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 1l6g_1_B DATA FIRST_RESID 2 DATA SEQUENCE NDFHRDTWAE VDLDAIYDNV ENLRRLLPDD THIMAVVKAN AYGHGDVQVA DATA SEQUENCE RTALEAGASR LAVAFLDEAL ALREKGIEAP ILVLGASRPA DAALAAQQRI DATA SEQUENCE ALTVFRSDWL EEASALYSGP FPIHFHLXMD TGMGRLGVKD EEETKRIVAL DATA SEQUENCE IERHPHFVLE GLYTHFATAD EVNTDYFSYQ YTRFLHMLEW LPSRPPLVHC DATA SEQUENCE ANSAASLRFP DRTFNMVRFG IAMYGLAPSP GIKPLLPYPL KEAFSLHSRL DATA SEQUENCE VHVKKLQPGE KVSYGATYTA QTEEWIGTIP IGYADGWLRR LQHFHVLVDG DATA SEQUENCE QKAPIVGRIC MDQCMIRLPG PLPVGTKVTL IGRQGDEVIS IDDVARHLET DATA SEQUENCE INYEVPCTIS YRVPRIFFRH KRIMEVRNAI GR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.539 175.510 0.048 0.000 1.280 2 N CA 0.000 53.089 53.050 0.064 0.000 0.885 2 N CB 0.000 38.550 38.487 0.106 0.000 1.341 3 D N 0.546 120.963 120.400 0.028 0.000 2.523 3 D HA 0.688 5.328 4.640 -0.000 0.000 0.236 3 D C -1.530 174.730 176.300 -0.067 0.000 1.094 3 D CA -0.185 53.751 54.000 -0.108 0.000 0.942 3 D CB 1.430 42.120 40.800 -0.182 0.000 1.447 3 D HN 0.291 nan 8.370 nan 0.000 0.479 4 F N -0.911 118.815 119.950 -0.373 0.000 2.613 4 F HA 0.519 5.046 4.527 -0.000 0.000 0.310 4 F C -0.236 175.203 175.800 -0.603 0.000 1.085 4 F CA -0.728 57.056 58.000 -0.361 0.000 0.945 4 F CB 1.533 40.449 39.000 -0.140 0.000 1.298 4 F HN 0.258 nan 8.300 nan 0.000 0.455 5 H N 0.877 120.057 119.070 0.183 0.000 2.475 5 H HA 0.341 4.897 4.556 -0.000 0.000 0.276 5 H C -0.594 174.813 175.328 0.131 0.000 1.126 5 H CA -0.180 55.915 56.048 0.078 0.000 1.023 5 H CB 0.564 30.347 29.762 0.035 0.000 1.669 5 H HN 0.621 nan 8.280 nan 0.000 0.573 6 R N 1.062 121.744 120.500 0.304 0.000 2.628 6 R HA 0.140 4.480 4.340 -0.000 0.000 0.288 6 R C -1.164 175.333 176.300 0.328 0.000 0.980 6 R CA -0.598 55.645 56.100 0.237 0.000 0.891 6 R CB 1.304 31.702 30.300 0.165 0.000 1.188 6 R HN -0.085 nan 8.270 nan 0.000 0.450 7 D N 3.135 123.696 120.400 0.267 0.000 2.885 7 D HA 0.108 4.748 4.640 -0.000 0.000 0.234 7 D C -0.847 175.724 176.300 0.452 0.000 1.129 7 D CA 0.691 54.923 54.000 0.386 0.000 0.991 7 D CB 0.577 41.543 40.800 0.277 0.000 1.137 7 D HN 0.361 nan 8.370 nan 0.000 0.459 8 T N 0.864 115.672 114.554 0.422 0.000 2.991 8 T HA 0.512 4.862 4.350 -0.000 0.000 0.303 8 T C -1.005 173.781 174.700 0.143 0.000 1.015 8 T CA -0.894 61.297 62.100 0.152 0.000 1.007 8 T CB 1.285 70.132 68.868 -0.034 0.000 1.034 8 T HN 0.345 nan 8.240 nan 0.000 0.446 9 W N 1.870 123.033 121.300 -0.227 0.000 3.275 9 W HA 0.811 5.471 4.660 -0.000 0.000 0.306 9 W C -1.568 174.809 176.519 -0.237 0.000 1.259 9 W CA -1.327 55.812 57.345 -0.344 0.000 1.194 9 W CB 0.440 29.618 29.460 -0.469 0.000 1.375 9 W HN 0.784 nan 8.180 nan 0.000 0.564 10 A N 1.496 124.148 122.820 -0.281 0.000 2.294 10 A HA 0.830 5.150 4.320 -0.000 0.000 0.330 10 A C -0.956 176.450 177.584 -0.297 0.000 1.133 10 A CA -0.771 50.963 52.037 -0.505 0.000 0.836 10 A CB 1.365 19.972 19.000 -0.654 0.000 1.190 10 A HN 0.692 nan 8.150 nan 0.000 0.492 11 E N 0.059 120.036 120.200 -0.373 0.000 2.256 11 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 11 E C -1.653 174.819 176.600 -0.214 0.000 0.877 11 E CA -0.589 55.765 56.400 -0.076 0.000 0.757 11 E CB 2.335 32.155 29.700 0.199 0.000 1.183 11 E HN 0.345 nan 8.360 nan 0.000 0.418 12 V N 2.841 122.679 119.914 -0.126 0.000 2.357 12 V HA 0.139 4.259 4.120 -0.000 0.000 0.284 12 V C -0.425 175.815 176.094 0.243 0.000 1.018 12 V CA -0.785 61.540 62.300 0.042 0.000 0.841 12 V CB 1.528 33.383 31.823 0.053 0.000 0.991 12 V HN 0.638 nan 8.190 nan 0.000 0.437 13 D N 4.512 125.048 120.400 0.226 0.000 2.422 13 D HA 0.235 4.875 4.640 -0.000 0.000 0.227 13 D C 0.935 177.371 176.300 0.227 0.000 1.190 13 D CA -0.060 54.070 54.000 0.216 0.000 0.905 13 D CB 1.176 42.042 40.800 0.111 0.000 1.034 13 D HN 0.472 nan 8.370 nan 0.000 0.507 14 L N 2.467 123.840 121.223 0.249 0.000 2.376 14 L HA -0.063 4.277 4.340 -0.000 0.000 0.219 14 L C 1.428 178.376 176.870 0.131 0.000 1.133 14 L CA 0.441 55.399 54.840 0.196 0.000 0.816 14 L CB 0.037 42.202 42.059 0.177 0.000 0.933 14 L HN 0.270 nan 8.230 nan 0.000 0.449 15 D N 0.422 120.880 120.400 0.097 0.000 2.183 15 D HA -0.084 4.556 4.640 -0.000 0.000 0.203 15 D C 2.242 178.623 176.300 0.135 0.000 0.969 15 D CA 1.261 55.300 54.000 0.065 0.000 0.842 15 D CB 0.185 41.000 40.800 0.025 0.000 0.957 15 D HN 0.287 nan 8.370 nan 0.000 0.484 16 A N 0.791 123.687 122.820 0.127 0.000 1.873 16 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 16 A C 2.337 179.995 177.584 0.122 0.000 1.186 16 A CA 0.744 52.856 52.037 0.124 0.000 0.616 16 A CB -0.690 18.382 19.000 0.121 0.000 0.823 16 A HN 0.145 nan 8.150 nan 0.000 0.442 17 I N -1.946 118.693 120.570 0.114 0.000 2.208 17 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 17 I C 2.442 178.602 176.117 0.071 0.000 1.097 17 I CA 1.830 63.158 61.300 0.047 0.000 1.363 17 I CB -0.360 37.659 38.000 0.032 0.000 1.051 17 I HN 0.558 nan 8.210 nan 0.000 0.413 18 Y N 1.792 122.093 120.300 0.001 0.000 2.128 18 Y HA -0.348 4.202 4.550 -0.000 0.000 0.284 18 Y C 2.229 178.126 175.900 -0.004 0.000 1.154 18 Y CA 1.999 60.094 58.100 -0.009 0.000 1.149 18 Y CB -0.208 38.241 38.460 -0.018 0.000 0.976 18 Y HN 0.190 nan 8.280 nan 0.000 0.505 19 D N -0.176 120.343 120.400 0.198 0.000 2.144 19 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 19 D C 1.742 178.050 176.300 0.013 0.000 0.984 19 D CA 1.265 55.323 54.000 0.097 0.000 0.834 19 D CB -0.408 40.471 40.800 0.133 0.000 0.955 19 D HN 0.426 nan 8.370 nan 0.000 0.465 20 N N 0.164 118.922 118.700 0.097 0.000 2.166 20 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 20 N C 1.972 177.599 175.510 0.195 0.000 1.019 20 N CA 0.524 53.714 53.050 0.233 0.000 0.856 20 N CB -0.288 38.324 38.487 0.207 0.000 0.993 20 N HN 0.124 nan 8.380 nan 0.000 0.426 21 V N 1.244 121.177 119.914 0.032 0.000 2.407 21 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 21 V C 2.370 178.293 176.094 -0.285 0.000 1.041 21 V CA 1.417 63.654 62.300 -0.106 0.000 1.040 21 V CB -0.513 31.232 31.823 -0.130 0.000 0.671 21 V HN 0.325 nan 8.190 nan 0.000 0.455 22 E N 0.655 120.634 120.200 -0.369 0.000 2.118 22 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 22 E C 2.025 178.425 176.600 -0.332 0.000 0.992 22 E CA 1.656 57.823 56.400 -0.387 0.000 0.804 22 E CB -0.158 29.282 29.700 -0.435 0.000 0.741 22 E HN 0.539 nan 8.360 nan 0.000 0.458 23 N N 0.362 118.820 118.700 -0.404 0.000 2.223 23 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 23 N C 1.787 176.931 175.510 -0.611 0.000 1.016 23 N CA 0.818 53.474 53.050 -0.656 0.000 0.863 23 N CB -0.183 37.541 38.487 -1.272 0.000 0.983 23 N HN 0.251 nan 8.380 nan 0.000 0.429 24 L N 1.174 122.141 121.223 -0.427 0.000 2.179 24 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 24 L C 2.220 178.930 176.870 -0.266 0.000 1.096 24 L CA 1.294 55.958 54.840 -0.293 0.000 0.779 24 L CB -0.342 41.391 42.059 -0.544 0.000 0.922 24 L HN -0.107 nan 8.230 nan 0.000 0.443 25 R N -0.225 120.108 120.500 -0.277 0.000 2.152 25 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 25 R C 2.276 178.475 176.300 -0.167 0.000 1.117 25 R CA 1.504 57.476 56.100 -0.212 0.000 0.981 25 R CB -0.263 29.910 30.300 -0.213 0.000 0.870 25 R HN 0.351 nan 8.270 nan 0.000 0.451 26 R N -0.741 119.649 120.500 -0.183 0.000 2.080 26 R HA 0.001 4.341 4.340 -0.000 0.000 0.222 26 R C 2.095 178.330 176.300 -0.109 0.000 1.107 26 R CA 1.143 57.159 56.100 -0.140 0.000 0.980 26 R CB -0.388 29.817 30.300 -0.159 0.000 0.879 26 R HN 0.200 nan 