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 3oeh_1_O DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAFGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLA 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 0.000 174.707 174.700 0.011 0.000 1.109 7 T CA 0.000 62.105 62.100 0.008 0.000 1.349 7 T CB 0.000 68.873 68.868 0.008 0.000 0.612 8 P HA 0.743 nan 4.420 nan 0.000 0.293 8 P C -0.829 176.492 177.300 0.036 0.000 1.298 8 P CA -0.800 62.314 63.100 0.023 0.000 0.757 8 P CB 0.374 32.092 31.700 0.029 0.000 1.262 9 I N -0.355 120.247 120.570 0.053 0.000 2.389 9 I HA 0.325 4.495 4.170 0.000 0.000 0.288 9 I C 0.145 176.383 176.117 0.202 0.000 0.999 9 I CA -0.171 61.185 61.300 0.093 0.000 1.129 9 I CB 1.539 39.552 38.000 0.021 0.000 1.288 9 I HN 0.360 nan 8.210 nan 0.000 0.444 10 T N 1.902 116.581 114.554 0.208 0.000 2.885 10 T HA 0.908 5.258 4.350 0.000 0.000 0.285 10 T C -0.011 174.684 174.700 -0.009 0.000 1.019 10 T CA -0.808 61.378 62.100 0.143 0.000 1.010 10 T CB 1.903 70.793 68.868 0.037 0.000 1.022 10 T HN 0.669 nan 8.240 nan 0.000 0.466 11 G N 1.041 109.611 108.800 -0.383 0.000 2.788 11 G HA2 0.716 4.676 3.960 0.000 0.000 0.293 11 G HA3 0.716 4.676 3.960 0.000 0.000 0.293 11 G C -1.346 173.291 174.900 -0.439 0.000 1.305 11 G CA -1.211 43.324 45.100 -0.942 0.000 1.005 11 G HN 0.799 nan 8.290 nan 0.000 0.496 12 K N -0.459 119.716 120.400 -0.376 0.000 2.259 12 K HA 0.536 4.856 4.320 0.000 0.000 0.249 12 K C -1.016 175.496 176.600 -0.146 0.000 0.942 12 K CA -0.817 55.367 56.287 -0.173 0.000 0.816 12 K CB 2.931 35.386 32.500 -0.075 0.000 1.155 12 K HN 0.184 nan 8.250 nan 0.000 0.428 13 V N 2.741 122.601 119.914 -0.090 0.000 2.470 13 V HA -0.025 4.095 4.120 0.000 0.000 0.276 13 V C 1.326 177.395 176.094 -0.041 0.000 1.040 13 V CA 0.352 62.618 62.300 -0.058 0.000 1.008 13 V CB 0.643 32.442 31.823 -0.040 0.000 0.990 13 V HN 1.051 nan 8.190 nan 0.000 0.477 14 T N 1.783 116.320 114.554 -0.029 0.000 3.039 14 T HA 0.439 4.789 4.350 0.000 0.000 0.250 14 T C 0.548 175.236 174.700 -0.021 0.000 1.052 14 T CA 0.535 62.618 62.100 -0.028 0.000 1.125 14 T CB 0.437 69.290 68.868 -0.025 0.000 0.908 14 T HN 0.855 nan 8.240 nan 0.000 0.473 15 A N 0.671 123.484 122.820 -0.011 0.000 2.455 15 A HA 0.697 5.017 4.320 0.000 0.000 0.300 15 A C -1.366 176.216 177.584 -0.003 0.000 1.040 15 A CA -0.690 51.343 52.037 -0.007 0.000 0.697 15 A CB 2.013 21.012 19.000 -0.001 0.000 1.265 15 A HN 0.240 nan 8.150 nan 0.000 0.407 16 V N 2.989 122.900 119.914 -0.004 0.000 2.409 16 V HA 0.585 4.705 4.120 0.000 0.000 0.290 16 V C -1.096 174.997 176.094 -0.001 0.000 1.017 16 V CA -0.226 62.073 62.300 -0.002 0.000 0.841 16 V CB 1.184 33.005 31.823 -0.004 0.000 1.003 16 V HN 0.822 nan 8.190 nan 0.000 0.426 17 I N 4.857 125.428 120.570 0.001 0.000 2.529 17 I HA 0.791 4.961 4.170 0.000 0.000 0.284 17 I C 0.663 176.781 176.117 0.002 0.000 1.088 17 I CA 1.186 62.487 61.300 0.001 0.000 1.062 17 I CB 1.261 39.262 38.000 0.001 0.000 1.218 17 I HN 0.804 nan 8.210 nan 0.000 0.442 18 G N 5.889 114.689 108.800 0.001 0.000 2.672 18 G HA2 -0.333 3.627 3.960 0.000 0.000 0.332 18 G HA3 -0.333 3.627 3.960 0.000 0.000 0.332 18 G C 0.837 175.739 174.900 0.002 0.000 1.213 18 G CA 0.754 45.854 45.100 0.000 0.000 0.980 18 G HN 1.664 nan 8.290 nan 0.000 0.548 19 A N -0.651 122.170 122.820 0.002 0.000 2.348 19 A HA 0.613 4.933 4.320 0.000 0.000 0.224 19 A C 0.732 178.322 177.584 0.010 0.000 1.227 19 A CA 0.366 52.406 52.037 0.005 0.000 0.885 19 A CB 0.162 19.163 19.000 0.003 0.000 0.933 19 A HN 0.533 nan 8.150 nan 0.000 0.506 20 I N 1.772 122.347 120.570 0.009 0.000 2.307 20 I HA 0.293 4.463 4.170 0.000 0.000 0.289 20 I C -0.637 175.488 176.117 0.014 0.000 1.021 20 I CA -0.420 60.888 61.300 0.013 0.000 1.224 20 I CB 0.862 38.870 38.000 0.012 0.000 1.376 20 I HN -0.135 nan 8.210 nan 0.000 0.470 21 V N 5.808 125.733 119.914 0.019 0.000 2.459 21 V HA 0.396 4.516 4.120 0.000 0.000 0.295 21 V C -0.251 175.857 176.094 0.024 0.000 1.029 21 V CA -0.782 61.528 62.300 0.016 0.000 0.874 21 V CB 2.312 34.144 31.823 0.014 0.000 0.985 21 V HN 0.520 nan 8.190 nan 0.000 0.438 22 D N 3.091 123.502 120.400 0.018 0.000 2.233 22 D HA 0.527 5.167 4.640 0.000 0.000 0.240 22 D C -0.545 175.763 176.300 0.013 0.000 1.074 22 D CA -0.017 53.999 54.000 0.027 0.000 0.838 22 D CB 2.163 42.978 40.800 0.025 0.000 1.124 22 D HN 0.258 nan 8.370 nan 0.000 0.475 23 V N 2.337 122.266 119.914 0.025 0.000 2.513 23 V HA 0.282 4.402 4.120 0.000 0.000 0.299 23 V C -0.312 175.759 176.094 -0.039 0.000 1.035 23 V CA -0.827 61.438 62.300 -0.058 0.000 0.889 23 V CB 1.784 33.559 31.823 -0.079 0.000 0.988 23 V HN 0.532 nan 8.190 nan 0.000 0.440 24 H N 3.462 122.379 119.070 -0.256 0.000 2.469 24 H HA 0.645 5.201 4.556 0.000 0.000 0.342 24 H C -1.621 173.482 175.328 -0.375 0.000 1.115 24 H CA -0.808 55.137 56.048 -0.173 0.000 1.204 24 H CB 1.261 30.960 29.762 -0.105 0.000 1.492 24 H HN 0.461 nan 8.280 nan 0.000 0.499 25 F N 3.900 123.427 119.950 -0.705 0.000 2.382 25 F HA 0.205 4.732 4.527 0.000 0.000 0.361 25 F C 1.279 176.688 175.800 -0.652 0.000 1.109 25 F CA -0.629 57.066 58.000 -0.508 0.000 1.031 25 F CB 1.665 40.497 39.000 -0.280 0.000 1.234 25 F HN 0.651 nan 8.300 nan 0.000 0.445 26 E N 1.661 121.694 120.200 -0.278 0.000 2.273 26 E HA -0.203 4.147 4.350 0.000 0.000 0.198 26 E C 0.485 177.078 176.600 -0.011 0.000 1.002 26 E CA 0.861 57.227 56.400 -0.057 0.000 0.828 26 E CB 0.008 29.730 29.700 0.037 0.000 0.747 26 E HN 0.739 nan 8.360 nan 0.000 0.491 27 Q N -0.369 119.432 119.800 0.000 0.000 2.230 27 Q HA 0.317 4.657 4.340 0.000 0.000 0.248 27 Q C 0.976 176.968 176.000 -0.013 0.000 0.915 27 Q CA 0.080 55.888 55.803 0.008 0.000 0.900 27 Q CB 1.745 30.496 28.738 0.021 0.000 1.229 27 Q HN -0.179 nan 8.270 nan 0.000 0.439 28 S N 1.762 117.456 115.700 -0.011 0.000 2.393 28 S HA -0.320 4.150 4.470 0.000 0.000 0.234 28 S C 0.630 175.203 174.600 -0.044 0.000 1.064 28 S CA 1.927 60.116 58.200 -0.018 0.000 1.088 28 S CB -0.333 62.862 63.200 -0.009 0.000 0.939 28 S HN 0.820 nan 8.310 nan 0.000 0.448 29 E N 1.233 121.397 120.200 -0.059 0.000 2.316 29 E HA 0.316 4.666 4.350 0.000 0.000 0.275 29 E C -0.818 175.654 176.600 -0.213 0.000 1.029 29 E CA -0.574 55.766 56.400 -0.101 0.000 0.871 29 E CB 0.388 30.037 29.700 -0.085 0.000 1.022 29 E HN 0.285 nan 8.360 nan 0.000 0.418 30 L N 5.783 126.853 121.223 -0.255 0.000 2.334 30 L HA 0.516 4.856 4.340 0.000 0.000 0.273 30 L C -2.056 174.578 176.870 -0.393 0.000 1.013 30 L CA -2.532 52.017 54.840 -0.485 0.000 0.816 30 L CB 0.559 42.301 42.059 -0.529 0.000 1.278 30 L HN 0.664 nan 8.230 nan 0.000 0.431 31 P HA 0.169 nan 4.420 nan 0.000 0.269 31 P C -0.521 176.763 177.300 -0.025 0.000 1.209 31 P CA -0.360 62.576 63.100 -0.274 0.000 0.776 31 P CB 0.798 32.313 31.700 -0.308 0.000 0.876 32 A N 3.805 126.630 122.820 0.008 0.000 2.425 32 A HA 0.212 4.532 4.320 0.000 0.000 0.242 32 A C 0.751 178.367 177.584 0.053 0.000 1.077 32 A CA -0.512 51.551 52.037 0.044 0.000 0.781 32 A CB -0.477 18.518 19.000 -0.008 0.000 1.020 32 A HN 0.558 nan 8.150 nan 0.000 0.494 33 I N 1.098 121.662 120.570 -0.010 0.000 2.845 33 I HA -0.103 4.067 4.170 0.000 0.000 0.296 33 I C 0.707 176.807 176.117 -0.029 0.000 1.216 33 I CA 0.849 62.132 61.300 -0.029 0.000 1.438 33 I CB 0.098 38.032 38.000 -0.109 0.000 1.342 33 I HN 0.742 nan 8.210 nan 0.000 0.577 34 L N 1.988 123.198 121.223 -0.021 0.000 4.892 34 L HA -0.255 4.085 4.340 0.000 0.000 0.403 34 L C 0.189 177.100 176.870 0.068 0.000 0.913 34 L CA 0.071 54.901 54.840 -0.017 0.000 1.653 34 L CB -1.667 40.326 42.059 -0.110 0.000 1.780 34 L HN 0.696 nan 8.230 nan 0.000 0.597 35 N N 1.187 119.916 118.700 0.049 0.000 2.479 35 N HA 0.475 5.215 4.740 0.000 0.000 0.257 35 N C 0.312 175.860 175.510 0.063 0.000 1.232 35 N CA 0.880 53.959 53.050 0.050 0.000 0.920 35 N CB 0.955 39.456 38.487 0.023 0.000 1.105 35 N HN 0.294 nan 8.380 nan 0.000 0.444 36 A N 2.796 125.650 122.820 0.057 0.000 2.320 36 A HA 0.469 4.789 4.320 0.000 0.000 0.287 36 A C -0.056 177.562 177.584 0.057 0.000 1.181 36 A CA -0.421 51.649 52.037 0.055 0.000 0.831 36 A CB -0.075 18.949 19.000 0.041 0.000 1.102 36 A HN 0.624 nan 8.150 nan 0.000 0.513 37 L N 1.786 123.051 121.223 0.070 0.000 2.332 37 L HA 0.613 4.953 4.340 0.000 0.000 0.269 37 L C 0.287 177.193 176.870 0.060 0.000 1.016 37 L CA -0.523 54.368 54.840 0.084 0.000 0.809 37 L CB 1.531 43.663 42.059 0.122 0.000 1.280 37 L HN 0.718 nan 8.230 nan 0.000 0.447 38 E N 1.458 121.691 120.200 0.055 0.000 2.293 38 E HA 0.596 4.946 4.350 0.000 0.000 0.270 38 E C -1.450 175.165 176.600 0.025 0.000 0.879 38 E CA -0.636 55.785 56.400 0.035 0.000 0.756 38 E CB 3.234 32.951 29.700 0.028 0.000 1.208 38 E HN 0.369 nan 8.360 nan 0.000 0.428 39 I N 2.385 122.965 120.570 0.016 0.000 2.439 39 I HA 0.221 4.391 4.170 0.000 0.000 0.285 39 I C -0.429 175.691 176.117 0.005 0.000 1.021 39 I CA -0.698 60.606 61.300 0.007 0.000 1.091 39 I CB 1.587 39.588 38.000 0.002 0.000 1.242 39 I HN 0.160 nan 8.210 nan 0.000 0.439 40 K N 5.416 125.818 120.400 0.003 0.000 2.382 40 K HA 0.189 4.509 4.320 0.000 0.000 0.286 40 K C 0.363 176.962 176.600 -0.000 0.000 1.062 40 K CA -0.127 56.161 56.287 0.002 0.000 1.000 40 K CB 0.314 32.814 32.500 0.001 0.000 0.954 40 K HN 0.659 nan 8.250 nan 0.000 0.470 41 T N -0.376 114.178 114.554 0.000 0.000 2.824 41 T HA 0.237 4.587 4.350 0.000 0.000 0.277 41 T C -1.149 173.550 174.700 -0.001 0.000 0.975 41 T CA -1.489 60.611 62.100 -0.001 0.000 0.966 41 T CB 0.849 69.717 68.868 0.000 0.000 1.054 41 T HN 0.340 nan 8.240 nan 0.000 0.533 42 P HA 0.017 nan 4.420 nan 0.000 0.236 42 P C 0.980 178.279 177.300 -0.001 0.000 1.177 42 P CA 0.635 63.734 63.100 -0.002 0.000 0.773 42 P CB 0.294 31.992 31.700 -0.002 0.000 0.878 43 Q N -0.113 119.686 119.800 -0.001 0.000 1.868 43 Q HA 0.147 4.487 4.340 0.000 0.000 0.233 43 Q C 1.889 177.888 176.000 -0.001 0.000 0.967 43 Q CA 1.780 57.583 55.803 -0.001 0.000 0.863 43 Q CB -1.008 27.730 28.738 -0.001 0.000 0.907 43 Q HN 0.235 nan 8.270 nan 0.000 0.442 44 G N 0.567 109.367 108.800 -0.000 0.000 2.581 44 G HA2 0.291 4.252 3.960 0.000 0.000 0.194 44 G HA3 0.291 4.252 3.960 0.000 0.000 0.194 44 G C -0.675 174.226 174.900 0.001 0.000 1.814 44 G CA 0.028 45.128 45.100 0.000 0.000 0.745 44 G HN 0.249 nan 8.290 nan 0.000 0.802 45 K N -0.827 119.575 120.400 0.002 0.000 2.542 45 K HA 0.695 5.015 4.320 0.000 0.000 0.259 45 K C -2.223 174.380 176.600 0.006 0.000 0.932 45 K CA -0.836 55.453 56.287 0.004 0.000 0.820 45 K CB 2.514 35.016 32.500 0.005 0.000 1.345 45 K HN 0.384 nan 8.250 nan 0.000 0.432 46 L N 2.681 123.909 121.223 0.008 0.000 2.325 46 L HA 0.479 4.819 4.340 0.000 0.000 0.281 46 L C -1.419 175.461 176.870 0.016 0.000 1.004 46 L CA -0.516 54.330 54.840 0.010 0.000 0.823 46 L CB 1.965 44.029 42.059 0.009 0.000 1.236 46 L HN 0.603 nan 8.230 nan 0.000 0.415 47 V N 5.872 125.797 119.914 0.018 0.000 2.617 47 V HA 0.544 4.664 4.120 0.000 0.000 0.298 47 V C -0.042 176.071 176.094 0.031 0.000 1.048 47 V CA -0.580 61.735 62.300 0.025 0.000 0.964 47 V CB 1.587 33.424 31.823 0.023 0.000 1.004 47 V HN 0.653 nan 8.190 nan 0.000 0.466 48 L N 2.724 123.972 121.223 0.042 0.000 2.401 48 L HA 0.634 4.974 4.340 0.000 0.000 0.266 48 L C -0.319 176.588 176.870 0.062 0.000 0.991 48 L CA -0.462 54.407 54.840 0.049 0.000 0.818 48 L CB 2.184 44.274 42.059 0.052 0.000 1.321 48 L HN 0.599 nan 8.230 nan 0.000 0.413 49 E N 1.466 121.706 120.200 0.066 0.000 2.151 49 E HA 0.387 4.737 4.350 0.000 0.000 0.275 49 E C -1.139 175.505 176.600 0.073 0.000 0.936 49 E CA -0.788 55.659 56.400 0.080 0.000 0.777 49 E CB 2.055 31.817 29.700 0.103 0.000 1.108 49 E HN 0.364 nan 8.360 nan 0.000 0.401 50 V N 4.129 124.089 119.914 0.076 0.000 2.529 50 V HA 0.044 4.164 4.120 0.000 0.000 0.292 50 V C 0.935 177.064 176.094 0.059 0.000 1.028 50 V CA 0.821 63.170 62.300 0.082 0.000 1.074 50 V CB 0.761 32.641 31.823 0.094 0.000 0.958 50 V HN 0.881 nan 8.190 nan 0.000 0.481 51 A N 4.430 127.287 122.820 0.062 0.000 1.938 51 A HA 0.272 4.592 4.320 0.000 0.000 0.207 51 A C 0.682 178.290 177.584 0.040 0.000 1.292 51 A CA 0.345 52.403 52.037 0.034 0.000 0.700 51 A CB 0.285 19.302 19.000 0.029 0.000 0.947 51 A HN 0.854 nan 8.150 nan 0.000 0.476 52 Q N -0.983 118.868 119.800 0.085 0.000 2.418 52 Q HA 0.443 4.783 4.340 0.000 0.000 0.282 52 Q C -1.706 174.430 176.000 0.227 0.000 1.044 52 Q CA -0.713 55.151 55.803 0.101 0.000 0.813 52 Q CB 1.028 29.801 28.738 0.058 0.000 1.428 52 Q HN 0.541 nan 8.270 nan 0.000 0.402 53 H N 1.712 120.789 119.070 0.011 0.000 2.705 53 H HA 0.222 4.778 4.556 0.000 0.000 0.291 53 H C 0.503 175.846 175.328 0.025 0.000 1.085 53 H CA -0.331 55.729 56.048 0.019 0.000 1.357 53 H CB 1.184 30.950 29.762 0.005 0.000 1.419 53 H HN 0.495 nan 8.280 nan 0.000 0.462 54 L N 2.978 124.276 121.223 0.127 0.000 2.395 54 L HA 0.112 4.452 4.340 0.000 0.000 0.218 54 L C 1.266 178.180 176.870 0.075 0.000 1.130 54 L CA 0.629 55.519 54.840 0.084 0.000 0.826 54 L CB 0.003 42.102 42.059 0.065 0.000 0.941 54 L HN 0.916 nan 8.230 nan 0.000 0.451 55 G N -0.105 108.743 108.800 0.080 0.000 2.603 55 G HA2 -0.179 3.781 3.960 0.000 0.000 0.686 55 G HA3 -0.179 3.781 3.960 0.000 0.000 0.686 55 G C -0.064 174.875 174.900 0.065 0.000 1.286 55 G CA -0.495 44.645 45.100 0.066 0.000 0.871 55 G HN 0.250 nan 8.290 nan 0.000 0.568 56 E N -0.334 119.904 120.200 0.063 0.000 2.238 56 E HA -0.269 4.081 4.350 0.000 0.000 0.219 56 E C 0.790 177.473 176.600 0.138 0.000 1.275 56 E CA 0.917 57.367 56.400 0.083 0.000 0.714 56 E CB -1.124 28.616 29.700 0.066 0.000 1.154 56 E HN 1.206 nan 8.360 nan 0.000 0.363 57 N N -1.506 117.245 118.700 0.085 0.000 2.693 57 N HA -0.177 4.563 4.740 0.000 0.000 0.249 57 N C -1.002 174.569 175.510 0.101 0.000 1.119 57 N CA 1.900 54.976 53.050 0.044 0.000 0.717 57 N CB -0.818 37.665 38.487 -0.007 0.000 1.071 57 N HN 0.299 nan 8.380 nan 0.000 0.555 58 T N -0.281 114.347 114.554 0.123 0.000 2.824 58 T HA 0.657 5.008 4.350 0.000 0.000 0.280 58 T C 0.338 175.073 174.700 0.059 0.000 0.995 58 T CA -0.674 61.505 62.100 0.132 0.000 1.009 58 T CB 1.952 70.900 68.868 0.132 0.000 0.955 58 T HN 0.129 nan 8.240 nan 0.000 0.452 59 V N 1.423 121.392 119.914 0.091 0.000 2.667 59 V HA 0.744 4.864 4.120 0.000 0.000 0.308 59 V C -0.225 175.927 176.094 0.098 0.000 1.048 59 V CA -1.415 60.930 62.300 0.075 0.000 0.928 59 V CB 1.658 33.530 31.823 0.080 0.000 1.004 59 V HN 0.837 nan 8.190 nan 0.000 0.444 60 R N 2.081 122.638 120.500 0.095 0.000 2.393 60 R HA 0.727 5.068 4.340 0.000 0.000 0.310 60 R C -0.181 176.163 176.300 0.074 0.000 0.968 60 R CA 0.213 56.357 56.100 0.074 0.000 0.867 60 R CB 1.559 31.895 30.300 0.060 0.000 1.124 60 R HN 1.145 nan 8.270 nan 0.000 0.450 61 T N 1.506 116.098 114.554 0.062 0.000 2.924 61 T HA 0.535 4.885 4.350 0.000 0.000 0.291 61 T C -0.032 174.693 174.700 0.043 0.000 1.045 61 T CA -0.882 61.254 62.100 0.060 0.000 1.015 61 T CB 1.164 70.072 68.868 0.068 0.000 1.103 61 T HN 0.446 nan 8.240 nan 0.000 0.496 62 I N 2.070 122.666 120.570 0.042 0.000 2.339 62 I HA 0.574 4.744 4.170 0.000 0.000 0.290 62 I C 0.841 176.980 176.117 0.035 0.000 0.994 62 I CA -1.101 60.219 61.300 0.033 0.000 1.191 62 I CB 1.338 39.357 38.000 0.031 0.000 1.343 62 I HN 0.944 nan 8.210 nan 0.000 0.458 63 A N 7.162 129.998 122.820 0.027 0.000 2.386 63 A HA 0.421 4.741 4.320 0.000 0.000 0.248 63 A C 0.741 178.340 177.584 0.025 0.000 1.082 63 A CA -0.134 51.918 52.037 0.025 0.000 0.789 63 A CB 0.378 19.388 19.000 0.018 0.000 1.025 63 A HN 0.777 nan 8.150 nan 0.000 0.490 64 M N 0.699 120.314 119.600 0.025 0.000 2.419 64 M HA 0.241 4.721 4.480 0.000 0.000 0.252 64 M C -0.396 175.915 176.300 0.018 0.000 1.143 64 M CA 0.386 55.700 55.300 0.023 0.000 0.985 64 M CB -0.887 31.727 32.600 0.024 0.000 1.489 64 M HN 0.797 nan 8.290 nan 0.000 0.484 65 D N -1.072 119.337 120.400 0.015 0.000 2.671 65 D HA 0.424 5.064 4.640 0.000 0.000 0.273 65 D C -0.561 175.745 176.300 0.009 0.000 1.264 65 D CA -0.143 53.864 54.000 0.012 0.000 0.788 65 D CB 1.319 42.125 40.800 0.010 0.000 1.324 65 D HN 0.134 nan 8.370 nan 0.000 0.424 66 G N -0.573 108.231 108.800 0.007 0.000 2.414 66 G HA2 0.350 4.310 3.960 0.000 0.000 0.236 66 G HA3 0.350 4.310 3.960 0.000 0.000 0.236 