059 0.009 0.000 1.224 46 L HN 0.477 nan 8.230 nan 0.000 0.416 47 V N 6.209 126.137 119.914 0.022 0.000 2.546 47 V HA 0.425 4.545 4.120 0.000 0.000 0.284 47 V C 0.311 176.425 176.094 0.034 0.000 1.050 47 V CA -0.330 61.988 62.300 0.030 0.000 0.981 47 V CB 1.203 33.045 31.823 0.032 0.000 0.990 47 V HN 0.671 nan 8.190 nan 0.000 0.474 48 L N 3.857 125.105 121.223 0.041 0.000 2.333 48 L HA 0.705 5.045 4.340 0.000 0.000 0.269 48 L C -0.183 176.717 176.870 0.051 0.000 1.010 48 L CA -0.456 54.411 54.840 0.044 0.000 0.818 48 L CB 2.049 44.137 42.059 0.048 0.000 1.306 48 L HN 0.663 nan 8.230 nan 0.000 0.430 49 E N 0.905 121.134 120.200 0.048 0.000 2.272 49 E HA 0.464 4.814 4.350 0.000 0.000 0.269 49 E C -1.463 175.157 176.600 0.033 0.000 0.877 49 E CA -0.752 55.674 56.400 0.044 0.000 0.755 49 E CB 2.441 32.176 29.700 0.058 0.000 1.192 49 E HN 0.318 nan 8.360 nan 0.000 0.422 50 V N 2.927 122.855 119.914 0.024 0.000 2.715 50 V HA 0.293 4.413 4.120 0.000 0.000 0.299 50 V C 0.811 176.915 176.094 0.017 0.000 1.054 50 V CA 0.762 63.082 62.300 0.033 0.000 1.077 50 V CB 0.998 32.846 31.823 0.042 0.000 0.972 50 V HN 0.897 nan 8.190 nan 0.000 0.484 51 A N 3.072 125.913 122.820 0.035 0.000 2.009 51 A HA 0.374 4.694 4.320 0.000 0.000 0.197 51 A C 0.644 178.251 177.584 0.037 0.000 1.471 51 A CA 0.095 52.143 52.037 0.019 0.000 0.973 51 A CB 0.419 19.429 19.000 0.016 0.000 1.020 51 A HN 0.770 nan 8.150 nan 0.000 0.476 52 Q N -0.668 119.178 119.800 0.077 0.000 2.421 52 Q HA 0.431 4.771 4.340 0.000 0.000 0.280 52 Q C -1.563 174.566 176.000 0.214 0.000 1.085 52 Q CA -0.550 55.313 55.803 0.102 0.000 0.807 52 Q CB 2.066 30.844 28.738 0.066 0.000 1.405 52 Q HN 0.593 nan 8.270 nan 0.000 0.419 53 H N 2.226 121.293 119.070 -0.006 0.000 2.641 53 H HA 0.217 4.773 4.556 0.000 0.000 0.295 53 H C 0.553 175.890 175.328 0.014 0.000 1.070 53 H CA -0.245 55.804 56.048 0.001 0.000 1.257 53 H CB 0.944 30.696 29.762 -0.016 0.000 1.393 53 H HN 0.489 nan 8.280 nan 0.000 0.464 54 L N 2.818 124.106 121.223 0.108 0.000 2.275 54 L HA 0.034 4.374 4.340 0.000 0.000 0.215 54 L C 1.317 178.231 176.870 0.073 0.000 1.119 54 L CA 0.836 55.722 54.840 0.077 0.000 0.790 54 L CB -0.188 41.908 42.059 0.062 0.000 0.919 54 L HN 0.881 nan 8.230 nan 0.000 0.443 55 G N -1.265 107.583 108.800 0.080 0.000 2.592 55 G HA2 0.109 4.069 3.960 0.000 0.000 0.684 55 G HA3 0.109 4.069 3.960 0.000 0.000 0.684 55 G C 0.259 175.202 174.900 0.072 0.000 1.291 55 G CA -0.023 45.119 45.100 0.069 0.000 0.891 55 G HN 0.369 nan 8.290 nan 0.000 0.544 56 E N -0.730 119.512 120.200 0.070 0.000 2.403 56 E HA -0.289 4.061 4.350 0.000 0.000 0.241 56 E C 1.287 177.976 176.600 0.148 0.000 1.201 56 E CA 1.808 58.262 56.400 0.091 0.000 0.721 56 E CB -2.016 27.729 29.700 0.075 0.000 1.245 56 E HN 2.494 nan 8.360 nan 0.000 0.392 57 N N -1.491 117.262 118.700 0.089 0.000 2.741 57 N HA -0.150 4.590 4.740 0.000 0.000 0.251 57 N C 0.052 175.590 175.510 0.047 0.000 1.112 57 N CA 1.695 54.759 53.050 0.023 0.000 0.750 57 N CB -1.519 36.946 38.487 -0.038 0.000 1.119 57 N HN 0.990 nan 8.380 nan 0.000 0.561 58 T N -0.498 114.146 114.554 0.149 0.000 2.945 58 T HA 0.711 5.061 4.350 0.000 0.000 0.286 58 T C 0.491 175.227 174.700 0.059 0.000 1.025 58 T CA -0.539 61.668 62.100 0.178 0.000 1.039 58 T CB 2.715 71.698 68.868 0.192 0.000 1.068 58 T HN 0.137 nan 8.240 nan 0.000 0.497 59 V N -0.325 119.638 119.914 0.082 0.000 2.925 59 V HA 0.768 4.888 4.120 0.000 0.000 0.311 59 V C -0.688 175.450 176.094 0.073 0.000 1.104 59 V CA -1.450 60.869 62.300 0.032 0.000 0.954 59 V CB 1.887 33.678 31.823 -0.054 0.000 1.022 59 V HN 0.840 nan 8.190 nan 0.000 0.427 60 R N 2.152 122.691 120.500 0.065 0.000 2.297 60 R HA 0.751 5.091 4.340 0.000 0.000 0.308 60 R C -0.025 176.308 176.300 0.055 0.000 1.029 60 R CA 0.478 56.611 56.100 0.056 0.000 0.929 60 R CB 1.375 31.702 30.300 0.045 0.000 1.046 60 R HN 1.184 nan 8.270 nan 0.000 0.461 61 T N 1.676 116.260 114.554 0.049 0.000 2.916 61 T HA 0.555 4.905 4.350 0.000 0.000 0.292 61 T C 0.062 174.781 174.700 0.031 0.000 1.055 61 T CA -0.905 61.222 62.100 0.045 0.000 1.009 61 T CB 1.122 70.024 68.868 0.058 0.000 1.118 61 T HN 0.419 nan 8.240 nan 0.000 0.497 62 I N 1.343 121.930 120.570 0.028 0.000 2.525 62 I HA 0.631 4.801 4.170 0.000 0.000 0.301 62 I C 0.516 176.646 176.117 0.023 0.000 0.992 62 I CA -1.441 59.871 61.300 0.020 0.000 1.162 62 I CB 1.729 39.738 38.000 0.014 0.000 1.332 62 I HN 0.919 nan 8.210 nan 0.000 0.458 63 A N 6.097 128.926 122.820 0.016 0.000 2.310 63 A HA 0.569 4.889 4.320 0.000 0.000 0.299 63 A C 0.534 178.128 177.584 0.015 0.000 1.147 63 A CA -0.503 51.544 52.037 0.016 0.000 0.818 63 A CB 0.845 19.852 19.000 0.010 0.000 1.096 63 A HN 0.774 nan 8.150 nan 0.000 0.495 64 M N 0.538 120.149 119.600 0.019 0.000 2.382 64 M HA 0.221 4.701 4.480 0.000 0.000 0.247 64 M C -0.335 175.975 176.300 0.016 0.000 1.104 64 M CA 0.544 55.856 55.300 0.020 0.000 1.030 64 M CB -0.748 31.868 32.600 0.027 0.000 1.424 64 M HN 0.731 nan 8.290 nan 0.000 0.486 65 D N -0.969 119.438 120.400 0.012 0.000 2.752 65 D HA 0.513 5.153 4.640 0.000 0.000 0.313 65 D C -0.397 175.906 176.300 0.006 0.000 1.225 65 D CA -0.150 53.855 54.000 0.009 0.000 0.976 65 D CB 1.338 42.144 40.800 0.009 0.000 1.443 65 D HN 0.101 nan 8.370 nan 0.000 0.515 66 G N -0.943 107.859 108.800 0.003 0.000 2.474 66 G HA2 0.324 4.284 3.960 0.000 0.000 0.233 66 G HA3 0.324 4.284 3.960 0.000 0.000 0.233 66 G C 0.561 175.462 174.900 0.001 0.000 1.278 66 G CA 0.458 45.558 45.100 0.001 0.000 0.861 66 G HN 0.393 nan 8.290 nan 0.000 0.567 67 T N -1.533 113.021 114.554 -0.000 0.000 3.228 67 T HA 0.229 4.579 4.350 0.000 0.000 0.278 67 T C 0.376 175.075 174.700 -0.003 0.000 1.014 67 T CA -0.375 61.725 62.100 -0.001 0.000 0.904 67 T CB 0.199 69.067 68.868 -0.000 0.000 1.110 67 T HN 0.637 nan 8.240 nan 0.000 0.541 68 E N 1.547 121.745 120.200 -0.003 0.000 2.290 68 E HA 0.431 4.782 4.350 0.000 0.000 0.277 68 E C 0.946 177.544 176.600 -0.004 0.000 1.035 68 E CA 0.022 56.419 56.400 -0.004 0.000 0.873 68 E CB 0.619 30.317 29.700 -0.004 0.000 1.029 68 E HN 0.441 nan 8.360 nan 0.000 0.419 69 G N 3.124 111.921 108.800 -0.005 0.000 2.176 69 G HA2 -0.222 3.738 3.960 0.000 0.000 0.232 69 G HA3 -0.222 3.738 3.960 0.000 0.000 0.232 69 G C 0.098 174.994 174.900 -0.007 0.000 0.986 69 G CA 0.010 45.106 45.100 -0.006 0.000 0.643 69 G HN 0.476 nan 8.290 nan 0.000 0.522 70 L N 0.892 122.111 121.223 -0.007 0.000 2.397 70 L HA 0.558 4.898 4.340 0.000 0.000 0.271 70 L C 0.495 177.359 176.870 -0.012 0.000 1.148 70 L CA -0.585 54.250 54.840 -0.009 0.000 0.825 70 L CB 1.456 43.510 42.059 -0.008 0.000 1.117 70 L HN -0.041 nan 8.230 nan 0.000 0.456 71 V N 3.552 123.457 119.914 -0.014 0.000 2.495 71 V HA 0.328 4.448 4.120 0.000 0.000 0.298 71 V C 0.200 176.282 176.094 -0.021 0.000 1.031 71 V CA -0.865 61.425 62.300 -0.016 0.000 0.871 71 V CB 1.752 33.566 31.823 -0.016 0.000 0.988 71 V HN 0.681 nan 8.190 nan 0.000 0.432 72 R N 2.972 123.459 120.500 -0.022 0.000 2.486 72 R HA 0.349 4.689 4.340 0.000 0.000 0.303 72 R C 1.270 177.550 176.300 -0.032 0.000 0.958 72 R CA 1.162 57.245 56.100 -0.028 0.000 1.077 72 R CB -0.064 30.219 30.300 -0.028 0.000 0.921 72 R HN 1.189 nan 8.270 nan 0.000 0.406 73 G N 1.985 110.761 108.800 -0.040 0.000 2.184 73 G HA2 -0.257 3.703 3.960 0.000 0.000 0.206 73 G HA3 -0.257 3.703 3.960 0.000 0.000 0.206 73 G C 0.075 174.948 174.900 -0.045 0.000 0.995 73 G CA -0.265 44.809 45.100 -0.044 0.000 0.651 73 G HN 0.599 nan 8.290 nan 0.000 0.511 74 E N 1.338 121.514 120.200 -0.041 0.000 2.398 74 E HA 0.500 4.850 4.350 0.000 0.000 0.263 74 E C 0.961 177.530 176.600 -0.052 0.000 1.046 74 E CA 0.320 56.697 56.400 -0.038 0.000 0.908 74 E CB 0.310 29.993 29.700 -0.028 0.000 0.963 74 E HN 0.600 nan 8.360 nan 0.000 0.431 75 K N 1.959 122.332 120.400 -0.046 0.000 2.448 75 K HA 0.238 4.558 4.320 0.000 0.000 0.278 75 K C -0.604 175.964 176.600 -0.054 0.000 1.009 75 K CA -0.131 56.122 56.287 -0.055 0.000 0.995 75 K CB 0.686 33.165 32.500 -0.036 0.000 0.917 75 K HN 0.308 nan 8.250 nan 0.000 0.481 76 V N 2.402 122.267 119.914 -0.081 0.000 2.656 76 V HA 0.545 4.665 4.120 0.000 0.000 0.307 76 V C -0.828 175.265 176.094 -0.001 0.000 1.051 76 V CA -0.959 61.310 62.300 -0.051 0.000 0.893 76 V CB 1.575 33.340 31.823 -0.097 0.000 0.999 76 V HN 0.832 nan 8.190 nan 0.000 0.426 77 L N 3.237 124.491 121.223 0.052 0.000 2.322 77 L HA 0.656 4.996 4.340 0.000 0.000 0.281 77 L C -0.375 176.570 176.870 0.124 0.000 1.014 77 L CA -0.025 54.865 54.840 0.083 0.000 0.815 77 L CB 1.637 43.725 42.059 0.049 0.000 1.247 77 L HN 0.723 nan 8.230 nan 0.000 0.421 78 D N 2.043 122.534 120.400 0.152 0.000 2.365 78 D HA 0.102 4.742 4.640 0.000 0.000 0.237 78 D C 0.983 177.314 176.300 0.051 0.000 1.190 78 D CA 0.192 54.251 54.000 0.099 0.000 0.867 78 D CB 1.166 42.001 40.800 0.058 0.000 1.050 78 D HN 0.672 nan 8.370 nan 0.000 0.491 79 T N 0.892 115.471 114.554 0.041 0.000 3.194 79 T HA 0.263 4.613 4.350 0.000 0.000 0.251 79 T C 1.515 176.227 174.700 0.019 0.000 1.132 79 T CA 0.451 62.569 62.100 0.030 0.000 1.028 79 T CB -0.137 68.750 68.868 0.031 0.000 0.976 79 T HN 0.565 nan 8.240 nan 0.000 0.535 80 G N 0.004 108.809 108.800 0.009 0.000 2.320 80 G HA2 -0.055 3.905 3.960 0.000 0.000 0.242 80 G HA3 -0.055 3.905 3.960 0.000 0.000 0.242 80 G C 0.437 175.337 174.900 -0.000 0.000 1.033 80 G CA -0.182 44.917 45.100 -0.000 0.000 0.620 80 G HN 1.225 nan 8.290 nan 0.000 0.517 81 G N -0.351 108.455 108.800 0.010 0.000 3.015 81 G HA2 0.795 4.755 3.960 0.000 0.000 0.281 81 G HA3 0.795 4.755 3.960 0.000 0.000 0.281 81 G C -3.154 171.763 174.900 0.028 0.000 1.386 81 G CA -0.544 44.565 45.100 0.016 0.000 0.959 81 G HN 0.261 nan 8.290 nan 0.000 0.522 82 P HA 0.350 nan 4.420 nan 0.000 0.276 82 P C 0.049 177.407 177.300 0.097 0.000 1.261 82 P CA -0.647 62.505 63.100 0.086 0.000 0.800 82 P CB 0.754 32.542 31.700 0.147 0.000 1.066 83 I N 0.407 121.051 120.570 0.125 0.000 2.919 83 I HA -0.102 4.068 4.170 0.000 0.000 0.299 83 I C 0.450 176.600 176.117 0.055 0.000 1.221 83 I CA 1.373 62.722 61.300 0.082 0.000 1.424 83 I CB -0.487 37.563 38.000 0.084 0.000 1.358 83 I HN 0.186 nan 8.210 nan 0.000 0.551 84 S N 5.915 121.635 115.700 0.033 0.000 2.472 84 S HA 0.649 5.119 4.470 0.000 0.000 0.303 84 S C -0.377 174.223 174.600 0.001 0.000 1.099 84 S CA -0.791 57.419 58.200 0.016 0.000 1.077 84 S CB 1.870 65.078 63.200 0.014 0.000 1.031 84 S HN 0.480 nan 8.310 nan 0.000 0.487 85 V N 0.572 120.478 119.914 -0.013 0.000 2.680 85 V HA 0.731 4.851 4.120 0.000 0.000 0.309 85 V C -2.839 173.223 176.094 -0.052 0.000 1.052 85 V CA -3.067 59.219 62.300 -0.023 0.000 0.908 85 V CB 1.354 33.166 31.823 -0.018 0.000 1.001 85 V HN 0.602 nan 8.190 nan 0.000 0.431 86 P HA 0.197 nan 4.420 nan 0.000 0.265 86 P C -0.312 176.908 177.300 -0.134 0.000 1.193 86 P CA 0.380 63.427 63.100 -0.089 0.000 0.765 86 P CB 0.999 32.669 31.700 -0.050 0.000 0.823 87 V N -0.592 119.159 119.914 -0.272 0.000 3.126 87 V HA 0.957 5.077 4.120 0.000 0.000 0.314 87 V C 0.393 176.164 176.094 -0.538 0.000 1.138 87 V CA -0.197 61.840 62.300 -0.438 0.000 1.034 87 V CB 1.019 32.383 31.823 -0.766 0.000 1.075 87 V HN 0.993 nan 8.190 nan 0.000 0.442 88 G N 1.191 109.660 108.800 -0.551 0.000 2.660 88 G HA2 -0.178 3.782 3.960 0.000 0.000 0.215 88 G HA3 -0.178 3.782 3.960 0.000 0.000 0.215 88 G C 0.215 175.067 174.900 -0.079 0.000 1.345 88 G CA 0.383 45.222 45.100 -0.434 0.000 0.877 88 G HN 0.960 nan 8.290 nan 0.000 0.549 89 R N 0.236 120.749 120.500 0.022 0.000 2.237 89 R HA -0.010 4.331 4.340 0.000 0.000 0.219 89 R C 2.275 178.656 176.300 0.135 0.000 1.080 89 R CA 1.385 57.609 56.100 0.206 0.000 0.995 89 R CB -0.137 30.263 30.300 0.167 0.000 0.875 89 R HN 0.555 nan 8.270 nan 0.000 0.462 90 E N -0.317 119.918 120.200 0.059 0.000 2.204 90 E HA -0.126 4.224 4.350 0.000 0.000 0.194 90 E C 1.760 178.395 176.600 0.058 0.000 0.989 90 E CA 1.720 58.145 56.400 0.042 0.000 0.824 90 E CB 0.029 29.730 29.700 0.002 0.000 0.756 90 E HN 0.463 nan 8.360 nan 0.000 0.477 91 T N -1.179 113.422 114.554 0.079 0.000 3.067 91 T HA 0.084 4.434 4.350 0.000 0.000 0.261 91 T C 1.287 176.055 174.700 0.112 0.000 1.110 91 T CA -0.139 62.014 62.100 0.088 0.000 1.113 91 T CB -0.091 68.831 68.868 0.089 0.000 0.917 91 T HN -0.036 nan 8.240 nan 0.000 0.499 92 L N 2.334 123.641 121.223 0.140 0.000 2.615 92 L HA 0.342 4.682 4.340 0.000 0.000 0.271 92 L C 1.532 178.452 176.870 0.084 0.000 1.183 92 L CA 1.052 55.957 54.840 0.108 0.000 0.933 92 L CB -0.125 42.006 42.059 0.120 0.000 1.199 92 L HN 0.649 nan 8.230 nan 0.000 0.487 93 G N 2.497 111.345 108.800 0.081 0.000 2.157 93 G HA2 -0.199 3.761 3.960 0.000 0.000 0.248 93 G HA3 -0.199 3.761 3.960 0.000 0.000 0.248 93 G C 0.253 175.235 174.900 0.136 0.000 0.979 93 G CA -0.466 44.690 45.100 0.093 0.000 0.650 93 G HN 0.475 nan 8.290 nan 0.000 0.529 94 R N -0.338 120.237 120.500 0.125 0.000 2.758 94 R HA 0.733 5.073 4.340 0.000 0.000 0.265 94 R C 0.310 176.678 176.300 0.114 0.000 1.016 94 R CA -1.019 55.152 56.100 0.119 0.000 1.040 94 R CB 0.908 31.257 30.300 0.082 0.000 1.152 94 R HN 0.266 nan 8.270 nan 0.000 0.503 95 I N 2.813 123.424 120.570 0.070 0.000 2.321 95 I HA 0.353 4.523 4.170 0.000 0.000 0.291 95 I C -0.234 175.916 176.117 0.056 0.000 0.998 95 I CA -0.650 60.681 61.300 0.051 0.000 1.227 95 I CB 0.967 38.921 38.000 -0.076 0.000 1.368 95 I HN 0.263 nan 8.210 nan 0.000 0.466 96 I N 6.045 126.661 120.570 0.077 0.000 2.509 96 I HA 0.320 4.490 4.170 0.000 0.000 0.293 96 I C -0.003 176.156 176.117 0.070 0.000 1.020 96 I CA -0.473 60.861 61.300 0.056 0.000 1.088 96 I CB 1.641 39.665 38.000 0.040 0.000 1.267 96 I HN 0.597 nan 8.210 nan 0.000 0.430 97 N N 4.584 123.317 118.700 0.055 0.000 2.538 97 N HA 0.244 4.984 4.740 0.000 0.000 0.292 97 N C 0.832 176.364 175.510 0.037 0.000 1.262 97 N CA -0.748 52.338 53.050 0.060 0.000 0.976 97 N CB 0.334 38.853 38.487 0.053 0.000 1.161 97 N HN 0.359 nan 8.380 nan 0.000 0.598 98 V N 0.017 119.952 119.914 0.036 0.000 2.250 98 V HA -0.220 3.900 4.120 0.000 0.000 0.250 98 V C 1.668 177.772 176.094 0.017 0.000 1.060 98 V CA 2.230 64.543 62.300 0.022 0.000 1.030 98 V CB -0.826 31.012 31.823 0.026 0.000 0.643 98 V HN 0.676 nan 8.190 nan 0.000 0.445 99 I N -1.722 118.861 120.570 0.022 0.000 3.680 99 I HA 0.390 4.560 4.170 0.000 0.000 0.306 99 I C 1.512 177.639 176.117 0.016 0.000 1.260 99 I CA 0.837 62.149 61.300 0.021 0.000 1.201 99 I CB -0.832 37.182 38.000 0.024 0.000 1.009 99 I HN 0.483 nan 8.210 nan 0.000 0.467 100 G N 1.215 110.023 108.800 0.013 0.000 2.213 100 G HA2 -0.246 3.714 3.960 0.000 0.000 0.236 100 G HA3 -0.246 3.714 3.960 0.000 0.000 0.236 100 G C -0.002 174.905 174.900 0.011 0.000 0.991 100 G CA -0.116 44.989 45.100 0.008 0.000 0.629 100 G HN 0.581 nan 8.290 nan 0.000 0.517 101 E N 2.272 122.481 120.200 0.014 0.000 2.343 101 E HA 0.419 4.769 4.350 0.000 0.000 0.269 101 E C -2.116 174.494 176.600 0.017 0.000 1.047 101 E CA -1.614 54.794 56.400 0.013 0.000 0.874 101 E CB 1.216 30.924 29.700 0.013 0.000 1.033 101 E HN 0.224 nan 8.360 nan 0.000 0.409 102 P HA 0.025 nan 4.420 nan 0.000 0.275 102 P C 0.023 177.328 177.300 0.008 0.000 1.227 102 P CA 0.407 63.517 63.100 0.016 0.000 0.781 102 P CB 0.479 32.189 31.700 0.016 0.000 0.906 103 I N -1.277 119.292 120.570 -0.000 0.000 4.310 103 I HA 0.217 4.387 4.170 0.000 0.000 0.328 103 I C 0.374 176.459 176.117 -0.053 0.000 1.406 103 I CA -0.254 61.033 61.300 -0.020 0.000 1.174 103 I CB 0.163 38.153 38.000 -0.017 0.000 1.279 103 I HN 0.024 nan 8.210 nan 0.000 0.471 104 D N 0.922 121.295 120.400 -0.044 0.000 2.339 104 D HA -0.025 4.615 4.640 0.000 0.000 0.217 104 D C 0.444 176.747 176.300 0.005 0.000 1.050 104 D CA 0.016 53.987 54.000 -0.049 0.000 0.856 104 D CB -0.254 40.531 40.800 -0.025 0.000 0.922 104 D HN 0.508 nan 8.370 nan 0.000 0.518 105 E N -0.080 120.122 120.200 0.003 0.000 2.440 105 E HA -0.249 4.101 4.350 0.000 0.000 0.246 105 E C -0.335 176.280 176.600 0.024 0.000 1.165 105 E CA 0.253 56.660 56.400 0.011 0.000 0.726 105 E CB -1.073 28.632 29.700 0.007 0.000 1.271 105 E HN 0.461 nan 8.360 nan 0.000 0.397 106 R N 0.341 120.859 120.500 0.031 0.000 3.585 106 R HA 0.330 4.670 4.340 0.000 0.000 0.324 106 R C 0.846 177.163 176.300 0.029 0.000 1.372 106 R CA 0.236 56.358 56.100 0.037 0.000 1.291 106 R CB 0.830 31.164 30.300 0.056 0.000 1.470 106 R HN 0.325 nan 8.270 nan 0.000 0.633 107 G N 2.466 111.278 108.800 0.021 0.000 2.645 107 G HA2 -0.269 3.691 3.960 0.000 0.000 0.239 107 G HA3 -0.269 3.691 3.960 0.000 0.000 0.239 107 G C -2.452 172.458 174.900 0.016 0.000 1.331 107 G CA -0.902 44.208 45.100 0.017 0.000 0.890 107 G HN 0.291 nan 8.290 nan 0.000 0.572 108 P HA 0.625 nan 4.420 nan 0.000 0.280 108 P C -0.259 177.049 177.300 0.014 0.000 1.272 108 P CA -0.703 62.404 63.100 0.012 0.000 0.819 108 P CB 0.707 32.412 31.700 0.008 0.000 1.122 109 I N -0.082 120.494 120.570 0.010 0.000 2.316 109 I HA 0.243 4.413 4.170 0.000 0.000 0.286 109 I C 1.149 177.265 176.117 -0.001 0.000 1.107 109 I CA -0.480 60.825 61.300 0.009 0.000 1.219 109 I CB -0.104 37.901 38.000 0.009 0.000 1.455 109 I HN 0.274 nan 8.210 nan 0.000 0.498 110 K N 4.754 125.154 120.400 0.001 0.000 2.083 110 K HA 0.412 4.732 4.320 0.000 0.000 0.246 110 K C 0.217 176.810 176.600 -0.011 0.000 1.160 110 K CA -0.263 56.022 56.287 -0.004 0.000 1.060 110 K CB -0.556 31.945 32.500 0.002 0.000 1.417 110 K HN 0.672 nan 8.250 nan 0.000 0.329 111 S N -0.797 114.887 115.700 -0.026 0.000 2.578 111 S HA 0.636 5.106 4.470 0.000 0.000 0.301 111 S C 1.456 176.026 174.600 -0.050 0.000 1.091 111 S CA -0.084 58.089 58.200 -0.046 0.000 1.032 111 S CB 1.784 64.936 63.200 -0.079 0.000 1.064 111 S HN 0.704 nan 8.310 nan 0.000 0.508 112 K N 1.014 121.383 120.400 -0.052 0.000 2.283 112 K HA 0.363 4.683 4.320 0.000 0.000 0.202 112 K C 0.556 177.133 176.600 -0.040 0.000 1.048 112 K CA 1.005 57.272 56.287 -0.032 0.000 0.948 112 K CB -0.714 31.779 32.500 -0.012 0.000 0.742 112 K HN 0.699 nan 8.250 nan 0.000 0.458 113 L N -1.436 119.735 121.223 -0.087 0.000 2.424 113 L HA 0.708 5.048 4.340 0.000 0.000 0.258 113 L C -0.446 176.350 176.870 -0.122 0.000 0.995 113 L CA -1.383 53.406 54.840 -0.084 0.000 0.821 113 L CB 2.659 44.684 42.059 -0.057 0.000 1.383 113 L HN 0.283 nan 8.230 nan 0.000 0.410 114 R N 1.498 121.954 120.500 -0.072 0.000 2.451 114 R HA 0.789 5.129 4.340 0.000 0.000 0.307 114 R C -0.693 175.587 176.300 -0.032 0.000 0.965 114 R CA -0.275 55.786 56.100 -0.065 0.000 0.865 114 R CB 1.132 31.410 30.300 -0.036 0.000 1.174 114 R HN 0.612 nan 8.270 nan 0.000 0.455 115 K N 3.522 123.902 120.400 -0.033 0.000 2.110 115 K HA 0.776 5.096 4.320 0.000 0.000 0.263 115 K C -2.489 174.123 176.600 0.020 0.000 0.975 115 K CA -1.936 54.360 56.287 0.015 0.000 0.895 115 K CB 0.870 33.401 32.500 0.052 0.000 1.060 115 K HN 0.651 nan 8.250 nan 0.000 0.448 116 P HA 0.171 nan 4.420 nan 0.000 0.276 116 P C 0.652 177.976 177.300 0.039 0.000 1.230 116 P CA -0.301 62.829 63.100 0.050 0.000 0.776 116 P CB 0.466 32.206 31.700 0.068 0.000 0.888 117 I N 0.086 120.664 120.570 0.013 0.000 2.676 117 I HA -0.003 4.167 4.170 0.000 0.000 0.259 117 I C 0.516 176.538 176.117 -0.157 0.000 1.194 117 I CA 0.648 61.902 61.300 -0.078 0.000 1.473 117 I CB -0.710 37.214 38.000 -0.126 0.000 1.096 117 I HN 0.250 nan 8.210 nan 0.000 0.443 118 H N 2.923 122.007 119.070 0.023 0.000 2.652 118 H HA 0.719 5.275 4.556 0.000 0.000 0.298 118 H C -0.394 174.946 175.328 0.020 0.000 1.076 118 H CA -0.057 56.005 56.048 0.023 0.000 1.360 118 H CB 1.089 30.865 29.762 0.022 0.000 1.421 118 H HN 0.444 nan 8.280 nan 0.000 0.464 119 A N 3.587 126.468 122.820 0.101 0.000 2.515 119 A HA 0.280 4.600 4.320 0.000 0.000 0.298 119 A C -0.743 176.875 177.584 0.056 0.000 1.059 119 A CA -0.973 51.105 52.037 0.068 0.000 0.698 119 A CB 1.514 20.540 19.000 0.045 0.000 1.289 119 A HN 0.507 nan 8.150 nan 0.000 0.404 120 D N 3.089 123.516 120.400 0.046 0.000 2.390 120 D HA 0.395 5.035 4.640 0.000 0.000 0.249 120 D C -1.796 174.523 176.300 0.032 0.000 1.144 120 D CA -0.315 53.708 54.000 0.039 0.000 0.880 120 D CB 0.781 41.601 40.800 0.032 0.000 1.182 120 D HN 0.345 nan 8.370 nan 0.000 0.451 121 P HA 0.196 nan 4.420 nan 0.000 0.272 121 P C -2.556 174.763 177.300 0.031 0.000 1.223 121 P CA -1.105 62.012 63.100 0.028 0.000 0.784 121 P CB -0.389 31.331 31.700 0.034 0.000 0.923 122 P HA 0.005 nan 4.420 nan 0.000 0.262 122 P C 0.448 177.775 177.300 0.044 0.000 1.182 122 P CA 0.318 63.433 63.100 0.025 0.000 0.761 122 P CB 0.113 31.823 31.700 0.016 0.000 0.795 123 S N 2.672 118.399 115.700 0.046 0.000 2.634 123 S HA 0.132 4.602 4.470 0.000 0.000 0.261 123 S C 0.989 175.659 174.600 0.117 0.000 1.271 123 S CA -0.459 57.790 58.200 0.082 0.000 0.985 123 S CB 0.024 63.267 63.200 0.071 0.000 0.968 123 S HN 0.357 nan 8.310 nan 0.000 0.568 124 F N 1.640 121.591 119.950 0.003 0.000 2.154 124 F HA -0.073 4.454 4.527 0.000 0.000 0.301 124 F C 2.398 178.198 175.800 -0.001 0.000 1.087 124 F CA 1.252 59.253 58.000 0.001 0.000 1.274 124 F CB -1.257 37.744 39.000 0.000 0.000 1.009 124 F HN 0.750 nan 8.300 nan 0.000 0.485 125 A N 0.365 123.110 122.820 -0.125 0.000 1.859 125 A HA -0.201 4.119 4.320 0.000 0.000 0.217 125 A C 1.835 179.295 177.584 -0.207 0.000 1.198 125 A CA 2.192 54.106 52.037 -0.206 0.000 0.629 125 A CB -1.673 17.284 19.000 -0.072 0.000 0.830 125 A HN 0.488 nan 8.150 nan 0.000 0.446 126 E N 0.525 120.657 120.200 -0.112 0.000 2.424 126 E HA 0.279 4.629 4.350 0.000 0.000 0.237 126 E C -0.024 176.527 176.600 -0.081 0.000 1.381 126 E CA -0.264 56.086 56.400 -0.083 0.000 1.587 126 E CB -0.619 29.055 29.700 -0.044 0.000 1.398 126 E HN 0.606 nan 8.360 nan 0.000 0.439 127 Q N 0.521 120.245 119.800 -0.126 0.000 2.506 127 Q HA 0.264 4.604 4.340 0.000 0.000 0.242 127 Q C -0.560 175.391 176.000 -0.081 0.000 1.060 127 Q CA -0.303 55.446 55.803 -0.090 0.000 0.826 127 Q CB 1.249 29.935 28.738 -0.086 