8.270 nan 0.000 0.439 27 L N 1.155 122.309 121.223 -0.116 0.000 2.141 27 L HA 0.015 4.355 4.340 -0.000 0.000 0.209 27 L C 0.532 177.376 176.870 -0.044 0.000 1.094 27 L CA 1.355 56.160 54.840 -0.058 0.000 0.763 27 L CB -0.011 42.042 42.059 -0.011 0.000 0.908 27 L HN -0.029 nan 8.230 nan 0.000 0.437 28 L N 0.452 121.635 121.223 -0.066 0.000 2.421 28 L HA 0.337 4.677 4.340 -0.000 0.000 0.263 28 L C -1.937 174.908 176.870 -0.041 0.000 1.122 28 L CA -2.143 52.669 54.840 -0.045 0.000 0.804 28 L CB -0.010 42.013 42.059 -0.061 0.000 1.150 28 L HN -0.061 nan 8.230 nan 0.000 0.457 29 P HA 0.061 nan 4.420 nan 0.000 0.271 29 P C -0.433 176.846 177.300 -0.035 0.000 1.220 29 P CA -0.357 62.731 63.100 -0.019 0.000 0.768 29 P CB 0.390 32.091 31.700 0.001 0.000 0.848 30 D N 1.176 121.550 120.400 -0.043 0.000 2.322 30 D HA -0.247 4.393 4.640 -0.000 0.000 0.210 30 D C 0.847 177.103 176.300 -0.074 0.000 0.983 30 D CA 1.318 55.281 54.000 -0.061 0.000 0.902 30 D CB -0.629 40.142 40.800 -0.049 0.000 0.905 30 D HN 0.491 nan 8.370 nan 0.000 0.483 31 D N -0.161 120.213 120.400 -0.044 0.000 2.348 31 D HA -0.064 4.576 4.640 -0.000 0.000 0.211 31 D C 0.076 176.358 176.300 -0.030 0.000 0.998 31 D CA 0.217 54.197 54.000 -0.033 0.000 0.873 31 D CB -0.261 40.547 40.800 0.014 0.000 0.925 31 D HN 0.012 nan 8.370 nan 0.000 0.524 32 T N 1.506 116.044 114.554 -0.026 0.000 2.780 32 T HA 0.113 4.463 4.350 -0.000 0.000 0.294 32 T C 0.083 174.762 174.700 -0.036 0.000 0.949 32 T CA -0.343 61.773 62.100 0.026 0.000 1.074 32 T CB 1.115 70.010 68.868 0.045 0.000 0.910 32 T HN 0.111 nan 8.240 nan 0.000 0.501 33 H N 2.308 121.383 119.070 0.009 0.000 2.615 33 H HA 0.356 4.912 4.556 -0.000 0.000 0.363 33 H C 0.015 175.324 175.328 -0.032 0.000 1.148 33 H CA -0.090 55.946 56.048 -0.019 0.000 1.401 33 H CB 1.073 30.820 29.762 -0.025 0.000 1.461 33 H HN 0.424 nan 8.280 nan 0.000 0.588 34 I N 3.260 123.867 120.570 0.062 0.000 2.389 34 I HA 0.164 4.334 4.170 -0.000 0.000 0.288 34 I C 0.009 176.138 176.117 0.021 0.000 0.999 34 I CA -0.333 60.968 61.300 0.000 0.000 1.129 34 I CB 1.550 39.494 38.000 -0.093 0.000 1.288 34 I HN 0.314 nan 8.210 nan 0.000 0.444 35 M N 6.868 126.483 119.600 0.025 0.000 2.072 35 M HA 0.606 5.086 4.480 -0.000 0.000 0.331 35 M C -0.610 175.709 176.300 0.032 0.000 1.004 35 M CA -0.461 54.834 55.300 -0.009 0.000 0.952 35 M CB 1.257 33.809 32.600 -0.081 0.000 1.511 35 M HN 0.660 nan 8.290 nan 0.000 0.422 36 A N 5.095 127.922 122.820 0.012 0.000 2.404 36 A HA 0.478 4.798 4.320 -0.000 0.000 0.273 36 A C -0.384 177.191 177.584 -0.015 0.000 1.144 36 A CA -0.514 51.529 52.037 0.009 0.000 0.806 36 A CB 0.032 19.017 19.000 -0.025 0.000 1.080 36 A HN 0.709 nan 8.150 nan 0.000 0.509 37 V N 4.701 124.604 119.914 -0.018 0.000 2.372 37 V HA 0.193 4.313 4.120 -0.000 0.000 0.261 37 V C 0.824 176.916 176.094 -0.004 0.000 1.055 37 V CA 0.331 62.636 62.300 0.008 0.000 0.930 37 V CB 0.698 32.560 31.823 0.064 0.000 1.031 37 V HN 0.930 nan 8.190 nan 0.000 0.479 38 V N 2.620 122.558 119.914 0.040 0.000 2.940 38 V HA 0.323 4.443 4.120 -0.000 0.000 0.366 38 V C 0.693 176.856 176.094 0.114 0.000 1.353 38 V CA -0.719 61.633 62.300 0.086 0.000 1.232 38 V CB -0.494 31.361 31.823 0.054 0.000 1.278 38 V HN 0.804 nan 8.190 nan 0.000 0.546 39 K N 0.839 121.334 120.400 0.158 0.000 2.180 39 K HA 0.644 4.964 4.320 -0.000 0.000 0.251 39 K C 0.662 177.366 176.600 0.173 0.000 1.014 39 K CA 0.261 56.614 56.287 0.109 0.000 0.913 39 K CB 0.758 33.321 32.500 0.105 0.000 1.008 39 K HN 1.236 nan 8.250 nan 0.000 0.490 40 A N 1.485 124.351 122.820 0.076 0.000 2.667 40 A HA -0.229 4.091 4.320 -0.000 0.000 0.298 40 A C 0.362 178.019 177.584 0.121 0.000 1.483 40 A CA 1.007 53.099 52.037 0.092 0.000 0.738 40 A CB -2.442 16.596 19.000 0.063 0.000 1.067 40 A HN 1.051 nan 8.150 nan 0.000 0.451 41 N N -2.208 116.554 118.700 0.104 0.000 2.727 41 N HA 0.046 4.786 4.740 -0.000 0.000 0.249 41 N C 0.445 176.072 175.510 0.195 0.000 1.048 41 N CA 2.430 55.561 53.050 0.135 0.000 0.714 41 N CB -1.599 36.973 38.487 0.143 0.000 0.959 41 N HN 2.417 nan 8.380 nan 0.000 0.544 42 A N -0.045 122.898 122.820 0.205 0.000 2.734 42 A HA -0.242 4.078 4.320 -0.000 0.000 0.296 42 A C 0.723 178.405 177.584 0.165 0.000 1.474 42 A CA 1.077 53.262 52.037 0.247 0.000 0.735 42 A CB -2.561 16.627 19.000 0.314 0.000 1.062 42 A HN 1.130 nan 8.150 nan 0.000 0.463 43 Y N -2.845 117.378 120.300 -0.128 0.000 3.225 43 Y HA -0.199 4.351 4.550 -0.000 0.000 0.211 43 Y C 1.872 177.719 175.900 -0.089 0.000 1.223 43 Y CA 1.031 58.980 58.100 -0.253 0.000 1.284 43 Y CB -1.462 36.535 38.460 -0.772 0.000 1.367 43 Y HN 2.446 nan 8.280 nan 0.000 0.566 44 G N -1.050 107.832 108.800 0.136 0.000 2.162 44 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 44 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 44 G C 0.132 175.110 174.900 0.129 0.000 0.976 44 G CA 0.740 45.871 45.100 0.051 0.000 0.655 44 G HN 0.677 nan 8.290 nan 0.000 0.533 45 H N -0.120 119.066 119.070 0.193 0.000 2.575 45 H HA 0.470 5.026 4.556 -0.000 0.000 0.267 45 H C 1.506 177.107 175.328 0.454 0.000 0.966 45 H CA 1.160 57.431 56.048 0.372 0.000 1.165 45 H CB 0.908 30.919 29.762 0.416 0.000 1.433 45 H HN 1.436 nan 8.280 nan 0.000 0.544 46 G N 1.708 110.789 108.800 0.469 0.000 3.199 46 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.680 46 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.680 46 G C 0.351 175.401 174.900 0.251 0.000 1.197 46 G CA -0.030 45.323 45.100 0.421 0.000 1.143 46 G HN 0.320 nan 8.290 nan 0.000 0.492 47 D N 1.425 121.926 120.400 0.169 0.000 2.108 47 D HA -0.199 4.441 4.640 -0.000 0.000 0.190 47 D C 2.299 178.627 176.300 0.045 0.000 0.995 47 D CA 2.026 56.087 54.000 0.102 0.000 0.834 47 D CB -0.533 40.306 40.800 0.065 0.000 0.967 47 D HN 0.964 nan 8.370 nan 0.000 0.446 48 V N 0.213 120.130 119.914 0.004 0.000 2.427 48 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 48 V C 2.424 178.469 176.094 -0.082 0.000 1.051 48 V CA 2.159 64.436 62.300 -0.039 0.000 1.048 48 V CB -0.479 31.313 31.823 -0.051 0.000 0.666 48 V HN 0.090 nan 8.190 nan 0.000 0.456 49 Q N -0.433 119.268 119.800 -0.165 0.000 2.084 49 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 49 Q C 2.108 178.066 176.000 -0.070 0.000 0.978 49 Q CA 2.216 57.861 55.803 -0.264 0.000 0.844 49 Q CB -0.521 27.752 28.738 -0.776 0.000 0.898 49 Q HN 0.575 nan 8.270 nan 0.000 0.426 50 V N 0.403 120.338 119.914 0.034 0.000 2.379 50 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 50 V C 2.122 178.223 176.094 0.012 0.000 1.044 50 V CA 1.471 63.812 62.300 0.068 0.000 1.036 50 V CB -1.079 30.830 31.823 0.143 0.000 0.664 50 V HN 0.412 nan 8.190 nan 0.000 0.453 51 A N 0.296 123.120 122.820 0.007 0.000 1.873 51 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 51 A C 2.382 179.959 177.584 -0.012 0.000 1.193 51 A CA 2.108 54.140 52.037 -0.010 0.000 0.629 51 A CB -0.557 18.436 19.000 -0.011 0.000 0.826 51 A HN 0.489 nan 8.150 nan 0.000 0.447 52 R N -1.154 119.338 120.500 -0.014 0.000 2.081 52 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 52 R C 2.283 178.596 176.300 0.021 0.000 1.131 52 R CA 1.860 57.957 56.100 -0.006 0.000 0.960 52 R CB -0.919 29.368 30.300 -0.022 0.000 0.856 52 R HN 0.575 nan 8.270 nan 0.000 0.436 53 T N 0.940 115.513 114.554 0.031 0.000 2.821 53 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 53 T C 1.937 176.680 174.700 0.072 0.000 1.046 53 T CA 1.315 63.468 62.100 0.090 0.000 1.139 53 T CB -0.154 68.774 68.868 0.100 0.000 0.871 53 T HN 0.368 