66 G C 0.773 175.676 174.900 0.004 0.000 1.293 66 G CA 0.601 45.704 45.100 0.005 0.000 0.869 66 G HN 0.411 nan 8.290 nan 0.000 0.556 67 T N -0.584 113.972 114.554 0.003 0.000 3.243 67 T HA 0.275 4.625 4.350 0.000 0.000 0.264 67 T C 0.340 175.041 174.700 0.000 0.000 1.000 67 T CA -0.433 61.669 62.100 0.002 0.000 0.901 67 T CB -0.092 68.778 68.868 0.003 0.000 1.083 67 T HN 0.498 nan 8.240 nan 0.000 0.559 68 E N 0.894 121.094 120.200 0.000 0.000 2.436 68 E HA 0.445 4.795 4.350 0.000 0.000 0.262 68 E C 1.557 178.156 176.600 -0.002 0.000 1.063 68 E CA 1.015 57.414 56.400 -0.001 0.000 0.944 68 E CB -0.252 29.448 29.700 -0.000 0.000 0.950 68 E HN 0.367 nan 8.360 nan 0.000 0.444 69 G N 1.293 110.091 108.800 -0.003 0.000 2.363 69 G HA2 -0.305 3.655 3.960 0.000 0.000 0.238 69 G HA3 -0.305 3.655 3.960 0.000 0.000 0.238 69 G C 0.194 175.091 174.900 -0.005 0.000 1.062 69 G CA 0.000 45.098 45.100 -0.004 0.000 0.629 69 G HN 0.394 nan 8.290 nan 0.000 0.514 70 L N 1.203 122.423 121.223 -0.005 0.000 2.485 70 L HA 0.431 4.771 4.340 0.000 0.000 0.275 70 L C 0.434 177.298 176.870 -0.009 0.000 1.207 70 L CA 0.239 55.075 54.840 -0.007 0.000 0.855 70 L CB 1.060 43.116 42.059 -0.006 0.000 1.114 70 L HN 0.100 nan 8.230 nan 0.000 0.485 71 V N 3.679 123.585 119.914 -0.012 0.000 2.709 71 V HA 0.341 4.461 4.120 0.000 0.000 0.308 71 V C 0.105 176.188 176.094 -0.019 0.000 1.062 71 V CA -0.983 61.308 62.300 -0.014 0.000 0.901 71 V CB 2.011 33.826 31.823 -0.014 0.000 1.003 71 V HN 0.678 nan 8.190 nan 0.000 0.425 72 R N 2.223 122.711 120.500 -0.020 0.000 2.485 72 R HA 0.331 4.671 4.340 0.000 0.000 0.304 72 R C 1.308 177.591 176.300 -0.029 0.000 0.934 72 R CA 1.474 57.559 56.100 -0.025 0.000 1.102 72 R CB -0.067 30.218 30.300 -0.025 0.000 0.906 72 R HN 1.255 nan 8.270 nan 0.000 0.407 73 G N 2.168 110.947 108.800 -0.036 0.000 2.195 73 G HA2 -0.273 3.687 3.960 0.000 0.000 0.224 73 G HA3 -0.273 3.687 3.960 0.000 0.000 0.224 73 G C 0.093 174.968 174.900 -0.042 0.000 0.990 73 G CA -0.147 44.930 45.100 -0.038 0.000 0.639 73 G HN 0.604 nan 8.290 nan 0.000 0.514 74 E N 0.793 120.969 120.200 -0.039 0.000 2.415 74 E HA 0.332 4.682 4.350 0.000 0.000 0.262 74 E C 0.634 177.204 176.600 -0.050 0.000 1.038 74 E CA -0.140 56.239 56.400 -0.036 0.000 0.921 74 E CB 0.338 30.021 29.700 -0.027 0.000 0.950 74 E HN 0.315 nan 8.360 nan 0.000 0.438 75 K N 3.039 123.415 120.400 -0.040 0.000 2.338 75 K HA 0.133 4.453 4.320 0.000 0.000 0.290 75 K C -1.325 175.250 176.600 -0.041 0.000 1.069 75 K CA -0.352 55.907 56.287 -0.046 0.000 0.941 75 K CB 0.420 32.904 32.500 -0.028 0.000 1.023 75 K HN 0.175 nan 8.250 nan 0.000 0.477 76 V N 6.540 126.413 119.914 -0.068 0.000 2.370 76 V HA 0.283 4.403 4.120 0.000 0.000 0.283 76 V C -0.485 175.619 176.094 0.016 0.000 1.023 76 V CA -1.026 61.251 62.300 -0.037 0.000 0.857 76 V CB 1.025 32.802 31.823 -0.077 0.000 0.985 76 V HN 0.681 nan 8.190 nan 0.000 0.443 77 L N 3.984 125.238 121.223 0.052 0.000 2.282 77 L HA 0.674 5.015 4.340 0.000 0.000 0.288 77 L C -0.259 176.675 176.870 0.107 0.000 1.033 77 L CA -0.000 54.888 54.840 0.080 0.000 0.807 77 L CB 1.428 43.515 42.059 0.046 0.000 1.209 77 L HN 0.706 nan 8.230 nan 0.000 0.423 78 D N 2.136 122.618 120.400 0.138 0.000 2.351 78 D HA 0.143 4.783 4.640 0.000 0.000 0.251 78 D C 1.123 177.452 176.300 0.048 0.000 1.137 78 D CA 0.507 54.563 54.000 0.094 0.000 0.879 78 D CB 1.506 42.335 40.800 0.049 0.000 1.181 78 D HN 0.768 nan 8.370 nan 0.000 0.448 79 T N 0.860 115.436 114.554 0.037 0.000 3.067 79 T HA 0.180 4.530 4.350 0.000 0.000 0.261 79 T C 1.562 176.269 174.700 0.010 0.000 1.110 79 T CA 0.339 62.452 62.100 0.022 0.000 1.113 79 T CB -0.356 68.524 68.868 0.020 0.000 0.917 79 T HN 0.809 nan 8.240 nan 0.000 0.499 80 G N 0.349 109.152 108.800 0.005 0.000 2.198 80 G HA2 0.257 4.217 3.960 0.000 0.000 0.257 80 G HA3 0.257 4.217 3.960 0.000 0.000 0.257 80 G C 0.326 175.225 174.900 -0.002 0.000 1.042 80 G CA -0.222 44.874 45.100 -0.007 0.000 0.791 80 G HN 1.514 nan 8.290 nan 0.000 0.502 81 G N -1.358 107.446 108.800 0.007 0.000 2.442 81 G HA2 0.693 4.653 3.960 0.000 0.000 0.296 81 G HA3 0.693 4.653 3.960 0.000 0.000 0.296 81 G C -3.218 171.699 174.900 0.027 0.000 1.564 81 G CA -0.105 45.003 45.100 0.013 0.000 0.828 81 G HN 0.264 nan 8.290 nan 0.000 0.571 82 P HA 0.362 nan 4.420 nan 0.000 0.272 82 P C 0.578 177.899 177.300 0.035 0.000 1.240 82 P CA -0.524 62.622 63.100 0.078 0.000 0.791 82 P CB 0.605 32.392 31.700 0.146 0.000 0.978 83 I N 0.174 120.760 120.570 0.027 0.000 2.996 83 I HA -0.108 4.062 4.170 0.000 0.000 0.311 83 I C 0.644 176.730 176.117 -0.051 0.000 1.219 83 I CA 1.188 62.477 61.300 -0.019 0.000 1.452 83 I CB -0.334 37.643 38.000 -0.039 0.000 1.319 83 I HN 0.317 nan 8.210 nan 0.000 0.564 84 S N 5.598 121.271 115.700 -0.045 0.000 2.607 84 S HA 0.822 5.293 4.470 0.000 0.000 0.303 84 S C -0.399 174.161 174.600 -0.067 0.000 1.086 84 S CA -0.909 57.257 58.200 -0.058 0.000 0.995 84 S CB 2.231 65.404 63.200 -0.046 0.000 1.084 84 S HN 0.542 nan 8.310 nan 0.000 0.507 85 V N -2.169 117.696 119.914 -0.081 0.000 2.876 85 V HA 0.719 4.839 4.120 0.000 0.000 0.312 85 V C -3.288 172.739 176.094 -0.111 0.000 1.085 85 V CA -3.046 59.203 62.300 -0.085 0.000 0.945 85 V CB 1.217 32.990 31.823 -0.084 0.000 1.017 85 V HN 0.623 nan 8.190 nan 0.000 0.428 86 P HA 0.452 nan 4.420 nan 0.000 0.271 86 P C -0.471 176.703 177.300 -0.210 0.000 1.216 86 P CA -0.046 62.967 63.100 -0.146 0.000 0.776 86 P CB 1.201 32.838 31.700 -0.105 0.000 0.881 87 V N -0.868 118.840 119.914 -0.344 0.000 3.102 87 V HA 1.010 5.130 4.120 0.000 0.000 0.312 87 V C 0.054 175.751 176.094 -0.661 0.000 1.135 87 V CA -0.153 61.809 62.300 -0.563 0.000 1.022 87 V CB 1.222 32.543 31.823 -0.836 0.000 1.056 87 V HN 0.980 nan 8.190 nan 0.000 0.436 88 G N 1.993 110.337 108.800 -0.759 0.000 2.566 88 G HA2 -0.113 3.848 3.960 0.000 0.000 0.599 88 G HA3 -0.113 3.848 3.960 0.000 0.000 0.599 88 G C -0.046 174.774 174.900 -0.134 0.000 1.292 88 G CA -0.001 44.843 45.100 -0.426 0.000 0.922 88 G HN 1.006 nan 8.290 nan 0.000 0.514 89 R N 0.173 120.670 120.500 -0.005 0.000 2.316 89 R HA 0.025 4.366 4.340 0.000 0.000 0.202 89 R C 1.928 178.225 176.300 -0.004 0.000 1.029 89 R CA 1.130 57.240 56.100 0.015 0.000 1.018 89 R CB -0.026 30.293 30.300 0.032 0.000 0.888 89 R HN 0.524 nan 8.270 nan 0.000 0.471 90 E N -0.010 120.178 120.200 -0.020 0.000 2.152 90 E HA -0.117 4.233 4.350 0.000 0.000 0.192 90 E C 2.028 178.626 176.600 -0.004 0.000 0.983 90 E CA 1.729 58.119 56.400 -0.016 0.000 0.818 90 E CB -0.215 29.463 29.700 -0.037 0.000 0.758 90 E HN 0.416 nan 8.360 nan 0.000 0.467 91 T N -0.271 114.285 114.554 0.003 0.000 2.833 91 T HA -0.095 4.255 4.350 0.000 0.000 0.269 91 T C 1.360 176.090 174.700 0.049 0.000 1.054 91 T CA 0.267 62.386 62.100 0.031 0.000 1.135 91 T CB -0.560 68.344 68.868 0.060 0.000 0.869 91 T HN -0.017 nan 8.240 nan 0.000 0.466 92 L N 2.019 123.262 121.223 0.033 0.000 2.540 92 L HA 0.375 4.715 4.340 0.000 0.000 0.276 92 L C 1.878 178.776 176.870 0.047 0.000 1.212 92 L CA 0.843 55.688 54.840 0.008 0.000 0.893 92 L CB -0.221 41.797 42.059 -0.070 0.000 1.138 92 L HN 0.592 nan 8.230 nan 0.000 0.491 93 G N 1.664 110.512 108.800 0.080 0.000 2.267 93 G HA2 -0.229 3.731 3.960 0.000 0.000 0.257 93 G HA3 -0.229 3.731 3.960 0.000 0.000 0.257 93 G C 0.418 175.401 174.900 0.137 0.000 0.998 93 G CA -0.322 44.849 45.100 0.118 0.000 0.620 93 G HN 0.481 nan 8.290 nan 0.000 0.529 94 R N 0.189 120.742 120.500 0.087 0.000 2.536 94 R HA 0.696 5.036 4.340 0.000 0.000 0.279 94 R C 0.179 176.505 176.300 0.043 0.000 1.001 94 R CA -0.839 55.294 56.100 0.056 0.000 1.027 94 R CB 0.778 31.098 30.300 0.033 0.000 1.096 94 R HN 0.338 nan 8.270 nan 0.000 0.502 95 I N 3.808 124.373 120.570 -0.008 0.000 2.330 95 I HA 0.345 4.515 4.170 0.000 0.000 0.289 95 I C 0.152 176.288 176.117 0.031 0.000 1.001 95 I CA -0.493 60.816 61.300 0.015 0.000 1.193 95 I CB 0.913 38.864 38.000 -0.080 0.000 1.345 95 I HN 0.291 nan 8.210 nan 0.000 0.461 96 I N 5.764 126.368 120.570 0.057 0.000 2.577 96 I HA 0.385 4.555 4.170 0.000 0.000 0.305 96 I C 0.176 176.331 176.117 0.064 0.000 0.986 96 I CA -0.627 60.695 61.300 0.036 0.000 1.189 96 I CB 1.222 39.230 38.000 0.014 0.000 1.355 96 I HN 0.611 nan 8.210 nan 0.000 0.476 97 N N 2.953 121.679 118.700 0.044 0.000 2.717 97 N HA 0.196 4.937 4.740 0.000 0.000 0.314 97 N C 0.606 176.130 175.510 0.023 0.000 1.324 97 N CA -0.753 52.329 53.050 0.053 0.000 0.902 97 N CB -0.001 38.514 38.487 0.046 0.000 1.126 97 N HN 0.374 nan 8.380 nan 0.000 0.579 98 V N -0.307 119.620 119.914 0.021 0.000 2.343 98 V HA -0.126 3.994 4.120 0.000 0.000 0.247 98 V C 1.672 177.758 176.094 -0.014 0.000 1.051 98 V CA 2.024 64.326 62.300 0.003 0.000 1.036 98 V CB -0.882 30.948 31.823 0.012 0.000 0.654 98 V HN 0.638 nan 8.190 nan 0.000 0.451 99 I N -1.544 119.021 120.570 -0.007 0.000 3.735 99 I HA 0.471 4.641 4.170 0.000 0.000 0.310 99 I C 1.464 177.568 176.117 -0.021 0.000 1.270 99 I CA 0.750 62.042 61.300 -0.014 0.000 1.207 99 I CB -0.480 37.517 38.000 -0.004 0.000 1.013 99 I HN 0.369 nan 8.210 nan 0.000 0.452 100 G N 0.580 109.367 108.800 -0.022 0.000 2.157 100 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 100 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 100 G C 0.081 174.969 174.900 -0.020 0.000 0.979 100 G CA 0.272 45.356 45.100 -0.028 0.000 0.650 100 G HN 0.869 nan 8.290 nan 0.000 0.529 101 E N 1.512 121.705 120.200 -0.011 0.000 2.283 101 E HA 0.662 5.012 4.350 0.000 0.000 0.278 101 E C -2.021 174.576 176.600 -0.005 0.000 1.027 101 E CA -1.347 55.048 56.400 -0.009 0.000 0.843 101 E CB 0.556 30.252 29.700 -0.006 0.000 1.062 101 E HN 0.339 nan 8.360 nan 0.000 0.401 102 P HA 0.268 nan 4.420 nan 0.000 0.280 102 P C 0.127 177.419 177.300 -0.013 0.000 1.244 102 P CA -0.097 62.998 63.100 -0.008 0.000 0.784 102 P CB 0.579 32.273 31.700 -0.009 0.000 0.913 103 I N -0.651 119.906 120.570 -0.021 0.000 3.707 103 I HA 0.271 4.442 4.170 0.000 0.000 0.330 103 I C 0.236 176.308 176.117 -0.076 0.000 1.572 103 I CA -0.265 61.013 61.300 -0.038 0.000 1.104 103 I CB -0.133 37.849 38.000 -0.029 0.000 1.240 103 I HN 0.041 nan 8.210 nan 0.000 0.475 104 D N 0.299 120.655 120.400 -0.074 0.000 2.395 104 D HA 0.009 4.649 4.640 0.000 0.000 0.213 104 D C 0.531 176.814 176.300 -0.029 0.000 1.110 104 D CA -0.177 53.766 54.000 -0.096 0.000 0.835 104 D CB -0.155 40.570 40.800 -0.125 0.000 0.965 104 D HN 0.449 nan 8.370 nan 0.000 0.505 105 E N -0.190 119.998 120.200 -0.020 0.000 2.805 105 E HA -0.273 4.077 4.350 0.000 0.000 0.266 105 E C 0.235 176.840 176.600 0.008 0.000 1.092 105 E CA 0.395 56.792 56.400 -0.004 0.000 0.781 105 E CB -1.177 28.522 29.700 -0.002 0.000 1.379 105 E HN 0.407 nan 8.360 nan 0.000 0.433 106 R N 0.161 120.668 120.500 0.011 0.000 2.586 106 R HA 0.297 4.637 4.340 0.000 0.000 0.306 106 R C 0.814 177.122 176.300 0.013 0.000 1.079 106 R CA 0.352 56.464 56.100 0.021 0.000 1.083 106 R CB 0.885 31.207 30.300 0.037 0.000 1.306 106 R HN 0.311 nan 8.270 nan 0.000 0.567 107 G N 1.625 110.428 108.800 0.006 0.000 2.610 107 G HA2 -0.202 3.759 3.960 0.000 0.000 0.304 107 G HA3 -0.202 3.759 3.960 0.000 0.000 0.304 107 G C -2.721 172.178 174.900 -0.001 0.000 1.309 107 G CA -1.255 43.847 45.100 0.003 0.000 0.906 107 G HN 0.066 nan 8.290 nan 0.000 0.521 108 P HA 0.560 nan 4.420 nan 0.000 0.276 108 P C -0.092 177.202 177.300 -0.010 0.000 1.244 108 P CA -0.490 62.605 63.100 -0.008 0.000 0.801 108 P CB 0.491 32.185 31.700 -0.009 0.000 1.006 109 I N 1.425 121.986 120.570 -0.016 0.000 2.287 109 I HA 0.211 4.382 4.170 0.000 0.000 0.290 109 I C 0.789 176.888 176.117 -0.030 0.000 1.069 109 I CA -0.131 61.157 61.300 -0.021 0.000 1.237 109 I CB 0.201 38.185 38.000 -0.027 0.000 1.418 109 I HN 0.066 nan 8.210 nan 0.000 0.481 110 K N 5.338 125.723 120.400 -0.026 0.000 2.502 110 K HA 0.154 4.474 4.320 0.000 0.000 0.244 110 K C 0.439 177.014 176.600 -0.042 0.000 1.249 110 K CA -0.251 56.018 56.287 -0.029 0.000 1.193 110 K CB 0.203 32.692 32.500 -0.018 0.000 1.674 110 K HN 0.758 nan 8.250 nan 0.000 0.302 111 S N -0.100 115.562 115.700 -0.064 0.000 2.600 111 S HA 0.137 4.607 4.470 0.000 0.000 0.265 111 S C 0.942 175.489 174.600 -0.088 0.000 1.325 111 S CA -0.397 57.745 58.200 -0.096 0.000 1.002 111 S CB 1.421 64.534 63.200 -0.145 0.000 0.921 111 S HN 0.359 nan 8.310 nan 0.000 0.554 112 K N -0.081 120.258 120.400 -0.102 0.000 2.262 112 K HA 0.318 4.638 4.320 0.000 0.000 0.200 112 K C -0.123 176.422 176.600 -0.092 0.000 1.049 112 K CA 0.592 56.833 56.287 -0.076 0.000 0.979 112 K CB -0.196 32.272 32.500 -0.053 0.000 0.773 112 K HN 0.498 nan 8.250 nan 0.000 0.474 113 L N 0.493 121.625 121.223 -0.152 0.000 2.371 113 L HA 0.444 4.784 4.340 0.000 0.000 0.262 113 L C -0.653 176.113 176.870 -0.174 0.000 1.006 113 L CA -1.013 53.734 54.840 -0.154 0.000 0.818 113 L CB 2.305 44.255 42.059 -0.182 0.000 1.354 113 L HN -0.121 nan 8.230 nan 0.000 0.415 114 R N 1.964 122.390 120.500 -0.122 0.000 2.437 114 R HA 0.518 4.859 4.340 0.000 0.000 0.310 114 R C -1.093 175.151 176.300 -0.093 0.000 0.955 114 R CA -0.896 55.136 56.100 -0.112 0.000 0.851 114 R CB 2.425 32.679 30.300 -0.076 0.000 1.161 114 R HN 0.440 nan 8.270 nan 0.000 0.446 115 K N 3.436 123.775 120.400 -0.102 0.000 2.203 115 K HA 0.426 4.746 4.320 0.000 0.000 0.251 115 K C -2.428 174.136 176.600 -0.060 0.000 0.944 115 K CA -2.059 54.189 56.287 -0.065 0.000 0.829 115 K CB 2.282 34.749 32.500 -0.054 0.000 1.125 115 K HN 0.307 nan 8.250 nan 0.000 0.430 116 P HA 0.041 nan 4.420 nan 0.000 0.271 116 P C 0.880 178.132 177.300 -0.081 0.000 1.216 116 P CA -0.009 63.066 63.100 -0.043 0.000 0.776 116 P CB 0.319 32.020 31.700 0.002 0.000 0.881 117 I N -0.378 120.093 120.570 -0.166 0.000 2.756 117 I HA -0.051 4.119 4.170 0.000 0.000 0.262 117 I C 0.375 176.313 176.117 -0.299 0.000 1.225 117 I CA 0.908 62.055 61.300 -0.255 0.000 1.472 117 I CB -0.700 37.103 38.000 -0.328 0.000 1.094 117 I HN 0.222 nan 8.210 nan 0.000 0.454 118 H N 2.664 121.726 119.070 -0.014 0.000 2.552 118 H HA 0.780 5.337 4.556 0.000 0.000 0.311 118 H C -0.446 174.873 175.328 -0.015 0.000 1.071 118 H CA -0.381 55.659 56.048 -0.013 0.000 1.307 118 H CB 1.401 31.160 29.762 -0.005 0.000 1.416 118 H HN 0.397 nan 8.280 nan 0.000 0.464 119 A N 3.644 126.520 122.820 0.094 0.000 2.549 119 A HA 0.292 4.612 4.320 0.000 0.000 0.297 119 A C -0.682 176.920 177.584 0.030 0.000 1.061 119 A CA -0.999 51.066 52.037 0.046 0.000 0.690 119 A CB 1.379 20.391 19.000 0.019 0.000 1.287 119 A HN 0.558 nan 8.150 nan 0.000 0.402 120 D N 2.770 123.182 120.400 0.019 0.000 2.449 120 D HA 0.314 4.954 4.640 0.000 0.000 0.236 120 D C -2.038 174.264 176.300 0.004 0.000 1.149 120 D CA 0.172 54.178 54.000 0.010 0.000 0.878 120 D CB 0.440 41.245 40.800 0.009 0.000 1.198 120 D HN 0.353 nan 8.370 nan 0.000 0.446 121 P HA 0.250 nan 4.420 nan 0.000 0.281 121 P C -2.524 174.777 177.300 0.003 0.000 1.249 121 P CA -1.292 61.804 63.100 -0.007 0.000 0.810 121 P CB -0.162 31.531 31.700 -0.012 0.000 1.008 122 P HA -0.014 nan 4.420 nan 0.000 0.266 122 P C 0.352 177.664 177.300 0.019 0.000 1.193 122 P CA 0.218 63.318 63.100 0.000 0.000 0.770 122 P CB 0.151 31.843 31.700 -0.014 0.000 0.836 123 S N 1.640 117.356 115.700 0.027 0.000 2.606 123 S HA 0.061 4.531 4.470 0.000 0.000 0.257 123 S C 1.026 175.682 174.600 0.094 0.000 1.327 123 S CA -0.449 57.791 58.200 0.066 0.000 0.984 123 S CB -0.084 63.154 63.200 0.063 0.000 0.941 123 S HN 0.416 nan 8.310 nan 0.000 0.576 124 F N 1.112 121.061 119.950 -0.003 0.000 2.269 124 F HA 0.054 4.581 4.527 0.000 0.000 0.301 124 F C 2.286 178.084 175.800 -0.003 0.000 1.082 124 F CA 1.306 59.305 58.000 -0.001 0.000 1.360 124 F CB -0.836 38.164 39.000 0.000 0.000 1.041 124 F HN 0.695 nan 8.300 nan 0.000 0.512 125 A N -0.517 122.300 122.820 -0.005 0.000 2.123 125 A HA -0.003 4.317 4.320 0.000 0.000 0.214 125 A C 1.803 179.319 177.584 -0.113 0.000 1.152 125 A CA 0.869 52.855 52.037 -0.085 0.000 0.728 125 A CB -0.574 18.439 19.000 0.022 0.000 0.814 125 A HN 0.495 nan 8.150 nan 0.000 0.464 126 E N 0.379 120.528 120.200 -0.085 0.000 2.445 126 E HA 0.030 4.381 4.350 0.000 0.000 0.189 126 E C -0.280 176.260 176.600 -0.100 0.000 1.069 126 E CA -0.160 56.196 56.400 -0.073 0.000 0.871 126 E