0.000 1.169 127 Q HN 0.340 nan 8.270 nan 0.000 0.521 128 S N 2.008 117.676 115.700 -0.052 0.000 2.430 128 S HA 0.122 4.592 4.470 0.000 0.000 0.282 128 S C 0.441 175.025 174.600 -0.027 0.000 1.186 128 S CA -0.385 57.790 58.200 -0.041 0.000 1.060 128 S CB 0.090 63.271 63.200 -0.031 0.000 0.966 128 S HN 0.486 nan 8.310 nan 0.000 0.501 129 T N 2.800 117.338 114.554 -0.027 0.000 4.104 129 T HA 0.295 4.645 4.350 0.000 0.000 0.285 129 T C 0.225 174.920 174.700 -0.009 0.000 1.346 129 T CA -0.639 61.453 62.100 -0.014 0.000 1.158 129 T CB -0.824 68.037 68.868 -0.012 0.000 1.290 129 T HN 0.549 nan 8.240 nan 0.000 0.975 130 S N 1.004 116.700 115.700 -0.006 0.000 2.566 130 S HA 0.674 5.144 4.470 0.000 0.000 0.324 130 S C 0.068 174.669 174.600 0.002 0.000 1.081 130 S CA -1.015 57.183 58.200 -0.004 0.000 1.105 130 S CB 1.075 64.272 63.200 -0.006 0.000 0.981 130 S HN 0.785 nan 8.310 nan 0.000 0.464 131 A N 2.999 125.821 122.820 0.003 0.000 2.376 131 A HA 0.673 4.993 4.320 0.000 0.000 0.298 131 A C 0.604 178.192 177.584 0.006 0.000 1.271 131 A CA 0.032 52.074 52.037 0.008 0.000 0.926 131 A CB -0.644 18.360 19.000 0.007 0.000 1.141 131 A HN 1.229 nan 8.150 nan 0.000 0.539 143 L N 0.440 121.798 121.223 0.225 0.000 2.095 143 L HA 0.264 4.604 4.340 0.000 0.000 0.204 143 L C 1.516 178.534 176.870 0.247 0.000 1.080 143 L CA 1.603 56.596 54.840 0.253 0.000 0.759 143 L CB 0.079 42.155 42.059 0.029 0.000 0.914 143 L HN 0.047 nan 8.230 nan 0.000 0.439 144 L N -1.644 119.677 121.223 0.164 0.000 2.717 144 L HA 0.419 4.759 4.340 0.000 0.000 0.239 144 L C 0.623 177.577 176.870 0.140 0.000 1.086 144 L CA 0.467 55.381 54.840 0.123 0.000 0.897 144 L CB 0.314 42.419 42.059 0.077 0.000 1.214 144 L HN 0.118 nan 8.230 nan 0.000 0.508 145 A N 0.397 123.320 122.820 0.171 0.000 3.448 145 A HA 0.438 4.758 4.320 0.000 0.000 0.232 145 A C -2.639 175.107 177.584 0.269 0.000 1.018 145 A CA -0.642 51.514 52.037 0.198 0.000 0.996 145 A CB -0.367 18.751 19.000 0.198 0.000 1.283 145 A HN -0.138 nan 8.150 nan 0.000 0.586 146 P HA 0.200 nan 4.420 nan 0.000 0.271 146 P C -0.506 177.003 177.300 0.349 0.000 1.218 146 P CA 0.285 63.519 63.100 0.224 0.000 0.780 146 P CB 0.591 32.354 31.700 0.105 0.000 0.901 147 Y N 0.430 120.767 120.300 0.063 0.000 2.258 147 Y HA 0.332 4.882 4.550 0.000 0.000 0.345 147 Y C 1.161 177.082 175.900 0.035 0.000 1.303 147 Y CA -1.230 56.902 58.100 0.054 0.000 1.537 147 Y CB -0.161 38.336 38.460 0.060 0.000 1.383 147 Y HN 0.394 nan 8.280 nan 0.000 0.606 148 A N 0.585 123.491 122.820 0.143 0.000 2.508 148 A HA 0.588 4.908 4.320 0.000 0.000 0.336 148 A C 0.474 178.092 177.584 0.056 0.000 1.360 148 A CA -0.696 51.383 52.037 0.069 0.000 0.841 148 A CB -0.673 18.341 19.000 0.023 0.000 1.136 148 A HN 0.749 nan 8.150 nan 0.000 0.489 149 R N 1.041 121.579 120.500 0.064 0.000 3.491 149 R HA 0.441 4.781 4.340 0.000 0.000 0.186 149 R C 1.039 177.356 176.300 0.029 0.000 1.737 149 R CA 0.866 56.997 56.100 0.051 0.000 1.218 149 R CB -1.220 29.104 30.300 0.041 0.000 1.301 149 R HN 2.089 nan 8.270 nan 0.000 0.703 150 G N -1.432 107.380 108.800 0.020 0.000 3.845 150 G HA2 0.124 4.084 3.960 0.000 0.000 0.198 150 G HA3 0.124 4.084 3.960 0.000 0.000 0.198 150 G C 0.804 175.702 174.900 -0.004 0.000 0.890 150 G CA 0.582 45.687 45.100 0.009 0.000 0.885 150 G HN 1.102 nan 8.290 nan 0.000 0.407 151 G N 0.132 108.926 108.800 -0.010 0.000 3.392 151 G HA2 0.594 4.554 3.960 0.000 0.000 0.188 151 G HA3 0.594 4.554 3.960 0.000 0.000 0.188 151 G C -0.579 174.291 174.900 -0.050 0.000 1.485 151 G CA -0.284 44.804 45.100 -0.020 0.000 0.943 151 G HN 0.302 nan 8.290 nan 0.000 0.627 152 K N -0.466 119.898 120.400 -0.060 0.000 2.427 152 K HA 0.603 4.923 4.320 0.000 0.000 0.252 152 K C -1.445 175.069 176.600 -0.143 0.000 0.931 152 K CA -0.288 55.937 56.287 -0.104 0.000 0.793 152 K CB 2.653 35.102 32.500 -0.085 0.000 1.211 152 K HN 0.256 nan 8.250 nan 0.000 0.426 153 I N 1.321 121.759 120.570 -0.220 0.000 2.436 153 I HA 0.400 4.570 4.170 0.000 0.000 0.289 153 I C 0.098 176.017 176.117 -0.329 0.000 1.010 153 I CA -0.699 60.401 61.300 -0.334 0.000 1.098 153 I CB 2.232 39.890 38.000 -0.570 0.000 1.266 153 I HN 0.639 nan 8.210 nan 0.000 0.434 154 G N 5.672 114.274 108.800 -0.329 0.000 2.372 154 G HA2 0.581 4.541 3.960 0.000 0.000 0.323 154 G HA3 0.581 4.541 3.960 0.000 0.000 0.323 154 G C -1.102 173.523 174.900 -0.459 0.000 1.152 154 G CA -0.398 44.414 45.100 -0.479 0.000 0.906 154 G HN 0.412 nan 8.290 nan 0.000 0.460 155 L N 3.804 124.750 121.223 -0.461 0.000 2.494 155 L HA 0.526 4.866 4.340 0.000 0.000 0.251 155 L C -0.420 176.269 176.870 -0.301 0.000 1.119 155 L CA -1.280 53.387 54.840 -0.289 0.000 1.026 155 L CB -0.976 40.994 42.059 -0.149 0.000 1.370 155 L HN 0.383 nan 8.230 nan 0.000 0.426 156 F N 1.629 121.469 119.950 -0.183 0.000 2.472 156 F HA 0.589 5.116 4.527 0.000 0.000 0.312 156 F C 1.414 177.143 175.800 -0.117 0.000 1.256 156 F CA 0.903 58.807 58.000 -0.161 0.000 1.275 156 F CB 0.506 39.399 39.000 -0.178 0.000 1.228 156 F HN 0.499 nan 8.300 nan 0.000 0.567 157 G N -0.485 108.389 108.800 0.123 0.000 2.307 157 G HA2 0.424 4.384 3.960 0.000 0.000 0.348 157 G HA3 0.424 4.384 3.960 0.000 0.000 0.348 157 G C -0.675 174.175 174.900 -0.084 0.000 1.603 157 G CA -0.691 44.423 45.100 0.022 0.000 0.961 157 G HN 0.954 nan 8.290 nan 0.000 0.686 158 G N -0.322 108.409 108.800 -0.114 0.000 2.553 158 G HA2 0.719 4.679 3.960 0.000 0.000 0.278 158 G HA3 0.719 4.679 3.960 0.000 0.000 0.278 158 G C 0.940 175.758 174.900 -0.136 0.000 1.349 158 G CA 0.561 45.514 45.100 -0.245 0.000 1.037 158 G HN 2.081 nan 8.290 nan 0.000 0.508 159 A N -1.179 121.587 122.820 -0.091 0.000 2.545 159 A HA 0.494 4.814 4.320 0.000 0.000 0.253 159 A C 1.531 179.183 177.584 0.114 0.000 1.074 159 A CA 1.010 53.148 52.037 0.168 0.000 0.760 159 A CB -0.797 18.332 19.000 0.215 0.000 1.005 159 A HN 2.538 nan 8.150 nan 0.000 0.506 160 G N 1.178 110.060 108.800 0.136 0.000 2.323 160 G HA2 -0.120 3.840 3.960 0.000 0.000 0.292 160 G HA3 -0.120 3.840 3.960 0.000 0.000 0.292 160 G C 0.625 175.591 174.900 0.111 0.000 1.040 160 G CA 0.971 46.137 45.100 0.111 0.000 0.942 160 G HN 2.247 nan 8.290 nan 0.000 0.506 161 V N -3.533 116.449 119.914 0.113 0.000 3.661 161 V HA 0.692 4.812 4.120 0.000 0.000 0.271 161 V C 1.395 177.606 176.094 0.194 0.000 1.315 161 V CA 0.805 63.187 62.300 0.136 0.000 1.072 161 V CB 0.391 32.265 31.823 0.085 0.000 0.830 161 V HN 2.250 nan 8.190 nan 0.000 0.443 162 G N 1.002 109.903 108.800 0.170 0.000 2.756 162 G HA2 -0.101 3.859 3.960 0.000 0.000 0.151 162 G HA3 -0.101 3.859 3.960 0.000 0.000 0.151 162 G C 0.064 175.082 174.900 0.196 0.000 1.071 162 G CA 0.142 45.368 45.100 0.210 0.000 0.881 162 G HN 0.392 nan 8.290 nan 0.000 0.517 163 K N -0.751 119.742 120.400 0.155 0.000 2.262 163 K HA 0.097 4.417 4.320 0.000 0.000 0.200 163 K C 2.328 179.050 176.600 0.203 0.000 1.058 163 K CA 1.226 57.593 56.287 0.134 0.000 0.974 163 K CB 0.171 32.726 32.500 0.093 0.000 0.910 163 K HN 0.269 nan 8.250 nan 0.000 0.484 164 T N 1.502 116.165 114.554 0.181 0.000 2.852 164 T HA -0.048 4.302 4.350 0.000 0.000 0.256 164 T C 2.053 176.848 174.700 0.159 0.000 1.038 164 T CA 0.781 62.984 62.100 0.173 0.000 1.141 164 T CB -0.084 68.867 68.868 0.139 0.000 0.869 164 T HN -0.128 nan 8.240 nan 0.000 0.439 165 V N 1.169 121.164 119.914 0.136 0.000 2.469 165 V HA -0.145 3.975 4.120 0.000 0.000 0.251 165 V C 2.012 178.170 176.094 0.107 0.000 1.064 165 V CA 1.491 63.841 62.300 0.084 0.000 1.066 165 V CB -0.738 31.109 31.823 0.040 0.000 0.667 165 V HN 0.388 nan 8.190 nan 0.000 0.461 166 F N -0.562 119.425 119.950 0.063 0.000 2.234 166 F HA -0.089 4.438 4.527 0.000 0.000 0.299 166 F C 1.993 177.853 175.800 0.099 0.000 1.087 166 F CA 1.626 59.679 58.000 0.088 0.000 1.340 166 F CB 0.057 39.128 39.000 0.119 0.000 1.031 166 F HN 0.056 nan 8.300 nan 0.000 0.500 167 I N -0.948 119.812 120.570 0.316 0.000 3.228 167 I HA -0.130 4.040 4.170 0.000 0.000 0.279 167 I C 1.789 177.941 176.117 0.059 0.000 1.221 167 I CA 0.536 61.987 61.300 0.252 0.000 1.458 167 I CB -0.098 38.088 38.000 0.309 0.000 1.105 167 I HN 0.094 nan 8.210 nan 0.000 0.445 168 Q N -0.105 119.710 119.800 0.024 0.000 2.245 168 Q HA -0.197 4.143 4.340 0.000 0.000 0.201 168 Q C 1.764 177.720 176.000 -0.073 0.000 0.955 168 Q CA 0.936 56.700 55.803 -0.065 0.000 0.870 168 Q CB 0.104 28.813 28.738 -0.049 0.000 0.945 168 Q HN 0.302 nan 8.270 nan 0.000 0.461 169 E N 1.379 121.547 120.200 -0.054 0.000 2.028 169 E HA -0.098 4.252 4.350 0.000 0.000 0.191 169 E C 1.321 177.879 176.600 -0.071 0.000 0.988 169 E CA 1.022 57.364 56.400 -0.095 0.000 0.799 169 E CB -0.104 29.487 29.700 -0.182 0.000 0.755 169 E HN 0.264 nan 8.360 nan 0.000 0.447 170 L N 0.468 121.687 121.223 -0.007 0.000 2.675 170 L HA 0.095 4.435 4.340 0.000 0.000 0.239 170 L C 1.491 178.403 176.870 0.070 0.000 1.151 170 L CA 0.097 54.991 54.840 0.089 0.000 0.905 170 L CB -0.075 42.149 42.059 0.274 0.000 1.057 170 L HN 0.231 nan 8.230 nan 0.000 0.435 171 I N -1.115 119.394 120.570 -0.102 0.000 3.445 171 I HA -0.065 4.105 4.170 0.000 0.000 0.288 171 I C 1.902 177.948 176.117 -0.119 0.000 1.198 171 I CA 0.274 61.432 61.300 -0.236 0.000 1.417 171 I CB 0.174 37.898 38.000 -0.459 0.000 1.205 171 I HN 0.169 nan 8.210 nan 0.000 0.448 172 N N 0.949 119.590 118.700 -0.098 0.000 2.571 172 N HA -0.112 4.628 4.740 0.000 0.000 0.189 172 N C 1.245 176.732 175.510 -0.039 0.000 1.154 172 N CA 1.066 54.074 53.050 -0.070 0.000 0.907 172 N CB 0.073 38.516 38.487 -0.074 0.000 0.977 172 N HN 0.200 nan 8.380 nan 0.000 0.449 173 N N -0.843 117.845 118.700 -0.019 0.000 2.516 173 N HA 0.154 4.894 4.740 0.000 0.000 0.197 173 N C 0.993 176.532 175.510 0.047 0.000 1.064 173 N CA 0.253 53.304 53.050 0.001 0.000 0.866 173 N CB 0.399 38.875 38.487 -0.017 0.000 1.255 173 N HN 0.132 nan 8.380 nan 0.000 0.447 174 I N 1.030 121.656 120.570 0.094 0.000 2.385 174 I HA 0.133 4.303 4.170 0.000 0.000 0.244 174 I C 2.318 178.545 176.117 0.183 0.000 1.089 174 I CA 0.521 61.931 61.300 0.185 0.000 1.410 174 I CB -1.536 36.644 38.000 0.300 0.000 1.117 174 I HN -0.091 nan 8.210 nan 0.000 0.429 175 A N 2.883 125.767 122.820 0.106 0.000 1.849 175 A HA -0.262 4.058 4.320 0.000 0.000 0.217 175 A C 2.295 179.913 177.584 0.056 0.000 1.202 175 A CA 2.724 54.789 52.037 0.047 0.000 0.629 175 A CB -0.897 18.083 19.000 -0.032 0.000 0.834 175 A HN 0.570 nan 8.150 nan 0.000 0.447 176 K N -0.484 119.932 120.400 0.027 0.000 2.209 176 K HA 0.159 4.479 4.320 0.000 0.000 0.204 176 K C 0.735 177.363 176.600 0.047 0.000 1.048 176 K CA 1.144 57.445 56.287 0.023 0.000 0.940 176 K CB -0.355 32.143 32.500 -0.003 0.000 0.729 176 K HN 0.342 nan 8.250 nan 0.000 0.451 177 A N 2.325 125.186 122.820 0.068 0.000 2.801 177 A HA 0.275 4.595 4.320 0.000 0.000 0.344 177 A C -1.264 176.400 177.584 0.133 0.000 1.322 177 A CA -0.568 51.511 52.037 0.070 0.000 0.913 177 A CB -0.095 18.929 19.000 0.039 0.000 1.140 177 A HN 0.415 nan 