nan 8.240 nan 0.000 0.454 54 A N 1.224 124.047 122.820 0.005 0.000 1.898 54 A HA 0.075 4.395 4.320 -0.000 0.000 0.216 54 A C 2.292 179.850 177.584 -0.043 0.000 1.181 54 A CA 1.031 53.043 52.037 -0.042 0.000 0.620 54 A CB -0.794 18.175 19.000 -0.052 0.000 0.819 54 A HN 0.453 nan 8.150 nan 0.000 0.442 55 L N -0.908 120.306 121.223 -0.016 0.000 2.046 55 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 55 L C 2.631 179.502 176.870 0.001 0.000 1.077 55 L CA 1.688 56.520 54.840 -0.013 0.000 0.747 55 L CB -0.466 41.591 42.059 -0.004 0.000 0.896 55 L HN 0.512 nan 8.230 nan 0.000 0.432 56 E N 0.003 120.229 120.200 0.044 0.000 2.153 56 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 56 E C 2.011 178.676 176.600 0.110 0.000 0.988 56 E CA 1.093 57.562 56.400 0.116 0.000 0.811 56 E CB 0.034 29.855 29.700 0.201 0.000 0.746 56 E HN 0.487 nan 8.360 nan 0.000 0.466 57 A N -0.773 121.996 122.820 -0.085 0.000 2.218 57 A HA 0.236 4.556 4.320 -0.000 0.000 0.209 57 A C 1.532 178.935 177.584 -0.302 0.000 1.168 57 A CA 0.997 52.743 52.037 -0.484 0.000 0.804 57 A CB 0.298 18.768 19.000 -0.883 0.000 0.834 57 A HN 0.397 nan 8.150 nan 0.000 0.482 58 G N -2.542 106.161 108.800 -0.161 0.000 2.370 58 G HA2 0.256 4.216 3.960 -0.000 0.000 0.174 58 G HA3 0.256 4.216 3.960 -0.000 0.000 0.174 58 G C 0.323 175.158 174.900 -0.109 0.000 1.002 58 G CA -0.023 44.995 45.100 -0.137 0.000 0.730 58 G HN 1.266 nan 8.290 nan 0.000 0.497 59 A N 0.835 123.600 122.820 -0.092 0.000 2.388 59 A HA 0.712 5.032 4.320 -0.000 0.000 0.257 59 A C 1.433 179.002 177.584 -0.025 0.000 1.095 59 A CA 1.095 53.099 52.037 -0.055 0.000 0.791 59 A CB 0.692 19.666 19.000 -0.044 0.000 1.029 59 A HN 1.445 nan 8.150 nan 0.000 0.489 60 S N 1.597 117.304 115.700 0.011 0.000 2.520 60 S HA 0.313 4.783 4.470 -0.000 0.000 0.219 60 S C 0.694 175.308 174.600 0.023 0.000 1.028 60 S CA -0.185 58.041 58.200 0.043 0.000 0.921 60 S CB 0.203 63.488 63.200 0.142 0.000 0.844 60 S HN 0.725 nan 8.310 nan 0.000 0.495 61 R N -0.306 120.192 120.500 -0.002 0.000 2.855 61 R HA 0.779 5.119 4.340 -0.000 0.000 0.266 61 R C -1.631 174.635 176.300 -0.056 0.000 1.034 61 R CA -0.706 55.364 56.100 -0.049 0.000 0.944 61 R CB 1.523 31.765 30.300 -0.095 0.000 1.219 61 R HN 0.130 nan 8.270 nan 0.000 0.474 62 L N 0.325 121.504 121.223 -0.074 0.000 2.333 62 L HA 0.906 5.246 4.340 -0.000 0.000 0.263 62 L C -0.836 175.981 176.870 -0.088 0.000 1.014 62 L CA -1.104 53.697 54.840 -0.065 0.000 0.820 62 L CB 2.247 44.275 42.059 -0.051 0.000 1.352 62 L HN 0.695 nan 8.230 nan 0.000 0.421 63 A N 1.270 124.051 122.820 -0.066 0.000 2.422 63 A HA 0.859 5.178 4.320 -0.000 0.000 0.302 63 A C -0.834 176.728 177.584 -0.037 0.000 1.041 63 A CA -0.560 51.434 52.037 -0.071 0.000 0.708 63 A CB 1.833 20.792 19.000 -0.068 0.000 1.257 63 A HN 0.549 nan 8.150 nan 0.000 0.414 64 V N -1.160 118.722 119.914 -0.052 0.000 3.155 64 V HA 0.915 5.035 4.120 -0.000 0.000 0.313 64 V C 0.941 177.004 176.094 -0.051 0.000 1.162 64 V CA -0.032 62.228 62.300 -0.066 0.000 1.048 64 V CB 1.141 32.884 31.823 -0.134 0.000 1.092 64 V HN 1.503 nan 8.190 nan 0.000 0.447 65 A N 0.732 123.496 122.820 -0.093 0.000 1.878 65 A HA 0.539 4.859 4.320 -0.000 0.000 0.213 65 A C 0.700 178.377 177.584 0.156 0.000 1.192 65 A CA 1.655 53.717 52.037 0.042 0.000 0.619 65 A CB -0.445 18.640 19.000 0.142 0.000 0.837 65 A HN 1.489 nan 8.150 nan 0.000 0.446 66 F N -5.683 114.290 119.950 0.039 0.000 2.685 66 F HA 0.612 5.139 4.527 -0.000 0.000 0.315 66 F C 0.289 176.111 175.800 0.037 0.000 1.126 66 F CA -1.292 56.734 58.000 0.042 0.000 0.950 66 F CB 0.433 39.460 39.000 0.046 0.000 1.360 66 F HN -0.083 nan 8.300 nan 0.000 0.469 67 L N 1.640 123.009 121.223 0.243 0.000 2.034 67 L HA -0.227 4.113 4.340 -0.000 0.000 0.217 67 L C 1.502 178.419 176.870 0.078 0.000 1.077 67 L CA 2.388 57.306 54.840 0.130 0.000 0.769 67 L CB -1.106 41.045 42.059 0.152 0.000 0.890 67 L HN 0.834 nan 8.230 nan 0.000 0.435 68 D N -0.943 119.579 120.400 0.203 0.000 2.158 68 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 68 D C 2.042 178.306 176.300 -0.061 0.000 0.995 68 D CA 1.590 55.666 54.000 0.127 0.000 0.846 68 D CB -0.123 40.880 40.800 0.338 0.000 0.941 68 D HN 0.541 nan 8.370 nan 0.000 0.456 69 E N -0.004 120.008 120.200 -0.314 0.000 2.150 69 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 69 E C 2.053 178.559 176.600 -0.157 0.000 0.985 69 E CA 0.801 57.015 56.400 -0.310 0.000 0.814 69 E CB -0.016 29.361 29.700 -0.539 0.000 0.752 69 E HN 0.306 nan 8.360 nan 0.000 0.466 70 A N 0.993 123.740 122.820 -0.123 0.000 1.898 70 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 70 A C 2.145 179.699 177.584 -0.050 0.000 1.183 70 A CA 0.593 52.584 52.037 -0.075 0.000 0.622 70 A CB -0.450 18.513 19.000 -0.062 0.000 0.824 70 A HN 0.098 nan 8.150 nan 0.000 0.444 71 L N -0.493 120.710 121.223 -0.034 0.000 2.083 71 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 71 L C 3.059 179.919 176.870 -0.017 0.000 1.083 71 L CA 1.054 55.882 54.840 -0.019 0.000 0.752 71 L CB -0.598 41.462 42.059 0.000 0.000 0.899 71 L HN 0.433 nan 8.230 nan 0.000 0.433 72 A N 0.165 122.974 122.820 -0.018 0.000 1.902 72 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 72 A C 2.283 179.858 177.584 -0.014 0.000 1.181 72 A CA 1.423 53.454 52.037 -0.010 0.000 0.623 72 A CB -0.659 18.336 19.000 -0.009 0.000 0.818 72 A HN 0.353 nan 8.150 nan 0.000 0.443 73 L N -1.177 120.031 121.223 -0.026 0.000 2.046 73 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 73 L C 2.896 179.751 176.870 -0.024 0.000 1.077 73 L CA 0.948 55.773 54.840 -0.025 0.000 0.747 73 L CB -0.412 41.626 42.059 -0.034 0.000 0.896 73 L HN 0.292 nan 8.230 nan 0.000 0.432 74 R N 0.296 120.780 120.500 -0.027 0.000 2.081 74 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 74 R C 2.053 178.343 176.300 -0.018 0.000 1.131 74 R CA 1.353 57.438 56.100 -0.026 0.000 0.960 74 R CB -0.517 29.764 30.300 -0.031 0.000 0.856 74 R HN 0.479 nan 8.270 nan 0.000 0.436 75 E N 0.423 120.615 120.200 -0.013 0.000 2.153 75 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 75 E C 1.610 178.206 176.600 -0.005 0.000 0.988 75 E CA 1.074 57.470 56.400 -0.006 0.000 0.811 75 E CB 0.030 29.730 29.700 0.000 0.000 0.746 75 E HN 0.228 nan 8.360 nan 0.000 0.466 76 K N -0.879 119.517 120.400 -0.008 0.000 2.525 76 K HA 0.029 4.349 4.320 -0.000 0.000 0.192 76 K C 0.805 177.397 176.600 -0.014 0.000 1.029 76 K CA 0.497 56.778 56.287 -0.010 0.000 1.029 76 K CB 0.562 33.055 32.500 -0.012 0.000 0.814 76 K HN 0.251 nan 8.250 nan 0.000 0.503 77 G N 0.903 109.695 108.800 -0.013 0.000 2.148 77 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.203 77 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.203 77 G C -0.039 174.851 174.900 -0.016 0.000 0.993 77 G CA -0.608 44.484 45.100 -0.014 0.000 0.661 77 G HN 0.089 nan 8.290 nan 0.000 0.518 78 I N 1.402 121.960 120.570 -0.020 0.000 2.441 78 I HA 0.270 4.440 4.170 -0.000 0.000 0.287 78 I C 1.024 177.127 176.117 -0.023 0.000 1.049 78 I CA 0.079 61.366 61.300 -0.022 0.000 1.381 78 I CB 1.081 39.065 38.000 -0.025 0.000 1.409 78 I HN 0.252 nan 8.210 nan 0.000 0.523 79 E N 3.962 124.150 120.200 -0.020 0.000 2.562 79 E HA 0.229 4.579 4.350 -0.000 0.000 0.214 79 E C 0.478 177.063 176.600 -0.025 0.000 0.979 79 E CA -0.186 56.202 56.400 -0.021 0.000 1.002 79 E CB 0.873 30.566 29.700 -0.012 0.000 1.048 79 E HN 0.662 nan 8.360 nan 0.000 0.488 80 A N 3.127 125.931 122.820 -0.027 0.000 2.346 80 A HA 0.351 4.671 4.320 -0.000 0.000 0.252 80 