CB 0.180 29.856 29.700 -0.039 0.000 0.991 126 E HN 0.458 nan 8.360 nan 0.000 0.481 127 Q N 0.771 120.469 119.800 -0.171 0.000 2.294 127 Q HA 0.192 4.532 4.340 0.000 0.000 0.257 127 Q C -0.540 175.364 176.000 -0.160 0.000 0.955 127 Q CA -0.001 55.695 55.803 -0.179 0.000 0.936 127 Q CB 1.787 30.353 28.738 -0.287 0.000 1.188 127 Q HN -0.052 nan 8.270 nan 0.000 0.420 128 S N 2.177 117.815 115.700 -0.103 0.000 2.530 128 S HA 0.459 4.929 4.470 0.000 0.000 0.322 128 S C -0.392 174.170 174.600 -0.064 0.000 1.085 128 S CA -0.549 57.603 58.200 -0.081 0.000 1.096 128 S CB 0.529 63.694 63.200 -0.058 0.000 0.988 128 S HN 0.559 nan 8.310 nan 0.000 0.466 129 T N 1.939 116.455 114.554 -0.063 0.000 2.907 129 T HA 0.801 5.151 4.350 0.000 0.000 0.284 129 T C -0.182 174.501 174.700 -0.028 0.000 1.004 129 T CA -0.642 61.432 62.100 -0.043 0.000 1.063 129 T CB 1.253 70.095 68.868 -0.043 0.000 0.992 129 T HN 0.863 nan 8.240 nan 0.000 0.483 130 S N -0.131 115.559 115.700 -0.017 0.000 2.567 130 S HA 0.699 5.169 4.470 0.000 0.000 0.270 130 S C -1.069 173.530 174.600 -0.001 0.000 1.152 130 S CA -0.900 57.295 58.200 -0.010 0.000 0.835 130 S CB 1.211 64.406 63.200 -0.008 0.000 1.115 130 S HN 1.562 nan 8.310 nan 0.000 0.459 131 A N 1.246 124.067 122.820 0.002 0.000 3.030 131 A HA 0.682 5.002 4.320 0.000 0.000 0.335 131 A C -0.478 177.114 177.584 0.013 0.000 1.089 131 A CA -0.416 51.626 52.037 0.008 0.000 0.807 131 A CB 0.195 19.197 19.000 0.003 0.000 1.099 131 A HN 0.692 nan 8.150 nan 0.000 0.474 132 E N 1.646 121.859 120.200 0.022 0.000 2.191 132 E HA 0.392 4.742 4.350 0.000 0.000 0.263 132 E C -0.800 175.827 176.600 0.046 0.000 0.881 132 E CA -0.641 55.776 56.400 0.028 0.000 0.757 132 E CB 1.707 31.421 29.700 0.024 0.000 1.147 132 E HN 0.666 nan 8.360 nan 0.000 0.414 133 I N 3.367 123.967 120.570 0.050 0.000 2.618 133 I HA -0.061 4.109 4.170 0.000 0.000 0.284 133 I C 0.137 176.301 176.117 0.079 0.000 1.146 133 I CA -0.038 61.305 61.300 0.071 0.000 1.425 133 I CB 0.108 38.150 38.000 0.070 0.000 1.383 133 I HN 0.266 nan 8.210 nan 0.000 0.562 134 L N 7.353 128.641 121.223 0.108 0.000 2.314 134 L HA 0.305 4.645 4.340 0.000 0.000 0.275 134 L C 0.302 177.231 176.870 0.098 0.000 1.068 134 L CA -0.157 54.752 54.840 0.114 0.000 0.894 134 L CB 0.310 42.462 42.059 0.154 0.000 1.275 134 L HN 0.529 nan 8.230 nan 0.000 0.432 135 E N 1.538 121.778 120.200 0.065 0.000 2.652 135 E HA -0.090 4.260 4.350 0.000 0.000 0.255 135 E C 0.610 177.223 176.600 0.021 0.000 0.952 135 E CA 0.898 57.320 56.400 0.036 0.000 0.947 135 E CB 0.772 30.491 29.700 0.032 0.000 0.912 135 E HN 0.804 nan 8.360 nan 0.000 0.489 136 T N 0.741 115.280 114.554 -0.025 0.000 3.038 136 T HA 0.295 4.645 4.350 0.000 0.000 0.244 136 T C 1.353 176.014 174.700 -0.065 0.000 1.016 136 T CA 0.558 62.629 62.100 -0.048 0.000 1.098 136 T CB 0.496 69.276 68.868 -0.146 0.000 0.954 136 T HN 0.697 nan 8.240 nan 0.000 0.469 137 G N 1.518 110.284 108.800 -0.058 0.000 2.238 137 G HA2 -0.120 3.840 3.960 0.000 0.000 0.217 137 G HA3 -0.120 3.840 3.960 0.000 0.000 0.217 137 G C -0.035 174.840 174.900 -0.042 0.000 0.996 137 G CA -0.144 44.923 45.100 -0.055 0.000 0.632 137 G HN 0.653 nan 8.290 nan 0.000 0.503 138 I N 1.396 121.939 120.570 -0.046 0.000 2.353 138 I HA 0.339 4.509 4.170 0.000 0.000 0.293 138 I C 1.543 177.672 176.117 0.020 0.000 0.992 138 I CA -0.731 60.589 61.300 0.033 0.000 1.268 138 I CB 1.492 39.536 38.000 0.074 0.000 1.387 138 I HN -0.019 nan 8.210 nan 0.000 0.478 139 K N 3.734 124.151 120.400 0.027 0.000 1.978 139 K HA -0.164 4.156 4.320 0.000 0.000 0.214 139 K C 1.899 178.460 176.600 -0.064 0.000 1.049 139 K CA 1.874 58.145 56.287 -0.027 0.000 0.939 139 K CB -0.257 32.228 32.500 -0.025 0.000 0.721 139 K HN 0.690 nan 8.250 nan 0.000 0.441 140 V N -0.362 119.543 119.914 -0.015 0.000 2.278 140 V HA -0.272 3.848 4.120 0.000 0.000 0.251 140 V C 2.201 178.282 176.094 -0.022 0.000 1.062 140 V CA 1.945 64.229 62.300 -0.026 0.000 1.038 140 V CB -1.148 30.711 31.823 0.059 0.000 0.646 140 V HN 0.054 nan 8.190 nan 0.000 0.447 141 V N 0.833 120.752 119.914 0.009 0.000 2.283 141 V HA -0.175 3.945 4.120 0.000 0.000 0.243 141 V C 2.493 178.547 176.094 -0.066 0.000 1.039 141 V CA 2.372 64.636 62.300 -0.061 0.000 1.016 141 V CB -0.852 30.831 31.823 -0.233 0.000 0.650 141 V HN 0.524 nan 8.190 nan 0.000 0.449 142 D N -0.275 120.089 120.400 -0.061 0.000 2.264 142 D HA -0.097 4.543 4.640 0.000 0.000 0.208 142 D C 1.837 178.178 176.300 0.069 0.000 0.966 142 D CA 0.925 54.922 54.000 -0.005 0.000 0.864 142 D CB 0.127 40.914 40.800 -0.021 0.000 0.933 142 D HN 0.357 nan 8.370 nan 0.000 0.499 143 L N -0.268 120.946 121.223 -0.015 0.000 2.189 143 L HA 0.092 4.432 4.340 0.000 0.000 0.199 143 L C 1.884 178.809 176.870 0.092 0.000 1.074 143 L CA 1.231 56.061 54.840 -0.016 0.000 0.783 143 L CB -0.199 41.683 42.059 -0.296 0.000 0.955 143 L HN -0.101 nan 8.230 nan 0.000 0.460 144 L N -0.683 120.526 121.223 -0.024 0.000 2.470 144 L HA 0.397 4.737 4.340 0.000 0.000 0.219 144 L C 0.622 177.491 176.870 -0.001 0.000 1.071 144 L CA 0.462 55.280 54.840 -0.037 0.000 0.850 144 L CB -0.138 41.873 42.059 -0.081 0.000 1.040 144 L HN 0.235 nan 8.230 nan 0.000 0.475 145 A N 0.494 123.332 122.820 0.031 0.000 3.156 145 A HA 0.549 4.869 4.320 0.000 0.000 0.311 145 A C -2.740 174.920 177.584 0.128 0.000 1.129 145 A CA -0.883 51.200 52.037 0.077 0.000 0.809 145 A CB -0.005 19.052 19.000 0.095 0.000 1.257 145 A HN -0.160 nan 8.150 nan 0.000 0.491 146 P HA 0.330 nan 4.420 nan 0.000 0.275 146 P C -0.606 176.868 177.300 0.290 0.000 1.227 146 P CA 0.041 63.214 63.100 0.122 0.000 0.781 146 P CB 0.403 32.156 31.700 0.089 0.000 0.906 147 Y N 0.801 121.145 120.300 0.074 0.000 2.314 147 Y HA 0.465 5.015 4.550 0.000 0.000 0.334 147 Y C 1.036 176.966 175.900 0.050 0.000 1.266 147 Y CA -1.411 56.728 58.100 0.066 0.000 1.391 147 Y CB -0.035 38.477 38.460 0.086 0.000 1.306 147 Y HN 0.358 nan 8.280 nan 0.000 0.558 148 A N 3.631 126.558 122.820 0.179 0.000 2.342 148 A HA 0.580 4.900 4.320 0.000 0.000 0.323 148 A C -0.086 177.540 177.584 0.071 0.000 1.125 148 A CA -1.029 51.066 52.037 0.097 0.000 0.785 148 A CB 0.778 19.811 19.000 0.055 0.000 1.221 148 A HN 0.743 nan 8.150 nan 0.000 0.463 149 R N 0.818 121.358 120.500 0.066 0.000 2.590 149 R HA 0.340 4.680 4.340 0.000 0.000 0.274 149 R C 1.279 177.594 176.300 0.025 0.000 1.061 149 R CA 1.213 57.344 56.100 0.052 0.000 1.081 149 R CB 0.429 30.760 30.300 0.052 0.000 0.984 149 R HN 1.678 nan 8.270 nan 0.000 0.448 150 G N 1.647 110.455 108.800 0.014 0.000 2.189 150 G HA2 -0.277 3.683 3.960 0.000 0.000 0.267 150 G HA3 -0.277 3.683 3.960 0.000 0.000 0.267 150 G C 0.515 175.402 174.900 -0.023 0.000 0.975 150 G CA 0.296 45.392 45.100 -0.006 0.000 0.644 150 G HN 0.867 nan 8.290 nan 0.000 0.537 151 G N -0.521 108.266 108.800 -0.022 0.000 2.504 151 G HA2 0.578 4.539 3.960 0.000 0.000 0.288 151 G HA3 0.578 4.539 3.960 0.000 0.000 0.288 151 G C -0.184 174.670 174.900 -0.076 0.000 1.182 151 G CA -0.541 44.538 45.100 -0.035 0.000 0.894 151 G HN 0.392 nan 8.290 nan 0.000 0.521 152 K N -0.042 120.312 120.400 -0.076 0.000 2.185 152 K HA 0.518 4.838 4.320 0.000 0.000 0.269 152 K C -0.814 175.702 176.600 -0.140 0.000 0.987 152 K CA -0.243 55.982 56.287 -0.103 0.000 0.865 152 K CB 1.958 34.420 32.500 -0.062 0.000 1.090 152 K HN 0.286 nan 8.250 nan 0.000 0.450 153 I N 1.075 121.522 120.570 -0.206 0.000 2.545 153 I HA 0.388 4.558 4.170 0.000 0.000 0.292 153 I C 0.044 176.049 176.117 -0.187 0.000 1.040 153 I CA -0.699 60.416 61.300 -0.309 0.000 1.068 153 I CB 2.345 39.966 38.000 -0.632 0.000 1.251 153 I HN 0.632 nan 8.210 nan 0.000 0.424 154 G N 6.021 114.763 108.800 -0.095 0.000 2.530 154 G HA2 0.737 4.697 3.960 0.000 0.000 0.316 154 G HA3 0.737 4.697 3.960 0.000 0.000 0.316 154 G C -1.231 173.710 174.900 0.068 0.000 1.298 154 G CA -0.477 44.613 45.100 -0.017 0.000 0.948 154 G HN 0.429 nan 8.290 nan 0.000 0.486 155 L N 2.273 123.472 121.223 -0.039 0.000 2.301 155 L HA 0.423 4.763 4.340 0.000 0.000 0.278 155 L C -0.923 175.923 176.870 -0.040 0.000 1.022 155 L CA -0.599 54.242 54.840 0.002 0.000 0.854 155 L CB 0.911 42.960 42.059 -0.018 0.000 1.226 155 L HN 0.349 nan 8.230 nan 0.000 0.429 156 F N 1.738 121.617 119.950 -0.119 0.000 2.410 156 F HA 0.721 5.248 4.527 0.000 0.000 0.349 156 F C 0.914 176.657 175.800 -0.095 0.000 1.117 156 F CA -0.666 57.260 58.000 -0.123 0.000 1.104 156 F CB 1.764 40.686 39.000 -0.131 0.000 1.122 156 F HN 0.352 nan 8.300 nan 0.000 0.483 157 G N 1.145 109.946 108.800 0.001 0.000 2.742 157 G HA2 0.524 4.485 3.960 0.000 0.000 0.296 157 G HA3 0.524 4.485 3.960 0.000 0.000 0.296 157 G C -0.582 174.195 174.900 -0.205 0.000 1.436 157 G CA -0.536 44.540 45.100 -0.040 0.000 0.928 157 G HN 0.906 nan 8.290 nan 0.000 0.520 158 G N -0.449 108.225 108.800 -0.210 0.000 2.588 158 G HA2 0.635 4.595 3.960 0.000 0.000 0.278 158 G HA3 0.635 4.595 3.960 0.000 0.000 0.278 158 G C 0.746 175.577 174.900 -0.116 0.000 1.307 158 G CA 0.300 45.200 45.100 -0.334 0.000 1.016 158 G HN 1.599 nan 8.290 nan 0.000 0.503 159 A N -1.175 121.650 122.820 0.008 0.000 2.537 159 A HA 0.495 4.815 4.320 0.000 0.000 0.260 159 A C 1.519 179.162 177.584 0.098 0.000 1.082 159 A CA 1.169 53.311 52.037 0.175 0.000 0.765 159 A CB -0.891 18.225 19.000 0.193 0.000 1.019 159 A HN 2.559 nan 8.150 nan 0.000 0.507 160 G N 0.957 109.822 108.800 0.109 0.000 2.137 160 G HA2 -0.179 3.781 3.960 0.000 0.000 0.237 160 G HA3 -0.179 3.781 3.960 0.000 0.000 0.237 160 G C 0.712 175.667 174.900 0.091 0.000 1.002 160 G CA 0.717 45.866 45.100 0.082 0.000 0.702 160 G HN 2.049 nan 8.290 nan 0.000 0.515 161 V N -3.498 116.476 119.914 0.099 0.000 2.992 161 V HA 0.638 4.758 4.120 0.000 0.000 0.250 161 V C 1.790 178.005 176.094 0.202 0.000 1.090 161 V CA 1.551 63.926 62.300 0.125 0.000 1.101 161 V CB 0.326 32.189 31.823 0.066 0.000 0.743 161 V HN 2.057 nan 8.190 nan 0.000 0.468 162 G N -0.072 108.835 108.800 0.178 0.000 2.407 162 G HA2 -0.098 3.862 3.960 0.000 0.000 0.210 162 G HA3 -0.098 3.862 3.960 0.000 0.000 0.210 162 G C 0.535 175.596 174.900 0.268 0.000 1.015 162 G CA 0.135 45.372 45.100 0.229 0.000 0.807 162 G HN 0.354 nan 8.290 nan 0.000 0.539 163 K N 0.071 120.591 120.400 0.201 0.000 2.026 163 K HA -0.059 4.261 4.320 0.000 0.000 0.208 163 K C 2.494 179.239 176.600 0.241 0.000 1.048 163 K CA 1.905 58.311 56.287 0.199 0.000 0.929 163 K CB -0.214 32.370 32.500 0.140 0.000 0.713 163 K HN 0.283 nan 8.250 nan 0.000 0.439 164 T N 1.037 115.715 114.554 0.206 0.000 2.777 164 T HA -0.086 4.264 4.350 0.000 0.000 0.266 164 T C 2.067 176.889 174.700 0.204 0.000 1.040 164 T CA 1.050 63.270 62.100 0.200 0.000 1.141 164 T CB -0.148 68.816 68.868 0.160 0.000 0.868 164 T HN -0.056 nan 8.240 nan 0.000 0.444 165 V N 0.584 120.625 119.914 0.212 0.000 2.453 165 V HA -0.044 4.076 4.120 0.000 0.000 0.247 165 V C 1.977 178.239 176.094 0.280 0.000 1.048 165 V CA 1.215 63.643 62.300 0.213 0.000 1.049 165 V CB -0.680 31.250 31.823 0.178 0.000 0.672 165 V HN 0.346 nan 8.190 nan 0.000 0.457 166 F N 0.143 120.242 119.950 0.248 0.000 2.075 166 F HA -0.173 4.354 4.527 0.000 0.000 0.297 166 F C 2.189 178.089 175.800 0.166 0.000 1.113 166 F CA 1.738 59.906 58.000 0.280 0.000 1.218 166 F CB -0.183 38.994 39.000 0.294 0.000 0.984 166 F HN 0.001 nan 8.300 nan 0.000 0.472 167 I N -0.134 120.683 120.570 0.411 0.000 2.118 167 I HA -0.413 3.757 4.170 0.000 0.000 0.241 167 I C 2.413 178.586 176.117 0.092 0.000 1.070 167 I CA 1.687 63.162 61.300 0.291 0.000 1.327 167 I CB -0.466 37.721 38.000 0.310 0.000 1.034 167 I HN 0.288 nan 8.210 nan 0.000 0.405 168 Q N -0.118 119.716 119.800 0.056 0.000 2.077 168 Q HA -0.316 4.024 4.340 0.000 0.000 0.206 168 Q C 2.085 178.012 176.000 -0.121 0.000 0.989 168 Q CA 2.140 57.913 55.803 -0.050 0.000 0.853 168 Q CB -0.148 28.584 28.738 -0.010 0.000 0.907 168 Q HN 0.384 nan 8.270 nan 0.000 0.418 169 E N 0.609 120.706 120.200 -0.171 0.000 2.106 169 E HA -0.134 4.216 4.350 0.000 0.000 0.192 169 E C 1.780 178.187 176.600 -0.321 0.000 0.984 169 E CA 0.738 56.914 56.400 -0.373 0.000 0.806 169 E CB -0.122 29.063 29.700 -0.858 0.000 0.750 169 E HN 0.270 nan 8.360 nan 0.000 0.458 170 L N 0.018 121.129 121.223 -0.186 0.000 2.017 170 L HA -0.169 4.171 4.340 0.000 0.000 0.208 170 L C 2.432 179.301 176.870 -0.002 0.000 1.073 170 L CA 1.150 55.985 54.840 -0.007 0.000 0.745 170 L CB -0.350 41.864 42.059 0.259 0.000 0.894 170 L HN 0.249 nan 8.230 nan 0.000 0.432 171 I N -0.160 120.330 120.570 -0.132 0.000 2.151 171 I HA -0.367 3.803 4.170 0.000 0.000 0.243 171 I C 2.232 178.260 176.117 -0.149 0.000 1.080 171 I CA 1.551 62.671 61.300 -0.300 0.000 1.339 171 I CB -0.321 37.382 38.000 -0.496 0.000 1.039 171 I HN 0.350 nan 8.210 nan 0.000 0.409 172 N N 0.949 119.563 118.700 -0.144 0.000 2.043 172 N HA -0.190 4.550 4.740 0.000 0.000 0.193 172 N C 1.555 177.016 175.510 -0.080 0.000 1.037 172 N CA 1.606 54.587 53.050 -0.115 0.000 0.851 172 N CB -0.128 38.277 38.487 -0.136 0.000 1.027 172 N HN 0.242 nan 8.380 nan 0.000 0.422 173 N N -0.209 118.437 118.700 -0.090 0.000 2.188 173 N HA -0.045 4.695 4.740 0.000 0.000 0.184 173 N C 1.548 177.060 175.510 0.003 0.000 1.018 173 N CA 0.975 53.990 53.050 -0.058 0.000 0.858 173 N CB 0.011 38.445 38.487 -0.089 0.000 0.989 173 N HN 0.412 nan 8.380 nan 0.000 0.426 174 I N 0.148 120.745 120.570 0.045 0.000 2.899 174 I HA 0.098 4.268 4.170 0.000 0.000 0.257 174 I C 2.139 178.343 176.117 0.145 0.000 1.115 174 I CA 0.357 61.728 61.300 0.118 0.000 1.451 174 I CB -0.298 37.811 38.000 0.183 0.000 1.251 174 I HN -0.080 nan 8.210 nan 0.000 0.456 175 A N 1.072 123.971 122.820 0.131 0.000 2.067 175 A HA -0.141 4.179 4.320 0.000 0.000 0.219 175 A C 2.172 179.812 177.584 0.094 0.000 1.158 175 A CA 1.352 53.466 52.037 0.129 0.000 0.661 175 A CB -0.467 18.596 19.000 0.104 0.000 0.801 175 A HN 0.326 nan 8.150 nan 0.000 0.452 176 K N -0.588 119.843 120.400 0.052 0.000 2.217 176 K HA 0.085 4.405 4.320 0.000 0.000 0.202 176 K C 1.423 178.049 176.600 0.043 0.000 1.051 176 K CA 0.993 57.300 56.287 0.032 0.000 0.952 176 K CB -0.066 32.436 32.500 0.003 0.000 0.736 176 K HN 0.392 nan 8.250 nan 0.000 0.453 177 A N 0.042 122.899 122.820 0.062 0.000 2.535 177 A HA 0.074 4.394 4.320 0.000 0.000 0.273 177 A C 1.054 178.673 177.584 0.059 0.000 1.267 177 A CA -0.080 51.983 52.037 0.044 0.000 0.940 177 A CB -0.278 18.740 19.000 0.029 0.000 1.101 177 A HN 0.231 nan 8.150 nan 0.000 0.521 178 H N -0.729 118.340 119.070 -0.002 0.000 2.497 178 H HA 0.253 4.809 4.556 0.000 0.000 0.282 178 H C 1.874 177.169 175.328 -0.054 0.000 1.003 178 H CA 1.868 57.910 56.048 -0.011 0.000 1.307 178 H CB 0.272 30.044 29.762 0.016 0.000 1.437 178 H HN 0.537 nan 8.280 nan 0.000 0.544 179 G N -0.656 108.118 108.800 -0.044 0.000 2.507 179 G HA2 -0.337 3.623 3.960 0.000 0.000 0.240 179 G HA3 -0.337 3.623 3.960 0.000 0.000 0.240 179 G C 1.047 175.828 174.900 -0.199 0.000 1.119 179 G CA 0.720 45.742 45.100 -0.130 0.000 0.664 179 G HN 0.840 nan 8.290 nan 0.000 0.516 180 G N -0.442 108.277 108.800 -0.135 0.000 2.494 180 G HA2 0.564 4.524 3.960 0.000 0.000 0.270 180 G HA3 0.564 4.524 3.960 0.000 0.000 0.270 180 G C -0.345 174.418 174.900 -0.228 0.000 1.423 180 G CA -0.435 44.528 45.100 -0.229 0.000 1.055 180 G HN 0.353 nan 8.290 nan 0.000 0.536 181 F N -0.507 119.436 119.950 -0.011 0.000 2.425 181 F HA 0.593 5.120 4.527 0.000 0.000 0.331 181 F C 0.687 176.372 175.800 -0.192 0.000 1.085 181 F CA -0.742 57.133 58.000 -0.208 0.000 1.028 181 F CB 2.074 40.701 39.000 -0.621 0.000 1.177 181 F HN 0.131 nan 8.300 nan 0.000 0.487 182 S N 1.060 116.805 115.700 0.075 0.000 2.537 182 S HA 0.762 5.232 4.470 0.000 0.000 0.301 182 S C -0.923 173.720 174.600 0.072 0.000 1.092 182 S CA -0.737 57.514 58.200 0.085 0.000 1.048 182 S CB 2.042 65.371 63.200 0.215 0.000 1.053 182 S HN 0.298 nan 8.310 nan 0.000 0.501 183 V N 3.166 123.144 119.914 0.107 0.000 2.487 183 V HA 0.494 4.614 4.120 0.000 0.000 0.298 183 V C -1.080 175.132 176.094 0.196 0.000 1.028 183 V CA -0.669 61.700 62.300 0.116 0.000 0.860 183 V CB 1.264 33.132 31.823 0.076 0.000 0.991 183 V HN 0.830 nan 8.190 nan 0.000 0.427 184 F N 3.681 123.652 119.950 0.035 0.000 2.436 184 F HA 0.695 5.222 4.527 0.000 0.000 0.340 184 F C 