8.150 nan 0.000 0.487 178 H N 0.486 119.568 119.070 0.020 0.000 3.079 178 H HA 0.368 4.924 4.556 0.000 0.000 0.356 178 H C 0.920 176.260 175.328 0.020 0.000 1.221 178 H CA 0.238 56.301 56.048 0.027 0.000 1.185 178 H CB 1.927 31.713 29.762 0.041 0.000 1.882 178 H HN 0.462 nan 8.280 nan 0.000 0.543 179 G N 2.195 110.870 108.800 -0.207 0.000 2.524 179 G HA2 -0.037 3.923 3.960 0.000 0.000 0.215 179 G HA3 -0.037 3.923 3.960 0.000 0.000 0.215 179 G C 0.834 175.847 174.900 0.189 0.000 1.239 179 G CA 0.792 45.877 45.100 -0.026 0.000 0.798 179 G HN 0.618 nan 8.290 nan 0.000 0.557 180 G N -1.454 107.573 108.800 0.378 0.000 2.509 180 G HA2 0.549 4.509 3.960 0.000 0.000 0.269 180 G HA3 0.549 4.509 3.960 0.000 0.000 0.269 180 G C -0.455 174.524 174.900 0.133 0.000 1.416 180 G CA -0.094 45.167 45.100 0.268 0.000 1.052 180 G HN 0.715 nan 8.290 nan 0.000 0.542 181 F N -0.947 118.946 119.950 -0.095 0.000 2.483 181 F HA 0.760 5.287 4.527 0.000 0.000 0.329 181 F C 0.620 176.214 175.800 -0.343 0.000 1.064 181 F CA -0.985 56.850 58.000 -0.275 0.000 0.986 181 F CB 1.210 39.921 39.000 -0.482 0.000 1.218 181 F HN 0.631 nan 8.300 nan 0.000 0.484 182 S N -0.110 115.436 115.700 -0.256 0.000 2.593 182 S HA 0.791 5.261 4.470 0.000 0.000 0.297 182 S C -0.940 173.612 174.600 -0.080 0.000 1.112 182 S CA -0.649 57.488 58.200 -0.106 0.000 1.043 182 S CB 1.694 64.940 63.200 0.076 0.000 1.054 182 S HN 0.874 nan 8.310 nan 0.000 0.516 183 V N 2.416 122.350 119.914 0.033 0.000 2.623 183 V HA 0.470 4.590 4.120 0.000 0.000 0.304 183 V C -1.320 174.873 176.094 0.166 0.000 1.054 183 V CA -0.642 61.694 62.300 0.059 0.000 0.882 183 V CB 1.430 33.259 31.823 0.010 0.000 1.002 183 V HN 0.863 nan 8.190 nan 0.000 0.424 184 F N 3.328 123.275 119.950 -0.006 0.000 2.443 184 F HA 0.747 5.274 4.527 0.000 0.000 0.335 184 F C 0.298 175.987 175.800 -0.184 0.000 1.104 184 F CA 0.052 58.030 58.000 -0.036 0.000 1.013 184 F CB 1.919 40.869 39.000 -0.083 0.000 1.136 184 F HN 0.499 nan 8.300 nan 0.000 0.470 185 T N 3.858 117.968 114.554 -0.740 0.000 2.824 185 T HA 0.500 4.850 4.350 0.000 0.000 0.282 185 T C -0.055 174.172 174.700 -0.789 0.000 0.993 185 T CA -0.706 61.033 62.100 -0.602 0.000 0.967 185 T CB 1.498 70.151 68.868 -0.359 0.000 0.960 185 T HN 0.855 nan 8.240 nan 0.000 0.441 186 G N 1.797 110.197 108.800 -0.667 0.000 2.741 186 G HA2 0.497 4.457 3.960 0.000 0.000 0.336 186 G HA3 0.497 4.457 3.960 0.000 0.000 0.336 186 G C -0.329 174.545 174.900 -0.043 0.000 1.022 186 G CA -0.472 44.472 45.100 -0.259 0.000 1.193 186 G HN 0.689 nan 8.290 nan 0.000 0.455 187 V N 2.605 122.487 119.914 -0.053 0.000 2.320 187 V HA 0.545 4.665 4.120 0.000 0.000 0.265 187 V C 1.358 177.489 176.094 0.060 0.000 1.048 187 V CA 0.399 62.705 62.300 0.010 0.000 0.865 187 V CB 0.359 32.183 31.823 0.001 0.000 1.043 187 V HN 1.168 nan 8.190 nan 0.000 0.474 188 G N 3.158 112.005 108.800 0.079 0.000 2.153 188 G HA2 -0.199 3.761 3.960 0.000 0.000 0.252 188 G HA3 -0.199 3.761 3.960 0.000 0.000 0.252 188 G C 0.239 175.186 174.900 0.078 0.000 0.994 188 G CA 0.257 45.398 45.100 0.068 0.000 0.698 188 G HN 0.570 nan 8.290 nan 0.000 0.521 189 E N -0.325 119.942 120.200 0.112 0.000 3.099 189 E HA 0.460 4.810 4.350 0.000 0.000 0.259 189 E C 0.951 177.610 176.600 0.098 0.000 1.274 189 E CA -0.757 55.707 56.400 0.108 0.000 1.111 189 E CB 0.341 30.129 29.700 0.148 0.000 1.327 189 E HN 0.421 nan 8.360 nan 0.000 0.652 190 R N 0.230 120.779 120.500 0.082 0.000 2.267 190 R HA 0.164 4.504 4.340 0.000 0.000 0.319 190 R C 1.245 177.565 176.300 0.033 0.000 1.067 190 R CA 0.043 56.172 56.100 0.047 0.000 0.936 190 R CB 0.213 30.533 30.300 0.033 0.000 1.006 190 R HN 0.391 nan 8.270 nan 0.000 0.452 191 T N 2.824 117.375 114.554 -0.005 0.000 2.721 191 T HA -0.243 4.107 4.350 0.000 0.000 0.268 191 T C 1.722 176.357 174.700 -0.108 0.000 1.038 191 T CA 2.068 64.119 62.100 -0.081 0.000 1.145 191 T CB -0.160 68.661 68.868 -0.078 0.000 0.858 191 T HN 0.605 nan 8.240 nan 0.000 0.459 192 R N 1.857 122.325 120.500 -0.054 0.000 2.193 192 R HA -0.013 4.327 4.340 0.000 0.000 0.229 192 R C 1.795 178.074 176.300 -0.036 0.000 1.110 192 R CA 1.488 57.560 56.100 -0.047 0.000 0.988 192 R CB -0.477 29.809 30.300 -0.024 0.000 0.871 192 R HN 0.425 nan 8.270 nan 0.000 0.458 193 E N 0.021 120.215 120.200 -0.011 0.000 2.318 193 E HA 0.052 4.402 4.350 0.000 0.000 0.193 193 E C 1.922 178.535 176.600 0.021 0.000 0.998 193 E CA 0.682 57.097 56.400 0.025 0.000 0.859 193 E CB 0.092 29.838 29.700 0.077 0.000 0.812 193 E HN 0.631 nan 8.360 nan 0.000 0.492 194 G N 1.943 110.700 108.800 -0.073 0.000 2.408 194 G HA2 -0.309 3.651 3.960 0.000 0.000 0.217 194 G HA3 -0.309 3.651 3.960 0.000 0.000 0.217 194 G C 1.483 176.211 174.900 -0.287 0.000 1.150 194 G CA 0.969 45.861 45.100 -0.347 0.000 0.776 194 G HN 0.177 nan 8.290 nan 0.000 0.542 195 N N 1.041 119.623 118.700 -0.197 0.000 2.058 195 N HA -0.104 4.636 4.740 0.000 0.000 0.191 195 N C 1.692 177.195 175.510 -0.010 0.000 1.037 195 N CA 1.716 54.709 53.050 -0.094 0.000 0.848 195 N CB -0.202 38.238 38.487 -0.078 0.000 1.021 195 N HN 0.118 nan 8.380 nan 0.000 0.422 196 D N -0.089 120.299 120.400 -0.019 0.000 2.178 196 D HA -0.135 4.505 4.640 0.000 0.000 0.201 196 D C 1.808 178.101 176.300 -0.012 0.000 0.980 196 D CA 0.566 54.559 54.000 -0.011 0.000 0.842 196 D CB -0.271 40.523 40.800 -0.011 0.000 0.948 196 D HN 0.302 nan 8.370 nan 0.000 0.472 197 L N -0.442 120.776 121.223 -0.008 0.000 2.313 197 L HA -0.071 4.269 4.340 0.000 0.000 0.214 197 L C 1.978 178.849 176.870 0.002 0.000 1.119 197 L CA 0.923 55.737 54.840 -0.045 0.000 0.809 197 L CB -0.250 41.749 42.059 -0.100 0.000 0.933 197 L HN -0.074 nan 8.230 nan 0.000 0.449 198 Y N 0.371 120.615 120.300 -0.092 0.000 2.314 198 Y HA -0.091 4.459 4.550 0.000 0.000 0.293 198 Y C 2.634 178.495 175.900 -0.065 0.000 1.129 198 Y CA 1.796 59.854 58.100 -0.070 0.000 1.201 198 Y CB -0.293 38.128 38.460 -0.065 0.000 0.999 198 Y HN 0.164 nan 8.280 nan 0.000 0.541 199 R N 0.526 120.991 120.500 -0.059 0.000 2.119 199 R HA -0.020 4.320 4.340 0.000 0.000 0.222 199 R C 1.980 178.205 176.300 -0.126 0.000 1.088 199 R CA 1.578 57.606 56.100 -0.121 0.000 0.984 199 R CB -1.051 29.216 30.300 -0.057 0.000 0.884 199 R HN 0.583 nan 8.270 nan 0.000 0.447 200 E N -0.268 119.871 120.200 -0.101 0.000 2.107 200 E HA -0.061 4.289 4.350 0.000 0.000 0.191 200 E C 2.581 179.107 176.600 -0.123 0.000 0.982 200 E CA 1.515 57.854 56.400 -0.102 0.000 0.809 200 E CB -0.161 29.483 29.700 -0.093 0.000 0.756 200 E HN 0.587 nan 8.360 nan 0.000 0.459 201 M N 1.022 120.536 119.600 -0.144 0.000 2.549 201 M HA -0.036 4.444 4.480 0.000 0.000 0.260 201 M C 1.886 178.084 176.300 -0.169 0.000 1.076 201 M CA 1.495 56.706 55.300 -0.148 0.000 1.090 201 M CB -0.648 31.876 32.600 -0.126 0.000 1.418 201 M HN -0.087 nan 8.290 nan 0.000 0.486 202 K N 0.599 120.873 120.400 -0.210 0.000 2.067 202 K HA 0.064 4.384 4.320 0.000 0.000 0.203 202 K C 1.875 178.399 176.600 -0.125 0.000 1.048 202 K CA 1.516 57.688 56.287 -0.192 0.000 0.954 202 K CB -0.631 31.730 32.500 -0.232 0.000 0.737 202 K HN 0.704 nan 8.250 nan 0.000 0.444 203 E N 1.547 121.680 120.200 -0.112 0.000 2.485 203 E HA -0.009 4.341 4.350 0.000 0.000 0.194 203 E C 0.971 177.529 176.600 -0.070 0.000 1.098 203 E CA 0.803 57.153 56.400 -0.083 0.000 0.878 203 E CB -0.670 28.986 29.700 -0.075 0.000 0.939 203 E HN 0.415 nan 8.360 nan 0.000 0.503 204 T N -2.902 111.608 114.554 -0.074 0.000 3.041 204 T HA 0.436 4.786 4.350 0.000 0.000 0.276 204 T C 1.557 176.225 174.700 -0.054 0.000 0.948 204 T CA 0.302 62.366 62.100 -0.061 0.000 0.885 204 T CB 0.943 69.773 68.868 -0.063 0.000 1.175 204 T HN 1.275 nan 8.240 nan 0.000 0.529 205 G N 1.564 110.327 108.800 -0.062 0.000 2.171 205 G HA2 -0.252 3.708 3.960 0.000 0.000 0.238 205 G HA3 -0.252 3.708 3.960 0.000 0.000 0.238 205 G C 0.710 175.582 174.900 -0.047 0.000 1.039 205 G CA 0.206 45.275 45.100 -0.051 0.000 0.759 205 G HN 0.457 nan 8.290 nan 0.000 0.501 206 V N -0.435 119.443 119.914 -0.061 0.000 3.052 206 V HA 0.293 4.413 4.120 0.000 0.000 0.254 206 V C 1.356 177.419 176.094 -0.051 0.000 1.100 206 V CA 1.398 63.664 62.300 -0.056 0.000 1.112 206 V CB 0.030 31.808 31.823 -0.076 0.000 0.738 206 V HN 0.511 nan 8.190 nan 0.000 0.469 207 I N 1.210 121.740 120.570 -0.067 0.000 2.447 207 I HA 0.360 4.530 4.170 0.000 0.000 0.287 207 I C -0.591 175.489 176.117 -0.063 0.000 1.023 207 I CA -0.385 60.881 61.300 -0.057 0.000 1.083 207 I CB 1.681 39.636 38.000 -0.075 0.000 1.245 207 I HN -0.004 nan 8.210 nan 0.000 0.434 208 N N 6.887 125.566 118.700 -0.034 0.000 2.589 208 N HA 0.324 5.064 4.740 0.000 0.000 0.232 208 N C 0.747 176.244 175.510 -0.022 0.000 1.015 208 N CA -0.291 52.740 53.050 -0.031 0.000 0.931 208 N CB 0.870 39.347 38.487 -0.017 0.000 1.150 208 N HN 0.593 nan 8.380 nan 0.000 0.512 209 L N 1.002 122.203 121.223 -0.037 0.000 2.054 209 L HA -0.192 4.148 4.340 0.000 0.000 0.220 209 L C 0.977 177.843 176.870 -0.006 0.000 1.081 209 L CA 1.446 56.272 54.840 -0.023 0.000 0.780 209 L CB -0.184 41.853 42.059 -0.037 0.000 0.893 209 L HN 0.501 nan 8.230 nan 0.000 0.438 210 E N -0.393 119.801 120.200 -0.010 0.000 2.674 210 E HA 0.368 4.718 4.350 0.000 0.000 0.240 210 E C 0.191 176.791 176.600 0.001 0.000 1.213 210 E CA 0.400 56.798 56.400 -0.003 0.000 1.357 210 E CB 0.070 29.767 29.700 -0.005 0.000 1.467 210 E HN 0.327 nan 8.360 nan 0.000 0.448 211 G N 1.207 110.010 108.800 0.006 0.000 1.960 211 G HA2 -0.063 3.897 3.960 0.000 0.000 0.066 211 G HA3 -0.063 3.897 3.960 0.000 0.000 0.066 211 G C -1.025 173.885 174.900 0.016 0.000 0.709 211 G CA -0.658 44.448 45.100 0.010 0.000 1.109 211 G HN 0.143 nan 8.290 nan 0.000 0.343 212 E N 1.113 121.320 120.200 0.013 0.000 2.199 212 E HA 0.647 4.997 4.350 0.000 0.000 0.265 212 E C -1.206 175.402 176.600 0.013 0.000 0.882 212 E CA -0.359 56.053 56.400 0.019 0.000 0.759 212 E CB 1.882 31.594 29.700 0.021 0.000 1.148 212 E HN 0.280 nan 8.360 nan 0.000 0.412 213 S N 2.198 117.910 115.700 0.020 0.000 2.482 213 S HA 0.312 4.782 4.470 0.000 0.000 0.303 213 S C 0.806 175.410 174.600 0.008 0.000 1.091 213 S CA -0.871 57.335 58.200 0.011 0.000 1.057 213 S CB 1.894 65.106 63.200 0.020 0.000 1.031 213 S HN 0.326 nan 8.310 nan 0.000 0.485 214 K N 0.698 121.091 120.400 -0.011 0.000 2.400 214 K HA 0.205 4.525 4.320 0.000 0.000 0.194 214 K C 0.351 176.908 176.600 -0.073 0.000 1.033 214 K CA 0.301 56.569 56.287 -0.031 0.000 1.021 214 K CB 0.365 32.853 32.500 -0.021 0.000 0.808 214 K HN 0.370 nan 8.250 nan 0.000 0.505 215 V N 0.273 120.159 119.914 -0.046 0.000 3.046 215 V HA 0.721 4.841 4.120 0.000 0.000 0.316 215 V C -1.617 174.476 176.094 -0.002 0.000 1.104 215 V CA -0.840 61.434 62.300 -0.043 0.000 1.006 215 V CB 1.966 33.776 31.823 -0.023 0.000 1.058 215 V HN 0.147 nan 8.190 nan 0.000 0.440 216 A N 4.787 127.616 122.820 0.016 0.000 2.414 216 A HA 0.896 5.216 4.320 0.000 0.000 0.306 216 A C -1.569 176.071 177.584 0.093 0.000 1.054 216 