A C -2.307 175.248 177.584 -0.048 0.000 1.089 80 A CA -0.987 51.031 52.037 -0.032 0.000 0.797 80 A CB -0.307 18.676 19.000 -0.028 0.000 1.047 80 A HN -0.145 nan 8.150 nan 0.000 0.494 81 P HA 0.383 nan 4.420 nan 0.000 0.271 81 P C -0.932 176.313 177.300 -0.091 0.000 1.216 81 P CA 0.387 63.436 63.100 -0.085 0.000 0.776 81 P CB 0.408 32.046 31.700 -0.104 0.000 0.881 82 I N 2.705 123.216 120.570 -0.098 0.000 2.498 82 I HA 0.381 4.551 4.170 -0.000 0.000 0.290 82 I C -0.567 175.474 176.117 -0.127 0.000 1.032 82 I CA -1.107 60.132 61.300 -0.102 0.000 1.073 82 I CB 1.992 39.944 38.000 -0.080 0.000 1.251 82 I HN 0.151 nan 8.210 nan 0.000 0.426 83 L N 7.486 128.613 121.223 -0.160 0.000 2.322 83 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 83 L C -0.828 175.967 176.870 -0.125 0.000 1.014 83 L CA -0.399 54.320 54.840 -0.202 0.000 0.815 83 L CB 1.788 43.619 42.059 -0.380 0.000 1.247 83 L HN 0.326 nan 8.230 nan 0.000 0.421 84 V N 7.107 126.978 119.914 -0.072 0.000 2.408 84 V HA 0.145 4.265 4.120 -0.000 0.000 0.267 84 V C 1.224 177.333 176.094 0.024 0.000 1.047 84 V CA -0.104 62.190 62.300 -0.011 0.000 0.937 84 V CB 1.072 32.914 31.823 0.031 0.000 0.999 84 V HN 0.848 nan 8.190 nan 0.000 0.472 85 L N 4.226 125.472 121.223 0.039 0.000 2.341 85 L HA 0.209 4.549 4.340 -0.000 0.000 0.214 85 L C 1.617 178.564 176.870 0.129 0.000 1.115 85 L CA 0.951 55.848 54.840 0.095 0.000 0.820 85 L CB -0.315 41.779 42.059 0.058 0.000 0.944 85 L HN 0.771 nan 8.230 nan 0.000 0.452 86 G N -0.600 108.276 108.800 0.127 0.000 2.606 86 G HA2 0.602 4.562 3.960 -0.000 0.000 0.262 86 G HA3 0.602 4.562 3.960 -0.000 0.000 0.262 86 G C -0.512 174.501 174.900 0.187 0.000 1.394 86 G CA -0.015 45.171 45.100 0.144 0.000 1.044 86 G HN 0.168 nan 8.290 nan 0.000 0.553 87 A N -0.793 122.152 122.820 0.208 0.000 2.332 87 A HA 0.661 4.981 4.320 -0.000 0.000 0.258 87 A C 0.542 178.244 177.584 0.197 0.000 1.087 87 A CA 0.500 52.678 52.037 0.236 0.000 0.802 87 A CB 0.350 19.515 19.000 0.275 0.000 1.042 87 A HN 1.825 nan 8.150 nan 0.000 0.489 88 S N 0.661 116.494 115.700 0.222 0.000 2.607 88 S HA 0.682 5.152 4.470 -0.000 0.000 0.273 88 S C -0.765 174.109 174.600 0.457 0.000 1.148 88 S CA -1.034 57.339 58.200 0.289 0.000 0.833 88 S CB 1.148 64.511 63.200 0.273 0.000 1.130 88 S HN 0.731 nan 8.310 nan 0.000 0.470 89 R N 0.896 121.580 120.500 0.307 0.000 2.357 89 R HA 0.356 4.696 4.340 -0.000 0.000 0.296 89 R C -1.971 174.366 176.300 0.062 0.000 1.052 89 R CA -2.025 54.186 56.100 0.185 0.000 0.988 89 R CB 0.290 30.638 30.300 0.079 0.000 1.025 89 R HN 0.451 nan 8.270 nan 0.000 0.469 90 P HA -0.178 nan 4.420 nan 0.000 0.219 90 P C 0.741 177.853 177.300 -0.313 0.000 1.146 90 P CA 1.158 63.765 63.100 -0.823 0.000 0.808 90 P CB 0.210 31.279 31.700 -1.051 0.000 0.779 91 A N -0.628 122.098 122.820 -0.157 0.000 2.172 91 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 91 A C 1.516 179.096 177.584 -0.007 0.000 1.154 91 A CA 1.404 53.406 52.037 -0.058 0.000 0.701 91 A CB -0.864 18.116 19.000 -0.033 0.000 0.789 91 A HN 0.067 nan 8.150 nan 0.000 0.465 92 D N -0.745 119.664 120.400 0.014 0.000 2.369 92 D HA 0.324 4.964 4.640 -0.000 0.000 0.211 92 D C 1.848 178.165 176.300 0.030 0.000 1.077 92 D CA 0.739 54.765 54.000 0.043 0.000 0.842 92 D CB 0.223 41.072 40.800 0.081 0.000 0.947 92 D HN 0.368 nan 8.370 nan 0.000 0.509 93 A N 1.176 124.001 122.820 0.008 0.000 1.883 93 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 93 A C 2.303 179.727 177.584 -0.266 0.000 1.186 93 A CA 2.026 54.029 52.037 -0.056 0.000 0.624 93 A CB -0.518 18.455 19.000 -0.045 0.000 0.822 93 A HN 0.244 nan 8.150 nan 0.000 0.444 94 A N -0.655 122.031 122.820 -0.223 0.000 1.902 94 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 94 A C 2.153 179.691 177.584 -0.076 0.000 1.181 94 A CA 1.753 53.699 52.037 -0.152 0.000 0.623 94 A CB -0.622 18.513 19.000 0.226 0.000 0.818 94 A HN 0.717 nan 8.150 nan 0.000 0.443 95 L N -0.224 120.972 121.223 -0.044 0.000 2.017 95 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 95 L C 2.680 179.497 176.870 -0.089 0.000 1.073 95 L CA 2.286 57.098 54.840 -0.047 0.000 0.745 95 L CB -0.765 41.288 42.059 -0.009 0.000 0.894 95 L HN 0.334 nan 8.230 nan 0.000 0.432 96 A N -0.527 122.245 122.820 -0.081 0.000 1.902 96 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 96 A C 2.436 179.938 177.584 -0.137 0.000 1.181 96 A CA 1.850 53.835 52.037 -0.087 0.000 0.623 96 A CB -1.183 17.783 19.000 -0.056 0.000 0.818 96 A HN 0.590 nan 8.150 nan 0.000 0.443 97 A N -1.360 121.347 122.820 -0.189 0.000 1.930 97 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 97 A C 2.160 179.585 177.584 -0.266 0.000 1.175 97 A CA 1.528 53.468 52.037 -0.161 0.000 0.627 97 A CB -0.489 18.402 19.000 -0.181 0.000 0.815 97 A HN 0.562 nan 8.150 nan 0.000 0.443 98 Q N -0.880 118.678 119.800 -0.402 0.000 2.170 98 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 98 Q C 1.288 177.007 176.000 -0.468 0.000 0.976 98 Q CA 1.175 56.524 55.803 -0.757 0.000 0.858 98 Q CB -0.032 28.436 28.738 -0.451 0.000 0.907 98 Q HN 0.642 nan 8.270 nan 0.000 0.433 99 Q N -0.124 119.525 119.800 -0.250 0.000 2.280 99 Q HA 0.102 4.442 4.340 -0.000 0.000 0.201 99 Q C -0.415 175.516 176.000 -0.114 0.000 0.890 99 Q CA -0.042 55.668 55.803 -0.155 0.000 0.947 99 Q CB 0.497 29.174 28.738 -0.102 0.000 1.081 99 Q HN 0.299 nan 8.270 nan 0.000 0.502 100 R N 0.396 120.828 120.500 -0.113 0.000 3.261 100 R HA -0.155 4.185 4.340 -0.000 0.000 0.257 100 R C -0.736 175.526 176.300 -0.063 0.000 1.014 100 R CA 0.353 56.418 56.100 -0.058 0.000 0.681 100 R CB -2.371 27.901 30.300 -0.047 0.000 1.155 100 R HN 0.205 nan 8.270 nan 0.000 0.424 101 I N 0.641 121.172 120.570 -0.066 0.000 2.382 101 I HA 0.422 4.591 4.170 -0.000 0.000 0.286 101 I C 0.787 176.866 176.117 -0.064 0.000 1.002 101 I CA -0.673 60.588 61.300 -0.066 0.000 1.135 101 I CB 1.821 39.785 38.000 -0.060 0.000 1.288 101 I HN 0.250 nan 8.210 nan 0.000 0.448 102 A N 7.717 130.500 122.820 -0.060 0.000 2.425 102 A HA 0.707 5.027 4.320 -0.000 0.000 0.249 102 A C -0.441 177.122 177.584 -0.035 0.000 1.084 102 A CA -0.082 51.937 52.037 -0.030 0.000 0.781 102 A CB 0.362 19.365 19.000 0.006 0.000 1.019 102 A HN 0.705 nan 8.150 nan 0.000 0.490 103 L N 1.216 122.438 121.223 -0.002 0.000 2.342 103 L HA 0.454 4.794 4.340 -0.000 0.000 0.271 103 L C 0.254 177.217 176.870 0.156 0.000 1.008 103 L CA -0.623 54.253 54.840 0.060 0.000 0.818 103 L CB 2.190 44.293 42.059 0.072 0.000 1.296 103 L HN 0.653 nan 8.230 nan 0.000 0.427 104 T N 1.703 116.312 114.554 0.092 0.000 2.856 104 T HA 0.432 4.782 4.350 -0.000 0.000 0.292 104 T C -0.602 174.036 174.700 -0.103 0.000 0.980 104 T CA -0.211 61.980 62.100 0.153 0.000 1.091 104 T CB 1.755 70.769 68.868 0.242 0.000 0.936 104 T HN 0.308 nan 8.240 nan 0.000 0.503 105 V N 5.138 124.969 119.914 -0.139 0.000 2.789 105 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 105 V C -1.172 174.764 176.094 -0.264 0.000 1.073 105 V CA -0.813 61.160 62.300 -0.544 0.000 0.921 105 V CB 1.557 32.948 31.823 -0.721 0.000 1.009 105 V HN 0.938 nan 8.190 nan 0.000 0.426 106 F N 3.271 123.061 119.950 -0.267 0.000 3.083 106 F HA 0.606 5.133 4.527 -0.000 0.000 0.355 106 F C 0.134 175.875 175.800 -0.098 0.000 1.194 106 F CA -0.710 57.196 58.000 -0.157 0.000 1.027 106 F CB 0.120 39.034 39.000 -0.143 0.000 1.386 106 F HN 0.289 nan 8.300 nan 0.000 0.513 107 R N 0.837 121.108 120.500 -0.383 0.000 2.574 107 R HA 0.393 4.733 4.340 -0.000 0.000 0.288 107 R C 0.882 177.131 176.300 -0.085 0.000 1.004 107 R CA 0.072 56.084 56.100 -0.147 0.000 0.895 107 R CB 2.034 32.249 30.300 -0.141 0.000 1.191 107 R HN 0.184 nan 8.270 nan 0.000 0.444 108 S N 0.969 116.656 115.700 -0.020 0.000 2.402 108 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 108 S C 1.300 175.922 174.600 0.037 0.000 1.021 108 S CA 1.664 59.865 58.200 0.001 0.000 0.974 108 S CB -0.089 63.115 63.200 0.006 0.000 0.800 108 S HN 0.749 nan 8.310 nan 0.000 0.484 109 D N -0.255 120.170 120.400 0.042 0.000 2.312 109 D HA -0.126 4.514 4.640 -0.000 0.000 0.211 109 D C 1.497 177.835 176.300 0.063 0.000 0.964 109 D CA 0.425 54.452 54.000 0.044 0.000 0.877 109 D CB -0.994 39.827 40.800 0.034 0.000 0.924 109 D HN 0.704 nan 8.370 nan 0.000 0.515 110 W N 0.978 122.199 121.300 -0.131 0.000 2.409 110 W HA 0.082 4.742 4.660 -0.000 0.000 0.299 110 W C 1.932 178.374 176.519 -0.129 0.000 1.203 110 W CA 0.864 58.115 57.345 -0.157 0.000 1.298 110 W CB -0.120 29.169 29.460 -0.284 0.000 1.127 110 W HN -0.098 nan 8.180 nan 0.000 0.528 111 L N 0.454 121.849 121.223 0.288 0.000 2.046 111 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 111 L C 2.368 179.322 176.870 0.139 0.000 1.077 111 L CA 1.697 56.660 54.840 0.206 0.000 0.747 111 L CB -0.845 41.273 42.059 0.099 0.000 0.896 111 L HN 0.012 nan 8.230 nan 0.000 0.432 112 E N -0.095 120.153 120.200 0.081 0.000 2.085 112 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 112 E C 2.089 178.700 176.600 0.018 0.000 0.994 112 E CA 1.491 57.927 56.400 0.059 0.000 0.801 112 E CB 0.061 29.780 29.700 0.032 0.000 0.743 112 E HN 0.431 nan 8.360 nan 0.000 0.453 113 E N -0.180 119.979 120.200 -0.068 0.000 2.047 113 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 113 E C 1.988 178.502 176.600 -0.144 0.000 0.987 113 E CA 0.925 57.241 56.400 -0.141 0.000 0.799 113 E CB -0.071 29.468 29.700 -0.268 0.000 0.752 113 E HN 0.261 nan 8.360 nan 0.000 0.449 114 A N 0.424 123.096 122.820 -0.247 0.000 1.940 114 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 114 A C 2.302 180.032 177.584 0.243 0.000 1.176 114 A CA 1.847 53.818 52.037 -0.110 0.000 0.631 114 A CB -0.589 18.276 19.000 -0.225 0.000 0.814 114 A HN 0.173 nan 8.150 nan 0.000 0.446 115 S N -0.137 115.736 115.700 0.288 0.000 2.353 115 S HA -0.102 4.368 4.470 -0.000 0.000 0.222 115 S C 2.261 176.961 174.600 0.167 0.000 1.035 115 S CA 1.319 59.662 58.200 0.238 0.000 1.025 115 S CB -0.515 62.816 63.200 0.219 0.000 0.902 115 S HN 0.838 nan 8.310 nan 0.000 0.440 116 A N 0.436 123.316 122.820 0.101 0.000 2.125 116 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 116 A C 1.894 179.517 177.584 0.065 0.000 1.156 116 A CA 0.977 53.051 52.037 0.061 0.000 0.671 116 A CB -0.439 18.577 19.000 0.027 0.000 0.794 116 A HN 0.484 nan 8.150 nan 0.000 0.459 117 L N -3.465 117.814 121.223 0.094 0.000 2.470 117 L HA 0.244 4.584 4.340 -0.000 0.000 0.219 117 L C 0.595 177.584 176.870 0.199 0.000 1.071 117 L CA 0.092 54.996 54.840 0.106 0.000 0.850 117 L CB 0.122 42.219 42.059 0.063 0.000 1.040 117 L HN 0.435 nan 8.230 nan 0.000 0.475 118 Y N -0.035 120.328 120.300 0.105 0.000 2.341 118 Y HA 0.228 4.778 4.550 -0.000 0.000 0.338 118 Y C 0.966 176.983 175.900 0.194 0.000 0.965 118 Y CA -0.481 57.701 58.100 0.137 0.000 1.108 118 Y CB 1.535 40.113 38.460 0.197 0.000 1.180 118 Y HN -0.018 nan 8.280 nan 0.000 0.458 119 S N 2.167 117.613 115.700 -0.423 0.000 2.549 119 S HA 0.697 5.167 4.470 -0.000 0.000 0.225 119 S C 0.597 174.855 174.600 -0.570 0.000 1.039 119 S CA 0.131 58.157 58.200 -0.289 0.000 0.942 119 S CB 0.870 63.957 63.200 -0.188 0.000 0.881 119 S HN 1.218 nan 8.310 nan 0.000 0.503 120 G N 2.099 110.128 108.800 -1.286 0.000 2.302 120 G HA2 0.225 4.185 3.960 -0.000 0.000 0.276 120 G HA3 0.225 4.185 3.960 -0.000 0.000 0.276 120 G C -2.759 171.715 174.900 -0.710 0.000 1.316 120 G CA -0.144 44.144 45.100 -1.354 0.000 0.988 120 G HN 0.026 nan 8.290 nan 0.000 0.479 121 P HA 0.278 nan 4.420 nan 0.000 0.245 121 P C 0.303 177.362 177.300 -0.402 0.000 1.203 121 P CA 0.148 62.892 63.100 -0.594 0.000 0.792 121 P CB 0.098 31.532 31.700 -0.442 0.000 0.997 122 F N 3.437 123.399 119.950 0.020 0.000 2.484 122 F HA 0.269 4.796 4.527 -0.000 0.000 0.360 122 F C -1.601 174.387 175.800 0.314 0.000 1.101 122 F CA -2.382 55.732 58.000 0.190 0.000 1.251 122 F CB -0.453 38.667 39.000 0.200 0.000 1.132 122 F HN -0.080 nan 8.300 nan 0.000 0.570 123 P HA 0.331 nan 4.420 nan 0.000 0.282 123 P C -0.662 176.732 177.300 0.156 0.000 1.249 123 P CA -0.249 63.068 63.100 0.361 0.000 0.806 123 P CB 1.415 33.238 31.700 0.205 0.000 0.984 124 I N 2.699 123.277 120.570 0.014 0.000 2.339 124 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 124 I C 0.194 175.940 176.117 -0.619 0.000 0.994 124 I CA -0.788 60.306 61.300 -0.343 0.000 1.191 124 I CB 0.695 38.321 38.000 -0.623 0.000 1.343 124 I HN 0.334 nan 8.210 nan 0.000 0.458 125 H N 5.794 124.648 119.070 -0.361 0.000 2.604 125 H HA 0.442 4.998 4.556 -0.000 0.000 0.306 125 H C -0.936 174.221 175.328 -0.285 0.000 1.075 125 H CA 0.061 55.983 56.048 -0.210 0.000 1.357 125 H CB 0.666 30.404 29.762 -0.039 0.000 1.426 125 H HN 0.287 nan 8.280 nan 0.000 0.470 126 F N 1.607 121.612 119.950 0.093 0.000 2.458 126 F HA 0.323 4.850 4.527 -0.000 0.000 0.330 126 F C 0.494 176.369 175.800 0.125 0.000 1.082 126 F CA -0.537 57.495 58.000 0.054 0.000 0.995 126 F CB 1.263 40.206 39.000 -0.095 0.000 1.170 126 F HN 0.511 nan 8.300 nan 0.000 0.478 127 H N 3.239 122.473 119.070 0.273 0.000 2.646 127 H HA 0.312 4.868 4.556 -0.000 0.000 0.328 127 H C -0.692 174.782 175.328 0.244 0.000 0.998 127 H CA -0.846 55.367 56.048 0.276 0.000 1.225 127 H CB 2.366 32.315 29.762 0.312 0.000 1.457 127 H HN 0.448 nan 8.280 nan 0.000 0.505 131 D N 2.461 122.788 120.400 -0.122 0.000 2.339 131 D HA 0.269 4.909 4.640 -0.000 0.000 0.241 131 D C 0.746 176.994 176.300 -0.086 0.000 1.183 131 D CA 0.339 54.269 54.000 -0.116 0.000 0.859 131 D CB 1.160 41.920 40.800 -0.067 0.000 1.067 131 D HN 0.722 nan 8.370 nan 0.000 0.484 132 T N 0.341 114.811 114.554 -0.140 0.000 3.092 132 T HA 0.421 4.771 4.350 -0.000 0.000 0.258 132 T C 1.151 175.801 174.700 -0.083 0.000 1.031 132 T CA 0.109 62.113 62.100 -0.160 0.000 0.925 132 T CB 0.534 69.246 68.868 -0.260 0.000 1.036 132 T HN 0.459 nan 8.240 nan 0.000 0.544 133 G N 0.939 109.771 108.800 0.054 0.000 2.870 133 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 133 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 133 G C 0.455 175.533 174.900 0.297 0.000 0.973 133 G CA 0.176 45.431 45.100 0.259 0.000 0.807 133 G HN 0.319 nan 8.290 nan 0.000 0.573 134 M N 1.082 120.769 119.600 0.144 0.000 2.394 134 M HA 0.442 4.922 4.480 -0.000 0.000 0.266 134 M C 1.982 178.328 176.300 0.077 0.000 1.098 134 M CA 2.371 57.748 55.300 0.129 0.000 1.149 134 M CB -0.015 32.634 32.600 0.082 0.000 1.369 134 M HN 1.340 nan 8.290 nan 0.000 0.450 135 G N 0.503 109.327 108.800 0.041 0.000 2.148 135 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 135 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 135 G C 0.988 175.868 174.900 -0.034 0.000 0.981 135 G CA 0.833 45.940 45.100 0.012 0.000 0.670 135 G HN 0.518 nan 8.290 nan 0.000 0.528 136 R N -0.974 119.489 120.500 -0.062 0.000 2.005 136 R HA 0.625 4.965 4.340 -0.000 0.000 0.213 136 R C 0.932 177.102 176.300 -0.216 0.000 1.308 136 R CA 0.766 56.801 56.100 -0.107 0.000 1.022 136 R CB 0.052 30.301 30.300 -0.085 0.000 0.883 136 R HN 0.366 nan 8.270 nan 0.000 0.470 137 L N -1.084 119.954 121.223 -0.308 0.000 2.327 137 L HA 