0.275 175.952 175.800 -0.204 0.000 1.113 184 F CA -0.032 57.962 58.000 -0.011 0.000 1.022 184 F CB 1.749 40.723 39.000 -0.043 0.000 1.128 184 F HN 0.479 nan 8.300 nan 0.000 0.466 185 T N 4.462 118.574 114.554 -0.738 0.000 2.809 185 T HA 0.510 4.860 4.350 0.000 0.000 0.284 185 T C -0.004 174.282 174.700 -0.690 0.000 0.992 185 T CA -0.685 61.076 62.100 -0.565 0.000 0.957 185 T CB 1.315 69.973 68.868 -0.350 0.000 0.942 185 T HN 0.871 nan 8.240 nan 0.000 0.439 186 G N 1.949 110.478 108.800 -0.452 0.000 2.475 186 G HA2 0.515 4.475 3.960 0.000 0.000 0.322 186 G HA3 0.515 4.475 3.960 0.000 0.000 0.322 186 G C -0.470 174.452 174.900 0.036 0.000 1.044 186 G CA -0.429 44.651 45.100 -0.033 0.000 1.047 186 G HN 0.673 nan 8.290 nan 0.000 0.436 187 V N 2.659 122.572 119.914 -0.001 0.000 2.311 187 V HA 0.584 4.705 4.120 0.000 0.000 0.275 187 V C 1.161 177.292 176.094 0.063 0.000 1.022 187 V CA 0.361 62.677 62.300 0.027 0.000 0.830 187 V CB 0.695 32.515 31.823 -0.004 0.000 1.012 187 V HN 1.292 nan 8.190 nan 0.000 0.452 188 G N 3.520 112.366 108.800 0.077 0.000 2.273 188 G HA2 -0.174 3.786 3.960 0.000 0.000 0.280 188 G HA3 -0.174 3.786 3.960 0.000 0.000 0.280 188 G C 0.022 174.963 174.900 0.068 0.000 1.047 188 G CA 0.160 45.296 45.100 0.059 0.000 0.869 188 G HN 0.578 nan 8.290 nan 0.000 0.502 189 E N -0.828 119.439 120.200 0.111 0.000 2.469 189 E HA 0.499 4.850 4.350 0.000 0.000 0.246 189 E C 0.884 177.547 176.600 0.106 0.000 0.969 189 E CA -1.095 55.375 56.400 0.118 0.000 0.881 189 E CB 0.637 30.445 29.700 0.181 0.000 1.320 189 E HN 0.397 nan 8.360 nan 0.000 0.421 190 R N 0.128 120.686 120.500 0.097 0.000 2.489 190 R HA 0.122 4.462 4.340 0.000 0.000 0.287 190 R C 1.145 177.478 176.300 0.055 0.000 1.053 190 R CA 0.244 56.383 56.100 0.065 0.000 1.036 190 R CB 0.158 30.493 30.300 0.058 0.000 0.966 190 R HN 0.400 nan 8.270 nan 0.000 0.432 191 T N 2.312 116.873 114.554 0.011 0.000 2.788 191 T HA -0.163 4.188 4.350 0.000 0.000 0.268 191 T C 1.804 176.455 174.700 -0.080 0.000 1.044 191 T CA 1.061 63.126 62.100 -0.058 0.000 1.139 191 T CB -0.137 68.697 68.868 -0.058 0.000 0.867 191 T HN 0.533 nan 8.240 nan 0.000 0.454 192 R N 1.362 121.843 120.500 -0.032 0.000 2.133 192 R HA -0.185 4.155 4.340 0.000 0.000 0.247 192 R C 1.897 178.185 176.300 -0.020 0.000 1.151 192 R CA 1.833 57.920 56.100 -0.022 0.000 0.971 192 R CB -0.221 30.081 30.300 0.004 0.000 0.866 192 R HN 0.522 nan 8.270 nan 0.000 0.447 193 E N -1.029 119.175 120.200 0.006 0.000 2.152 193 E HA -0.070 4.280 4.350 0.000 0.000 0.192 193 E C 1.884 178.482 176.600 -0.003 0.000 0.983 193 E CA 0.786 57.206 56.400 0.034 0.000 0.818 193 E CB -0.150 29.613 29.700 0.105 0.000 0.758 193 E HN 0.591 nan 8.360 nan 0.000 0.467 194 G N 1.965 110.698 108.800 -0.112 0.000 2.480 194 G HA2 -0.349 3.611 3.960 0.000 0.000 0.216 194 G HA3 -0.349 3.611 3.960 0.000 0.000 0.216 194 G C 1.462 176.203 174.900 -0.264 0.000 1.200 194 G CA 0.821 45.647 45.100 -0.457 0.000 0.782 194 G HN 0.180 nan 8.290 nan 0.000 0.554 195 N N 1.107 119.690 118.700 -0.194 0.000 2.037 195 N HA -0.161 4.580 4.740 0.000 0.000 0.196 195 N C 1.782 177.291 175.510 -0.002 0.000 1.034 195 N CA 1.882 54.895 53.050 -0.061 0.000 0.861 195 N CB -0.361 38.094 38.487 -0.053 0.000 1.039 195 N HN 0.189 nan 8.380 nan 0.000 0.427 196 D N 0.809 121.196 120.400 -0.022 0.000 2.104 196 D HA -0.170 4.470 4.640 0.000 0.000 0.194 196 D C 2.059 178.344 176.300 -0.025 0.000 0.994 196 D CA 0.629 54.618 54.000 -0.017 0.000 0.830 196 D CB -0.518 40.277 40.800 -0.009 0.000 0.959 196 D HN 0.275 nan 8.370 nan 0.000 0.452 197 L N -0.102 121.101 121.223 -0.034 0.000 2.046 197 L HA -0.197 4.143 4.340 0.000 0.000 0.208 197 L C 2.302 179.180 176.870 0.013 0.000 1.077 197 L CA 1.441 56.242 54.840 -0.065 0.000 0.747 197 L CB -0.636 41.329 42.059 -0.157 0.000 0.896 197 L HN -0.008 nan 8.230 nan 0.000 0.432 198 Y N 0.623 120.878 120.300 -0.075 0.000 2.128 198 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 198 Y C 2.703 178.577 175.900 -0.045 0.000 1.154 198 Y CA 1.881 59.956 58.100 -0.043 0.000 1.149 198 Y CB -0.311 38.117 38.460 -0.054 0.000 0.976 198 Y HN 0.152 nan 8.280 nan 0.000 0.505 199 R N -0.352 120.082 120.500 -0.110 0.000 2.148 199 R HA -0.168 4.172 4.340 0.000 0.000 0.227 199 R C 2.115 178.322 176.300 -0.154 0.000 1.103 199 R CA 1.357 57.344 56.100 -0.188 0.000 0.983 199 R CB -0.171 30.074 30.300 -0.092 0.000 0.874 199 R HN 0.310 nan 8.270 nan 0.000 0.451 200 E N 0.766 120.902 120.200 -0.107 0.000 2.046 200 E HA -0.105 4.245 4.350 0.000 0.000 0.190 200 E C 1.813 178.353 176.600 -0.101 0.000 0.982 200 E CA 1.286 57.630 56.400 -0.093 0.000 0.800 200 E CB 0.047 29.697 29.700 -0.082 0.000 0.756 200 E HN 0.097 nan 8.360 nan 0.000 0.449 201 M N 0.218 119.758 119.600 -0.100 0.000 2.358 201 M HA -0.121 4.359 4.480 0.000 0.000 0.264 201 M C 1.840 178.078 176.300 -0.104 0.000 1.064 201 M CA 1.300 56.552 55.300 -0.080 0.000 1.093 201 M CB -0.475 32.107 32.600 -0.030 0.000 1.401 201 M HN 0.051 nan 8.290 nan 0.000 0.440 202 K N 0.364 120.661 120.400 -0.172 0.000 2.062 202 K HA -0.117 4.203 4.320 0.000 0.000 0.205 202 K C 1.953 178.486 176.600 -0.112 0.000 1.051 202 K CA 1.081 57.263 56.287 -0.175 0.000 0.941 202 K CB 0.036 32.374 32.500 -0.270 0.000 0.719 202 K HN 0.167 nan 8.250 nan 0.000 0.440 203 E N 0.027 120.166 120.200 -0.101 0.000 2.028 203 E HA -0.131 4.219 4.350 0.000 0.000 0.191 203 E C 1.895 178.461 176.600 -0.058 0.000 0.988 203 E CA 1.918 58.274 56.400 -0.073 0.000 0.799 203 E CB -0.160 29.499 29.700 -0.068 0.000 0.755 203 E HN 0.393 nan 8.360 nan 0.000 0.447 204 T N -2.664 111.855 114.554 -0.058 0.000 3.163 204 T HA 0.074 4.424 4.350 0.000 0.000 0.260 204 T C 1.553 176.232 174.700 -0.034 0.000 1.156 204 T CA 0.591 62.665 62.100 -0.045 0.000 1.072 204 T CB -0.241 68.598 68.868 -0.048 0.000 0.937 204 T HN 0.326 nan 8.240 nan 0.000 0.528 205 G N 0.508 109.285 108.800 -0.039 0.000 2.168 205 G HA2 -0.295 3.665 3.960 0.000 0.000 0.257 205 G HA3 -0.295 3.665 3.960 0.000 0.000 0.257 205 G C 0.776 175.671 174.900 -0.008 0.000 0.997 205 G CA 0.281 45.365 45.100 -0.025 0.000 0.708 205 G HN 0.630 nan 8.290 nan 0.000 0.520 206 V N -0.495 119.415 119.914 -0.007 0.000 2.719 206 V HA 0.258 4.378 4.120 0.000 0.000 0.252 206 V C 1.529 177.643 176.094 0.032 0.000 1.065 206 V CA 1.353 63.663 62.300 0.017 0.000 1.086 206 V CB -0.058 31.772 31.823 0.013 0.000 0.700 206 V HN 0.494 nan 8.190 nan 0.000 0.467 207 I N 0.865 121.442 120.570 0.013 0.000 2.404 207 I HA 0.388 4.558 4.170 0.000 0.000 0.293 207 I C -0.540 175.573 176.117 -0.006 0.000 0.992 207 I CA -0.185 61.130 61.300 0.026 0.000 1.149 207 I CB 1.651 39.678 38.000 0.045 0.000 1.315 207 I HN 0.096 nan 8.210 nan 0.000 0.446 208 N N 5.210 123.919 118.700 0.014 0.000 2.549 208 N HA 0.374 5.114 4.740 0.000 0.000 0.281 208 N C 0.548 176.067 175.510 0.014 0.000 1.084 208 N CA -0.434 52.617 53.050 0.002 0.000 0.862 208 N CB 1.435 39.928 38.487 0.010 0.000 1.333 208 N HN 0.513 nan 8.380 nan 0.000 0.523 209 L N 1.338 122.563 121.223 0.003 0.000 2.046 209 L HA -0.092 4.248 4.340 0.000 0.000 0.208 209 L C 1.597 178.479 176.870 0.020 0.000 1.077 209 L CA 1.288 56.140 54.840 0.020 0.000 0.747 209 L CB -0.112 41.954 42.059 0.012 0.000 0.896 209 L HN 0.580 nan 8.230 nan 0.000 0.432 210 E N -0.084 120.122 120.200 0.010 0.000 2.107 210 E HA -0.031 4.319 4.350 0.000 0.000 0.191 210 E C 1.447 178.057 176.600 0.016 0.000 0.982 210 E CA 0.983 57.390 56.400 0.011 0.000 0.809 210 E CB -0.093 29.610 29.700 0.005 0.000 0.756 210 E HN 0.458 nan 8.360 nan 0.000 0.459 211 G N -0.552 108.259 108.800 0.017 0.000 3.182 211 G HA2 0.318 4.278 3.960 0.000 0.000 0.167 211 G HA3 0.318 4.278 3.960 0.000 0.000 0.167 211 G C -0.551 174.369 174.900 0.034 0.000 1.537 211 G CA -0.421 44.693 45.100 0.023 0.000 1.046 211 G HN -0.006 nan 8.290 nan 0.000 0.580 212 E N -0.943 119.282 120.200 0.041 0.000 2.249 212 E HA 0.683 5.033 4.350 0.000 0.000 0.263 212 E C -0.767 175.875 176.600 0.069 0.000 0.950 212 E CA -0.489 55.947 56.400 0.059 0.000 0.827 212 E CB 2.076 31.816 29.700 0.067 0.000 1.220 212 E HN 0.303 nan 8.360 nan 0.000 0.411 213 S N 0.434 116.188 115.700 0.091 0.000 2.599 213 S HA 0.484 4.954 4.470 0.000 0.000 0.287 213 S C -0.043 174.655 174.600 0.162 0.000 1.105 213 S CA -0.951 57.307 58.200 0.097 0.000 0.899 213 S CB 1.545 64.788 63.200 0.072 0.000 1.100 213 S HN 0.394 nan 8.310 nan 0.000 0.482 214 K N 0.389 120.887 120.400 0.163 0.000 2.483 214 K HA 0.407 4.727 4.320 0.000 0.000 0.206 214 K C -0.856 175.867 176.600 0.205 0.000 1.086 214 K CA 0.177 56.627 56.287 0.273 0.000 1.052 214 K CB 1.409 34.014 32.500 0.174 0.000 0.904 214 K HN 0.339 nan 8.250 nan 0.000 0.557 215 V N 0.125 120.098 119.914 0.099 0.000 2.969 215 V HA 0.708 4.828 4.120 0.000 0.000 0.304 215 V C -1.948 174.180 176.094 0.058 0.000 1.192 215 V CA -0.682 61.660 62.300 0.070 0.000 0.962 215 V CB 1.922 33.806 31.823 0.101 0.000 1.045 215 V HN 0.111 nan 8.190 nan 0.000 0.428 216 A N 6.501 129.354 122.820 0.055 0.000 2.325 216 A HA 0.948 5.268 4.320 0.000 0.000 0.333 216 A C -1.158 176.489 177.584 0.106 0.000 1.155 216 A CA -0.727 51.360 52.037 0.083 0.000 0.814 216 A CB 1.315 20.372 19.000 0.096 0.000 1.206 216 A HN 0.978 nan 8.150 nan 0.000 0.482 217 L N 1.947 123.234 121.223 0.107 0.000 2.341 217 L HA 0.631 4.971 4.340 0.000 0.000 0.278 217 L C -1.069 175.810 176.870 0.015 0.000 1.005 217 L CA -0.913 53.978 54.840 0.086 0.000 0.818 217 L CB 1.919 44.123 42.059 0.242 0.000 1.259 217 L HN 0.401 nan 8.230 nan 0.000 0.418 218 V N 3.070 122.882 119.914 -0.170 0.000 2.483 218 V HA 0.494 4.614 4.120 0.000 0.000 0.297 218 V C -0.842 175.059 176.094 -0.322 0.000 1.027 218 V CA -0.420 61.800 62.300 -0.133 0.000 0.855 218 V CB 1.714 33.477 31.823 -0.100 0.000 0.995 218 V HN 0.401 nan 8.190 nan 0.000 0.424 219 F N 2.010 121.990 119.950 0.050 0.000 2.520 219 F HA 0.796 5.323 4.527 0.000 0.000 0.322 219 F C 0.673 176.489 175.800 0.027 0.000 1.103 219 F CA -0.603 57.431 58.000 0.056 0.000 0.926 219 F CB 2.587 41.617 39.000 0.050 0.000 1.154 219 F HN 0.552 nan 8.300 nan 0.000 0.453 220 G N 3.620 112.548 108.800 0.212 0.000 3.703 220 G HA2 0.331 4.291 3.960 0.000 0.000 0.311 220 G HA3 0.331 4.291 3.960 0.000 0.000 0.311 220 G C -0.812 174.167 174.900 0.132 0.000 1.430 220 G CA -0.475 44.703 45.100 0.130 0.000 0.785 220 G HN 0.305 nan 8.290 nan 0.000 0.491 221 Q N 0.779 120.668 119.800 0.148 0.000 2.272 221 Q HA 0.246 4.586 4.340 0.000 0.000 0.192 221 Q C 1.862 177.906 176.000 0.073 0.000 1.059 221 Q CA -0.614 55.267 55.803 0.130 0.000 1.084 221 Q CB 0.678 29.493 28.738 0.128 0.000 1.139 221 Q HN 0.723 nan 8.270 nan 0.000 0.593 222 M N -0.176 119.459 119.600 0.059 0.000 2.696 222 M HA 0.062 4.542 4.480 0.000 0.000 0.220 222 M C 0.352 176.665 176.300 0.021 0.000 1.133 222 M CA 0.681 56.000 55.300 0.032 0.000 1.016 222 M CB -0.200 32.414 32.600 0.024 0.000 1.740 222 M HN 0.341 nan 8.290 nan 0.000 0.502 223 N N -0.367 118.347 118.700 0.024 0.000 2.250 223 N HA 0.081 4.821 4.740 0.000 0.000 0.190 223 N C -0.362 175.157 175.510 0.015 0.000 1.116 223 N CA 0.010 53.069 53.050 0.015 0.000 0.881 223 N CB 0.020 38.513 38.487 0.010 0.000 1.006 223 N HN 0.437 nan 8.380 nan 0.000 0.491 224 E N 2.048 122.261 120.200 0.021 0.000 2.331 224 E HA 0.315 4.665 4.350 0.000 0.000 0.272 224 E C -2.266 174.342 176.600 0.014 0.000 1.036 224 E CA -1.809 54.603 56.400 0.020 0.000 0.864 224 E CB 0.639 30.358 29.700 0.031 0.000 1.035 224 E HN 0.146 nan 8.360 nan 0.000 0.408 225 P HA -0.054 nan 4.420 nan 0.000 0.267 225 P C -1.706 175.595 177.300 0.003 0.000 1.201 225 P CA -0.712 62.391 63.100 0.005 0.000 0.775 225 P CB 0.047 31.751 31.700 0.007 0.000 0.854 226 P HA -0.209 nan 4.420 nan 0.000 0.216 226 P C 1.468 178.761 177.300 -0.012 0.000 1.150 226 P CA 2.073 65.162 63.100 -0.019 0.000 0.843 226 P CB -0.528 31.154 31.700 -0.030 0.000 0.787 227 G N 0.695 109.495 108.800 0.000 0.000 2.446 227 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 227 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 227 G C 1.872 176.788 174.900 0.027 0.000 1.168 227 G CA 1.304 46.413 45.100 0.014 0.000 0.771 227 G HN 0.380 nan 8.290 nan 0.000 0.551 228 A N 0.555 123.389 122.820 0.023 0.000 1.902 228 A HA -0.018 4.302 4.320 0.000 0.000 0.217 228 A C 2.449 180.055 177.584 0.036 0.000 1.181 228 A CA 1.688 53.742 52.037 0.029 0.000 0.623 228 A CB -0.369 18.647 19.000 0.027 0.000 0.818 228 A HN 0.367 nan 8.150 nan 0.000 0.443 229 R N -0.823 119.694 120.500 0.029 0.000 2.115 229 R HA 0.025 4.365 4.340 0.000 0.000 0.226 229 R C 2.383 178.720 176.300 0.061 0.000 1.100 229 R CA 0.970 57.091 56.100 0.034 0.000 0.980 229 R CB -0.332 29.974 30.300 0.009 0.000 0.875 229 R HN 0.509 nan 8.270 nan 0.000 0.445 230 A N 0.721 123.568 122.820 0.045 0.000 2.015 230 A HA -0.073 4.247 4.320 0.000 0.000 0.219 230 A C 1.897 179.619 177.584 0.229 0.000 1.163 230 A CA 1.015 53.098 52.037 0.076 0.000 0.646 230 A CB -0.012 18.975 19.000 -0.022 0.000 0.806 230 A HN 0.064 nan 8.150 nan 0.000 0.448 231 R N -1.440 119.140 120.500 0.132 0.000 2.225 231 R HA 0.110 4.450 4.340 0.000 0.000 0.194 231 R C 1.937 178.258 176.300 0.035 0.000 0.957 231 R CA 0.966 57.127 56.100 0.101 0.000 1.042 231 R CB -1.065 29.272 30.300 0.061 0.000 1.004 231 R HN 0.378 nan 8.270 nan 0.000 0.509 232 V N 1.637 121.571 119.914 0.032 0.000 2.490 232 V HA -0.176 3.944 4.120 0.000 0.000 0.250 232 V C 2.156 178.221 176.094 -0.047 0.000 1.061 232 V CA 1.966 64.262 62.300 -0.006 0.000 1.064 232 V CB -0.414 31.416 31.823 0.012 0.000 0.670 232 V HN 0.293 nan 8.190 nan 0.000 0.461 233 A N -0.069 122.721 122.820 -0.049 0.000 1.940 233 A HA -0.153 4.167 4.320 0.000 0.000 0.219 233 A C 2.090 179.583 177.584 -0.151 0.000 1.176 233 A CA 2.096 54.056 52.037 -0.128 0.000 0.631 233 A CB -0.541 18.347 19.000 -0.186 0.000 0.814 233 A HN 0.604 nan 8.150 nan 0.000 0.446 234 L N -1.153 119.992 121.223 -0.130 0.000 2.217 234 L HA -0.103 4.237 4.340 0.000 0.000 0.211 234 L C 2.595 179.390 176.870 -0.125 0.000 1.107 234 L CA 1.446 56.203 54.840 -0.137 0.000 0.783 234 L CB -0.959 41.022 42.059 -0.129 0.000 0.919 234 L HN 0.296 nan 8.230 nan 0.000 0.442 235 T N 0.034 114.523 114.554 -0.108 0.000 2.812 235 T HA -0.075 4.275 4.350 0.000 0.000 0.264 235 T C 1.900 176.554 174.700 -0.075 0.000 1.042 235 T CA 1.373 63.418 62.100 -0.092 0.000 1.140 235 T CB -0.306 68.520 68.868 -0.070 0.000 0.870 235 T HN 0.541 nan 8.240 nan 0.000 0.445 236 G N 1.369 110.119 108.800 -0.084 0.000 2.422 236 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 236 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 236 G C 1.533 176.402 174.900 -0.052 0.000 1.146 236 G CA 0.860 45.915 45.100 -0.074 0.000 0.769 236 G HN 0.461 nan 8.290 nan 0.000 0.547 237 L N 0.878 122.054 121.223 -0.079 0.000 2.109 237 L HA 0.082 4.423 4.340 0.000 0.000 0.207 237 L C 2.726 179.575 176.870 -0.035 0.000 1.086 237 L CA 2.423 57.221 54.840 -0.069 0.000 0.760 237 L CB -0.769 41.224 42.059 -0.111 0.000 0.910 237 L HN 0.137 nan 8.230 nan 0.000 0.437 238 T N -0.051 114.474 114.554 -0.047 0.000 2.867 238 T HA -0.076 4.274 4.350 0.000 0.000 0.268 238 T C 1.938 176.629 174.700 -0.015 0.000 1.057 238 T CA 1.853 63.932 62.100 -0.036 0.000 1.136 238 T CB -0.369 68.460 68.868 -0.064 0.000 0.874 238 T HN 0.336 nan 8.240 nan 0.000 0.466 239 I N 1.696 122.262 120.570 -0.008 0.000 2.133 239 I HA -0.149 4.021 4.170 0.000 0.000 0.238 239 I C 3.059 179.270 176.117 0.157 0.000 1.074 239 I CA 1.139 62.451 61.300 0.019 0.000 1.342 239 I CB -0.700 37.353 38.000 0.088 0.000 1.053 239 I HN 0.180 nan 8.210 nan 0.000 0.404 240 A N 0.503 123.439 122.820 0.193 0.000 1.903 240 A HA -0.319 4.001 4.320 0.000 0.000 0.219 240 A C 2.231 179.930 177.584 0.191 0.000 1.191 240 A CA 2.341 54.519 52.037 0.235 0.000 0.638 240 A CB -0.850 18.198 19.000 0.080 0.000 0.823 240 A HN 0.493 nan 8.150 nan 0.000 0.451 241 E N -2.149 118.104 120.200 0.087 0.000 2.110 241 E HA -0.207 4.143 4.350 0.000 0.000 0.193 241 E C 1.819 178.444 176.600 0.042 0.000 0.988 241 E CA 1.373 57.803 56.400 0.048 0.000 0.804 241 E CB -0.263 29.446 29.700 0.016 0.000 0.745 241 E HN 0.788 nan 8.360 nan 0.000 0.458 242 Y N -0.252 119.981 120.300 -0.112 0.000 2.200 242 Y HA -0.233 4.317 4.550 0.000 0.000 0.290 242 Y C 1.654 177.447 175.900 -0.178 0.000 1.137 242 Y CA 1.521 59.494 58.100 -0.212 0.000 1.163 242 Y CB -0.160 38.069 38.460 -0.385 0.000 0.988 242 Y HN 0.003 nan 8.280 nan 0.000 0.518 243 F N -0.021 120.007 119.950 0.130 0.000 2.171 243 F HA -0.139 4.389 4.527 0.000 0.000 0.300 243 F C 2.683 178.508 175.800 0.041 0.000 1.090 243 F CA 1.761 59.832 58.000 0.118 0.000 1.293 243 F CB -0.727 38.398 39.000 0.207 0.000 1.013 243 F HN -0.048 nan 8.300 nan 0.000 0.486 244 R N 0.473 121.079 120.500 0.177 0.000 2.061 244 R HA -0.143 4.198 4.340 0.000 0.000 0.230 244 R C 1.827 178.120 176.300 -0.011 0.000 1.140 244 R CA 2.081 58.226 56.100 0.076 0.000 0.940 244 R CB -0.376 29.952 30.300 0.047 0.000 0.839 244 R HN 0.155 nan 8.270 nan 0.000 0.429 245 D N -0.205 120.147 120.400 -0.081 0.000 2.162 245 D HA -0.079 4.561 4.640 0.000 0.000 0.205 245 D C 1.380 177.564 176.300 -0.194 0.000 0.964 245 D CA 0.949 54.876 54.000 -0.121 0.000 0.847 245 D CB 0.183 40.918 40.800 -0.108 0.000 0.988 245 D HN 0.290 nan 8.370 nan 0.000 0.480 246 E N 0.329 120.299 120.200 -0.384 0.000 2.476 246 E HA 0.080 4.430 4.350 0.000 0.000 0.199 246 E C 0.861 177.274 176.600 -0.313 0.000 1.021 246 E CA 0.181 56.307 56.400 -0.457 0.000 0.907 246 E CB 0.689 29.863 29.700 -0.878 0.000 0.974 246 E HN 0.377 nan 8.360 nan 0.000 0.489 247 E N 0.244 120.329 120.200 -0.190 0.000 2.630 247 E HA 0.154 4.504 4.350 0.000 0.000 0.218 247 E C 0.152 176.789 176.600 0.062 0.000 0.977 247 E CA -0.100 56.307 56.400 0.012 0.000 1.038 247 E CB 1.057 30.876 29.700 0.197 0.000 1.051 247 E HN 0.167 nan 8.360 nan 0.000 0.487 248 G N 2.982 111.790 108.800 0.013 0.000 2.290 248 G HA2 -0.262 3.698 3.960 0.000 0.000 0.270 248 G HA3 -0.262 3.698 3.960 0.000 0.000 0.270 248 G C -0.002 174.922 174.900 0.040 0.000 0.891 248 G CA 0.732 45.842 45.100 0.016 0.000 1.321 248 G HN 0.056 nan 8.290 nan 0.000 0.425 249 Q N -0.323 119.518 119.800 0.069 0.000 2.484 249 Q HA 0.392 4.732 4.340 0.000 0.000 0.285 249 Q C -1.029 175.011 176.000 0.068 0.000 1.097 249 Q CA -0.833 55.016 55.803 0.076 0.000 0.802 249 Q CB 1.808 30.655 28.738 0.182 0.000 1.444 249 Q HN 0.349 nan 8.270 nan 0.000 0.429 250 D N 0.792 121.227 120.400 0.060 0.000 2.428 250 D HA 0.307 4.947 4.640 0.000 0.000 0.221 250 D C -0.721 175.716 176.300 0.228 0.000 1.123 250 D CA -0.022 54.060 54.000 0.137 0.000 0.869 250 D CB 0.923 41.790 40.800 0.113 0.000 1.032 250 D HN 0.031 nan 8.370 nan 0.000 0.506 251 V N 3.377 123.360 119.914 0.116 0.000 2.567 251 V HA 0.364 4.484 4.120 0.000 0.000 0.289 251 V C 0.382 176.413 176.094 -0.106 0.000 1.049 251 V CA -0.796 61.529 62.300 0.043 0.000 0.969 251 V CB 1.323 33.198 31.823 0.087 0.000 0.995 251 V HN 0.347 nan 8.190 nan 0.000 0.471 252 L N 5.064 126.153 121.223 -0.223 0.000 2.307 252 L HA 0.576 4.916 4.340 0.000 0.000 0.284 252 L C -0.739 175.934 176.870 -0.327 0.000 1.023 252 L CA -0.549 54.065 54.840 -0.377 0.000 0.810 252 L CB 1.625 43.424 42.059 -0.434 0.000 1.231 252 L HN 0.466 nan 8.230 nan 0.000 0.423 253 L N 4.061 125.006 121.223 -0.463 0.000 2.343 253 L HA 0.558 4.898 4.340 0.000 0.000 0.278 253 L C -1.347 175.210 176.870 -0.522 0.000 0.996 253 L CA 0.104 54.736 54.840 -0.346 0.000 0.831 253 L CB 1.023 42.954 42.059 -0.213 0.000 1.232 253 L HN 0.209 nan 8.230 nan 0.000 0.413 254 F N 6.244 126.107 119.950 -0.144 0.000 2.402 254 F HA 0.551 5.079 4.527 0.000 0.000 0.355 254 F C 0.018 175.512 175.800 -0.510 0.000 1.123 254 F CA -0.453 57.424 58.000 -0.205 0.000 1.021 254 F CB 1.126 40.130 39.000 0.007 0.000 1.160 254 F HN 0.240 nan 8.300 nan 0.000 0.451 255 I N 3.056 123.472 120.570 -0.258 0.000 2.362 255 I HA 0.316 4.486 4.170 0.000 0.000 0.289 255 I C -1.068 174.903 176.117 -0.244 0.000 0.994 255 I CA -0.429 60.661 61.300 -0.350 0.000 1.158 255 I CB 1.701 39.553 38.000 -0.246 0.000 1.315 255 I HN 0.451 nan 8.210 nan 0.000 0.451 256 D N 6.321 126.547 120.400 -0.290 0.000 2.575 256 D HA 0.243 4.884 4.640 0.000 0.000 0.250 256 D C -1.285 175.022 176.300 0.012 0.000 1.279 256 D CA -0.398 53.579 54.000 -0.039 0.000 0.925 256 D CB 1.159 42.044 40.800 0.142 0.000 1.261 256 D HN 0.385 nan 8.370 nan 0.000 0.567 257 N N 4.437 123.162 118.700 0.042 0.000 2.296 257 N HA 0.181 4.922 4.740 0.000 0.000 0.294 257 N C 0.369 175.911 175.510 0.053 0.000 1.033 257 N CA -0.526 52.557 53.050 0.056 0.000 0.839 257 N CB 1.656 40.217 38.487 0.123 0.000 1.395 257 N HN 0.376 nan 8.380 nan 0.000 0.479 258 I N 4.185 124.765 120.570 0.016 0.000 2.493 258 I HA -0.062 4.109 4.170 0.000 0.000 0.254 258 I C 1.743 177.928 176.117 0.112 0.000 1.160 258 I CA 0.672 61.978 61.300 0.010 0.000 1.445 258 I CB -0.733 37.220 38.000 -0.078 0.000 1.086 258 I HN 0.635 nan 8.210 nan 0.000 0.433 259 F N 2.047 122.003 119.950 0.011 0.000 2.087 259 F HA -0.309 4.218 4.527 0.000 0.000 0.299 259 F C 2.385 178.239 175.800 0.091 0.000 1.100 259 F CA 1.801 59.836 58.000 0.059 0.000 1.226 259 F CB -0.487 38.581 39.000 0.114 0.000 0.983 259 F HN 0.029 nan 8.300 nan 0.000 0.479 260 R N 0.174 120.634 120.500 -0.067 0.000 2.139 260 R HA -0.250 4.090 4.340 0.000 0.000 0.243 260 R C 2.208 178.416 176.300 -0.153 0.000 1.145 260 R CA 1.678 57.673 56.100 -0.176 0.000 0.976 260 R CB -2.063 28.236 30.300 -0.001 0.000 0.866 260 R HN 0.534 nan 8.270 nan 0.000 0.449 261 F N 2.052 121.896 119.950 -0.177 0.000 2.091 261 F HA -0.233 4.294 4.527 0.000 0.000 0.299 261 F C 1.957 177.659 175.800 -0.164 0.000 1.103 261 F CA 2.035 59.952 58.000 -0.138 0.000 1.228 261 F CB -0.552 38.385 39.000 -0.104 0.000 0.984 261 F HN -0.095 nan 8.300 nan 0.000 0.477 262 T N 0.077 114.384 114.554 -0.411 0.000 2.904 262 T HA -0.188 4.163 4.350 0.000 0.000 0.267 262 T C 1.878 176.330 174.700 -0.413 0.000 1.059 262 T CA 1.353 63.157 62.100 -0.494 0.000 1.137 262 T CB -0.306 68.415 68.868 -0.246 0.000 0.879 262 T HN 0.463 nan 8.240 nan 0.000 0.467 263 Q N 0.463 119.923 119.800 -0.566 0.000 2.079 263 Q HA -0.018 4.322 4.340 0.000 0.000 0.200 263 Q C 2.434 178.296 176.000 -0.231 0.000 0.974 263 Q CA 1.299 56.839 55.803 -0.438 0.000 0.840 263 Q CB -0.184 28.169 28.738 -0.642 0.000 0.898 263 Q HN 0.539 nan 8.270 nan 0.000 0.430 264 A N -0.022 122.654 122.820 -0.241 0.000 2.016 264 A HA 0.014 4.334 4.320 0.000 0.000 0.217 264 A C 2.140 179.626 177.584 -0.162 0.000 1.162 264 A CA 1.134 53.077 52.037 -0.157 0.000 0.662 264 A CB -0.750 18.179 19.000 -0.118 0.000 0.812 264 A HN 0.558 nan 8.150 nan 0.000 0.450 265 G N 0.240 108.886 108.800 -0.257 0.000 2.422 265 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 265 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 265 G C 1.917 176.746 174.900 -0.118 0.000 1.146 265 G CA 1.638 46.598 45.100 -0.233 0.000 0.769 265 G HN 0.838 nan 8.290 nan 0.000 0.547 266 S N 0.507 116.159 115.700 -0.080 0.000 2.461 266 S HA 0.012 4.482 4.470 0.000 0.000 0.228 266 S C 1.875 176.451 174.600 -0.041 0.000 1.005 266 S CA 1.257 59.447 58.200 -0.017 0.000 0.942 266 S CB -0.207 63.013 63.200 0.034 0.000 0.776 266 S HN 0.584 nan 8.310 nan 0.000 0.514 267 E N 1.126 121.293 120.200 -0.055 0.000 2.274 267 E HA -0.044 4.306 4.350 0.000 0.000 0.194 267 E C 2.026 178.607 176.600 -0.032 0.000 0.996 267 E CA 1.339 57.714 56.400 -0.042 0.000 0.840 267 E CB -0.190 29.484 29.700 -0.043 0.000 0.772 267 E HN 0.709 nan 8.360 nan 0.000 0.491 268 V N -2.613 117.280 119.914 -0.035 0.000 3.661 268 V HA 0.144 4.264 4.120 0.000 0.000 0.271 268 V C 2.086 178.170 176.094 -0.016 0.000 1.315 268 V CA 0.643 62.929 62.300 -0.023 0.000 1.072 268 V CB 0.792 32.600 31.823 -0.024 0.000 0.830 268 V HN 0.040 nan 8.190 nan 0.000 0.443 269 S N 1.226 116.916 115.700 -0.018 0.000 2.356 269 S HA -0.121 4.349 4.470 0.000 0.000 0.223 269 S C 2.220 176.820 174.600 0.000 0.000 1.032 269 S CA 2.066 60.262 58.200 -0.007 0.000 1.005 269 S CB -0.444 62.757 63.200 0.002 0.000 0.867 269 S HN 1.014 nan 8.310 nan 0.000 0.449 270 A N 1.879 124.699 122.820 -0.001 0.000 1.849 270 A HA -0.078 4.242 4.320 0.000 0.000 0.217 270 A C 2.121 179.706 177.584 0.002 0.000 1.202 270 A CA 1.831 53.868 52.037 0.001 0.000 0.629 270 A CB -1.186 17.812 19.000 -0.003 0.000 0.834 270 A HN 0.583 nan 8.150 nan 0.000 0.447 271 L N -0.902 120.320 121.223 -0.000 0.000 2.351 271 L HA -0.137 4.203 4.340 0.000 0.000 0.220 271 L C 1.764 178.638 176.870 0.006 0.000 1.127 271 L CA 0.576 55.417 54.840 0.002 0.000 0.786 271 L CB -0.471 41.589 42.059 0.000 0.000 0.914 271 L HN 0.350 nan 8.230 nan 0.000 0.443 272 L N -0.247 120.979 121.223 0.006 0.000 2.629 272 L HA 0.169 4.509 4.340 0.000 0.000 0.230 272 L C 1.369 178.246 176.870 0.012 0.000 1.151 272 L CA 0.227 55.072 54.840 0.010 0.000 0.924 272 L CB -0.205 41.858 42.059 0.006 0.000 1.137 272 L HN 0.406 nan 8.230 nan 0.000 0.457 273 G N 0.654 109.460 108.800 0.011 0.000 2.179 273 G HA2 -0.317 3.643 3.960 0.000 0.000 0.257 273 G HA3 -0.317 3.643 3.960 0.000 0.000 0.257 273 G C 0.189 175.096 174.900 0.011 0.000 1.010 273 G CA 0.025 45.132 45.100 0.011 0.000 0.736 273 G HN 0.321 nan 8.290 nan 0.000 0.513 274 R N -0.664 119.842 120.500 0.011 0.000 2.404 274 R HA 0.646 4.986 4.340 0.000 0.000 0.291 274 R C 0.957 177.266 176.300 0.015 0.000 1.025 274 R CA -0.666 55.442 56.100 0.014 0.000 0.991 274 R CB 0.765 31.074 30.300 0.015 0.000 1.053 274 R HN 0.307 nan 8.270 nan 0.000 0.479 275 I N 5.058 125.638 120.570 0.016 0.000 2.471 275 I HA 0.153 4.324 4.170 0.000 0.000 0.286 275 I C -1.701 174.431 176.117 0.025 0.000 1.079 275 I CA -1.745 59.565 61.300 0.017 0.000 1.398 275 I CB 0.664 38.673 38.000 0.015 0.000 1.403 275 I HN 0.337 nan 8.210 nan 0.000 0.530 276 P HA 0.081 nan 4.420 nan 0.000 0.270 276 P C -0.376 176.956 177.300 0.053 0.000 1.223 276 P CA -0.234 62.890 63.100 0.040 0.000 0.785 276 P CB 0.807 32.523 31.700 0.028 0.000 0.923 277 S N 0.832 116.586 115.700 0.090 0.000 2.748 277 S HA 0.697 5.167 4.470 0.000 0.000 0.299 277 S C -0.430 174.251 174.600 0.134 0.000 1.119 277 S CA -0.514 57.747 58.200 0.102 0.000 0.997 277 S CB 0.314 63.583 63.200 0.116 0.000 1.223 277 S HN 0.529 nan 8.310 nan 0.000 0.541 278 A N 0.150 123.056 122.820 0.144 0.000 2.584 278 A HA 0.357 4.677 4.320 0.000 0.000 0.239 278 A C 0.341 178.124 177.584 0.332 0.000 1.043 278 A CA 0.684 52.811 52.037 0.150 0.000 0.756 278 A CB -1.446 17.654 19.000 0.166 0.000 0.963 278 A HN 1.383 nan 8.150 nan 0.000 0.511 279 F N 0.458 120.469 119.950 0.102 0.000 2.840 279 F HA -0.272 4.255 4.527 0.000 0.000 0.310 279 F C 1.650 177.384 175.800 -0.110 0.000 0.688 279 F CA 1.326 59.352 58.000 0.043 0.000 1.286 279 F CB -1.190 37.904 39.000 0.158 0.000 1.612 279 F HN 1.841 nan 8.300 nan 0.000 0.335 280 G N -1.690 107.158 108.800 0.080 0.000 2.199 280 G HA2 -0.373 3.588 3.960 0.000 0.000 0.254 280 G HA3 -0.373 3.588 3.960 0.000 0.000 0.254 280 G C 0.151 175.041 174.900 -0.017 0.000 0.982 280 G CA 0.048 45.144 45.100 -0.006 0.000 0.632 280 G HN 0.446 nan 8.290 nan 0.000 0.529 281 Y N 2.502 122.870 120.300 0.115 0.000 2.578 281 Y HA 0.321 4.871 4.550 0.000 0.000 0.339 281 Y C 1.525 177.447 175.900 0.036 0.000 1.231 281 Y CA 0.029 58.170 58.100 0.069 0.000 1.461 281 Y CB 0.499 39.014 38.460 0.092 0.000 1.323 281 Y HN 0.480 nan 8.280 nan 0.000 0.590 282 Q N 4.216 124.136 119.800 0.200 0.000 2.333 282 Q HA -0.042 4.298 4.340 0.000 0.000 0.299 282 Q C -2.277 173.779 176.000 0.093 0.000 1.067 282 Q CA -1.077 54.784 55.803 0.097 0.000 0.943 282 Q CB 0.480 29.242 28.738 0.039 0.000 1.233 282 Q HN 0.409 nan 8.270 nan 0.000 0.401 283 P HA -0.085 nan 4.420 nan 0.000 0.223 283 P C 0.973 178.297 177.300 0.040 0.000 1.151 283 P CA 1.588 64.721 63.100 0.055 0.000 0.787 283 P CB -0.045 31.679 31.700 0.040 0.000 0.788 284 T N -3.902 110.669 114.554 0.028 0.000 3.219 284 T HA 0.103 4.453 4.350 0.000 0.000 0.249 284 T C 1.507 176.219 174.700 0.020 0.000 1.099 284 T CA -0.200 61.913 62.100 0.021 0.000 0.988 284 T CB -1.088 67.787 68.868 0.011 0.000 0.999 284 T HN -0.019 nan 8.240 nan 0.000 0.550 285 L N 1.204 122.434 121.223 0.011 0.000 1.963 285 L HA -0.151 4.189 4.340 0.000 0.000 0.220 285 L C 2.893 179.782 176.870 0.033 0.000 1.076 285 L CA 2.171 57.001 54.840 -0.017 0.000 0.772 285 L CB -0.894 41.120 42.059 -0.074 0.000 0.892 285 L HN 0.391 nan 8.230 nan 0.000 0.435 286 A N -0.679 122.167 122.820 0.044 0.000 1.873 286 A HA -0.285 4.035 4.320 0.000 0.000 0.218 286 A C 2.318 179.966 177.584 0.108 0.000 1.193 286 A CA 2.919 55.004 52.037 0.080 0.000 0.629 286 A CB -1.434 17.603 19.000 0.061 0.000 0.826 286 A HN 0.670 nan 8.150 nan 0.000 0.447 287 T N -2.210 112.391 114.554 0.079 0.000 2.904 287 T HA -0.105 4.245 4.350 0.000 0.000 0.267 287 T C 1.331 176.087 174.700 0.092 0.000 1.059 287 T CA 1.325 63.471 62.100 0.076 0.000 1.137 287 T CB -0.465 68.433 68.868 0.050 0.000 0.879 287 T HN 0.382 nan 8.240 nan 0.000 0.467 288 D N 1.231 121.700 120.400 0.115 0.000 2.092 288 D HA -0.082 4.558 4.640 0.000 0.000 0.193 288 D C 1.969 178.444 176.300 0.292 0.000 0.994 288 D CA 1.140 55.266 54.000 0.210 0.000 0.828 288 D CB -0.456 40.446 40.800 0.171 0.000 0.963 288 D HN 0.353 nan 8.370 nan 0.000 0.450 289 M N 0.458 120.224 119.600 0.277 0.000 2.159 289 M HA -0.096 4.384 4.480 0.000 0.000 0.263 289 M C 2.032 178.303 176.300 -0.048 0.000 1.063 289 M CA 1.920 57.324 55.300 0.174 0.000 1.110 289 M CB -0.191 32.545 32.600 0.226 0.000 1.374 289 M HN 0.054 nan 8.290 nan 0.000 0.411 290 G N 0.377 109.200 108.800 0.040 0.000 2.421 290 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 290 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 290 G C 1.348 176.207 174.900 -0.068 0.000 1.171 290 G CA 0.729 45.825 45.100 -0.007 0.000 0.775 290 G HN 0.456 nan 8.290 nan 0.000 0.543 291 L N -0.243 120.969 121.223 -0.019 0.000 2.265 291 L HA -0.008 4.332 4.340 0.000 0.000 0.215 291 L C 2.546 179.367 176.870 -0.081 0.000 1.117 291 L CA 0.271 55.097 54.840 -0.024 0.000 0.782 291 L CB -0.224 41.848 42.059 0.021 0.000 0.914 291 L HN 0.267 nan 8.230 nan 0.000 0.441 292 L N -1.190 119.934 121.223 -0.165 0.000 2.187 292 L HA -0.038 4.303 4.340 0.000 0.000 0.197 292 L C 2.474 179.171 176.870 -0.287 0.000 1.090 292 L CA 1.512 56.179 54.840 -0.288 0.000 0.781 292 L CB -0.881 40.820 42.059 -0.596 0.000 0.956 292 L HN 0.078 nan 8.230 nan 0.000 0.463 293 Q N 0.343 119.924 119.800 -0.363 0.000 2.112 293 Q HA -0.206 4.134 4.340 0.000 0.000 0.206 293 Q C 1.978 177.814 176.000 -0.273 0.000 0.987 293 Q CA 1.580 57.146 55.803 -0.396 0.000 0.858 293 Q CB -0.417 27.863 28.738 -0.764 0.000 0.905 293 Q HN 0.609 nan 8.270 nan 0.000 0.420 294 E N 0.335 120.400 120.200 -0.225 0.000 2.401 294 E HA -0.121 4.230 4.350 0.000 0.000 0.199 294 E C 1.734 178.286 176.600 -0.079 0.000 1.023 294 E CA 0.449 56.784 56.400 -0.108 0.000 0.859 294 E CB 0.028 29.697 29.700 -0.052 0.000 0.780 294 E HN 0.321 nan 8.360 nan 0.000 0.523 295 R N -0.092 120.347 120.500 -0.102 0.000 2.189 295 R HA 0.189 4.529 4.340 0.000 0.000 0.203 295 R C 0.982 177.231 176.300 -0.086 0.000 1.012 295 R CA 0.095 56.147 56.100 -0.079 0.000 1.015 295 R CB 0.332 30.583 30.300 -0.081 0.000 0.938 295 R HN 0.046 nan 8.270 nan 0.000 0.472 296 I N 2.113 122.614 120.570 -0.115 0.000 2.278 296 I HA 0.033 4.203 4.170 0.000 0.000 0.300 296 I C 0.144 176.207 176.117 -0.089 0.000 1.174 296 I CA 0.283 61.515 61.300 -0.113 0.000 1.347 296 I CB 0.205 38.115 38.000 -0.149 0.000 1.473 296 I HN 0.004 nan 8.210 nan 0.000 0.595 297 T N 2.436 116.951 114.554 -0.066 0.000 2.769 297 T HA 0.291 4.641 4.350 0.000 0.000 0.306 297 T C -0.537 174.138 174.700 -0.040 0.000 1.400 297 T CA -0.421 61.649 62.100 -0.051 0.000 1.007 297 T CB 1.923 70.766 68.868 -0.040 0.000 1.392 297 T HN 0.221 nan 8.240 nan 0.000 0.500 298 T N 3.058 117.590 114.554 -0.036 0.000 2.771 298 T HA 0.579 4.929 4.350 0.000 0.000 0.291 298 T C 0.658 175.337 174.700 -0.036 0.000 0.954 298 T CA -0.220 61.862 62.100 -0.030 0.000 1.045 298 T CB 0.779 69.631 68.868 -0.026 0.000 0.917 298 T HN 0.874 nan 8.240 nan 0.000 0.484 299 T N 1.100 115.635 114.554 -0.033 0.000 2.898 299 T HA 0.453 4.803 4.350 0.000 0.000 0.283 299 T C 1.044 175.720 174.700 -0.040 0.000 1.059 299 T CA -0.771 61.304 62.100 -0.040 0.000 0.958 299 T CB 0.931 69.777 68.868 -0.035 0.000 1.594 299 T HN 0.384 nan 8.240 nan 0.000 0.598 300 K N -0.231 