A CA -0.647 51.429 52.037 0.065 0.000 0.724 216 A CB 1.472 20.516 19.000 0.073 0.000 1.267 216 A HN 0.800 nan 8.150 nan 0.000 0.418 217 L N 2.146 123.434 121.223 0.109 0.000 2.356 217 L HA 0.659 4.999 4.340 0.000 0.000 0.277 217 L C -0.893 176.008 176.870 0.051 0.000 0.996 217 L CA -0.952 53.954 54.840 0.111 0.000 0.822 217 L CB 1.785 43.968 42.059 0.207 0.000 1.256 217 L HN 0.408 nan 8.230 nan 0.000 0.413 218 V N 2.684 122.546 119.914 -0.088 0.000 2.628 218 V HA 0.551 4.671 4.120 0.000 0.000 0.306 218 V C -0.788 175.120 176.094 -0.309 0.000 1.045 218 V CA -0.458 61.784 62.300 -0.097 0.000 0.905 218 V CB 2.113 33.887 31.823 -0.081 0.000 0.997 218 V HN 0.400 nan 8.190 nan 0.000 0.436 219 F N 1.396 121.366 119.950 0.034 0.000 2.556 219 F HA 0.784 5.311 4.527 0.000 0.000 0.314 219 F C 0.534 176.342 175.800 0.014 0.000 1.106 219 F CA -0.556 57.463 58.000 0.032 0.000 0.911 219 F CB 2.630 41.644 39.000 0.022 0.000 1.190 219 F HN 0.563 nan 8.300 nan 0.000 0.448 220 G N 3.409 112.351 108.800 0.236 0.000 3.846 220 G HA2 0.290 4.250 3.960 0.000 0.000 0.281 220 G HA3 0.290 4.250 3.960 0.000 0.000 0.281 220 G C -1.000 173.984 174.900 0.139 0.000 1.384 220 G CA -0.502 44.680 45.100 0.137 0.000 0.641 220 G HN 0.281 nan 8.290 nan 0.000 0.458 221 Q N 0.827 120.725 119.800 0.164 0.000 2.316 221 Q HA 0.275 4.615 4.340 0.000 0.000 0.215 221 Q C 2.169 178.209 176.000 0.067 0.000 1.020 221 Q CA -0.693 55.189 55.803 0.132 0.000 0.970 221 Q CB 0.798 29.610 28.738 0.124 0.000 1.187 221 Q HN 0.678 nan 8.270 nan 0.000 0.546 222 M N -0.156 119.474 119.600 0.050 0.000 2.435 222 M HA -0.168 4.312 4.480 0.000 0.000 0.262 222 M C 0.997 177.306 176.300 0.015 0.000 1.065 222 M CA 1.727 57.043 55.300 0.027 0.000 1.076 222 M CB -0.632 31.980 32.600 0.020 0.000 1.403 222 M HN 0.408 nan 8.290 nan 0.000 0.454 223 N N 1.424 120.133 118.700 0.015 0.000 2.244 223 N HA -0.109 4.631 4.740 0.000 0.000 0.183 223 N C 0.082 175.596 175.510 0.007 0.000 1.016 223 N CA 1.017 54.071 53.050 0.006 0.000 0.866 223 N CB -0.810 37.678 38.487 0.000 0.000 0.980 223 N HN 0.588 nan 8.380 nan 0.000 0.430 224 E N 2.180 122.389 120.200 0.015 0.000 2.398 224 E HA 0.152 4.502 4.350 0.000 0.000 0.263 224 E C -2.059 174.545 176.600 0.007 0.000 1.046 224 E CA -1.524 54.885 56.400 0.015 0.000 0.908 224 E CB 0.269 29.985 29.700 0.027 0.000 0.963 224 E HN 0.323 nan 8.360 nan 0.000 0.431 225 P HA 0.049 nan 4.420 nan 0.000 0.274 225 P C -2.102 175.192 177.300 -0.010 0.000 1.256 225 P CA -1.290 61.807 63.100 -0.004 0.000 0.795 225 P CB -0.045 31.654 31.700 -0.003 0.000 1.038 226 P HA -0.249 nan 4.420 nan 0.000 0.216 226 P C 1.708 178.988 177.300 -0.034 0.000 1.167 226 P CA 2.410 65.488 63.100 -0.036 0.000 0.914 226 P CB -0.878 30.798 31.700 -0.040 0.000 0.793 227 G N 0.062 108.851 108.800 -0.019 0.000 2.491 227 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 227 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 227 G C 1.773 176.674 174.900 0.002 0.000 1.180 227 G CA 1.683 46.779 45.100 -0.007 0.000 0.774 227 G HN 0.409 nan 8.290 nan 0.000 0.562 228 A N 0.649 123.473 122.820 0.007 0.000 1.873 228 A HA -0.106 4.214 4.320 0.000 0.000 0.218 228 A C 2.441 180.034 177.584 0.015 0.000 1.193 228 A CA 2.038 54.085 52.037 0.016 0.000 0.629 228 A CB -0.518 18.494 19.000 0.019 0.000 0.826 228 A HN 0.356 nan 8.150 nan 0.000 0.447 229 R N -0.806 119.696 120.500 0.005 0.000 2.120 229 R HA -0.035 4.305 4.340 0.000 0.000 0.234 229 R C 2.227 178.525 176.300 -0.003 0.000 1.123 229 R CA 1.077 57.180 56.100 0.005 0.000 0.975 229 R CB -0.362 29.933 30.300 -0.010 0.000 0.866 229 R HN 0.526 nan 8.270 nan 0.000 0.446 230 A N 0.170 122.964 122.820 -0.044 0.000 2.168 230 A HA -0.043 4.277 4.320 0.000 0.000 0.215 230 A C 1.702 179.290 177.584 0.007 0.000 1.152 230 A CA 0.938 52.911 52.037 -0.105 0.000 0.716 230 A CB 0.051 18.968 19.000 -0.137 0.000 0.794 230 A HN 0.077 nan 8.150 nan 0.000 0.465 231 R N -2.042 118.481 120.500 0.038 0.000 2.276 231 R HA 0.124 4.464 4.340 0.000 0.000 0.195 231 R C 1.845 178.159 176.300 0.022 0.000 0.908 231 R CA 0.914 57.036 56.100 0.037 0.000 1.083 231 R CB -1.121 29.198 30.300 0.030 0.000 1.182 231 R HN 0.316 nan 8.270 nan 0.000 0.608 232 V N 2.058 121.988 119.914 0.027 0.000 2.546 232 V HA -0.246 3.874 4.120 0.000 0.000 0.254 232 V C 2.183 178.266 176.094 -0.018 0.000 1.076 232 V CA 2.152 64.456 62.300 0.006 0.000 1.087 232 V CB -0.461 31.372 31.823 0.016 0.000 0.674 232 V HN 0.329 nan 8.190 nan 0.000 0.470 233 A N -0.377 122.454 122.820 0.019 0.000 1.933 233 A HA -0.127 4.193 4.320 0.000 0.000 0.218 233 A C 2.080 179.611 177.584 -0.089 0.000 1.175 233 A CA 2.023 54.038 52.037 -0.037 0.000 0.628 233 A CB -0.440 18.579 19.000 0.031 0.000 0.814 233 A HN 0.599 nan 8.150 nan 0.000 0.444 234 L N -1.213 119.975 121.223 -0.058 0.000 2.179 234 L HA -0.080 4.260 4.340 0.000 0.000 0.208 234 L C 2.644 179.456 176.870 -0.097 0.000 1.096 234 L CA 1.301 56.078 54.840 -0.105 0.000 0.779 234 L CB -1.220 40.743 42.059 -0.159 0.000 0.922 234 L HN 0.280 nan 8.230 nan 0.000 0.443 235 T N 0.610 115.119 114.554 -0.075 0.000 2.580 235 T HA -0.195 4.155 4.350 0.000 0.000 0.265 235 T C 1.920 176.593 174.700 -0.045 0.000 1.063 235 T CA 1.866 63.935 62.100 -0.052 0.000 1.170 235 T CB -0.747 68.101 68.868 -0.033 0.000 0.863 235 T HN 0.551 nan 8.240 nan 0.000 0.418 236 G N 1.199 109.962 108.800 -0.061 0.000 2.475 236 G HA2 -0.190 3.770 3.960 0.000 0.000 0.220 236 G HA3 -0.190 3.770 3.960 0.000 0.000 0.220 236 G C 1.547 176.419 174.900 -0.046 0.000 1.125 236 G CA 1.104 46.167 45.100 -0.062 0.000 0.755 236 G HN 0.442 nan 8.290 nan 0.000 0.565 237 L N 0.845 122.029 121.223 -0.065 0.000 2.072 237 L HA 0.055 4.395 4.340 0.000 0.000 0.205 237 L C 2.794 179.660 176.870 -0.007 0.000 1.079 237 L CA 2.604 57.411 54.840 -0.056 0.000 0.752 237 L CB -0.898 41.104 42.059 -0.095 0.000 0.906 237 L HN 0.152 nan 8.230 nan 0.000 0.436 238 T N -0.256 114.294 114.554 -0.006 0.000 2.867 238 T HA -0.083 4.267 4.350 0.000 0.000 0.268 238 T C 2.002 176.744 174.700 0.070 0.000 1.057 238 T CA 1.762 63.878 62.100 0.026 0.000 1.136 238 T CB -0.354 68.516 68.868 0.004 0.000 0.874 238 T HN 0.299 nan 8.240 nan 0.000 0.466 239 I N 1.499 122.106 120.570 0.061 0.000 2.179 239 I HA -0.190 3.980 4.170 0.000 0.000 0.242 239 I C 2.820 179.089 176.117 0.253 0.000 1.088 239 I CA 1.294 62.663 61.300 0.114 0.000 1.357 239 I CB -0.329 37.725 38.000 0.090 0.000 1.051 239 I HN 0.207 nan 8.210 nan 0.000 0.409 240 A N -0.394 122.542 122.820 0.194 0.000 2.066 240 A HA -0.163 4.157 4.320 0.000 0.000 0.218 240 A C 2.130 179.856 177.584 0.235 0.000 1.157 240 A CA 1.145 53.322 52.037 0.234 0.000 0.670 240 A CB -0.492 18.553 19.000 0.076 0.000 0.804 240 A HN 0.425 nan 8.150 nan 0.000 0.453 241 E N -1.639 118.660 120.200 0.165 0.000 2.150 241 E HA -0.187 4.163 4.350 0.000 0.000 0.193 241 E C 1.563 178.248 176.600 0.142 0.000 0.985 241 E CA 1.052 57.526 56.400 0.122 0.000 0.814 241 E CB -0.225 29.526 29.700 0.084 0.000 0.752 241 E HN 0.767 nan 8.360 nan 0.000 0.466 242 Y N -0.004 120.308 120.300 0.019 0.000 2.114 242 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 242 Y C 1.744 177.571 175.900 -0.121 0.000 1.143 242 Y CA 1.633 59.670 58.100 -0.105 0.000 1.135 242 Y CB -0.322 37.993 38.460 -0.243 0.000 0.980 242 Y HN 0.023 nan 8.280 nan 0.000 0.499 243 F N -0.333 119.703 119.950 0.143 0.000 2.307 243 F HA -0.202 4.325 4.527 0.000 0.000 0.301 243 F C 2.571 178.379 175.800 0.013 0.000 1.076 243 F CA 1.672 59.715 58.000 0.071 0.000 1.383 243 F CB -0.435 38.612 39.000 0.078 0.000 1.055 243 F HN -0.017 nan 8.300 nan 0.000 0.526 244 R N 0.618 121.209 120.500 0.152 0.000 2.052 244 R HA -0.101 4.239 4.340 0.000 0.000 0.226 244 R C 1.674 177.963 176.300 -0.017 0.000 1.145 244 R CA 1.776 57.914 56.100 0.063 0.000 0.952 244 R CB -0.330 30.000 30.300 0.051 0.000 0.847 244 R HN 0.076 nan 8.270 nan 0.000 0.431 245 D N 0.266 120.621 120.400 -0.075 0.000 2.224 245 D HA -0.101 4.539 4.640 0.000 0.000 0.205 245 D C 1.274 177.448 176.300 -0.210 0.000 0.965 245 D CA 1.004 54.924 54.000 -0.134 0.000 0.852 245 D CB 0.172 40.880 40.800 -0.152 0.000 0.947 245 D HN 0.315 nan 8.370 nan 0.000 0.494 246 E N -0.137 119.880 120.200 -0.305 0.000 2.453 246 E HA 0.050 4.400 4.350 0.000 0.000 0.211 246 E C 1.358 177.849 176.600 -0.182 0.000 0.897 246 E CA 0.243 56.438 56.400 -0.343 0.000 1.063 246 E CB 0.531 29.808 29.700 -0.704 0.000 1.080 246 E HN 0.316 nan 8.360 nan 0.000 0.512 247 E N 0.088 120.227 120.200 -0.103 0.000 2.473 247 E HA 0.140 4.490 4.350 0.000 0.000 0.204 247 E C 0.874 177.487 176.600 0.022 0.000 0.994 247 E CA 0.481 56.879 56.400 -0.003 0.000 0.945 247 E CB 0.785 30.546 29.700 0.100 0.000 0.990 247 E HN 0.203 nan 8.360 nan 0.000 0.493 248 G N 3.329 112.132 108.800 0.004 0.000 2.341 248 G HA2 -0.322 3.638 3.960 0.000 0.000 0.292 248 G HA3 -0.322 3.638 3.960 0.000 0.000 0.292 248 G C 0.123 175.048 174.900 0.041 0.000 1.021 248 G CA 1.310 46.417 45.100 0.012 0.000 0.905 248 G HN 0.431 nan 8.290 nan 0.000 0.508 249 Q N -0.872 118.973 119.800 0.076 0.000 2.445 249 Q HA 0.638 4.978 4.340 0.000 0.000 0.281 249 Q C -1.032 175.030 176.000 0.104 0.000 1.101 249 Q CA -1.161 54.700 55.803 0.097 0.000 0.833 249 Q CB 1.718 30.537 28.738 0.135 0.000 1.416 249 Q HN 0.144 nan 8.270 nan 0.000 0.451 250 D N 1.979 122.449 120.400 0.117 0.000 2.422 250 D HA 0.201 4.841 4.640 0.000 0.000 0.227 250 D C -0.310 176.087 176.300 0.161 0.000 1.190 250 D CA -0.100 53.978 54.000 0.130 0.000 0.905 250 D CB 0.924 41.800 40.800 0.126 0.000 1.034 250 D HN 0.302 nan 8.370 nan 0.000 0.507 251 V N 2.327 122.286 119.914 0.076 0.000 2.607 251 V HA 0.265 4.385 4.120 0.000 0.000 0.289 251 V C 0.658 176.708 176.094 -0.073 0.000 1.053 251 V CA -0.823 61.470 62.300 -0.010 0.000 0.996 251 V CB 1.221 33.062 31.823 0.030 0.000 0.995 251 V HN 0.305 nan 8.190 nan 0.000 0.476 252 L N 4.860 125.979 121.223 -0.173 0.000 2.282 252 L HA 0.518 4.858 4.340 0.000 0.000 0.288 252 L C -0.574 176.178 176.870 -0.196 0.000 1.033 252 L CA -0.475 54.227 54.840 -0.230 0.000 0.807 252 L CB 1.432 43.338 42.059 -0.255 0.000 1.209 252 L HN 0.468 nan 8.230 nan 0.000 0.423 253 L N 4.428 125.483 121.223 -0.280 0.000 2.324 253 L HA 0.491 4.831 4.340 0.000 0.000 0.274 253 L C -0.980 175.705 176.870 -0.308 0.000 1.012 253 L CA 0.018 54.739 54.840 -0.199 0.000 0.859 253 L CB 0.487 42.454 42.059 -0.153 0.000 1.224 253 L HN 0.195 nan 8.230 nan 0.000 0.429 254 F N 5.722 125.598 119.950 -0.124 0.000 2.445 254 F HA 0.463 4.990 4.527 0.000 0.000 0.359 254 F C 0.374 175.906 175.800 -0.445 0.000 1.101 254 F CA -0.064 57.828 58.000 -0.179 0.000 1.177 254 F CB 0.631 39.650 39.000 0.031 0.000 1.110 254 F HN 0.262 nan 8.300 nan 0.000 0.522 255 I N 3.206 123.639 120.570 -0.228 0.000 2.433 255 I HA 0.377 4.547 4.170 0.000 0.000 0.292 255 I C -0.976 174.999 176.117 -0.236 0.000 1.001 255 I CA -0.588 60.526 61.300 -0.309 0.000 1.119 255 I CB 1.856 39.709 