0.601 4.941 4.340 -0.000 0.000 0.258 137 L C -0.612 175.984 176.870 -0.457 0.000 1.024 137 L CA -0.639 53.846 54.840 -0.592 0.000 0.825 137 L CB 2.366 43.952 42.059 -0.788 0.000 1.386 137 L HN 0.666 nan 8.230 nan 0.000 0.417 138 G N 0.267 108.780 108.800 -0.480 0.000 2.484 138 G HA2 0.132 4.092 3.960 -0.000 0.000 0.685 138 G HA3 0.132 4.092 3.960 -0.000 0.000 0.685 138 G C -1.021 173.877 174.900 -0.004 0.000 1.294 138 G CA -0.526 44.474 45.100 -0.166 0.000 0.879 138 G HN 0.734 nan 8.290 nan 0.000 0.646 139 V N -0.992 118.961 119.914 0.066 0.000 3.051 139 V HA 0.750 4.870 4.120 -0.000 0.000 0.306 139 V C 0.942 177.107 176.094 0.119 0.000 1.083 139 V CA 0.337 62.703 62.300 0.110 0.000 1.104 139 V CB 1.602 33.503 31.823 0.131 0.000 1.027 139 V HN 0.853 nan 8.190 nan 0.000 0.483 140 K N 0.619 121.104 120.400 0.142 0.000 2.474 140 K HA 0.223 4.543 4.320 -0.000 0.000 0.202 140 K C 0.107 176.863 176.600 0.261 0.000 1.248 140 K CA 0.415 56.806 56.287 0.173 0.000 0.946 140 K CB 0.481 33.045 32.500 0.107 0.000 1.102 140 K HN 1.030 nan 8.250 nan 0.000 0.541 141 D N -0.217 120.265 120.400 0.136 0.000 2.419 141 D HA 0.107 4.747 4.640 -0.000 0.000 0.234 141 D C 0.360 176.401 176.300 -0.432 0.000 1.014 141 D CA -0.442 53.501 54.000 -0.095 0.000 0.919 141 D CB 2.265 43.003 40.800 -0.104 0.000 1.366 141 D HN -0.143 nan 8.370 nan 0.000 0.490 142 E N 0.175 119.692 120.200 -1.138 0.000 2.077 142 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 142 E C 1.634 177.936 176.600 -0.496 0.000 0.989 142 E CA 1.008 56.668 56.400 -1.235 0.000 0.800 142 E CB 0.161 28.901 29.700 -1.601 0.000 0.746 142 E HN 0.609 nan 8.360 nan 0.000 0.452 143 E N 0.670 120.660 120.200 -0.350 0.000 2.058 143 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 143 E C 1.969 178.495 176.600 -0.123 0.000 0.997 143 E CA 1.695 57.981 56.400 -0.191 0.000 0.801 143 E CB -0.093 29.524 29.700 -0.138 0.000 0.746 143 E HN 0.148 nan 8.360 nan 0.000 0.450 144 E N 0.043 120.182 120.200 -0.101 0.000 2.106 144 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 144 E C 1.966 178.552 176.600 -0.024 0.000 0.984 144 E CA 1.965 58.340 56.400 -0.041 0.000 0.806 144 E CB -0.359 29.336 29.700 -0.009 0.000 0.750 144 E HN 0.226 nan 8.360 nan 0.000 0.458 145 T N 0.985 115.523 114.554 -0.027 0.000 2.708 145 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 145 T C 1.582 176.289 174.700 0.013 0.000 1.037 145 T CA 1.456 63.579 62.100 0.039 0.000 1.146 145 T CB -0.115 68.849 68.868 0.159 0.000 0.865 145 T HN 0.068 nan 8.240 nan 0.000 0.435 146 K N 1.142 121.522 120.400 -0.034 0.000 2.097 146 K HA 0.010 4.330 4.320 -0.000 0.000 0.206 146 K C 2.313 178.906 176.600 -0.013 0.000 1.049 146 K CA 1.041 57.313 56.287 -0.025 0.000 0.933 146 K CB -0.418 32.045 32.500 -0.061 0.000 0.717 146 K HN 0.279 nan 8.250 nan 0.000 0.442 147 R N 0.759 121.246 120.500 -0.021 0.000 2.091 147 R HA -0.039 4.301 4.340 -0.000 0.000 0.238 147 R C 2.384 178.688 176.300 0.007 0.000 1.136 147 R CA 1.163 57.258 56.100 -0.007 0.000 0.959 147 R CB -0.222 30.071 30.300 -0.012 0.000 0.856 147 R HN 0.104 nan 8.270 nan 0.000 0.437 148 I N -0.189 120.380 120.570 -0.001 0.000 2.202 148 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 148 I C 2.194 178.316 176.117 0.008 0.000 1.091 148 I CA 0.990 62.283 61.300 -0.012 0.000 1.368 148 I CB -0.163 37.815 38.000 -0.038 0.000 1.058 148 I HN 0.037 nan 8.210 nan 0.000 0.410 149 V N 1.096 121.022 119.914 0.019 0.000 2.332 149 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 149 V C 2.699 178.826 176.094 0.055 0.000 1.055 149 V CA 2.129 64.452 62.300 0.038 0.000 1.038 149 V CB -1.080 30.765 31.823 0.036 0.000 0.651 149 V HN 0.520 nan 8.190 nan 0.000 0.450 150 A N -0.496 122.351 122.820 0.045 0.000 1.877 150 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 150 A C 2.220 179.853 177.584 0.081 0.000 1.186 150 A CA 1.866 53.934 52.037 0.051 0.000 0.620 150 A CB -0.561 18.457 19.000 0.032 0.000 0.822 150 A HN 0.493 nan 8.150 nan 0.000 0.443 151 L N -0.581 120.697 121.223 0.093 0.000 2.083 151 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 151 L C 2.458 179.479 176.870 0.251 0.000 1.083 151 L CA 1.184 56.113 54.840 0.148 0.000 0.752 151 L CB -0.358 41.785 42.059 0.139 0.000 0.899 151 L HN 0.403 nan 8.230 nan 0.000 0.433 152 I N -0.755 119.954 120.570 0.232 0.000 2.252 152 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 152 I C 2.462 178.748 176.117 0.282 0.000 1.102 152 I CA 0.988 62.495 61.300 0.345 0.000 1.385 152 I CB -0.109 38.018 38.000 0.213 0.000 1.064 152 I HN 0.216 nan 8.210 nan 0.000 0.414 153 E N 0.927 121.229 120.200 0.169 0.000 2.058 153 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 153 E C 2.332 178.992 176.600 0.101 0.000 0.997 153 E CA 1.291 57.761 56.400 0.116 0.000 0.801 153 E CB 0.000 29.745 29.700 0.075 0.000 0.746 153 E HN 0.191 nan 8.360 nan 0.000 0.450 154 R N -0.374 120.186 120.500 0.100 0.000 2.081 154 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 154 R C 0.851 177.171 176.300 0.034 0.000 1.131 154 R CA 0.799 56.934 56.100 0.057 0.000 0.960 154 R CB -0.423 29.911 30.300 0.056 0.000 0.856 154 R HN 0.306 nan 8.270 nan 0.000 0.436 155 H N 1.618 120.670 119.070 -0.031 0.000 2.722 155 H HA 0.057 4.613 4.556 -0.000 0.000 0.328 155 H C -1.609 173.651 175.328 -0.114 0.000 1.067 155 H CA -1.856 54.089 56.048 -0.171 0.000 1.447 155 H CB 1.711 31.143 29.762 -0.551 0.000 1.469 155 H HN -0.019 nan 8.280 nan 0.000 0.544 156 P HA -0.106 nan 4.420 nan 0.000 0.223 156 P C 0.626 177.817 177.300 -0.182 0.000 1.151 156 P CA 1.256 64.219 63.100 -0.227 0.000 0.787 156 P CB 0.457 31.895 31.700 -0.436 0.000 0.788 157 H N -2.271 117.051 119.070 0.421 0.000 2.586 157 H HA 0.220 4.776 4.556 -0.000 0.000 0.273 157 H C 0.096 175.726 175.328 0.502 0.000 0.997 157 H CA -0.208 56.083 56.048 0.405 0.000 1.177 157 H CB 0.099 30.141 29.762 0.467 0.000 1.471 157 H HN 0.084 nan 8.280 nan 0.000 0.538 158 F N 1.701 121.852 119.950 0.335 0.000 2.420 158 F HA 0.349 4.876 4.527 -0.000 0.000 0.342 158 F C 0.357 176.259 175.800 0.171 0.000 1.113 158 F CA -1.340 56.816 58.000 0.260 0.000 1.059 158 F CB 1.445 40.645 39.000 0.334 0.000 1.128 158 F HN -0.314 nan 8.300 nan 0.000 0.475 159 V N 5.015 125.078 119.914 0.248 0.000 2.638 159 V HA 0.315 4.435 4.120 -0.000 0.000 0.306 159 V C -0.745 175.438 176.094 0.148 0.000 1.052 159 V CA -0.899 61.465 62.300 0.106 0.000 0.885 159 V CB 2.417 34.164 31.823 -0.127 0.000 0.999 159 V HN 0.456 nan 8.190 nan 0.000 0.424 160 L N 3.560 124.869 121.223 0.143 0.000 2.328 160 L HA 0.392 4.732 4.340 -0.000 0.000 0.280 160 L C 1.266 178.167 176.870 0.051 0.000 1.111 160 L CA 0.641 55.551 54.840 0.118 0.000 0.909 160 L CB 0.387 42.499 42.059 0.087 0.000 1.277 160 L HN 0.867 nan 8.230 nan 0.000 0.433 161 E N 2.750 122.964 120.200 0.023 0.000 2.158 161 E HA 0.159 4.509 4.350 -0.000 0.000 0.191 161 E C 0.586 177.032 176.600 -0.257 0.000 0.982 161 E CA 0.715 57.088 56.400 -0.045 0.000 0.823 161 E CB 0.315 30.052 29.700 0.062 0.000 0.766 161 E HN 0.768 nan 8.360 nan 0.000 0.468 162 G N 0.161 108.687 108.800 -0.457 0.000 2.606 162 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 162 G HA3 0.472 4.432 3.960 -0.000 0.000 0.300 162 G C -1.775 173.081 174.900 -0.073 0.000 1.360 162 G CA -0.332 44.572 45.100 -0.328 0.000 0.783 162 G HN 0.182 nan 8.290 nan 0.000 0.484 163 L N -1.263 120.032 121.223 0.120 0.000 2.506 163 L HA 0.940 5.280 4.340 -0.000 0.000 0.257 163 L C -1.453 175.545 176.870 0.213 0.000 0.964 163 L CA -1.492 