120.144 120.400 -0.042 0.000 2.393 300 K HA 0.210 4.530 4.320 0.000 0.000 0.193 300 K C 1.921 178.503 176.600 -0.031 0.000 1.026 300 K CA 0.133 56.397 56.287 -0.038 0.000 1.064 300 K CB 0.129 32.604 32.500 -0.042 0.000 0.833 300 K HN 0.406 nan 8.250 nan 0.000 0.521 301 K N 0.060 120.441 120.400 -0.030 0.000 2.314 301 K HA 0.062 4.382 4.320 0.000 0.000 0.198 301 K C 0.597 177.185 176.600 -0.020 0.000 1.045 301 K CA 0.299 56.568 56.287 -0.030 0.000 0.988 301 K CB 0.872 33.348 32.500 -0.039 0.000 0.783 301 K HN 0.169 nan 8.250 nan 0.000 0.484 302 G N -0.129 108.663 108.800 -0.014 0.000 2.338 302 G HA2 0.205 4.165 3.960 0.000 0.000 0.295 302 G HA3 0.205 4.165 3.960 0.000 0.000 0.295 302 G C -1.535 173.366 174.900 0.002 0.000 1.461 302 G CA -0.745 44.355 45.100 0.001 0.000 0.817 302 G HN -0.001 nan 8.290 nan 0.000 0.556 303 S N -1.344 114.364 115.700 0.012 0.000 2.549 303 S HA 0.796 5.266 4.470 0.000 0.000 0.297 303 S C -0.733 173.876 174.600 0.015 0.000 1.115 303 S CA -0.756 57.449 58.200 0.008 0.000 1.059 303 S CB 2.017 65.224 63.200 0.011 0.000 1.046 303 S HN 1.231 nan 8.310 nan 0.000 0.506 304 V N 2.912 122.820 119.914 -0.010 0.000 2.409 304 V HA 0.374 4.494 4.120 0.000 0.000 0.290 304 V C -0.222 175.830 176.094 -0.069 0.000 1.017 304 V CA -0.591 61.687 62.300 -0.037 0.000 0.841 304 V CB 1.508 33.303 31.823 -0.045 0.000 1.003 304 V HN 1.065 nan 8.190 nan 0.000 0.426 305 T N 4.075 118.574 114.554 -0.092 0.000 2.737 305 T HA 0.401 4.751 4.350 0.000 0.000 0.296 305 T C 0.297 174.842 174.700 -0.258 0.000 0.922 305 T CA -0.195 61.822 62.100 -0.137 0.000 1.079 305 T CB 0.635 69.439 68.868 -0.107 0.000 0.892 305 T HN 0.809 nan 8.240 nan 0.000 0.514 306 S N 1.938 117.491 115.700 -0.245 0.000 2.532 306 S HA 0.766 5.236 4.470 0.000 0.000 0.301 306 S C -0.701 173.717 174.600 -0.304 0.000 1.083 306 S CA -0.862 57.147 58.200 -0.317 0.000 1.025 306 S CB 1.590 64.651 63.200 -0.230 0.000 1.056 306 S HN 0.395 nan 8.310 nan 0.000 0.494 307 V N 2.589 122.297 119.914 -0.343 0.000 2.447 307 V HA 0.423 4.543 4.120 0.000 0.000 0.292 307 V C -0.738 175.309 176.094 -0.078 0.000 1.021 307 V CA -0.535 61.665 62.300 -0.167 0.000 0.850 307 V CB 1.101 32.927 31.823 0.006 0.000 1.005 307 V HN 0.956 nan 8.190 nan 0.000 0.426 308 Q N 3.012 122.753 119.800 -0.099 0.000 2.307 308 Q HA 0.755 5.095 4.340 0.000 0.000 0.262 308 Q C -0.018 175.931 176.000 -0.086 0.000 0.961 308 Q CA -0.506 55.235 55.803 -0.103 0.000 0.882 308 Q CB 2.513 31.162 28.738 -0.150 0.000 1.264 308 Q HN 0.883 nan 8.270 nan 0.000 0.446 309 A N 2.493 125.288 122.820 -0.042 0.000 2.401 309 A HA 0.491 4.811 4.320 0.000 0.000 0.259 309 A C -0.416 177.102 177.584 -0.111 0.000 1.103 309 A CA -0.339 51.680 52.037 -0.030 0.000 0.789 309 A CB 0.558 19.595 19.000 0.061 0.000 1.035 309 A HN 0.514 nan 8.150 nan 0.000 0.491 310 V N 3.713 123.492 119.914 -0.225 0.000 2.447 310 V HA 0.190 4.310 4.120 0.000 0.000 0.292 310 V C -0.772 175.177 176.094 -0.241 0.000 1.021 310 V CA -0.453 61.626 62.300 -0.369 0.000 0.850 310 V CB 0.986 32.155 31.823 -1.090 0.000 1.005 310 V HN 0.842 nan 8.190 nan 0.000 0.426 311 Y N 5.115 125.305 120.300 -0.184 0.000 2.346 311 Y HA 0.533 5.083 4.550 0.000 0.000 0.330 311 Y C -0.079 175.543 175.900 -0.463 0.000 1.178 311 Y CA -0.036 57.904 58.100 -0.267 0.000 1.331 311 Y CB 1.382 39.707 38.460 -0.224 0.000 1.253 311 Y HN 0.392 nan 8.280 nan 0.000 0.529 312 V N 8.637 127.947 119.914 -1.007 0.000 2.350 312 V HA 0.322 4.443 4.120 0.000 0.000 0.285 312 V C -2.345 173.177 176.094 -0.954 0.000 1.014 312 V CA -2.110 59.759 62.300 -0.718 0.000 0.831 312 V CB 1.083 32.712 31.823 -0.323 0.000 1.000 312 V HN 0.703 nan 8.190 nan 0.000 0.433 313 P HA 0.271 nan 4.420 nan 0.000 0.276 313 P C 0.498 177.678 177.300 -0.200 0.000 1.235 313 P CA 0.293 63.206 63.100 -0.311 0.000 0.772 313 P CB 1.015 32.642 31.700 -0.122 0.000 0.871 314 A N 3.497 126.255 122.820 -0.104 0.000 2.771 314 A HA -0.259 4.061 4.320 0.000 0.000 0.294 314 A C 0.918 178.451 177.584 -0.086 0.000 1.500 314 A CA 1.269 53.272 52.037 -0.057 0.000 0.829 314 A CB -2.583 16.406 19.000 -0.018 0.000 0.998 314 A HN 0.624 nan 8.150 nan 0.000 0.526 315 D N -1.984 118.324 120.400 -0.153 0.000 3.079 315 D HA -0.186 4.454 4.640 0.000 0.000 0.214 315 D C -0.210 176.033 176.300 -0.094 0.000 1.145 315 D CA 2.042 55.965 54.000 -0.129 0.000 0.958 315 D CB -1.092 39.663 40.800 -0.075 0.000 1.117 315 D HN 0.952 nan 8.370 nan 0.000 0.416 316 D N 0.467 120.805 120.400 -0.103 0.000 2.456 316 D HA 0.222 4.862 4.640 0.000 0.000 0.219 316 D C 1.508 177.789 176.300 -0.032 0.000 1.126 316 D CA -0.380 53.584 54.000 -0.060 0.000 0.890 316 D CB 0.178 40.938 40.800 -0.067 0.000 1.025 316 D HN 0.118 nan 8.370 nan 0.000 0.511 317 L N 2.564 123.794 121.223 0.013 0.000 2.549 317 L HA -0.090 4.250 4.340 0.000 0.000 0.230 317 L C 1.984 178.921 176.870 0.112 0.000 1.162 317 L CA 1.263 56.161 54.840 0.097 0.000 0.834 317 L CB -0.310 41.800 42.059 0.085 0.000 0.947 317 L HN 0.494 nan 8.230 nan 0.000 0.452 318 T N -5.568 109.019 114.554 0.055 0.000 3.060 318 T HA -0.017 4.333 4.350 0.000 0.000 0.249 318 T C 0.754 175.496 174.700 0.070 0.000 1.079 318 T CA -0.493 61.647 62.100 0.067 0.000 1.013 318 T CB -0.127 68.777 68.868 0.061 0.000 0.975 318 T HN 0.150 nan 8.240 nan 0.000 0.518 319 D N 2.930 123.333 120.400 0.004 0.000 2.533 319 D HA 0.011 4.651 4.640 0.000 0.000 0.236 319 D C -1.398 174.917 176.300 0.025 0.000 1.137 319 D CA -1.197 52.761 54.000 -0.071 0.000 0.867 319 D CB 1.435 42.164 40.800 -0.117 0.000 1.170 319 D HN 0.015 nan 8.370 nan 0.000 0.474 320 P HA -0.241 nan 4.420 nan 0.000 0.218 320 P C 0.920 178.146 177.300 -0.123 0.000 1.154 320 P CA 2.260 65.332 63.100 -0.046 0.000 0.872 320 P CB 0.073 31.695 31.700 -0.131 0.000 0.790 321 A N 0.063 122.754 122.820 -0.216 0.000 1.834 321 A HA -0.163 4.157 4.320 0.000 0.000 0.216 321 A C 0.023 177.670 177.584 0.104 0.000 1.203 321 A CA 2.782 54.797 52.037 -0.037 0.000 0.621 321 A CB -2.331 16.823 19.000 0.256 0.000 0.841 321 A HN 0.218 nan 8.150 nan 0.000 0.446 322 P HA -0.141 nan 4.420 nan 0.000 0.216 322 P C 1.651 179.133 177.300 0.303 0.000 1.153 322 P CA 2.086 65.292 63.100 0.177 0.000 0.848 322 P CB -0.289 31.529 31.700 0.196 0.000 0.787 323 A N 0.109 123.105 122.820 0.293 0.000 1.892 323 A HA -0.193 4.127 4.320 0.000 0.000 0.218 323 A C 2.259 180.015 177.584 0.287 0.000 1.188 323 A CA 2.693 54.930 52.037 0.332 0.000 0.631 323 A CB -2.070 17.031 19.000 0.167 0.000 0.822 323 A HN 0.237 nan 8.150 nan 0.000 0.447 324 T N -0.609 114.040 114.554 0.158 0.000 3.113 324 T HA 0.009 4.360 4.350 0.000 0.000 0.263 324 T C 1.540 176.295 174.700 0.092 0.000 1.143 324 T CA 1.472 63.629 62.100 0.095 0.000 1.090 324 T CB -0.189 68.716 68.868 0.061 0.000 0.922 324 T HN 0.568 nan 8.240 nan 0.000 0.521 325 T N 1.004 115.649 114.554 0.151 0.000 3.031 325 T HA 0.180 4.530 4.350 0.000 0.000 0.254 325 T C 1.436 176.220 174.700 0.139 0.000 1.060 325 T CA 0.102 62.288 62.100 0.144 0.000 1.135 325 T CB -0.247 68.646 68.868 0.041 0.000 0.896 325 T HN 0.277 nan 8.240 nan 0.000 0.472 326 F N 2.417 122.476 119.950 0.180 0.000 2.087 326 F HA -0.121 4.406 4.527 0.000 0.000 0.299 326 F C 2.574 178.369 175.800 -0.008 0.000 1.100 326 F CA 1.249 59.292 58.000 0.072 0.000 1.226 326 F CB -0.604 38.350 39.000 -0.076 0.000 0.983 326 F HN 0.141 nan 8.300 nan 0.000 0.479 327 A N -1.697 121.167 122.820 0.074 0.000 2.239 327 A HA -0.093 4.227 4.320 0.000 0.000 0.209 327 A C 1.355 178.883 177.584 -0.094 0.000 1.171 327 A CA 0.768 52.780 52.037 -0.042 0.000 0.768 327 A CB -0.961 17.981 19.000 -0.096 0.000 0.790 327 A HN 0.444 nan 8.150 nan 0.000 0.478 328 H N -0.908 118.208 119.070 0.077 0.000 2.553 328 H HA 0.314 4.870 4.556 0.000 0.000 0.265 328 H C -0.122 175.218 175.328 0.021 0.000 0.964 328 H CA 0.162 56.230 56.048 0.035 0.000 1.156 328 H CB 0.084 29.852 29.762 0.011 0.000 1.411 328 H HN 0.356 nan 8.280 nan 0.000 0.558 329 L N 0.710 122.015 121.223 0.137 0.000 2.317 329 L HA 0.214 4.554 4.340 0.000 0.000 0.281 329 L C 0.924 177.829 176.870 0.057 0.000 1.024 329 L CA -0.526 54.364 54.840 0.083 0.000 0.810 329 L CB 1.954 44.075 42.059 0.103 0.000 1.240 329 L HN -0.116 nan 8.230 nan 0.000 0.427 330 D N 1.766 122.178 120.400 0.020 0.000 2.289 330 D HA 0.131 4.771 4.640 0.000 0.000 0.207 330 D C 0.337 176.651 176.300 0.022 0.000 0.966 330 D CA 0.638 54.649 54.000 0.018 0.000 0.868 330 D CB 0.790 41.592 40.800 0.003 0.000 0.943 330 D HN 0.534 nan 8.370 nan 0.000 0.514 331 A N 0.581 123.400 122.820 -0.002 0.000 2.465 331 A HA 0.489 4.809 4.320 0.000 0.000 0.292 331 A C -0.556 177.033 177.584 0.009 0.000 1.041 331 A CA -0.719 51.329 52.037 0.018 0.000 0.718 331 A CB 1.218 20.232 19.000 0.024 0.000 1.266 331 A HN -0.040 nan 8.150 nan 0.000 0.403 332 T N 0.315 114.912 114.554 0.073 0.000 2.788 332 T HA 0.622 4.972 4.350 0.000 0.000 0.296 332 T C 0.010 174.765 174.700 0.091 0.000 1.009 332 T CA -0.259 61.895 62.100 0.089 0.000 0.949 332 T CB 0.656 69.571 68.868 0.079 0.000 0.946 332 T HN 1.012 nan 8.240 nan 0.000 0.453 333 T N 0.670 115.288 114.554 0.107 0.000 2.767 333 T HA 0.596 4.946 4.350 0.000 0.000 0.288 333 T C -0.049 174.676 174.700 0.042 0.000 0.963 333 T CA -0.763 61.371 62.100 0.057 0.000 1.019 333 T CB 0.973 69.846 68.868 0.008 0.000 0.923 333 T HN 0.503 nan 8.240 nan 0.000 0.468 334 V N 4.973 124.897 119.914 0.016 0.000 2.398 334 V HA 0.396 4.516 4.120 0.000 0.000 0.286 334 V C 0.053 176.155 176.094 0.013 0.000 1.026 334 V CA -0.933 61.389 62.300 0.037 0.000 0.868 334 V CB 1.236 33.059 31.823 -0.001 0.000 0.982 334 V HN 0.829 nan 8.190 nan 0.000 0.443 335 L N 4.037 125.279 121.223 0.031 0.000 2.289 335 L HA 0.577 4.917 4.340 0.000 0.000 0.285 335 L C 0.329 177.201 176.870 0.004 0.000 1.049 335 L CA -0.026 54.823 54.840 0.014 0.000 0.804 335 L CB 1.712 43.791 42.059 0.034 0.000 1.195 335 L HN 0.674 nan 8.230 nan 0.000 0.428 336 S N 2.863 118.552 115.700 -0.018 0.000 2.449 336 S HA 0.312 4.782 4.470 0.000 0.000 0.310 336 S C 0.850 175.422 174.600 -0.047 0.000 1.096 336 S CA -0.726 57.453 58.200 -0.034 0.000 1.095 336 S CB 1.577 64.751 63.200 -0.043 0.000 1.007 336 S HN 0.751 nan 8.310 nan 0.000 0.474 337 R N 3.638 124.114 120.500 -0.040 0.000 2.081 337 R HA -0.037 4.303 4.340 0.000 0.000 0.235 337 R C 2.147 178.416 176.300 -0.051 0.000 1.131 337 R CA 1.962 58.039 56.100 -0.038 0.000 0.960 337 R CB -1.114 29.170 30.300 -0.027 0.000 0.856 337 R HN 0.848 nan 8.270 nan 0.000 0.436 338 G N 0.910 109.680 108.800 -0.050 0.000 2.507 338 G HA2 -0.254 3.706 3.960 0.000 0.000 0.221 338 G HA3 -0.254 3.706 3.960 0.000 0.000 0.221 338 G C 1.373 176.231 174.900 -0.070 0.000 1.119 338 G CA 1.198 46.265 45.100 -0.055 0.000 0.751 338 G HN 0.361 nan 8.290 nan 0.000 0.574 339 I N 1.029 121.547 120.570 -0.086 0.000 2.852 339 I HA -0.039 4.131 4.170 0.000 0.000 0.264 339 I C 2.925 178.922 176.117 -0.200 0.000 1.179 339 I CA 1.001 62.235 61.300 -0.109 0.000 1.480 339 I CB 0.062 38.008 38.000 -0.091 0.000 1.111 339 I HN 0.301 nan 8.210 nan 0.000 0.441 340 S N 0.427 115.989 115.700 -0.230 0.000 2.453 340 S HA -0.100 4.370 4.470 0.000 0.000 0.231 340 S C 1.530 175.991 174.600 -0.230 0.000 1.005 340 S CA 0.815 58.774 58.200 -0.402 0.000 0.949 340 S CB -0.334 62.736 63.200 -0.217 0.000 0.774 340 S HN 0.453 nan 8.310 nan 0.000 0.510 341 E N 0.378 120.513 120.200 -0.109 0.000 2.463 341 E HA 0.221 4.571 4.350 0.000 0.000 0.191 341 E C 0.743 177.323 176.600 -0.033 0.000 1.083 341 E CA 0.059 56.435 56.400 -0.041 0.000 0.872 341 E CB -0.005 29.681 29.700 -0.022 0.000 0.966 341 E HN 0.598 nan 8.360 nan 0.000 0.491 342 L N -1.261 119.926 121.223 -0.060 0.000 2.766 342 L HA 0.277 4.617 4.340 0.000 0.000 0.242 342 L C 1.313 178.183 176.870 0.001 0.000 1.136 342 L CA 0.182 55.006 54.840 -0.028 0.000 0.933 342 L CB 0.626 42.671 42.059 -0.024 0.000 1.241 342 L HN 0.212 nan 8.230 nan 0.000 0.522 343 G N 0.887 109.686 108.800 -0.002 0.000 2.159 343 G HA2 -0.237 3.723 3.960 0.000 0.000 0.256 343 G HA3 -0.237 3.723 3.960 0.000 0.000 0.256 343 G C 0.283 175.299 174.900 0.194 0.000 0.977 343 G CA -0.365 44.834 45.100 0.166 0.000 0.652 343 G HN 0.158 nan 8.290 nan 0.000 0.531 344 I N 1.105 121.644 120.570 -0.051 0.000 2.363 344 I HA 0.410 4.580 4.170 0.000 0.000 0.292 344 I C -0.040 175.881 176.117 -0.327 0.000 1.075 344 I CA -0.170 61.111 61.300 -0.032 0.000 1.333 344 I CB -0.381 37.615 38.000 -0.006 0.000 1.415 344 I HN 0.080 nan 8.210 nan 0.000 0.502 345 Y N 7.252 127.525 120.300 -0.045 0.000 2.477 345 Y HA 0.413 4.963 4.550 0.000 0.000 0.347 345 Y C -2.092 173.642 175.900 -0.277 0.000 0.981 345 Y CA -2.504 55.512 58.100 -0.140 0.000 1.033 345 Y CB 2.013 40.367 38.460 -0.176 0.000 1.245 345 Y HN 0.414 nan 8.280 nan 0.000 0.455 346 P HA 0.065 nan 4.420 nan 0.000 0.269 346 P C -0.439 176.914 177.300 0.089 0.000 1.209 346 P CA -0.123 63.032 63.100 0.092 0.000 0.776 346 P CB 0.893 32.796 31.700 0.340 0.000 0.876 347 A N 3.252 126.114 122.820 0.069 0.000 2.958 347 A HA 0.213 4.533 4.320 0.000 0.000 0.247 347 A C 0.372 177.959 177.584 0.004 0.000 1.679 347 A CA -0.230 51.765 52.037 -0.071 0.000 1.345 347 A CB -1.258 17.659 19.000 -0.139 0.000 1.013 347 A HN 0.355 nan 8.150 nan 0.000 0.641 348 V N 1.614 121.554 119.914 0.043 0.000 2.432 348 V HA 0.084 4.204 4.120 0.000 0.000 0.271 348 V C 0.253 176.352 176.094 0.008 0.000 1.046 348 V CA -0.677 61.645 62.300 0.035 0.000 0.945 348 V CB 1.242 33.116 31.823 0.085 0.000 0.992 348 V HN 0.638 nan 8.190 nan 0.000 0.471 349 D N 8.607 129.001 120.400 -0.009 0.000 2.338 349 D HA 0.135 4.775 4.640 0.000 0.000 0.255 349 D C -1.302 174.986 176.300 -0.019 0.000 1.237 349 D CA -1.850 52.137 54.000 -0.021 0.000 0.883 349 D CB 1.844 42.624 40.800 -0.033 0.000 1.087 349 D HN 0.288 nan 8.370 nan 0.000 0.485 350 P HA -0.023 nan 4.420 nan 0.000 0.237 350 P C 1.122 178.401 177.300 -0.036 0.000 1.178 350 P CA 0.439 63.525 63.100 -0.024 0.000 0.766 350 P CB 0.444 32.132 31.700 -0.021 0.000 0.876 351 L N -1.394 119.805 121.223 -0.040 0.000 2.731 351 L HA 0.250 4.590 4.340 0.000 0.000 0.240 351 L C 1.497 178.329 176.870 -0.063 0.000 1.120 351 L CA 0.349 55.159 54.840 -0.050 0.000 0.913 351 L CB 0.090 42.119 42.059 -0.049 0.000 1.213 351 L HN -0.152 nan 8.230 nan 0.000 0.515 352 D N -0.841 119.522 120.400 -0.063 0.000 2.441 352 D HA 0.071 4.711 4.640 0.000 0.000 0.210 352 D C 0.306 176.561 176.300 -0.075 0.000 1.102 352 D CA 0.281 54.229 54.000 -0.087 0.000 0.840 352 D CB 0.701 41.447 40.800 -0.090 0.000 0.990 352 D HN -0.087 nan 8.370 nan 0.000 0.505 353 S N 1.126 116.803 115.700 -0.040 0.000 2.457 353 S HA 0.422 4.892 4.470 0.000 0.000 0.289 353 S C -0.160 174.440 174.600 0.000 0.000 1.163 353 S CA -0.628 57.567 58.200 -0.008 0.000 1.078 353 S CB 1.496 64.706 63.200 0.017 0.000 0.987 353 S HN -0.021 nan 8.310 nan 0.000 0.482 354 K N 1.480 121.889 120.400 0.015 0.000 2.340 354 K HA 0.700 5.020 4.320 0.000 0.000 0.244 354 K C -0.538 176.095 176.600 0.056 0.000 0.973 354 K CA -0.735 55.563 56.287 0.018 0.000 0.828 354 K CB 2.029 34.523 32.500 -0.010 0.000 1.226 354 K HN 0.564 nan 8.250 nan 0.000 0.437 355 S N 0.257 115.989 115.700 0.054 0.000 2.543 355 S HA 0.231 4.701 4.470 0.000 0.000 0.271 355 S C 0.324 174.956 174.600 0.052 0.000 1.148 355 S CA -0.749 57.494 58.200 0.072 0.000 0.914 355 S CB 1.749 65.016 63.200 0.112 0.000 1.096 355 S HN 0.709 nan 8.310 nan 0.000 0.471 356 R N 2.902 123.430 120.500 0.047 0.000 2.341 356 R HA 0.122 4.462 4.340 0.000 0.000 0.213 356 R C 0.577 176.898 176.300 0.035 0.000 1.082 356 R CA 1.153 57.275 56.100 0.037 0.000 1.017 356 R CB -0.388 29.930 30.300 0.031 0.000 0.860 356 R HN 0.771 nan 8.270 nan 0.000 0.473 357 L N 0.711 121.958 121.223 0.040 0.000 2.700 357 L HA 0.164 4.504 4.340 0.000 0.000 0.234 357 L C -0.098 176.780 176.870 0.013 0.000 1.156 357 L CA -0.483 54.372 54.840 0.024 0.000 0.946 357 L CB 0.320 42.397 42.059 0.029 0.000 1.216 357 L HN 0.045 nan 8.230 nan 0.000 0.493 358 L N 1.709 122.958 121.223 0.043 0.000 2.404 358 L HA 0.276 4.616 4.340 0.000 0.000 0.277 358 L C -0.583 176.427 176.870 0.233 0.000 1.184 358 L CA 0.742 55.641 54.840 0.098 0.000 1.013 358 L CB -0.405 41.687 42.059 0.054 0.000 1.318 358 L HN 0.025 nan 8.230 nan 0.000 0.435 359 D N 