38.000 -0.245 0.000 1.289 255 I HN 0.401 nan 8.210 nan 0.000 0.438 256 D N 5.222 125.462 120.400 -0.267 0.000 2.470 256 D HA 0.233 4.873 4.640 0.000 0.000 0.233 256 D C -1.650 174.629 176.300 -0.034 0.000 1.372 256 D CA -0.286 53.662 54.000 -0.086 0.000 0.994 256 D CB 1.337 42.145 40.800 0.013 0.000 1.377 256 D HN 0.445 nan 8.370 nan 0.000 0.586 257 N N 3.721 122.439 118.700 0.031 0.000 2.258 257 N HA 0.200 4.940 4.740 0.000 0.000 0.299 257 N C 0.838 176.401 175.510 0.089 0.000 1.047 257 N CA -0.532 52.560 53.050 0.069 0.000 0.814 257 N CB 1.920 40.499 38.487 0.153 0.000 1.413 257 N HN 0.330 nan 8.380 nan 0.000 0.478 258 I N 3.740 124.339 120.570 0.049 0.000 2.361 258 I HA -0.123 4.047 4.170 0.000 0.000 0.251 258 I C 1.776 178.004 176.117 0.184 0.000 1.133 258 I CA 1.180 62.505 61.300 0.041 0.000 1.413 258 I CB -0.467 37.488 38.000 -0.076 0.000 1.073 258 I HN 0.641 nan 8.210 nan 0.000 0.424 259 F N 1.819 121.822 119.950 0.088 0.000 2.126 259 F HA -0.250 4.277 4.527 0.000 0.000 0.299 259 F C 2.324 178.216 175.800 0.152 0.000 1.096 259 F CA 1.660 59.751 58.000 0.150 0.000 1.255 259 F CB -0.408 38.713 39.000 0.203 0.000 0.997 259 F HN -0.004 nan 8.300 nan 0.000 0.479 260 R N -0.122 120.392 120.500 0.024 0.000 2.189 260 R HA -0.168 4.172 4.340 0.000 0.000 0.223 260 R C 2.179 178.434 176.300 -0.074 0.000 1.092 260 R CA 1.271 57.305 56.100 -0.110 0.000 0.989 260 R CB -1.677 28.652 30.300 0.047 0.000 0.876 260 R HN 0.476 nan 8.270 nan 0.000 0.457 261 F N 2.224 122.105 119.950 -0.115 0.000 2.075 261 F HA -0.209 4.318 4.527 0.000 0.000 0.297 261 F C 1.944 177.680 175.800 -0.106 0.000 1.113 261 F CA 1.888 59.830 58.000 -0.096 0.000 1.218 261 F CB -0.398 38.553 39.000 -0.081 0.000 0.984 261 F HN -0.103 nan 8.300 nan 0.000 0.472 262 T N 0.091 114.592 114.554 -0.087 0.000 2.777 262 T HA -0.233 4.117 4.350 0.000 0.000 0.266 262 T C 1.874 176.461 174.700 -0.189 0.000 1.040 262 T CA 1.510 63.527 62.100 -0.139 0.000 1.141 262 T CB -0.445 68.437 68.868 0.024 0.000 0.868 262 T HN 0.438 nan 8.240 nan 0.000 0.444 263 Q N 0.758 120.349 119.800 -0.349 0.000 2.020 263 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 263 Q C 2.548 178.401 176.000 -0.244 0.000 0.982 263 Q CA 1.604 57.181 55.803 -0.376 0.000 0.838 263 Q CB -0.321 28.059 28.738 -0.597 0.000 0.899 263 Q HN 0.542 nan 8.270 nan 0.000 0.423 264 A N 0.269 122.951 122.820 -0.230 0.000 1.930 264 A HA -0.085 4.235 4.320 0.000 0.000 0.217 264 A C 2.230 179.694 177.584 -0.200 0.000 1.175 264 A CA 1.502 53.431 52.037 -0.180 0.000 0.627 264 A CB -1.238 17.673 19.000 -0.148 0.000 0.815 264 A HN 0.616 nan 8.150 nan 0.000 0.443 265 G N -0.650 107.974 108.800 -0.294 0.000 2.476 265 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 265 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 265 G C 1.943 176.752 174.900 -0.151 0.000 1.164 265 G CA 1.560 46.490 45.100 -0.282 0.000 0.768 265 G HN 0.556 nan 8.290 nan 0.000 0.560 266 S N 0.192 115.822 115.700 -0.116 0.000 2.370 266 S HA -0.135 4.335 4.470 0.000 0.000 0.226 266 S C 2.238 176.778 174.600 -0.100 0.000 1.033 266 S CA 1.857 60.006 58.200 -0.084 0.000 1.011 266 S CB -0.342 62.777 63.200 -0.135 0.000 0.852 266 S HN 0.575 nan 8.310 nan 0.000 0.457 267 E N 0.091 120.222 120.200 -0.115 0.000 2.204 267 E HA -0.102 4.248 4.350 0.000 0.000 0.195 267 E C 2.104 178.663 176.600 -0.069 0.000 0.990 267 E CA 1.433 57.779 56.400 -0.091 0.000 0.821 267 E CB -0.113 29.534 29.700 -0.090 0.000 0.750 267 E HN 0.680 nan 8.360 nan 0.000 0.477 268 V N -1.955 117.915 119.914 -0.072 0.000 2.599 268 V HA -0.075 4.045 4.120 0.000 0.000 0.245 268 V C 2.073 178.144 176.094 -0.039 0.000 1.046 268 V CA 1.237 63.507 62.300 -0.051 0.000 1.065 268 V CB 0.043 31.836 31.823 -0.050 0.000 0.703 268 V HN 0.036 nan 8.190 nan 0.000 0.464 269 S N 2.112 117.787 115.700 -0.042 0.000 2.383 269 S HA -0.088 4.382 4.470 0.000 0.000 0.229 269 S C 2.268 176.856 174.600 -0.021 0.000 1.030 269 S CA 1.690 59.875 58.200 -0.026 0.000 1.002 269 S CB -0.812 62.376 63.200 -0.019 0.000 0.829 269 S HN 0.992 nan 8.310 nan 0.000 0.467 270 A N 1.898 124.700 122.820 -0.029 0.000 1.877 270 A HA 0.049 4.369 4.320 0.000 0.000 0.216 270 A C 2.159 179.731 177.584 -0.020 0.000 1.186 270 A CA 1.200 53.221 52.037 -0.026 0.000 0.620 270 A CB -0.761 18.215 19.000 -0.039 0.000 0.822 270 A HN 0.465 nan 8.150 nan 0.000 0.443 271 L N -0.882 120.327 121.223 -0.023 0.000 2.291 271 L HA -0.020 4.320 4.340 0.000 0.000 0.214 271 L C 2.169 179.033 176.870 -0.010 0.000 1.120 271 L CA 0.434 55.264 54.840 -0.016 0.000 0.799 271 L CB -0.361 41.687 42.059 -0.018 0.000 0.925 271 L HN 0.339 nan 8.230 nan 0.000 0.446 272 L N -0.237 120.981 121.223 -0.010 0.000 2.478 272 L HA 0.031 4.371 4.340 0.000 0.000 0.223 272 L C 1.372 178.242 176.870 0.000 0.000 1.140 272 L CA 0.782 55.620 54.840 -0.003 0.000 0.842 272 L CB -0.299 41.758 42.059 -0.003 0.000 0.953 272 L HN 0.469 nan 8.230 nan 0.000 0.452 273 G N 0.055 108.853 108.800 -0.003 0.000 2.140 273 G HA2 -0.246 3.714 3.960 0.000 0.000 0.211 273 G HA3 -0.246 3.714 3.960 0.000 0.000 0.211 273 G C 0.094 174.995 174.900 0.001 0.000 1.013 273 G CA -0.430 44.669 45.100 -0.000 0.000 0.705 273 G HN 0.205 nan 8.290 nan 0.000 0.508 274 R N -0.477 120.023 120.500 -0.000 0.000 2.539 274 R HA 0.594 4.934 4.340 0.000 0.000 0.275 274 R C 1.135 177.437 176.300 0.004 0.000 1.077 274 R CA -0.416 55.685 56.100 0.003 0.000 1.097 274 R CB 0.441 30.742 30.300 0.003 0.000 1.018 274 R HN 0.327 nan 8.270 nan 0.000 0.483 275 I N 4.877 125.452 120.570 0.008 0.000 2.517 275 I HA 0.093 4.263 4.170 0.000 0.000 0.285 275 I C -1.762 174.364 176.117 0.015 0.000 1.106 275 I CA -1.524 59.782 61.300 0.010 0.000 1.402 275 I CB 0.518 38.525 38.000 0.012 0.000 1.399 275 I HN 0.328 nan 8.210 nan 0.000 0.535 276 P HA 0.096 nan 4.420 nan 0.000 0.271 276 P C -0.205 177.118 177.300 0.037 0.000 1.216 276 P CA -0.109 63.003 63.100 0.020 0.000 0.776 276 P CB 0.988 32.692 31.700 0.006 0.000 0.881 277 S N 1.861 117.598 115.700 0.062 0.000 2.566 277 S HA 0.625 5.096 4.470 0.000 0.000 0.277 277 S C -0.080 174.578 174.600 0.097 0.000 1.150 277 S CA -0.427 57.819 58.200 0.077 0.000 1.032 277 S CB -0.027 63.227 63.200 0.090 0.000 1.157 277 S HN 0.512 nan 8.310 nan 0.000 0.507 278 A N 0.397 123.281 122.820 0.105 0.000 2.567 278 A HA 0.364 4.684 4.320 0.000 0.000 0.240 278 A C 1.053 178.759 177.584 0.204 0.000 1.053 278 A CA 0.427 52.535 52.037 0.118 0.000 0.755 278 A CB -0.900 18.157 19.000 0.094 0.000 0.978 278 A HN 1.622 nan 8.150 nan 0.000 0.507 279 V N 1.493 121.504 119.914 0.161 0.000 3.191 279 V HA -0.332 3.788 4.120 0.000 0.000 0.181 279 V C 1.836 177.964 176.094 0.056 0.000 0.444 279 V CA 1.765 64.167 62.300 0.170 0.000 1.114 279 V CB -2.412 29.602 31.823 0.318 0.000 1.275 279 V HN 2.925 nan 8.190 nan 0.000 1.153 280 G N -2.615 106.214 108.800 0.048 0.000 2.159 280 G HA2 -0.344 3.616 3.960 0.000 0.000 0.256 280 G HA3 -0.344 3.616 3.960 0.000 0.000 0.256 280 G C -0.126 174.719 174.900 -0.091 0.000 0.977 280 G CA 0.379 45.453 45.100 -0.043 0.000 0.652 280 G HN 0.871 nan 8.290 nan 0.000 0.531 281 Y N 1.684 121.990 120.300 0.011 0.000 2.357 281 Y HA 0.371 4.921 4.550 0.000 0.000 0.340 281 Y C 1.484 177.377 175.900 -0.012 0.000 1.260 281 Y CA 0.034 58.131 58.100 -0.005 0.000 1.425 281 Y CB 0.464 38.929 38.460 0.009 0.000 1.326 281 Y HN 0.423 nan 8.280 nan 0.000 0.580 282 Q N 3.646 123.533 119.800 0.145 0.000 2.369 282 Q HA -0.034 4.306 4.340 0.000 0.000 0.295 282 Q C -2.231 173.816 176.000 0.077 0.000 1.075 282 Q CA -1.166 54.679 55.803 0.070 0.000 0.941 282 Q CB 0.378 29.133 28.738 0.028 0.000 1.260 282 Q HN 0.424 nan 8.270 nan 0.000 0.417 283 P HA -0.085 nan 4.420 nan 0.000 0.230 283 P C 0.713 178.033 177.300 0.034 0.000 1.158 283 P CA 1.299 64.424 63.100 0.041 0.000 0.769 283 P CB -0.061 31.656 31.700 0.029 0.000 0.807 284 T N -3.932 110.639 114.554 0.030 0.000 3.206 284 T HA 0.173 4.523 4.350 0.000 0.000 0.253 284 T C 1.550 176.270 174.700 0.034 0.000 1.042 284 T CA -0.366 61.750 62.100 0.027 0.000 0.931 284 T CB -0.786 68.092 68.868 0.017 0.000 1.029 284 T HN -0.056 nan 8.240 nan 0.000 0.564 285 L N 1.097 122.340 121.223 0.035 0.000 1.965 285 L HA -0.239 4.101 4.340 0.000 0.000 0.226 285 L C 2.943 179.846 176.870 0.056 0.000 1.083 285 L CA 2.247 57.105 54.840 0.030 0.000 0.790 285 L CB -0.801 41.253 42.059 -0.008 0.000 0.898 285 L HN 0.458 nan 8.230 nan 0.000 0.439 286 A N -1.288 121.567 122.820 0.058 0.000 2.019 286 A HA -0.190 4.130 4.320 0.000 0.000 0.219 286 A C 2.118 179.769 177.584 0.111 0.000 1.164 286 A CA 2.062 54.155 52.037 0.094 0.000 0.644 286 A CB -0.776 18.271 19.000 0.079 0.000 0.805 286 A HN 0.681 nan 8.150 nan 0.000 0.449 287 T N -3.548 111.056 114.554 0.084 0.000 3.051 287 T HA 0.006 4.356 4.350 0.000 0.000 0.255 287 T C 1.197 175.952 174.700 0.092 0.000 1.085 287 T CA 0.819 62.968 62.100 0.081 0.000 1.109 287 T CB -0.122 68.781 68.868 0.058 0.000 0.921 287 T HN 0.267 nan 8.240 nan 0.000 0.488 288 D N 1.406 121.868 120.400 0.102 0.000 2.084 288 D HA -0.009 4.631 4.640 0.000 0.000 0.194 288 D C 1.906 178.364 176.300 0.263 0.000 0.990 288 D CA 1.100 55.197 54.000 0.162 0.000 0.826 288 D CB -0.334 40.516 40.800 0.084 0.000 0.971 288 D HN 0.333 nan 8.370 nan 0.000 0.453 289 M N 0.563 120.287 119.600 0.207 0.000 2.229 289 M HA -0.033 4.447 4.480 0.000 0.000 0.264 289 M C 1.960 178.167 176.300 -0.156 0.000 1.063 289 M CA 1.618 56.923 55.300 0.010 0.000 1.114 289 M CB -0.202 32.351 32.600 -0.077 0.000 1.387 289 M HN 0.032 nan 8.290 nan 0.000 0.420 290 G N 0.759 109.563 108.800 0.006 0.000 2.553 290 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 290 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 290 G C 1.321 176.241 174.900 0.034 0.000 1.195 290 G CA 1.402 46.551 45.100 0.083 0.000 0.779 290 G HN 0.480 nan 8.290 nan 0.000 0.577 291 L N -0.279 120.971 121.223 0.045 0.000 2.141 291 L HA 0.040 4.380 4.340 0.000 0.000 0.209 291 L C 2.612 179.477 176.870 -0.008 0.000 1.094 291 L CA 0.386 55.251 54.840 0.042 0.000 0.763 291 L CB -0.301 41.807 42.059 0.081 0.000 0.908 291 L HN 0.279 nan 8.230 nan 0.000 0.437 292 L N -0.909 120.270 121.223 -0.073 0.000 2.022 292 L HA -0.135 4.205 4.340 0.000 0.000 0.204 292 L C 2.566 179.309 176.870 -0.211 0.000 1.076 292 L CA 1.696 56.413 54.840 -0.205 0.000 0.749 292 L CB -0.712 41.051 42.059 -0.493 0.000 0.903 292 L HN 0.151 nan 8.230 nan 0.000 0.439 293 Q N 0.040 119.678 119.800 -0.270 0.000 2.135 293 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 293 Q C 2.012 177.976 176.000 -0.059 0.000 0.981 293 Q CA 1.443 57.111 55.803 -0.224 0.000 0.856 293 Q CB -0.393 28.085 28.738 -0.433 0.000 0.902 293 Q HN 0.630 nan 8.270 nan 0.000 0.425 294 E N 0.386 120.583 120.200 -0.006 0.000 2.478 294 E HA -0.076 4.274 4.350 0.000 0.000 0.198 294 E C 1.755 178.365 176.600 0.017 0.000 1.046 294 E CA 0.263 56.691 56.400 0.047 0.000 0.870 294 E CB 0.111 29.856 29.700 0.075 0.000 0.818 