53.456 54.840 0.179 0.000 0.836 163 L CB 0.707 42.805 42.059 0.065 0.000 1.384 163 L HN 1.329 nan 8.230 nan 0.000 0.410 164 Y N -0.743 119.461 120.300 -0.160 0.000 2.764 164 Y HA 0.874 5.424 4.550 -0.000 0.000 0.331 164 Y C -0.813 174.801 175.900 -0.476 0.000 1.280 164 Y CA -0.549 57.298 58.100 -0.421 0.000 1.065 164 Y CB 1.054 38.870 38.460 -1.074 0.000 1.319 164 Y HN 0.944 nan 8.280 nan 0.000 0.453 165 T N -0.714 113.370 114.554 -0.783 0.000 2.778 165 T HA 0.536 4.886 4.350 -0.000 0.000 0.293 165 T C -2.390 171.984 174.700 -0.543 0.000 1.144 165 T CA -0.450 61.151 62.100 -0.832 0.000 1.010 165 T CB 1.334 69.500 68.868 -1.169 0.000 1.325 165 T HN 0.981 nan 8.240 nan 0.000 0.515 166 H N -0.086 118.620 119.070 -0.606 0.000 2.865 166 H HA 0.592 5.148 4.556 -0.000 0.000 0.362 166 H C -1.486 173.619 175.328 -0.371 0.000 1.114 166 H CA -0.754 55.046 56.048 -0.414 0.000 1.208 166 H CB 0.752 30.429 29.762 -0.143 0.000 1.727 166 H HN 0.468 nan 8.280 nan 0.000 0.534 167 F N 2.774 122.485 119.950 -0.398 0.000 2.394 167 F HA 0.414 4.941 4.527 -0.000 0.000 0.340 167 F C 1.274 176.966 175.800 -0.180 0.000 1.105 167 F CA -0.062 57.829 58.000 -0.181 0.000 1.124 167 F CB 1.629 40.664 39.000 0.058 0.000 1.145 167 F HN 0.740 nan 8.300 nan 0.000 0.505 168 A N 1.220 124.197 122.820 0.262 0.000 2.095 168 A HA 0.027 4.346 4.320 -0.000 0.000 0.212 168 A C 1.366 179.085 177.584 0.225 0.000 1.162 168 A CA 1.190 53.358 52.037 0.219 0.000 0.753 168 A CB -0.424 18.748 19.000 0.288 0.000 0.840 168 A HN 0.760 nan 8.150 nan 0.000 0.468 169 T N -4.863 109.883 114.554 0.321 0.000 3.516 169 T HA 0.529 4.879 4.350 -0.000 0.000 0.300 169 T C 0.954 175.784 174.700 0.216 0.000 0.995 169 T CA 0.586 62.837 62.100 0.251 0.000 0.982 169 T CB 0.202 69.244 68.868 0.290 0.000 1.199 169 T HN 0.379 nan 8.240 nan 0.000 0.481 170 A N 2.133 125.085 122.820 0.221 0.000 2.172 170 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 170 A C 1.802 179.366 177.584 -0.034 0.000 1.154 170 A CA 1.169 53.240 52.037 0.057 0.000 0.701 170 A CB -0.380 18.719 19.000 0.165 0.000 0.789 170 A HN 0.717 nan 8.150 nan 0.000 0.465 171 D N -0.765 119.656 120.400 0.036 0.000 2.368 171 D HA 0.128 4.768 4.640 -0.000 0.000 0.218 171 D C 0.076 176.380 176.300 0.006 0.000 1.112 171 D CA -0.099 53.909 54.000 0.014 0.000 0.834 171 D CB -0.207 40.632 40.800 0.064 0.000 0.953 171 D HN 0.402 nan 8.370 nan 0.000 0.505 172 E N -0.117 120.091 120.200 0.014 0.000 2.216 172 E HA 0.229 4.579 4.350 -0.000 0.000 0.279 172 E C 1.046 177.646 176.600 0.001 0.000 0.997 172 E CA -0.538 55.874 56.400 0.020 0.000 0.817 172 E CB 2.296 32.028 29.700 0.052 0.000 1.096 172 E HN -0.234 nan 8.360 nan 0.000 0.393 173 V N 3.300 123.213 119.914 -0.002 0.000 2.392 173 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 173 V C 1.114 177.217 176.094 0.016 0.000 1.059 173 V CA 1.343 63.640 62.300 -0.006 0.000 1.051 173 V CB -0.595 31.224 31.823 -0.005 0.000 0.658 173 V HN 0.706 nan 8.190 nan 0.000 0.455 174 N N 1.279 119.997 118.700 0.030 0.000 2.470 174 N HA -0.007 4.733 4.740 -0.000 0.000 0.268 174 N C 0.651 176.208 175.510 0.077 0.000 1.136 174 N CA 0.706 53.785 53.050 0.048 0.000 0.961 174 N CB 1.338 39.854 38.487 0.048 0.000 1.067 174 N HN 0.420 nan 8.380 nan 0.000 0.468 175 T N -0.018 114.588 114.554 0.087 0.000 3.243 175 T HA 0.142 4.492 4.350 -0.000 0.000 0.264 175 T C 0.441 175.247 174.700 0.177 0.000 1.000 175 T CA -0.435 61.746 62.100 0.135 0.000 0.901 175 T CB 0.175 69.092 68.868 0.082 0.000 1.083 175 T HN 0.336 nan 8.240 nan 0.000 0.559 176 D N 1.029 121.524 120.400 0.157 0.000 2.084 176 D HA -0.060 4.580 4.640 -0.000 0.000 0.196 176 D C 1.349 177.786 176.300 0.228 0.000 0.985 176 D CA 1.100 55.194 54.000 0.156 0.000 0.826 176 D CB -0.289 40.587 40.800 0.126 0.000 0.978 176 D HN 0.449 nan 8.370 nan 0.000 0.456 177 Y N 0.229 120.607 120.300 0.130 0.000 2.242 177 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 177 Y C 2.113 178.146 175.900 0.222 0.000 1.137 177 Y CA 0.816 59.019 58.100 0.171 0.000 1.181 177 Y CB -0.583 37.957 38.460 0.134 0.000 0.989 177 Y HN -0.073 nan 8.280 nan 0.000 0.527 178 F N 0.071 120.061 119.950 0.065 0.000 2.095 178 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 178 F C 2.387 178.083 175.800 -0.174 0.000 1.104 178 F CA 2.162 60.083 58.000 -0.132 0.000 1.232 178 F CB -0.698 38.201 39.000 -0.167 0.000 0.987 178 F HN -0.074 nan 8.300 nan 0.000 0.475 179 S N -0.703 114.947 115.700 -0.085 0.000 2.383 179 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 179 S C 1.731 176.270 174.600 -0.102 0.000 1.026 179 S CA 1.199 59.314 58.200 -0.142 0.000 0.981 179 S CB -0.859 62.339 63.200 -0.004 0.000 0.818 179 S HN 0.692 nan 8.310 nan 0.000 0.472 180 Y N 2.254 122.450 120.300 -0.172 0.000 2.181 180 Y HA -0.156 4.394 4.550 -0.000 0.000 0.288 180 Y C 2.289 178.056 175.900 -0.222 0.000 1.146 180 Y CA 1.614 59.607 58.100 -0.178 0.000 1.164 180 Y CB -0.558 37.783 38.460 -0.198 0.000 0.982 180 Y HN 0.222 nan 8.280 nan 0.000 0.515 181 Q N -1.213 118.268 119.800 -0.532 0.000 2.079 181 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 181 Q C 2.109 177.988 176.000 -0.202 0.000 0.974 181 Q CA 1.891 57.417 55.803 -0.462 0.000 0.840 181 Q CB -0.559 28.087 28.738 -0.154 0.000 0.898 181 Q HN 0.688 nan 8.270 nan 0.000 0.430 182 Y N 1.261 121.373 120.300 -0.313 0.000 2.181 182 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 182 Y C 2.296 178.153 175.900 -0.072 0.000 1.146 182 Y CA 1.790 59.801 58.100 -0.148 0.000 1.164 182 Y CB -0.194 37.990 38.460 -0.461 0.000 0.982 182 Y HN -0.009 nan 8.280 nan 0.000 0.515 183 T N 0.698 115.196 114.554 -0.092 0.000 2.777 183 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 183 T C 2.010 176.582 174.700 -0.212 0.000 1.040 183 T CA 1.042 63.069 62.100 -0.122 0.000 1.141 183 T CB -0.176 68.647 68.868 -0.074 0.000 0.868 183 T HN 0.179 nan 8.240 nan 0.000 0.444 184 R N 0.222 120.516 120.500 -0.343 0.000 2.105 184 R HA -0.044 4.296 4.340 -0.000 0.000 0.239 184 R C 2.155 178.319 176.300 -0.227 0.000 1.135 184 R CA 1.086 56.966 56.100 -0.367 0.000 0.967 184 R CB -0.843 29.109 30.300 -0.581 0.000 0.861 184 R HN 0.370 nan 8.270 nan 0.000 0.442 185 F N 1.385 121.103 119.950 -0.386 0.000 2.102 185 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 185 F C 2.109 177.676 175.800 -0.389 0.000 1.105 185 F CA 1.236 59.003 58.000 -0.389 0.000 1.239 185 F CB -0.593 38.188 39.000 -0.366 0.000 0.991 185 F HN -0.073 nan 8.300 nan 0.000 0.474 186 L N -0.832 120.154 121.223 -0.396 0.000 2.191 186 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 186 L C 2.685 179.337 176.870 -0.364 0.000 1.103 186 L CA 1.468 56.059 54.840 -0.415 0.000 0.769 186 L CB -0.997 40.902 42.059 -0.266 0.000 0.908 186 L HN 0.288 nan 8.230 nan 0.000 0.438 187 H N 0.463 119.287 119.070 -0.410 0.000 2.333 187 H HA -0.079 4.477 4.556 -0.000 0.000 0.302 187 H C 2.225 177.105 175.328 -0.747 0.000 1.075 187 H CA 1.538 57.331 56.048 -0.426 0.000 1.348 187 H CB 0.159 29.723 29.762 -0.330 0.000 1.393 187 H HN 0.272 nan 8.280 nan 0.000 0.509 188 M N 0.217 119.336 119.600 -0.803 0.000 2.319 188 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 188 M C 2.532 178.306 176.300 -0.876 0.000 1.068 188 M CA 0.745 55.214 55.300 -1.384 0.000 1.118 188 M CB 0.024 32.053 32.600 -0.952 0.000 1.395 188 M HN 0.166 nan 8.290 nan 0.000 0.435 189 L N -0.213 120.596 121.223 -0.690 0.000 2.265 189 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 189 L C 2.068 178.720 176.870 -0.363 