1.638 122.123 120.400 0.141 0.000 2.966 359 D HA 0.321 4.961 4.640 0.000 0.000 0.222 359 D C 0.610 176.812 176.300 -0.162 0.000 1.292 359 D CA 0.071 54.039 54.000 -0.053 0.000 0.907 359 D CB 2.161 42.936 40.800 -0.041 0.000 1.621 359 D HN 0.308 nan 8.370 nan 0.000 0.557 360 A N 3.026 125.580 122.820 -0.443 0.000 1.917 360 A HA -0.088 4.232 4.320 0.000 0.000 0.219 360 A C 1.934 179.434 177.584 -0.139 0.000 1.182 360 A CA 2.236 54.087 52.037 -0.310 0.000 0.633 360 A CB -0.469 18.301 19.000 -0.383 0.000 0.819 360 A HN 0.625 nan 8.150 nan 0.000 0.448 361 A N -1.328 121.414 122.820 -0.130 0.000 2.172 361 A HA 0.230 4.550 4.320 0.000 0.000 0.216 361 A C 1.850 179.407 177.584 -0.046 0.000 1.154 361 A CA 1.643 53.636 52.037 -0.073 0.000 0.701 361 A CB -0.264 18.696 19.000 -0.067 0.000 0.789 361 A HN 0.416 nan 8.150 nan 0.000 0.465 362 V N -1.382 118.504 119.914 -0.047 0.000 3.090 362 V HA -0.029 4.091 4.120 0.000 0.000 0.237 362 V C 2.084 178.165 176.094 -0.022 0.000 1.209 362 V CA 1.226 63.510 62.300 -0.027 0.000 1.209 362 V CB 0.656 32.465 31.823 -0.023 0.000 0.971 362 V HN 0.464 nan 8.190 nan 0.000 0.477 363 V N -1.501 118.384 119.914 -0.048 0.000 3.660 363 V HA 0.733 4.853 4.120 0.000 0.000 0.276 363 V C 0.813 176.938 176.094 0.050 0.000 1.317 363 V CA 0.334 62.601 62.300 -0.054 0.000 1.097 363 V CB -0.441 31.145 31.823 -0.395 0.000 0.863 363 V HN 0.875 nan 8.190 nan 0.000 0.438 364 G N 0.392 109.213 108.800 0.034 0.000 2.721 364 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 364 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 364 G C -0.022 174.936 174.900 0.095 0.000 1.236 364 G CA 0.136 45.272 45.100 0.060 0.000 0.786 364 G HN 0.189 nan 8.290 nan 0.000 0.616 365 Q N 0.371 120.211 119.800 0.067 0.000 2.112 365 Q HA -0.160 4.180 4.340 0.000 0.000 0.206 365 Q C 2.370 178.469 176.000 0.164 0.000 0.987 365 Q CA 2.354 58.213 55.803 0.093 0.000 0.858 365 Q CB -0.110 28.659 28.738 0.053 0.000 0.905 365 Q HN 0.884 nan 8.270 nan 0.000 0.420 366 E N -0.432 119.853 120.200 0.142 0.000 2.023 366 E HA -0.239 4.112 4.350 0.000 0.000 0.196 366 E C 2.020 178.738 176.600 0.197 0.000 1.003 366 E CA 1.374 57.860 56.400 0.144 0.000 0.809 366 E CB -0.183 29.584 29.700 0.111 0.000 0.755 366 E HN 0.533 nan 8.360 nan 0.000 0.449 367 H N -1.448 117.678 119.070 0.094 0.000 2.290 367 H HA -0.240 4.316 4.556 0.000 0.000 0.298 367 H C 2.190 177.570 175.328 0.087 0.000 1.087 367 H CA 1.791 57.887 56.048 0.080 0.000 1.291 367 H CB -0.194 29.612 29.762 0.074 0.000 1.369 367 H HN 0.277 nan 8.280 nan 0.000 0.492 368 Y N 1.522 121.910 120.300 0.146 0.000 2.114 368 Y HA -0.285 4.265 4.550 0.000 0.000 0.282 368 Y C 1.982 177.923 175.900 0.069 0.000 1.165 368 Y CA 2.234 60.361 58.100 0.045 0.000 1.148 368 Y CB -0.375 38.083 38.460 -0.003 0.000 0.972 368 Y HN 0.361 nan 8.280 nan 0.000 0.504 369 D N -0.997 119.519 120.400 0.193 0.000 2.178 369 D HA -0.149 4.491 4.640 0.000 0.000 0.202 369 D C 2.337 178.660 176.300 0.039 0.000 0.974 369 D CA 1.299 55.359 54.000 0.099 0.000 0.841 369 D CB -0.257 40.627 40.800 0.139 0.000 0.953 369 D HN 0.278 nan 8.370 nan 0.000 0.478 370 V N 0.944 120.901 119.914 0.071 0.000 2.307 370 V HA -0.223 3.897 4.120 0.000 0.000 0.245 370 V C 2.448 178.541 176.094 -0.002 0.000 1.045 370 V CA 1.799 64.132 62.300 0.056 0.000 1.024 370 V CB -0.795 31.069 31.823 0.067 0.000 0.651 370 V HN 0.203 nan 8.190 nan 0.000 0.449 371 A N -0.397 122.411 122.820 -0.020 0.000 1.902 371 A HA -0.214 4.106 4.320 0.000 0.000 0.217 371 A C 2.488 179.984 177.584 -0.147 0.000 1.181 371 A CA 2.342 54.324 52.037 -0.093 0.000 0.623 371 A CB -0.723 18.234 19.000 -0.071 0.000 0.818 371 A HN 0.509 nan 8.150 nan 0.000 0.443 372 S N -0.186 115.385 115.700 -0.214 0.000 2.343 372 S HA -0.158 4.312 4.470 0.000 0.000 0.219 372 S C 1.971 176.518 174.600 -0.088 0.000 1.033 372 S CA 1.640 59.720 58.200 -0.200 0.000 1.014 372 S CB -0.293 62.748 63.200 -0.266 0.000 0.915 372 S HN 0.618 nan 8.310 nan 0.000 0.435 373 K N 0.680 121.053 120.400 -0.045 0.000 2.152 373 K HA -0.049 4.271 4.320 0.000 0.000 0.206 373 K C 2.024 178.630 176.600 0.010 0.000 1.048 373 K CA 1.010 57.296 56.287 -0.002 0.000 0.933 373 K CB -0.385 32.130 32.500 0.025 0.000 0.721 373 K HN 0.163 nan 8.250 nan 0.000 0.447 374 V N 1.616 121.531 119.914 0.002 0.000 2.295 374 V HA -0.276 3.844 4.120 0.000 0.000 0.246 374 V C 2.227 178.316 176.094 -0.009 0.000 1.049 374 V CA 1.729 64.035 62.300 0.011 0.000 1.024 374 V CB -0.434 31.359 31.823 -0.051 0.000 0.648 374 V HN 0.361 nan 8.190 nan 0.000 0.447 375 Q N -0.664 119.110 119.800 -0.044 0.000 2.170 375 Q HA -0.227 4.113 4.340 0.000 0.000 0.203 375 Q C 2.314 178.302 176.000 -0.020 0.000 0.976 375 Q CA 1.553 57.330 55.803 -0.042 0.000 0.858 375 Q CB -0.119 28.576 28.738 -0.071 0.000 0.907 375 Q HN 0.678 nan 8.270 nan 0.000 0.433 376 E N -0.508 119.683 120.200 -0.015 0.000 2.106 376 E HA -0.132 4.218 4.350 0.000 0.000 0.192 376 E C 1.801 178.412 176.600 0.018 0.000 0.984 376 E CA 1.420 57.819 56.400 -0.000 0.000 0.806 376 E CB 0.195 29.895 29.700 0.001 0.000 0.750 376 E HN 0.327 nan 8.360 nan 0.000 0.458 377 T N 1.132 115.703 114.554 0.028 0.000 2.812 377 T HA -0.045 4.305 4.350 0.000 0.000 0.264 377 T C 1.935 176.678 174.700 0.071 0.000 1.042 377 T CA 0.579 62.706 62.100 0.044 0.000 1.140 377 T CB -0.060 68.836 68.868 0.047 0.000 0.870 377 T HN 0.071 nan 8.240 nan 0.000 0.445 378 L N 0.886 122.149 121.223 0.067 0.000 2.217 378 L HA -0.040 4.300 4.340 0.000 0.000 0.211 378 L C 2.765 179.678 176.870 0.071 0.000 1.107 378 L CA 0.909 55.803 54.840 0.090 0.000 0.783 378 L CB -0.368 41.725 42.059 0.056 0.000 0.919 378 L HN 0.206 nan 8.230 nan 0.000 0.442 379 Q N -0.302 119.520 119.800 0.038 0.000 2.137 379 Q HA -0.121 4.219 4.340 0.000 0.000 0.198 379 Q C 1.993 178.014 176.000 0.036 0.000 0.960 379 Q CA 1.914 57.727 55.803 0.016 0.000 0.847 379 Q CB -0.146 28.591 28.738 -0.002 0.000 0.915 379 Q HN 0.308 nan 8.270 nan 0.000 0.448 380 T N 0.177 114.766 114.554 0.059 0.000 2.821 380 T HA -0.127 4.223 4.350 0.000 0.000 0.267 380 T C 1.157 175.938 174.700 0.134 0.000 1.046 380 T CA 1.157 63.299 62.100 0.070 0.000 1.139 380 T CB -0.514 68.385 68.868 0.053 0.000 0.871 380 T HN 0.353 nan 8.240 nan 0.000 0.454 381 Y N 2.233 122.528 120.300 -0.008 0.000 2.224 381 Y HA -0.025 4.525 4.550 0.000 0.000 0.289 381 Y C 2.267 178.160 175.900 -0.010 0.000 1.146 381 Y CA 0.922 59.017 58.100 -0.008 0.000 1.182 381 Y CB -0.426 38.029 38.460 -0.008 0.000 0.983 381 Y HN 0.090 nan 8.280 nan 0.000 0.524 382 K N -0.605 119.782 120.400 -0.022 0.000 2.031 382 K HA -0.116 4.204 4.320 0.000 0.000 0.205 382 K C 2.279 178.835 176.600 -0.074 0.000 1.049 382 K CA 1.403 57.608 56.287 -0.137 0.000 0.939 382 K CB -0.081 32.360 32.500 -0.098 0.000 0.717 382 K HN 0.218 nan 8.250 nan 0.000 0.438 383 S N 1.480 117.168 115.700 -0.019 0.000 2.359 383 S HA -0.167 4.303 4.470 0.000 0.000 0.223 383 S C 1.842 176.444 174.600 0.002 0.000 1.039 383 S CA 1.486 59.681 58.200 -0.008 0.000 1.042 383 S CB -0.328 62.876 63.200 0.006 0.000 0.915 383 S HN 0.259 nan 8.310 nan 0.000 0.439 384 L N 1.521 122.766 121.223 0.037 0.000 2.291 384 L HA -0.091 4.249 4.340 0.000 0.000 0.214 384 L C 2.701 179.599 176.870 0.046 0.000 1.120 384 L CA 0.717 55.592 54.840 0.059 0.000 0.799 384 L CB -0.618 41.506 42.059 0.108 0.000 0.925 384 L HN 0.378 nan 8.230 nan 0.000 0.446 385 Q N 1.055 120.848 119.800 -0.012 0.000 2.084 385 Q HA -0.338 4.002 4.340 0.000 0.000 0.215 385 Q C 1.769 177.752 176.000 -0.028 0.000 1.020 385 Q CA 2.820 58.572 55.803 -0.085 0.000 0.887 385 Q CB -0.226 28.378 28.738 -0.223 0.000 0.975 385 Q HN 0.724 nan 8.270 nan 0.000 0.413 386 D N -0.180 120.202 120.400 -0.029 0.000 2.144 386 D HA -0.194 4.446 4.640 0.000 0.000 0.199 386 D C 1.911 178.212 176.300 0.002 0.000 0.984 386 D CA 1.215 55.205 54.000 -0.017 0.000 0.834 386 D CB -0.716 40.072 40.800 -0.020 0.000 0.955 386 D HN 0.479 nan 8.370 nan 0.000 0.465 387 I N -0.133 120.444 120.570 0.012 0.000 2.500 387 I HA -0.170 4.000 4.170 0.000 0.000 0.252 387 I C 2.114 178.248 176.117 0.028 0.000 1.142 387 I CA 0.264 61.574 61.300 0.018 0.000 1.451 387 I CB 0.100 38.111 38.000 0.017 0.000 1.093 387 I HN -0.141 nan 8.210 nan 0.000 0.430 388 I N 1.330 121.928 120.570 0.047 0.000 2.194 388 I HA -0.308 3.863 4.170 0.000 0.000 0.246 388 I C 2.817 178.962 176.117 0.048 0.000 1.093 388 I CA 1.820 63.159 61.300 0.064 0.000 1.355 388 I CB -1.732 36.346 38.000 0.130 0.000 1.046 388 I HN 0.244 nan 8.210 nan 0.000 0.413 389 A N 0.924 123.766 122.820 0.037 0.000 1.902 389 A HA -0.162 4.158 4.320 0.000 0.000 0.217 389 A C 2.249 179.843 177.584 0.017 0.000 1.181 389 A CA 1.298 53.349 52.037 0.024 0.000 0.623 389 A CB -0.462 18.544 19.000 0.010 0.000 0.818 389 A HN 0.283 nan 8.150 nan 0.000 0.443 390 I N -0.523 120.056 120.570 0.014 0.000 2.162 390 I HA -0.144 4.026 4.170 0.000 0.000 0.238 390 I C 2.406 178.530 176.117 0.012 0.000 1.076 390 I CA 1.344 62.650 61.300 0.011 0.000 1.353 390 I CB -1.288 36.717 38.000 0.008 0.000 1.063 390 I HN 0.286 nan 8.210 nan 0.000 0.408 391 L N -0.637 120.594 121.223 0.015 0.000 2.286 391 L HA 0.373 4.713 4.340 0.000 0.000 0.203 391 L C 1.077 177.956 176.870 0.015 0.000 1.068 391 L CA 0.580 55.428 54.840 0.013 0.000 0.811 391 L CB -0.422 41.644 42.059 0.012 0.000 0.989 391 L HN 0.432 nan 8.230 nan 0.000 0.467 392 G N -1.147 107.665 108.800 0.020 0.000 2.479 392 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 392 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 392 G C 0.048 174.959 174.900 0.020 0.000 1.295 392 G CA -0.369 44.744 45.100 0.021 0.000 0.922 392 G HN -0.173 nan 8.290 nan 0.000 0.582 393 M N 0.108 119.716 119.600 0.014 0.000 2.267 393 M HA -0.057 4.423 4.480 0.000 0.000 0.263 393 M C 1.768 178.069 176.300 0.001 0.000 1.063 393 M CA 1.892 57.194 55.300 0.004 0.000 1.090 393 M CB -0.994 31.600 32.600 -0.009 0.000 1.392 393 M HN 0.589 nan 8.290 nan 0.000 0.422 394 D N 0.333 120.734 120.400 0.003 0.000 2.350 394 D HA -0.091 4.549 4.640 0.000 0.000 0.216 394 D C 1.440 177.742 176.300 0.003 0.000 0.968 394 D CA 0.699 54.700 54.000 0.001 0.000 0.894 394 D CB -0.026 40.775 40.800 0.002 0.000 0.909 394 D HN 0.386 nan 8.370 nan 0.000 0.520 395 E N -0.152 120.052 120.200 0.006 0.000 2.474 395 E HA 0.131 4.481 4.350 0.000 0.000 0.195 395 E C 0.709 177.313 176.600 0.007 0.000 1.039 395 E CA -0.160 56.244 56.400 0.007 0.000 0.881 395 E CB 0.935 30.640 29.700 0.009 0.000 0.970 395 E HN 0.315 nan 8.360 nan 0.000 0.486 396 L N 1.926 123.152 121.223 0.006 0.000 2.357 396 L HA 0.161 4.501 4.340 0.000 0.000 0.273 396 L C 0.792 177.663 176.870 0.001 0.000 1.080 396 L CA -0.509 54.334 54.840 0.005 0.000 0.803 396 L CB 1.161 43.223 42.059 0.004 0.000 1.174 396 L HN -0.008 nan 8.230 nan 0.000 0.443 397 S N 0.985 116.687 115.700 0.002 0.000 2.579 397 S HA 0.075 4.545 4.470 0.000 0.000 0.275 397 S C 0.902 175.501 174.600 -0.002 0.000 1.345 397 S CA -0.731 57.469 58.200 0.001 0.000 1.031 397 S CB 1.115 64.316 63.200 0.003 0.000 0.892 397 S HN 0.614 nan 8.310 nan 0.000 0.529 398 E N 1.772 121.971 120.200 -0.003 0.000 2.068 398 E HA -0.295 4.055 4.350 0.000 0.000 0.207 398 E C 2.092 178.688 176.600 -0.007 0.000 1.032 398 E CA 2.094 58.490 56.400 -0.006 0.000 0.839 398 E CB -0.584 29.114 29.700 -0.004 0.000 0.758 398 E HN 0.810 nan 8.360 nan 0.000 0.457 399 Q N 0.416 120.214 119.800 -0.003 0.000 2.047 399 Q HA -0.215 4.125 4.340 0.000 0.000 0.211 399 Q C 2.006 178.003 176.000 -0.006 0.000 1.005 399 Q CA 1.962 57.764 55.803 -0.002 0.000 0.866 399 Q CB -0.147 28.592 28.738 0.002 0.000 0.938 399 Q HN 0.293 nan 8.270 nan 0.000 0.414 400 D N -0.114 120.284 120.400 -0.003 0.000 2.183 400 D HA -0.097 4.543 4.640 0.000 0.000 0.203 400 D C 1.591 177.879 176.300 -0.021 0.000 0.969 400 D CA 0.838 54.835 54.000 -0.004 0.000 0.842 400 D CB -0.062 40.742 40.800 0.007 0.000 0.957 400 D HN 0.142 nan 8.370 nan 0.000 0.484 401 K N 0.081 120.468 120.400 -0.021 0.000 2.147 401 K HA -0.097 4.223 4.320 0.000 0.000 0.205 401 K C 2.019 178.592 176.600 -0.046 0.000 1.049 401 K CA 0.492 56.759 56.287 -0.033 0.000 0.936 401 K CB 0.035 32.522 32.500 -0.022 0.000 0.722 401 K HN 0.005 nan 8.250 nan 0.000 0.446 402 L N -0.393 120.809 121.223 -0.035 0.000 2.168 402 L HA -0.056 4.284 4.340 0.000 0.000 0.203 402 L C 2.028 178.871 176.870 -0.046 0.000 1.078 402 L CA 1.335 56.154 54.840 -0.036 0.000 0.780 402 L CB -0.176 41.870 42.059 -0.021 0.000 0.939 402 L HN 0.059 nan 8.230 nan 0.000 0.451 403 T N -1.228 113.304 114.554 -0.037 0.000 2.746 403 T HA -0.158 4.193 4.350 0.000 0.000 0.267 403 T C 1.924 176.580 174.700 -0.073 0.000 1.039 403 T CA 1.533 63.614 62.100 -0.033 0.000 1.142 403 T CB -0.190 68.674 68.868 -0.007 0.000 0.866 403 T HN 0.091 nan 8.240 nan 0.000 0.444 404 V N 1.515 121.360 119.914 -0.114 0.000 2.287 404 V HA -0.200 3.921 4.120 0.000 0.000 0.248 404 V C 2.472 178.389 176.094 -0.295 0.000 1.053 404 V CA 1.783 63.922 62.300 -0.268 0.000 1.027 404 V CB -0.524 31.129 31.823 -0.285 0.000 0.646 404 V HN 0.556 nan 8.190 nan 0.000 0.447 405 E N -0.556 119.533 120.200 -0.186 0.000 2.150 405 E HA -0.177 4.173 4.350 0.000 0.000 0.193 405 E C 2.471 178.984 176.600 -0.145 0.000 0.985 405 E CA 0.832 57.139 56.400 -0.155 0.000 0.814 405 E CB -0.109 29.534 29.700 -0.096 0.000 0.752 405 E HN 0.520 nan 8.360 nan 0.000 0.466 406 R N 0.182 120.613 120.500 -0.115 0.000 2.115 406 R HA -0.004 4.336 4.340 0.000 0.000 0.226 406 R C 2.280 178.512 176.300 -0.113 0.000 1.100 406 R CA 0.896 56.932 56.100 -0.106 0.000 0.980 406 R CB -0.091 30.181 30.300 -0.046 0.000 0.875 406 R HN 0.069 nan 8.270 nan 0.000 0.445 407 A N 1.199 123.960 122.820 -0.100 0.000 1.873 407 A HA -0.126 4.194 4.320 0.000 0.000 0.215 407 A C 2.020 179.565 177.584 -0.065 0.000 1.186 407 A CA 0.967 52.977 52.037 -0.045 0.000 0.616 407 A CB -0.337 18.658 19.000 -0.008 0.000 0.823 407 A HN 0.165 nan 8.150 nan 0.000 0.442 408 R N -0.301 120.087 120.500 -0.186 0.000 2.170 408 R HA -0.156 4.184 4.340 0.000 0.000 0.242 408 R C 2.094 178.321 176.300 -0.122 0.000 1.145 408 R CA 1.761 57.776 56.100 -0.143 0.000 0.984 408 R CB -0.214 29.952 30.300 -0.224 0.000 0.869 408 R HN 0.530 nan 8.270 nan 0.000 0.455 409 K N 0.305 120.554 120.400 -0.251 0.000 2.021 409 K HA -0.011 4.309 4.320 0.000 0.000 0.205 409 K C 2.020 178.379 176.600 -0.401 0.000 1.047 409 K CA 1.018 56.980 56.287 -0.541 0.000 0.943 409 K CB -0.090 31.800 32.500 -1.017 0.000 0.725 409 K HN 0.038 nan 8.250 nan 0.000 0.439 410 I N 1.497 121.952 120.570 -0.191 0.000 2.236 410 I HA -0.379 3.791 4.170 0.000 0.000 0.249 410 I C 2.631 178.895 176.117 0.245 0.000 1.102 410 I CA 1.422 62.817 61.300 0.159 0.000 1.365 410 I CB -0.229 37.916 38.000 0.241 0.000 1.051 410 I HN 0.300 nan 8.210 nan 0.000 0.420 411 Q N 0.466 120.347 119.800 0.135 0.000 2.224 411 Q HA -0.170 4.170 4.340 0.000 0.000 0.203 411 Q C 2.160 178.263 176.000 0.171 0.000 0.970 411 Q CA 1.300 57.194 55.803 0.152 0.000 0.865 411 Q CB 0.145 28.972 28.738 0.148 0.000 0.922 411 Q HN 0.425 nan 8.270 nan 0.000 0.445 412 R N -1.483 119.124 120.500 0.177 0.000 2.254 412 R HA 0.028 4.368 4.340 0.000 0.000 0.195 412 R C 1.520 178.016 176.300 0.327 0.000 0.957 412 R CA 0.154 56.409 56.100 0.258 0.000 1.024 412 R CB 0.153 30.614 30.300 0.269 0.000 0.952 412 R HN 0.154 nan 8.270 nan 0.000 0.484 413 F N 0.925 120.947 119.950 0.120 0.000 2.367 413 F HA 0.086 4.613 4.527 0.000 0.000 0.298 413 F C 1.334 177.300 175.800 0.277 0.000 1.094 413 F CA 0.795 58.875 58.000 0.134 0.000 1.409 413 F CB 0.064 39.002 39.000 -0.103 0.000 1.064 413 F HN -0.091 nan 8.300 nan 0.000 0.528 414 L N -0.272 121.170 121.223 0.366 0.000 2.478 414 L HA -0.015 4.325 4.340 0.000 0.000 0.223 414 L C 1.202 178.133 176.870 0.100 0.000 1.140 414 L CA 0.345 55.308 54.840 0.205 0.000 0.842 414 L CB -0.837 41.309 42.059 0.145 0.000 0.953 414 L HN 0.072 nan 8.230 nan 0.000 0.452 415 S N -0.387 115.367 115.700 0.090 0.000 2.584 415 S HA 0.413 4.883 4.470 0.000 0.000 0.273 415 S C -0.420 174.146 174.600 -0.056 0.000 1.311 415 S CA -0.549 57.642 58.200 -0.016 0.000 1.034 415 S CB 2.071 65.231 63.200 -0.068 0.000 0.939 415 S HN 0.255 nan 8.310 nan 0.000 0.513 416 Q N 1.225 120.944 119.800 -0.135 0.000 