294 E HN 0.314 nan 8.360 nan 0.000 0.527 295 R N 0.041 120.532 120.500 -0.016 0.000 2.112 295 R HA 0.153 4.493 4.340 0.000 0.000 0.216 295 R C 0.983 177.268 176.300 -0.026 0.000 1.080 295 R CA 0.208 56.297 56.100 -0.017 0.000 0.996 295 R CB 0.136 30.418 30.300 -0.031 0.000 0.902 295 R HN 0.040 nan 8.270 nan 0.000 0.449 296 I N 1.997 122.537 120.570 -0.049 0.000 2.460 296 I HA 0.010 4.180 4.170 0.000 0.000 0.297 296 I C 0.227 176.328 176.117 -0.028 0.000 1.139 296 I CA 0.484 61.752 61.300 -0.054 0.000 1.340 296 I CB 0.279 38.223 38.000 -0.093 0.000 1.444 296 I HN 0.027 nan 8.210 nan 0.000 0.557 297 T N 2.791 117.335 114.554 -0.016 0.000 2.749 297 T HA 0.244 4.594 4.350 0.000 0.000 0.310 297 T C -0.595 174.104 174.700 -0.003 0.000 1.496 297 T CA -0.520 61.578 62.100 -0.004 0.000 1.006 297 T CB 1.750 70.624 68.868 0.010 0.000 1.457 297 T HN 0.308 nan 8.240 nan 0.000 0.497 298 T N 2.988 117.542 114.554 -0.001 0.000 2.782 298 T HA 0.449 4.799 4.350 0.000 0.000 0.298 298 T C 0.441 175.136 174.700 -0.008 0.000 0.944 298 T CA 0.080 62.179 62.100 -0.002 0.000 1.001 298 T CB 0.555 69.422 68.868 -0.002 0.000 0.932 298 T HN 0.645 nan 8.240 nan 0.000 0.524 299 T N 2.305 116.854 114.554 -0.008 0.000 2.914 299 T HA 0.456 4.806 4.350 0.000 0.000 0.313 299 T C 2.000 176.688 174.700 -0.020 0.000 1.137 299 T CA 0.230 62.321 62.100 -0.014 0.000 0.946 299 T CB 0.238 69.098 68.868 -0.012 0.000 1.558 299 T HN 0.561 nan 8.240 nan 0.000 0.565 300 K N 0.059 120.445 120.400 -0.024 0.000 2.116 300 K HA 0.077 4.397 4.320 0.000 0.000 0.203 300 K C 2.089 178.675 176.600 -0.023 0.000 1.052 300 K CA 1.655 57.926 56.287 -0.027 0.000 0.952 300 K CB -0.560 31.922 32.500 -0.030 0.000 0.729 300 K HN 0.683 nan 8.250 nan 0.000 0.446 301 K N -1.364 119.023 120.400 -0.023 0.000 2.121 301 K HA 0.260 4.580 4.320 0.000 0.000 0.203 301 K C 1.247 177.840 176.600 -0.010 0.000 1.041 301 K CA 0.743 57.016 56.287 -0.022 0.000 0.969 301 K CB 0.535 33.014 32.500 -0.036 0.000 0.799 301 K HN 0.399 nan 8.250 nan 0.000 0.456 302 G N -0.277 108.521 108.800 -0.004 0.000 2.684 302 G HA2 0.384 4.344 3.960 0.000 0.000 0.290 302 G HA3 0.384 4.344 3.960 0.000 0.000 0.290 302 G C -1.572 173.339 174.900 0.018 0.000 1.425 302 G CA -0.595 44.514 45.100 0.014 0.000 0.822 302 G HN -0.030 nan 8.290 nan 0.000 0.482 303 S N -1.175 114.543 115.700 0.030 0.000 2.541 303 S HA 0.638 5.108 4.470 0.000 0.000 0.283 303 S C -0.524 174.095 174.600 0.031 0.000 1.196 303 S CA -0.491 57.725 58.200 0.026 0.000 1.062 303 S CB 1.274 64.491 63.200 0.030 0.000 1.009 303 S HN 0.700 nan 8.310 nan 0.000 0.502 304 V N 4.987 124.908 119.914 0.012 0.000 2.407 304 V HA 0.436 4.556 4.120 0.000 0.000 0.291 304 V C -0.212 175.864 176.094 -0.029 0.000 1.018 304 V CA -0.561 61.737 62.300 -0.004 0.000 0.842 304 V CB 1.598 33.415 31.823 -0.009 0.000 0.996 304 V HN 1.000 nan 8.190 nan 0.000 0.426 305 T N 3.453 117.980 114.554 -0.046 0.000 2.823 305 T HA 0.568 4.918 4.350 0.000 0.000 0.279 305 T C -0.039 174.564 174.700 -0.160 0.000 0.998 305 T CA -0.485 61.569 62.100 -0.076 0.000 0.994 305 T CB 1.556 70.401 68.868 -0.037 0.000 0.960 305 T HN 0.765 nan 8.240 nan 0.000 0.448 306 S N 1.767 117.354 115.700 -0.187 0.000 2.500 306 S HA 0.684 5.155 4.470 0.000 0.000 0.301 306 S C -0.751 173.668 174.600 -0.302 0.000 1.092 306 S CA -0.707 57.330 58.200 -0.271 0.000 1.030 306 S CB 1.223 64.290 63.200 -0.221 0.000 1.031 306 S HN 0.424 nan 8.310 nan 0.000 0.483 307 V N 4.270 123.931 119.914 -0.421 0.000 2.347 307 V HA 0.437 4.558 4.120 0.000 0.000 0.280 307 V C -0.303 175.686 176.094 -0.175 0.000 1.021 307 V CA -0.465 61.666 62.300 -0.281 0.000 0.847 307 V CB 1.090 32.778 31.823 -0.224 0.000 0.990 307 V HN 0.930 nan 8.190 nan 0.000 0.444 308 Q N 3.432 123.121 119.800 -0.184 0.000 2.333 308 Q HA 0.706 5.046 4.340 0.000 0.000 0.265 308 Q C -0.256 175.631 176.000 -0.190 0.000 0.989 308 Q CA -0.560 55.130 55.803 -0.189 0.000 0.842 308 Q CB 2.507 31.100 28.738 -0.243 0.000 1.262 308 Q HN 0.832 nan 8.270 nan 0.000 0.451 309 A N 2.453 125.210 122.820 -0.106 0.000 2.363 309 A HA 0.518 4.838 4.320 0.000 0.000 0.270 309 A C -0.260 177.244 177.584 -0.132 0.000 1.121 309 A CA -0.382 51.602 52.037 -0.089 0.000 0.800 309 A CB 0.576 19.591 19.000 0.026 0.000 1.052 309 A HN 0.503 nan 8.150 nan 0.000 0.493 310 V N 3.266 123.053 119.914 -0.211 0.000 2.409 310 V HA 0.189 4.309 4.120 0.000 0.000 0.290 310 V C -0.792 175.281 176.094 -0.035 0.000 1.017 310 V CA -0.501 61.680 62.300 -0.199 0.000 0.841 310 V CB 0.897 32.335 31.823 -0.642 0.000 1.003 310 V HN 0.799 nan 8.190 nan 0.000 0.426 311 Y N 4.829 125.074 120.300 -0.092 0.000 2.402 311 Y HA 0.467 5.017 4.550 0.000 0.000 0.333 311 Y C 0.077 175.805 175.900 -0.286 0.000 1.076 311 Y CA -0.120 57.834 58.100 -0.243 0.000 1.299 311 Y CB 1.277 39.449 38.460 -0.480 0.000 1.197 311 Y HN 0.441 nan 8.280 nan 0.000 0.517 312 V N 9.473 128.981 119.914 -0.676 0.000 2.318 312 V HA 0.270 4.390 4.120 0.000 0.000 0.271 312 V C -2.256 173.441 176.094 -0.663 0.000 1.030 312 V CA -2.197 59.844 62.300 -0.432 0.000 0.844 312 V CB 0.787 32.502 31.823 -0.178 0.000 1.015 312 V HN 0.725 nan 8.190 nan 0.000 0.460 313 P HA 0.149 nan 4.420 nan 0.000 0.261 313 P C 0.589 177.828 177.300 -0.101 0.000 1.203 313 P CA 0.689 63.683 63.100 -0.177 0.000 0.767 313 P CB 0.532 32.300 31.700 0.113 0.000 0.785 314 A N 4.232 126.991 122.820 -0.101 0.000 2.745 314 A HA -0.259 4.061 4.320 0.000 0.000 0.296 314 A C 0.993 178.538 177.584 -0.066 0.000 1.500 314 A CA 1.187 53.196 52.037 -0.047 0.000 0.766 314 A CB -2.639 16.368 19.000 0.012 0.000 1.030 314 A HN 0.648 nan 8.150 nan 0.000 0.489 315 D N -2.109 118.214 120.400 -0.129 0.000 3.006 315 D HA -0.203 4.437 4.640 0.000 0.000 0.208 315 D C -0.121 176.145 176.300 -0.057 0.000 1.116 315 D CA 2.224 56.166 54.000 -0.096 0.000 0.998 315 D CB -0.858 39.908 40.800 -0.056 0.000 1.124 315 D HN 1.003 nan 8.370 nan 0.000 0.413 316 D N 0.036 120.411 120.400 -0.042 0.000 2.393 316 D HA 0.209 4.849 4.640 0.000 0.000 0.232 316 D C 1.116 177.430 176.300 0.023 0.000 1.192 316 D CA -0.150 53.849 54.000 -0.002 0.000 0.882 316 D CB 0.345 41.158 40.800 0.021 0.000 1.038 316 D HN 0.177 nan 8.370 nan 0.000 0.499 317 L N 2.728 123.965 121.223 0.023 0.000 2.551 317 L HA -0.007 4.333 4.340 0.000 0.000 0.228 317 L C 2.068 178.977 176.870 0.065 0.000 1.153 317 L CA 1.012 55.890 54.840 0.064 0.000 0.851 317 L CB -0.246 41.829 42.059 0.027 0.000 0.959 317 L HN 0.524 nan 8.230 nan 0.000 0.451 318 T N -5.547 109.030 114.554 0.038 0.000 3.069 318 T HA 0.024 4.374 4.350 0.000 0.000 0.252 318 T C 0.548 175.283 174.700 0.058 0.000 1.053 318 T CA -0.487 61.631 62.100 0.031 0.000 0.964 318 T CB -0.251 68.621 68.868 0.007 0.000 1.005 318 T HN 0.120 nan 8.240 nan 0.000 0.532 319 D N 2.683 123.135 120.400 0.087 0.000 2.478 319 D HA 0.080 4.720 4.640 0.000 0.000 0.234 319 D C -1.352 174.988 176.300 0.068 0.000 1.154 319 D CA -1.287 52.786 54.000 0.122 0.000 0.874 319 D CB 1.061 41.969 40.800 0.180 0.000 1.198 319 D HN -0.001 nan 8.370 nan 0.000 0.455 320 P HA -0.157 nan 4.420 nan 0.000 0.216 320 P C 0.718 177.874 177.300 -0.241 0.000 1.150 320 P CA 1.726 64.715 63.100 -0.186 0.000 0.837 320 P CB 0.020 31.489 31.700 -0.384 0.000 0.786 321 A N 0.694 123.337 122.820 -0.295 0.000 1.841 321 A HA -0.133 4.187 4.320 0.000 0.000 0.216 321 A C -0.058 177.609 177.584 0.138 0.000 1.199 321 A CA 2.349 54.347 52.037 -0.064 0.000 0.621 321 A CB -2.328 16.835 19.000 0.272 0.000 0.835 321 A HN 0.225 nan 8.150 nan 0.000 0.445 322 P HA 0.005 nan 4.420 nan 0.000 0.229 322 P C 1.222 178.720 177.300 0.330 0.000 1.160 322 P CA 1.569 64.838 63.100 0.282 0.000 0.777 322 P CB -0.036 31.847 31.700 0.305 0.000 0.814 323 A N -0.164 122.802 122.820 0.244 0.000 2.067 323 A HA -0.019 4.301 4.320 0.000 0.000 0.217 323 A C 2.096 179.799 177.584 0.197 0.000 1.156 323 A CA 1.455 53.635 52.037 0.237 0.000 0.683 323 A CB -1.516 17.555 19.000 0.117 0.000 0.808 323 A HN 0.155 nan 8.150 nan 0.000 0.455 324 T N -0.323 114.318 114.554 0.145 0.000 3.023 324 T HA -0.050 4.300 4.350 0.000 0.000 0.266 324 T C 1.817 176.657 174.700 0.234 0.000 1.093 324 T CA 1.727 63.919 62.100 0.153 0.000 1.129 324 T CB -0.179 68.739 68.868 0.083 0.000 0.899 324 T HN 0.526 nan 8.240 nan 0.000 0.491 325 T N 1.391 116.074 114.554 0.216 0.000 2.894 325 T HA 0.114 4.464 4.350 0.000 0.000 0.258 325 T C 1.503 176.353 174.700 0.249 0.000 1.043 325 T CA 0.359 62.564 62.100 0.175 0.000 1.141 325 T CB -0.449 68.455 68.868 0.061 0.000 0.873 325 T HN 0.201 nan 8.240 nan 0.000 0.449 326 F N 2.239 122.354 119.950 0.276 0.000 2.225 326 F HA -0.115 4.412 4.527 0.000 0.000 0.302 326 F C 2.539 178.412 175.800 0.122 0.000 1.068 326 F CA 0.645 58.782 58.000 0.228 0.000 1.327 326 F CB -0.719 38.329 39.000 0.080 0.000 1.043 326 F HN 0.152 nan 8.300 nan 0.000 0.506 327 A N -0.926 122.071 122.820 0.295 0.000 1.908 327 A HA -0.220 4.100 4.320 0.000 0.000 0.218 327 A C 2.045 179.630 177.584 0.001 0.000 1.181 327 A CA 1.920 54.020 52.037 0.104 0.000 0.627 327 A CB -0.929 18.097 19.000 0.044 0.000 0.818 327 A HN 0.499 nan 8.150 nan 0.000 0.445 328 H N -1.017 118.098 119.070 0.075 0.000 2.544 328 H HA 0.242 4.798 4.556 0.000 0.000 0.269 328 H C 0.382 175.720 175.328 0.016 0.000 0.970 328 H CA 0.062 56.128 56.048 0.029 0.000 1.219 328 H CB -0.037 29.723 29.762 -0.003 0.000 1.421 328 H HN 0.325 nan 8.280 nan 0.000 0.555 329 L N 1.059 122.366 121.223 0.139 0.000 2.464 329 L HA 0.001 4.341 4.340 0.000 0.000 0.264 329 L C 1.046 177.950 176.870 0.058 0.000 1.199 329 L CA 0.199 55.079 54.840 0.066 0.000 0.818 329 L CB 0.668 42.762 42.059 0.060 0.000 1.102 329 L HN 0.132 nan 8.230 nan 0.000 0.473 330 D N 0.090 120.498 120.400 0.012 0.000 2.514 330 D HA 0.201 4.841 4.640 0.000 0.000 0.249 330 D C 0.151 176.460 176.300 0.014 0.000 1.036 330 D CA 0.442 54.450 54.000 0.014 0.000 0.911 330 D CB 1.081 41.879 40.800 -0.003 0.000 1.145 330 D HN 0.539 nan 8.370 nan 0.000 0.495 331 A N 0.953 123.750 122.820 -0.039 0.000 2.414 331 A HA 0.602 4.922 4.320 0.000 0.000 0.306 331 A C -0.477 177.079 177.584 -0.047 0.000 1.054 331 A CA -0.506 51.506 52.037 -0.043 0.000 0.724 331 A CB 1.477 20.408 19.000 -0.115 0.000 1.267 331 A HN -0.022 nan 8.150 nan 0.000 0.418 332 T N 0.169 114.759 114.554 0.059 0.000 2.792 332 T HA 0.775 5.125 4.350 0.000 0.000 0.280 332 T C -0.105 174.678 174.700 0.138 0.000 0.990 332 T CA -0.465 61.727 62.100 0.152 0.000 0.960 332 T CB 1.334 70.359 68.868 0.262 0.000 0.939 332 T HN 0.625 nan 8.240 nan 0.000 0.439 341 E N 1.132 121.295 120.200 -0.062 0.000 2.451 341 E HA 0.449 4.799 4.350 0.000 0.000 0.194 341 E C 1.404 177.984 176.600 -0.033 0.000 1.027 341 E CA 0.609 56.998 56.400 -0.018 0.000 0.914 341 E CB 0.870 30.570 29.700 0.001 0.000 1.054 341 E HN 0.694 nan 8.360 nan 0.000 0.461 342 L N -0.895 120.282 121.223 -0.077 0.000 2.638 342 L HA 0.428 4.768 4.340 0.000 0.000 0.232 342 L C 1.719 178.546 176.870 -0.072 0.000 1.099 342 L CA 0.877 55.678 54.840 -0.064 0.000 0.883 342 L CB -0.454 41.563 42.059 -0.070 0.000 1.136 342 L HN 0.293 nan 8.230 nan 0.000 0.492 343 G N -0.126 108.597 108.800 -0.128 0.000 2.175 343 G HA2 -0.153 3.807 3.960 0.000 0.000 0.244 343 G HA3 -0.153 3.807 3.960 0.000 0.000 0.244 343 G C 0.238 174.994 174.900 -0.241 0.000 0.982 343 G CA 0.092 45.142 45.100 -0.082 0.000 0.641 343 G HN 0.539 nan 8.290 nan 0.000 0.527 344 I N 1.161 121.515 120.570 -0.361 0.000 2.581 344 I HA 0.387 4.557 4.170 0.000 0.000 0.285 344 I C 0.132 175.970 176.117 -0.465 0.000 1.129 344 I CA 0.035 61.171 61.300 -0.273 0.000 1.397 344 I CB -0.803 37.096 38.000 -0.169 0.000 1.399 344 I HN 0.078 nan 8.210 nan 0.000 0.537 345 Y N 5.766 126.101 120.300 0.058 0.000 2.534 345 Y HA 0.472 5.022 4.550 0.000 0.000 0.345 345 Y C -1.678 174.261 175.900 0.066 0.000 1.031 345 Y CA -2.288 55.856 58.100 0.074 0.000 1.022 345 Y CB 0.787 39.282 38.460 0.059 0.000 1.292 345 Y HN 0.483 nan 8.280 nan 0.000 0.459 346 P HA 0.334 nan 4.420 nan 0.000 0.268 346 P C -0.833 176.744 177.300 0.463 0.000 1.204 346 P CA -0.354 63.017 63.100 0.451 0.000 0.768 346 P CB 0.737 32.602 31.700 0.275 0.000 0.842 347 A N 2.756 125.890 122.820 0.522 0.000 2.513 347 A HA 0.353 4.673 4.320 0.000 0.000 0.274 347 A C 0.017 177.697 177.584 0.160 0.000 1.115 347 A CA 0.110 52.257 52.037 0.183 0.000 0.792 347 A CB -0.560 18.547 19.000 0.178 0.000 1.053 347 A HN 0.426 nan 8.150 nan 0.000 0.515 348 V N 3.565 123.541 119.914 0.104 0.000 2.817 348 V HA 0.218 4.338 4.120 0.000 0.000 0.303 348 V C -1.080 175.047 176.094 0.055 0.000 1.151 348 V CA -0.864 61.492 62.300 0.093 0.000 0.929 348 V CB 2.276 34.205 31.823 0.175 0.000 1.030 348 V HN 0.916 nan 8.190 nan 0.000 0.427 349 D N 6.579 127.004 120.400 0.043 0.000 2.339 349 D HA 0.351 4.992 4.640 0.000 0.000 0.241 349 D C -1.545 174.778 176.300 0.038 0.000 1.183 349 D CA -1.776 52.240 54.000 0.027 0.000 0.859 349 D CB 2.170 42.979 40.800 0.016 0.000 1.067 349 D HN 0.290 nan 8.370 nan 0.000 0.484 350 P HA 0.037 nan 4.420 nan 0.000 0.245 350 P C 0.986 178.295 177.300 0.014 0.000 1.212 350 P CA 0.288 63.405 63.100 0.029 0.000 0.774 350 P CB 0.274 31.986 31.700 0.020 0.000 0.999 351 L N -0.939 120.288 121.223 0.007 0.000 2.586 351 L HA 0.253 4.593 4.340 0.000 0.000 0.204 351 L C 2.294 179.159 176.870 -0.007 0.000 1.053 351 L CA 1.310 56.147 54.840 -0.006 0.000 0.856 351 L CB -1.688 40.363 42.059 -0.014 0.000 1.192 351 L HN -0.089 nan 8.230 nan 0.000 0.484 352 D N 0.229 120.625 120.400 -0.007 0.000 2.149 352 D HA -0.023 4.617 4.640 0.000 0.000 0.201 352 D C 1.378 177.685 176.300 0.011 0.000 0.972 352 D CA 1.251 55.242 54.000 -0.016 0.000 0.835 352 D CB 0.075 40.861 40.800 -0.024 0.000 0.966 352 D HN 0.530 nan 8.370 nan 0.000 0.476 353 S N -0.658 115.066 115.700 0.039 0.000 2.598 353 S HA 0.589 5.059 4.470 0.000 0.000 0.256 353 S C 0.571 175.216 174.600 0.076 0.000 1.350 353 S CA 0.395 58.640 58.200 0.076 0.000 0.984 353 S CB 1.048 64.305 63.200 0.095 0.000 0.930 353 S HN 0.655 nan 8.310 nan 0.000 0.577 354 K N -0.422 120.040 120.400 0.102 0.000 3.727 354 K HA 0.689 5.009 4.320 0.000 0.000 0.423 354 K C -0.834 175.834 176.600 0.114 0.000 1.036 354 K CA -0.224 56.123 56.287 0.100 0.000 0.806 354 K CB 0.562 33.108 32.500 0.077 0.000 1.515 354 K HN 0.797 nan 8.250 nan 0.000 0.545 355 S N -1.219 114.546 115.700 0.107 0.000 2.556 355 S HA 0.532 5.002 4.470 0.000 0.000 0.271 355 S C 0.298 174.949 174.600 0.085 0.000 1.135 355 S CA -0.139 58.120 58.200 0.097 0.000 0.858 355 S CB 1.841 65.109 63.200 0.114 0.000 1.114 355 S HN 0.660 nan 8.310 nan 0.000 0.468 356 R N 1.369 121.910 120.500 0.067 0.000 2.241 356 R HA 0.113 4.453 4.340 0.000 0.000 0.224 356 R C 0.765 177.098 176.300 0.055 0.000 1.101 356 R CA 1.182 57.316 56.100 0.056 0.000 0.995 356 R CB -0.261 30.064 30.300 0.042 0.000 0.870 356 R HN 0.559 nan 8.270 nan 0.000 0.463 357 L N 0.651 121.912 121.223 0.063 0.000 2.910 357 L HA 0.217 4.557 4.340 0.000 0.000 0.252 357 L C -0.212 176.702 176.870 0.074 0.000 1.195 357 L CA -0.497 54.376 54.840 0.056 0.000 1.003 357 L CB 0.308 42.396 42.059 0.048 0.000 1.328 357 L HN 0.038 nan 8.230 nan 0.000 0.540 358 L N 1.657 122.944 121.223 0.107 0.000 2.385 358 L HA 0.342 4.682 4.340 0.000 0.000 0.285 358 L C -0.587 176.395 176.870 0.187 0.000 1.125 358 L CA 0.502 55.438 54.840 0.161 0.000 0.890 358 L CB 0.019 42.188 42.059 0.184 0.000 1.251 358 L HN 0.037 nan 8.230 nan 0.000 0.445 359 D N 2.747 123.215 120.400 0.113 0.000 2.671 359 D HA 0.513 5.153 4.640 0.000 0.000 0.232 359 D C 0.613 176.831 176.300 -0.137 0.000 1.114 359 D CA 0.021 53.995 54.000 -0.044 0.000 0.858 359 D CB 2.267 43.041 40.800 -0.044 0.000 1.544 359 D HN 0.396 nan 8.370 nan 0.000 0.471 360 A N 2.348 124.894 122.820 -0.458 0.000 2.121 360 A HA 0.195 4.515 4.320 0.000 0.000 0.218 360 A C 1.831 179.334 177.584 -0.136 0.000 1.154 360 A CA 1.835 53.651 52.037 -0.369 0.000 0.679 360 A CB -0.603 18.064 19.000 -0.554 0.000 0.795 360 A HN 0.577 nan 8.150 nan 0.000 0.458 361 A N -0.537 122.213 122.820 -0.117 0.000 1.843 361 A HA 0.085 4.405 4.320 0.000 0.000 0.213 361 A C 2.102 179.665 177.584 -0.036 0.000 1.202 361 A CA 1.504 53.503 52.037 -0.063 0.000 0.607 361 A CB -0.913 18.052 19.000 -0.058 0.000 0.847 361 A HN 0.371 nan 8.150 nan 0.000 0.445 362 V N 0.275 120.169 119.914 -0.033 0.000 2.515 362 V HA -0.154 3.966 4.120 0.000 0.000 0.250 362 V C 1.886 177.961 176.094 -0.032 0.000 1.058 362 V CA 1.938 64.223 62.300 -0.025 0.000 1.064 362 V CB -0.325 31.488 31.823 -0.017 0.000 0.675 362 V HN 0.660 nan 8.190 nan 0.000 0.461 363 V N -2.705 117.192 119.914 -0.029 0.000 3.159 363 V HA 0.807 4.927 4.120 0.000 0.000 0.333 363 V C 0.624 176.738 176.094 0.032 0.000 1.424 363 V CA -0.129 62.139 62.300 -0.053 0.000 1.125 363 V CB -0.587 31.103 31.823 -0.221 0.000 1.075 363 V HN 0.685 nan 8.190 nan 0.000 0.482 364 G N 0.075 108.895 108.800 0.034 0.000 2.828 364 G HA2 0.097 4.057 3.960 0.000 0.000 0.463 364 G HA3 0.097 4.057 3.960 0.000 0.000 0.463 364 G C 0.377 175.334 174.900 0.096 0.000 1.394 364 G CA 0.769 45.901 45.100 0.054 0.000 0.862 364 G HN 1.195 nan 8.290 nan 0.000 0.540 365 Q N -1.719 118.134 119.800 0.089 0.000 2.020 365 Q HA 0.246 4.586 4.340 0.000 0.000 0.198 365 Q C 3.138 179.243 176.000 0.174 0.000 0.974 365 Q CA 3.072 58.950 55.803 0.125 0.000 0.829 365 Q CB -1.515 27.271 28.738 0.081 0.000 0.894 365 Q HN 2.453 nan 8.270 nan 0.000 0.433 366 E N 0.428 120.705 120.200 0.128 0.000 2.097 366 E HA -0.275 4.075 4.350 0.000 0.000 0.196 366 E C 1.950 178.621 176.600 0.118 0.000 1.000 366 E CA 1.633 58.095 56.400 0.103 0.000 0.804 366 E CB -0.915 28.829 29.700 0.074 0.000 0.740 366 E HN 0.848 nan 8.360 nan 0.000 0.454 367 H N -1.928 117.192 119.070 0.083 0.000 2.436 367 H HA -0.001 4.555 4.556 0.000 0.000 0.294 367 H C 2.017 177.409 175.328 0.106 0.000 1.048 367 H CA 1.471 57.566 56.048 0.078 0.000 1.353 367 H CB -0.199 29.608 29.762 0.074 0.000 1.414 367 H HN 0.530 nan 8.280 nan 0.000 0.536 368 Y N 1.571 121.987 120.300 0.193 0.000 2.274 368 Y HA -0.156 4.394 4.550 0.000 0.000 0.290 368 Y C 1.545 177.485 175.900 0.068 0.000 1.145 368 Y CA 1.845 60.019 58.100 0.123 0.000 1.203 368 Y CB -0.036 38.472 38.460 0.080 0.000 0.984 368 Y HN 0.182 nan 8.280 nan 0.000 0.533 369 D N -0.733 119.699 120.400 0.053 0.000 2.106 369 D HA -0.161 4.479 4.640 0.000 0.000 0.203 369 D C 2.299 178.547 176.300 -0.087 0.000 0.977 369 D CA 1.904 55.880 54.000 -0.041 0.000 0.844 369 D CB -0.434 40.383 40.800 0.030 0.000 1.002 369 D HN 0.162 nan 8.370 nan 0.000 0.461 370 V N 1.209 121.075 119.914 -0.080 0.000 2.546 370 V HA -0.293 3.827 4.120 0.000 0.000 0.254 370 V C 2.302 178.320 176.094 -0.126 0.000 1.076 370 V CA 1.791 64.021 62.300 -0.116 0.000 1.087 370 V CB -0.916 30.803 31.823 -0.173 0.000 0.674 370 V HN 0.225 nan 8.190 nan 0.000 0.470 371 A N -0.513 122.230 122.820 -0.128 0.000 1.858 371 A HA -0.213 4.107 4.320 0.000 0.000 0.216 371 A C 2.486 179.995 177.584 -0.125 0.000 1.190 371 A CA 2.288 54.264 52.037 -0.101 0.000 0.617 371 A CB -0.784 18.178 19.000 -0.063 0.000 0.827 371 A HN 0.490 nan 8.150 nan 0.000 0.443 372 S N -0.656 114.929 115.700 -0.192 0.000 2.447 372 S HA 0.008 4.478 4.470 0.000 0.000 0.233 372 S C 2.258 176.796 174.600 -0.103 0.000 1.006 372 S CA 1.656 59.750 58.200 -0.176 0.000 0.957 372 S CB -0.192 62.859 63.200 -0.249 0.000 0.773 372 S HN 0.811 nan 8.310 nan 0.000 0.507 373 K N 0.507 120.855 120.400 -0.087 0.000 2.211 373 K HA 0.252 4.572 4.320 0.000 0.000 0.201 373 K C 1.970 178.540 176.600 -0.049 0.000 1.052 373 K CA 0.979 57.230 56.287 -0.059 0.000 0.973 373 K CB -0.960 31.510 32.500 -0.050 0.000 0.766 373 K HN 0.295 nan 8.250 nan 0.000 0.466 374 V N 1.154 121.036 119.914 -0.054 0.000 2.719 374 V HA -0.161 3.959 4.120 0.000 0.000 0.252 374 V C 3.224 179.297 176.094 -0.035 0.000 1.065 374 V CA 2.086 64.362 62.300 -0.041 0.000 1.086 374 V CB -0.131 31.668 31.823 -0.040 0.000 0.700 374 V HN 0.777 nan 8.190 nan 0.000 0.467 375 Q N 0.239 120.013 119.800 -0.044 0.000 2.049 375 Q HA -0.200 4.140 4.340 0.000 0.000 0.198 375 Q C 2.190 178.169 176.000 -0.035 0.000 0.971 375 Q CA 2.127 57.907 55.803 -0.038 0.000 0.833 375 Q CB -1.094 27.615 28.738 -0.049 0.000 0.896 375 Q HN 0.788 nan 8.270 nan 0.000 0.434 376 E N 0.468 120.644 120.200 -0.040 0.000 2.204 376 E HA -0.106 4.244 4.350 0.000 0.000 0.194 376 E C 2.126 178.711 176.600 -0.026 0.000 0.989 376 E CA 1.642 58.023 56.400 -0.033 0.000 0.824 376 E CB -1.048 28.632 29.700 -0.034 0.000 0.756 376 E HN 0.740 nan 8.360 nan 0.000 0.477 377 T N 0.333 114.872 114.554 -0.026 0.000 2.985 377 T HA 0.118 4.468 4.350 0.000 0.000 0.266 377 T C 1.882 176.571 174.700 -0.019 0.000 1.076 377 T CA 0.921 63.009 62.100 -0.021 0.000 1.135 377 T CB -0.044 68.811 68.868 -0.020 0.000 0.890 377 T HN 0.318 nan 8.240 nan 0.000 0.480 378 L N 0.640 121.851 121.223 -0.020 0.000 2.567 378 L HA 0.161 4.501 4.340 0.000 0.000 0.225 378 L C 3.107 179.966 176.870 -0.018 0.000 1.119 378 L CA 0.406 55.235 54.840 -0.018 0.000 0.871 378 L CB -0.504 41.545 42.059 -0.016 0.000 1.036 378 L HN 0.268 nan 8.230 nan 0.000 0.459 379 Q N -0.408 119.380 119.800 -0.020 0.000 2.163 379 Q HA -0.095 4.245 4.340 0.000 0.000 0.198 379 Q C 2.143 178.132 176.000 -0.018 0.000 0.954 379 Q CA 1.661 57.452 55.803 -0.020 0.000 0.851 379 Q CB -1.052 27.672 28.738 -0.023 0.000 0.928 379 Q HN 0.435 nan 8.270 nan 0.000 0.459 380 T N -0.278 114.266 114.554 -0.017 0.000 2.777 380 T HA 0.130 4.480 4.350 0.000 0.000 0.266 380 T C 1.510 176.202 174.700 -0.014 0.000 1.040 380 T CA 1.083 63.174 62.100 -0.015 0.000 1.141 380 T CB -0.888 67.972 68.868 -0.014 0.000 0.868 380 T HN 0.769 nan 8.240 nan 0.000 0.444 381 Y N 0.000 120.291 120.300 -0.014 0.000 2.660 381 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 381 Y CA 0.000 58.092 58.100 -0.013 0.000 1.940 381 Y CB 0.000 38.452 38.460 -0.014 0.000 1.050 381 Y HN 0.000 nan 8.280 nan 0.000 0.758