2.309 416 Q HA 0.465 4.805 4.340 0.000 0.000 0.273 416 Q C -3.017 172.889 176.000 -0.157 0.000 1.040 416 Q CA -2.296 53.453 55.803 -0.090 0.000 0.834 416 Q CB 2.456 31.214 28.738 0.033 0.000 1.345 416 Q HN 0.526 nan 8.270 nan 0.000 0.414 417 P HA 0.184 nan 4.420 nan 0.000 0.282 417 P C -1.102 176.324 177.300 0.209 0.000 1.262 417 P CA -0.068 63.031 63.100 -0.002 0.000 0.773 417 P CB 0.321 32.023 31.700 0.004 0.000 0.879 418 F N 1.754 121.679 119.950 -0.042 0.000 2.399 418 F HA 0.374 4.901 4.527 0.000 0.000 0.334 418 F C 1.712 177.488 175.800 -0.039 0.000 1.097 418 F CA -1.454 56.511 58.000 -0.057 0.000 1.076 418 F CB 0.809 39.766 39.000 -0.073 0.000 1.162 418 F HN 0.381 nan 8.300 nan 0.000 0.495 419 A N 2.812 125.684 122.820 0.088 0.000 1.969 419 A HA -0.043 4.278 4.320 0.000 0.000 0.218 419 A C 1.942 179.542 177.584 0.027 0.000 1.169 419 A CA 1.635 53.685 52.037 0.022 0.000 0.635 419 A CB -0.681 18.296 19.000 -0.037 0.000 0.810 419 A HN 0.533 nan 8.150 nan 0.000 0.445 420 V N -0.883 119.052 119.914 0.035 0.000 2.719 420 V HA 0.031 4.151 4.120 0.000 0.000 0.252 420 V C 1.880 178.050 176.094 0.127 0.000 1.065 420 V CA 1.308 63.638 62.300 0.050 0.000 1.086 420 V CB -0.713 31.125 31.823 0.025 0.000 0.700 420 V HN 0.537 nan 8.190 nan 0.000 0.467 421 A N -0.249 122.687 122.820 0.193 0.000 3.293 421 A HA 0.316 4.636 4.320 0.000 0.000 0.282 421 A C 1.419 179.098 177.584 0.159 0.000 1.394 421 A CA -0.151 52.036 52.037 0.251 0.000 1.118 421 A CB -0.280 18.845 19.000 0.208 0.000 1.133 421 A HN 0.480 nan 8.150 nan 0.000 0.627 422 E N -0.337 119.903 120.200 0.066 0.000 2.140 422 E HA -0.058 4.292 4.350 0.000 0.000 0.191 422 E C 1.252 177.806 176.600 -0.077 0.000 0.973 422 E CA 0.873 57.276 56.400 0.004 0.000 0.829 422 E CB 0.168 29.859 29.700 -0.016 0.000 0.781 422 E HN 0.412 nan 8.360 nan 0.000 0.466 423 V N 0.789 120.573 119.914 -0.217 0.000 2.867 423 V HA -0.192 3.928 4.120 0.000 0.000 0.260 423 V C 1.226 176.955 176.094 -0.607 0.000 1.099 423 V CA 1.421 63.427 62.300 -0.490 0.000 1.122 423 V CB -0.500 30.855 31.823 -0.780 0.000 0.708 423 V HN 0.270 nan 8.190 nan 0.000 0.490 424 F N -0.172 119.757 119.950 -0.034 0.000 2.557 424 F HA 0.046 4.573 4.527 0.000 0.000 0.278 424 F C 2.596 178.375 175.800 -0.034 0.000 1.051 424 F CA 0.954 58.925 58.000 -0.049 0.000 1.357 424 F CB -1.052 37.881 39.000 -0.111 0.000 1.104 424 F HN 0.119 nan 8.300 nan 0.000 0.654 425 T N -2.530 112.105 114.554 0.135 0.000 2.962 425 T HA 0.259 4.609 4.350 0.000 0.000 0.270 425 T C 2.058 176.797 174.700 0.065 0.000 1.088 425 T CA 1.205 63.351 62.100 0.076 0.000 1.127 425 T CB -0.457 68.427 68.868 0.027 0.000 0.883 425 T HN 0.531 nan 8.240 nan 0.000 0.493 426 G N 2.241 111.063 108.800 0.037 0.000 2.454 426 G HA2 -0.259 3.701 3.960 0.000 0.000 0.225 426 G HA3 -0.259 3.701 3.960 0.000 0.000 0.225 426 G C 0.191 175.099 174.900 0.014 0.000 1.138 426 G CA 0.049 45.162 45.100 0.022 0.000 0.667 426 G HN 1.033 nan 8.290 nan 0.000 0.512 427 I N 0.661 121.244 120.570 0.022 0.000 2.677 427 I HA 0.650 4.820 4.170 0.000 0.000 0.305 427 I C -1.875 174.250 176.117 0.013 0.000 0.988 427 I CA -2.721 58.589 61.300 0.016 0.000 1.260 427 I CB 1.004 39.016 38.000 0.020 0.000 1.410 427 I HN -0.012 nan 8.210 nan 0.000 0.523 428 P HA 0.068 nan 4.420 nan 0.000 0.267 428 P C -0.000 177.313 177.300 0.022 0.000 1.200 428 P CA 0.072 63.178 63.100 0.010 0.000 0.772 428 P CB 0.251 31.953 31.700 0.003 0.000 0.855 429 G N 2.436 111.255 108.800 0.031 0.000 2.432 429 G HA2 0.343 4.303 3.960 0.000 0.000 0.257 429 G HA3 0.343 4.303 3.960 0.000 0.000 0.257 429 G C -0.520 174.402 174.900 0.038 0.000 1.238 429 G CA -0.555 44.579 45.100 0.058 0.000 0.838 429 G HN 0.365 nan 8.290 nan 0.000 0.547 430 K N 2.460 122.892 120.400 0.053 0.000 2.463 430 K HA 0.311 4.631 4.320 0.000 0.000 0.255 430 K C -0.829 175.790 176.600 0.031 0.000 0.942 430 K CA -0.726 55.579 56.287 0.030 0.000 0.814 430 K CB 2.733 35.248 32.500 0.024 0.000 1.122 430 K HN 0.395 nan 8.250 nan 0.000 0.425 431 L N 2.938 124.162 121.223 0.002 0.000 2.395 431 L HA 0.334 4.675 4.340 0.000 0.000 0.269 431 L C -0.879 175.988 176.870 -0.004 0.000 1.133 431 L CA -0.565 54.267 54.840 -0.012 0.000 0.812 431 L CB 0.964 43.002 42.059 -0.034 0.000 1.125 431 L HN 0.332 nan 8.230 nan 0.000 0.452 432 V N 4.711 124.621 119.914 -0.006 0.000 2.638 432 V HA 0.479 4.599 4.120 0.000 0.000 0.306 432 V C -0.291 175.797 176.094 -0.011 0.000 1.052 432 V CA -0.832 61.464 62.300 -0.007 0.000 0.885 432 V CB 1.708 33.524 31.823 -0.012 0.000 0.999 432 V HN 0.720 nan 8.190 nan 0.000 0.424 433 R N 2.931 123.427 120.500 -0.006 0.000 2.438 433 R HA 0.305 4.645 4.340 0.000 0.000 0.287 433 R C 1.274 177.568 176.300 -0.009 0.000 1.077 433 R CA -0.455 55.642 56.100 -0.005 0.000 1.034 433 R CB 1.200 31.501 30.300 0.001 0.000 0.993 433 R HN 0.755 nan 8.270 nan 0.000 0.459 434 L N 3.644 124.861 121.223 -0.010 0.000 2.021 434 L HA -0.313 4.027 4.340 0.000 0.000 0.215 434 L C 1.983 178.823 176.870 -0.050 0.000 1.074 434 L CA 1.959 56.783 54.840 -0.027 0.000 0.760 434 L CB -0.096 41.972 42.059 0.015 0.000 0.889 434 L HN 0.604 nan 8.230 nan 0.000 0.433 435 K N -0.791 119.600 120.400 -0.015 0.000 2.057 435 K HA -0.221 4.099 4.320 0.000 0.000 0.207 435 K C 1.923 178.522 176.600 -0.002 0.000 1.049 435 K CA 1.666 57.948 56.287 -0.008 0.000 0.931 435 K CB -0.319 32.189 32.500 0.014 0.000 0.714 435 K HN 0.481 nan 8.250 nan 0.000 0.440 436 D N 0.121 120.525 120.400 0.007 0.000 2.149 436 D HA -0.082 4.558 4.640 0.000 0.000 0.201 436 D C 1.537 177.860 176.300 0.038 0.000 0.972 436 D CA 1.072 55.086 54.000 0.024 0.000 0.835 436 D CB 0.265 41.078 40.800 0.021 0.000 0.966 436 D HN 0.097 nan 8.370 nan 0.000 0.476 437 T N 0.425 114.989 114.554 0.016 0.000 2.622 437 T HA -0.129 4.221 4.350 0.000 0.000 0.266 437 T C 2.220 176.975 174.700 0.091 0.000 1.047 437 T CA 1.161 63.289 62.100 0.046 0.000 1.159 437 T CB -0.486 68.369 68.868 -0.022 0.000 0.863 437 T HN -0.031 nan 8.240 nan 0.000 0.422 438 V N 1.784 121.666 119.914 -0.053 0.000 2.278 438 V HA -0.253 3.867 4.120 0.000 0.000 0.251 438 V C 2.760 178.889 176.094 0.059 0.000 1.062 438 V CA 2.021 64.266 62.300 -0.093 0.000 1.038 438 V CB -1.067 30.621 31.823 -0.225 0.000 0.646 438 V HN 0.594 nan 8.190 nan 0.000 0.447 439 A N -1.767 121.095 122.820 0.070 0.000 2.208 439 A HA -0.033 4.287 4.320 0.000 0.000 0.209 439 A C 2.371 180.045 177.584 0.149 0.000 1.161 439 A CA 1.372 53.470 52.037 0.102 0.000 0.782 439 A CB -0.259 18.786 19.000 0.075 0.000 0.816 439 A HN 0.456 nan 8.150 nan 0.000 0.477 440 S N -1.044 114.764 115.700 0.181 0.000 2.341 440 S HA -0.015 4.455 4.470 0.000 0.000 0.216 440 S C 1.583 176.349 174.600 0.276 0.000 1.034 440 S CA 0.981 59.308 58.200 0.211 0.000 0.964 440 S CB -0.450 62.877 63.200 0.212 0.000 0.882 440 S HN 0.471 nan 8.310 nan 0.000 0.469 441 F N 2.227 122.331 119.950 0.257 0.000 2.216 441 F HA 0.020 4.547 4.527 0.000 0.000 0.300 441 F C 2.319 178.222 175.800 0.171 0.000 1.085 441 F CA 1.454 59.606 58.000 0.254 0.000 1.326 441 F CB -0.315 38.765 39.000 0.134 0.000 1.027 441 F HN 0.216 nan 8.300 nan 0.000 0.497 442 K N 0.542 121.123 120.400 0.302 0.000 2.020 442 K HA -0.240 4.080 4.320 0.000 0.000 0.212 442 K C 2.279 178.989 176.600 0.184 0.000 1.050 442 K CA 1.516 57.922 56.287 0.199 0.000 0.929 442 K CB -0.384 32.204 32.500 0.147 0.000 0.714 442 K HN 0.204 nan 8.250 nan 0.000 0.443 443 A N 0.394 123.339 122.820 0.209 0.000 1.933 443 A HA -0.104 4.216 4.320 0.000 0.000 0.218 443 A C 2.191 179.918 177.584 0.239 0.000 1.175 443 A CA 1.705 53.876 52.037 0.224 0.000 0.628 443 A CB -0.523 18.685 19.000 0.347 0.000 0.814 443 A HN 0.201 nan 8.150 nan 0.000 0.444 444 V N 0.014 120.089 119.914 0.269 0.000 2.515 444 V HA -0.208 3.912 4.120 0.000 0.000 0.250 444 V C 2.380 178.560 176.094 0.144 0.000 1.058 444 V CA 1.615 64.050 62.300 0.224 0.000 1.064 444 V CB -0.805 31.094 31.823 0.126 0.000 0.675 444 V HN 0.559 nan 8.190 nan 0.000 0.461 445 L N -0.232 121.082 121.223 0.152 0.000 2.362 445 L HA -0.119 4.221 4.340 0.000 0.000 0.219 445 L C 2.118 179.033 176.870 0.074 0.000 1.134 445 L CA 1.257 56.164 54.840 0.111 0.000 0.807 445 L CB -0.371 41.761 42.059 0.121 0.000 0.927 445 L HN 0.385 nan 8.230 nan 0.000 0.447 446 E N -0.478 119.764 120.200 0.071 0.000 2.474 446 E HA 0.130 4.481 4.350 0.000 0.000 0.195 446 E C 1.173 177.781 176.600 0.013 0.000 1.039 446 E CA 0.429 56.851 56.400 0.037 0.000 0.881 446 E CB 0.522 30.240 29.700 0.031 0.000 0.970 446 E HN 0.374 nan 8.360 nan 0.000 0.486 447 G N 1.938 110.754 108.800 0.026 0.000 2.176 447 G HA2 -0.368 3.592 3.960 0.000 0.000 0.252 447 G HA3 -0.368 3.592 3.960 0.000 0.000 0.252 447 G C 0.779 175.648 174.900 -0.050 0.000 1.024 447 G CA 0.613 45.718 45.100 0.007 0.000 0.755 447 G HN 0.243 nan 8.290 nan 0.000 0.507 448 K N -1.259 119.073 120.400 -0.114 0.000 2.211 448 K HA 0.000 4.320 4.320 0.000 0.000 0.203 448 K C 0.291 176.530 176.600 -0.602 0.000 1.050 448 K CA 1.181 57.228 56.287 -0.399 0.000 0.945 448 K CB 0.033 32.191 32.500 -0.570 0.000 0.732 448 K HN 0.619 nan 8.250 nan 0.000 0.451 449 Y N -0.014 120.301 120.300 0.025 0.000 2.562 449 Y HA 0.172 4.722 4.550 0.000 0.000 0.363 449 Y C 0.023 175.967 175.900 0.072 0.000 0.991 449 Y CA -0.735 57.389 58.100 0.041 0.000 1.121 449 Y CB 0.694 39.183 38.460 0.048 0.000 1.159 449 Y HN -0.095 nan 8.280 nan 0.000 0.651 450 D N 0.269 120.734 120.400 0.108 0.000 2.338 450 D HA -0.082 4.558 4.640 0.000 0.000 0.208 450 D C 1.410 177.753 176.300 0.072 0.000 0.997 450 D CA 0.860 54.905 54.000 0.076 0.000 0.880 450 D CB 0.181 40.995 40.800 0.023 0.000 0.980 450 D HN 0.483 nan 8.370 nan 0.000 0.509 451 N N 0.586 119.324 118.700 0.063 0.000 2.398 451 N HA -0.017 4.723 4.740 0.000 0.000 0.188 451 N C 0.427 175.978 175.510 0.067 0.000 1.122 451 N CA -0.023 53.056 53.050 0.049 0.000 0.866 451 N CB 0.115 38.616 38.487 0.024 0.000 0.970 451 N HN 0.170 nan 8.380 nan 0.000 0.462 452 I N 1.758 122.395 120.570 0.112 0.000 2.441 452 I HA 0.174 4.344 4.170 0.000 0.000 0.287 452 I C -1.878 174.335 176.117 0.161 0.000 1.049 452 I CA -1.958 59.403 61.300 0.100 0.000 1.381 452 I CB 0.795 38.830 38.000 0.059 0.000 1.409 452 I HN -0.183 nan 8.210 nan 0.000 0.523 453 P HA -0.011 nan 4.420 nan 0.000 0.269 453 P C 0.237 177.695 177.300 0.263 0.000 1.211 453 P CA 0.022 63.206 63.100 0.139 0.000 0.781 453 P CB 0.514 32.274 31.700 0.100 0.000 0.877 454 E N 0.041 120.372 120.200 0.218 0.000 2.160 454 E HA -0.256 4.094 4.350 0.000 0.000 0.195 454 E C 1.716 178.512 176.600 0.328 0.000 0.991 454 E CA 0.951 57.489 56.400 0.231 0.000 0.810 454 E CB -0.277 29.482 29.700 0.097 0.000 0.742 454 E HN 0.566 nan 8.360 nan 0.000 0.466 455 H N -0.202 118.965 119.070 0.162 0.000 2.423 455 H HA 0.051 4.607 4.556 0.000 0.000 0.297 455 H C 1.868 177.282 175.328 0.144 0.000 1.075 455 H CA 1.132 57.261 56.048 0.136 0.000 1.342 455 H CB 0.232 30.029 29.762 0.058 0.000 1.395 455 H HN 0.155 nan 8.280 nan 0.000 0.530 456 A N -0.150 122.755 122.820 0.141 0.000 2.216 456 A HA -0.096 4.224 4.320 0.000 0.000 0.214 456 A C 1.595 179.001 177.584 -0.296 0.000 1.160 456 A CA 0.707 52.681 52.037 -0.106 0.000 0.725 456 A CB -0.774 18.070 19.000 -0.260 0.000 0.784 456 A HN 0.286 nan 8.150 nan 0.000 0.472 457 F N -2.827 117.088 119.950 -0.058 0.000 2.582 457 F HA 0.176 4.703 4.527 0.000 0.000 0.290 457 F C 0.828 176.667 175.800 0.065 0.000 1.115 457 F CA -0.237 57.705 58.000 -0.096 0.000 1.445 457 F CB -0.144 38.754 39.000 -0.170 0.000 1.126 457 F HN 0.278 nan 8.300 nan 0.000 0.574 458 Y N 1.985 122.336 120.300 0.086 0.000 2.697 458 Y HA 0.259 4.809 4.550 0.000 0.000 0.349 458 Y C 0.591 176.504 175.900 0.020 0.000 1.120 458 Y CA -0.936 57.168 58.100 0.008 0.000 1.468 458 Y CB -0.028 38.307 38.460 -0.207 0.000 1.182 458 Y HN 0.213 nan 8.280 nan 0.000 0.525 459 M N 4.695 124.079 119.600 -0.360 0.000 2.465 459 M HA -0.154 4.326 4.480 0.000 0.000 0.203 459 M C -1.639 174.599 176.300 -0.104 0.000 0.578 459 M CA 1.062 56.151 55.300 -0.351 0.000 0.539 459 M CB -1.407 30.844 32.600 -0.582 0.000 1.704 459 M HN 0.463 nan 8.290 nan 0.000 0.872 460 V N -2.976 116.934 119.914 -0.006 0.000 3.119 460 V HA 1.111 5.231 4.120 0.000 0.000 0.311 460 V C 0.962 177.091 176.094 0.058 0.000 1.259 460 V CA -0.200 62.118 62.300 0.029 0.000 1.067 460 V CB 1.198 33.038 31.823 0.030 0.000 1.123 460 V HN 0.443 nan 8.190 nan 0.000 0.463 461 G N -0.149 108.682 108.800 0.052 0.000 3.107 461 G HA2 0.511 4.471 3.960 0.000 0.000 0.155 461 G HA3 0.511 4.471 3.960 0.000 0.000 0.155 461 G C 0.517 175.458 174.900 0.069 0.000 1.875 461 G CA 0.103 45.228 45.100 0.043 0.000 1.004 461 G HN 1.411 nan 8.290 nan 0.000 0.480 462 G N -1.258 107.580 108.800 0.063 0.000 2.606 462 G HA2 0.371 4.331 3.960 0.000 0.000 0.262 462 G HA3 0.371 4.331 3.960 0.000 0.000 0.262 462 G C 0.933 175.934 174.900 0.168 0.000 1.394 462 G CA -0.025 45.139 45.100 0.107 0.000 1.044 462 G HN 0.393 nan 8.290 nan 0.000 0.553 463 I N 0.074 120.729 120.570 0.142 0.000 2.248 463 I HA -0.160 4.011 4.170 0.000 0.000 0.248 463 I C 2.591 178.629 176.117 -0.133 0.000 1.107 463 I CA 1.616 62.881 61.300 -0.057 0.000 1.373 463 I CB -0.085 37.849 38.000 -0.109 0.000 1.055 463 I HN 0.528 nan 8.210 nan 0.000 0.418 464 E N 0.141 120.309 120.200 -0.053 0.000 2.118 464 E HA -0.235 4.115 4.350 0.000 0.000 0.195 464 E C 1.665 178.224 176.600 -0.068 0.000 0.992 464 E CA 1.561 57.930 56.400 -0.052 0.000 0.804 464 E CB -0.407 29.282 29.700 -0.018 0.000 0.741 464 E HN 0.643 nan 8.360 nan 0.000 0.458 465 D N 0.482 120.849 120.400 -0.055 0.000 2.277 465 D HA -0.060 4.580 4.640 0.000 0.000 0.208 465 D C 2.115 178.344 176.300 -0.119 0.000 0.962 465 D CA 0.456 54.422 54.000 -0.056 0.000 0.865 465 D CB 0.279 41.070 40.800 -0.014 0.000 0.939 465 D HN 0.041 nan 8.370 nan 0.000 0.510 466 V N 1.019 120.807 119.914 -0.210 0.000 2.307 466 V HA -0.186 3.934 4.120 0.000 0.000 0.245 466 V C 2.768 178.662 176.094 -0.332 0.000 1.045 466 V CA 0.816 62.875 62.300 -0.401 0.000 1.024 466 V CB -0.608 30.770 31.823 -0.740 0.000 0.651 466 V HN 0.019 nan 8.190 nan 0.000 0.449 467 V N 0.688 120.445 119.914 -0.262 0.000 2.278 467 V HA -0.358 3.762 4.120 0.000 0.000 0.251 467 V C 2.694 178.722 176.094 -0.111 0.000 1.062 467 V CA 2.507 64.712 62.300 -0.158 0.000 1.038 467 V CB -1.087 30.678 31.823 -0.097 0.000 0.646 467 V HN 0.592 nan 8.190 nan 0.000 0.447 468 A N -1.268 121.494 122.820 -0.097 0.000 2.016 468 A HA -0.148 4.172 4.320 0.000 0.000 0.217 468 A C 2.312 179.861 177.584 -0.058 0.000 1.162 468 A CA 1.641 53.640 52.037 -0.062 0.000 0.662 468 A CB -0.329 18.645 19.000 -0.045 0.000 0.812 468 A HN 0.530 nan 8.150 nan 0.000 0.450 469 K N -0.340 120.011 120.400 -0.082 0.000 2.116 469 K HA 0.096 4.416 4.320 0.000 0.000 0.203 469 K C 2.067 178.636 176.600 -0.052 0.000 1.052 469 K CA 0.868 57.122 56.287 -0.055 0.000 0.952 469 K CB -0.207 32.259 32.500 -0.057 0.000 0.729 469 K HN 0.342 nan 8.250 nan 0.000 0.446 470 A N 1.177 123.942 122.820 -0.093 0.000 2.015 470 A HA -0.116 4.204 4.320 0.000 0.000 0.219 470 A C 1.250 178.808 177.584 -0.042 0.000 1.163 470 A CA 1.268 53.262 52.037 -0.071 0.000 0.646 470 A CB -0.207 18.732 19.000 -0.102 0.000 0.806 470 A HN 0.387 nan 8.150 nan 0.000 0.448 471 E N -0.855 119.320 120.200 -0.042 0.000 2.403 471 E HA 0.084 4.434 4.350 0.000 0.000 0.188 471 E C 0.953 177.541 176.600 -0.020 0.000 1.056 471 E CA -0.092 56.292 56.400 -0.027 0.000 0.892 471 E CB 0.209 29.894 29.700 -0.026 0.000 1.049 471 E HN 0.448 nan 8.360 nan 0.000 0.465 472 K N -0.051 120.338 120.400 -0.018 0.000 2.399 472 K HA 0.180 4.500 4.320 0.000 0.000 0.196 472 K C 1.667 178.264 176.600 -0.006 0.000 1.103 472 K CA 0.009 56.291 56.287 -0.008 0.000 0.986 472 K CB 0.631 33.130 32.500 -0.002 0.000 0.952 472 K HN 0.119 nan 8.250 nan 0.000 0.541 473 L N 0.835 122.053 121.223 -0.008 0.000 2.071 473 L HA 0.094 4.434 4.340 0.000 0.000 0.201 473 L C 1.517 178.379 176.870 -0.013 0.000 1.076 473 L CA 0.375 55.208 54.840 -0.011 0.000 0.755 473 L CB -0.478 41.575 42.059 -0.011 0.000 0.915 473 L HN 0.003 nan 8.230 nan 0.000 0.445 474 A N 0.000 122.812 122.820 -0.013 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 474 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486