0.000 1.117 189 L CA 0.720 55.232 54.840 -0.546 0.000 0.782 189 L CB -0.414 41.220 42.059 -0.709 0.000 0.914 189 L HN 0.206 nan 8.230 nan 0.000 0.441 190 E N -0.823 119.124 120.200 -0.421 0.000 2.338 190 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 190 E C 1.608 178.187 176.600 -0.036 0.000 1.007 190 E CA 0.690 56.939 56.400 -0.253 0.000 0.849 190 E CB -0.078 29.423 29.700 -0.333 0.000 0.774 190 E HN 0.401 nan 8.360 nan 0.000 0.506 191 W N 0.109 121.310 121.300 -0.166 0.000 2.678 191 W HA 0.157 4.817 4.660 -0.000 0.000 0.256 191 W C 0.143 176.609 176.519 -0.087 0.000 1.280 191 W CA -0.126 57.152 57.345 -0.112 0.000 1.345 191 W CB -0.610 28.799 29.460 -0.085 0.000 1.118 191 W HN -0.028 nan 8.180 nan 0.000 0.629 192 L N 3.201 124.485 121.223 0.101 0.000 2.349 192 L HA 0.082 4.422 4.340 -0.000 0.000 0.275 192 L C -0.312 176.570 176.870 0.020 0.000 1.115 192 L CA -1.438 53.427 54.840 0.042 0.000 0.820 192 L CB 0.853 42.902 42.059 -0.017 0.000 1.135 192 L HN -0.327 nan 8.230 nan 0.000 0.445 193 P HA -0.091 nan 4.420 nan 0.000 0.215 193 P C 0.070 177.372 177.300 0.003 0.000 1.153 193 P CA 0.879 63.987 63.100 0.013 0.000 0.853 193 P CB 0.227 31.937 31.700 0.017 0.000 0.788 194 S N -1.958 113.742 115.700 0.000 0.000 2.546 194 S HA 0.462 4.932 4.470 -0.000 0.000 0.274 194 S C -0.530 174.060 174.600 -0.016 0.000 1.121 194 S CA -1.080 57.117 58.200 -0.005 0.000 0.887 194 S CB 2.182 65.386 63.200 0.006 0.000 1.094 194 S HN -0.137 nan 8.310 nan 0.000 0.474 195 R N 1.683 122.168 120.500 -0.025 0.000 2.401 195 R HA 0.333 4.673 4.340 -0.000 0.000 0.299 195 R C -2.301 173.988 176.300 -0.018 0.000 1.064 195 R CA -1.319 54.757 56.100 -0.041 0.000 1.000 195 R CB -0.028 30.248 30.300 -0.040 0.000 0.973 195 R HN 0.496 nan 8.270 nan 0.000 0.438 196 P HA 0.050 nan 4.420 nan 0.000 0.271 196 P C -1.989 175.313 177.300 0.003 0.000 1.233 196 P CA -1.084 62.011 63.100 -0.009 0.000 0.789 196 P CB 0.318 32.003 31.700 -0.025 0.000 0.951 197 P HA -0.030 nan 4.420 nan 0.000 0.223 197 P C -0.068 177.248 177.300 0.027 0.000 1.151 197 P CA 1.350 64.465 63.100 0.024 0.000 0.787 197 P CB 0.386 32.101 31.700 0.024 0.000 0.788 198 L N 0.183 121.411 121.223 0.008 0.000 2.345 198 L HA 0.358 4.697 4.340 -0.000 0.000 0.274 198 L C -0.653 176.313 176.870 0.160 0.000 0.999 198 L CA -0.807 54.061 54.840 0.047 0.000 0.849 198 L CB 2.497 44.545 42.059 -0.019 0.000 1.220 198 L HN -0.366 nan 8.230 nan 0.000 0.422 199 V N 2.853 122.882 119.914 0.192 0.000 2.417 199 V HA 0.481 4.601 4.120 -0.000 0.000 0.291 199 V C -0.526 175.789 176.094 0.367 0.000 1.024 199 V CA -0.517 61.885 62.300 0.169 0.000 0.861 199 V CB 1.479 33.206 31.823 -0.160 0.000 0.985 199 V HN 0.844 nan 8.190 nan 0.000 0.436 200 H N 1.578 120.768 119.070 0.200 0.000 2.985 200 H HA 0.741 5.297 4.556 -0.000 0.000 0.360 200 H C 0.274 175.722 175.328 0.201 0.000 1.221 200 H CA -0.394 55.803 56.048 0.248 0.000 1.121 200 H CB 1.800 31.652 29.762 0.150 0.000 1.854 200 H HN 0.636 nan 8.280 nan 0.000 0.551 201 C N -0.768 118.690 119.300 0.263 0.000 5.133 201 C HA 0.711 5.170 4.460 -0.000 0.000 0.475 201 C C 0.908 175.982 174.990 0.140 0.000 1.286 201 C CA 0.226 59.208 59.018 -0.061 0.000 2.394 201 C CB -0.462 27.130 27.740 -0.247 0.000 3.130 201 C HN 1.033 nan 8.230 nan 0.000 0.490 202 A N 3.507 126.591 122.820 0.439 0.000 2.401 202 A HA 0.613 4.933 4.320 -0.000 0.000 0.259 202 A C 0.259 178.102 177.584 0.431 0.000 1.103 202 A CA 0.403 52.758 52.037 0.530 0.000 0.789 202 A CB 0.207 19.507 19.000 0.499 0.000 1.035 202 A HN 0.845 nan 8.150 nan 0.000 0.491 203 N N 1.144 120.111 118.700 0.445 0.000 2.776 203 N HA 0.310 5.050 4.740 -0.000 0.000 0.319 203 N C 0.869 176.590 175.510 0.352 0.000 1.316 203 N CA -0.143 53.146 53.050 0.399 0.000 0.890 203 N CB -0.257 38.492 38.487 0.437 0.000 1.165 203 N HN 0.281 nan 8.380 nan 0.000 0.596 204 S N -0.302 115.571 115.700 0.288 0.000 2.369 204 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 204 S C 1.897 176.614 174.600 0.195 0.000 1.043 204 S CA 2.128 60.468 58.200 0.233 0.000 1.074 204 S CB -1.019 62.184 63.200 0.006 0.000 0.962 204 S HN 0.748 nan 8.310 nan 0.000 0.433 205 A N 1.427 124.331 122.820 0.141 0.000 1.883 205 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 205 A C 2.376 179.957 177.584 -0.006 0.000 1.186 205 A CA 2.007 54.070 52.037 0.043 0.000 0.624 205 A CB -1.195 17.833 19.000 0.048 0.000 0.822 205 A HN 0.565 nan 8.150 nan 0.000 0.444 206 A N 0.074 122.978 122.820 0.140 0.000 1.930 206 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 206 A C 2.498 180.203 177.584 0.202 0.000 1.175 206 A CA 2.283 54.447 52.037 0.213 0.000 0.627 206 A CB -0.873 18.451 19.000 0.540 0.000 0.815 206 A HN 0.983 nan 8.150 nan 0.000 0.443 207 S N -0.298 115.537 115.700 0.225 0.000 2.406 207 S HA 0.036 4.506 4.470 -0.000 0.000 0.228 207 S C 1.787 176.432 174.600 0.075 0.000 1.020 207 S CA 1.149 59.461 58.200 0.187 0.000 0.965 207 S CB -0.533 62.798 63.200 0.218 0.000 0.798 207 S HN 0.417 nan 8.310 nan 0.000 0.488 208 L N 0.291 121.536 121.223 0.036 0.000 2.240 208 L HA 0.161 4.501 4.340 -0.000 0.000 0.211 208 L C 3.009 179.767 176.870 -0.186 0.000 1.106 208 L CA 0.793 55.609 54.840 -0.040 0.000 0.793 208 L CB -0.201 41.831 42.059 -0.044 0.000 0.927 208 L HN 0.267 nan 8.230 nan 0.000 0.446 209 R N -0.765 119.510 120.500 -0.374 0.000 2.128 209 R HA 0.082 4.422 4.340 -0.000 0.000 0.211 209 R C -0.162 175.562 176.300 -0.960 0.000 1.067 209 R CA 0.641 56.255 56.100 -0.810 0.000 1.010 209 R CB 0.343 29.857 30.300 -1.309 0.000 0.922 209 R HN 0.108 nan 8.270 nan 0.000 0.457 210 F N 0.809 120.723 119.950 -0.060 0.000 2.622 210 F HA 0.332 4.859 4.527 -0.000 0.000 0.338 210 F C -1.875 173.936 175.800 0.017 0.000 1.334 210 F CA -2.601 55.375 58.000 -0.040 0.000 1.179 210 F CB 1.426 40.390 39.000 -0.060 0.000 1.471 210 F HN -0.154 nan 8.300 nan 0.000 0.576 211 P HA -0.164 nan 4.420 nan 0.000 0.222 211 P C 0.968 178.323 177.300 0.091 0.000 1.147 211 P CA 1.431 64.587 63.100 0.094 0.000 0.790 211 P CB 0.245 31.972 31.700 0.044 0.000 0.780 212 D N -0.551 119.901 120.400 0.087 0.000 2.347 212 D HA -0.088 4.552 4.640 -0.000 0.000 0.213 212 D C 0.798 177.107 176.300 0.015 0.000 0.985 212 D CA 0.407 54.432 54.000 0.042 0.000 0.879 212 D CB -0.156 40.662 40.800 0.031 0.000 0.919 212 D HN 0.061 nan 8.370 nan 0.000 0.526 213 R N 1.069 121.610 120.500 0.068 0.000 2.791 213 R HA 0.174 4.513 4.340 -0.000 0.000 0.357 213 R C 0.939 177.356 176.300 0.196 0.000 1.173 213 R CA 0.077 56.205 56.100 0.047 0.000 1.060 213 R CB -0.433 29.826 30.300 -0.069 0.000 1.406 213 R HN 0.280 nan 8.270 nan 0.000 0.580 214 T N -3.588 111.057 114.554 0.151 0.000 3.022 214 T HA 0.247 4.597 4.350 -0.000 0.000 0.250 214 T C 0.732 175.684 174.700 0.421 0.000 1.060 214 T CA -0.234 62.056 62.100 0.317 0.000 1.013 214 T CB -0.122 68.899 68.868 0.254 0.000 0.982 214 T HN 0.151 nan 8.240 nan 0.000 0.508 215 F N 2.118 122.218 119.950 0.250 0.000 2.183 215 F HA -0.336 4.191 4.527 -0.000 0.000 0.318 215 F C 1.195 177.103 175.800 0.180 0.000 0.144 215 F CA 1.336 59.462 58.000 0.210 0.000 0.912 215 F CB -1.177 37.973 39.000 0.251 0.000 4.135 215 F HN 0.185 nan 8.300 nan 0.000 0.137 216 N N 0.117 119.076 118.700 0.432 0.000 2.422 216 N HA 0.260 5.000 4.740 -0.000 0.000 0.181 216 N C -0.173 175.502 175.510 0.275 0.000 1.080 216 N CA 0.881 54.109 53.050 0.296 0.000 0.893 216 N CB 0.609 39.245 38.487 0.249 0.000 0.973 216 N HN 0.416 nan 8.380 nan 0.000 0.456 217 M N 0.731 120.495 119.600 0.273 0.000 2.414 217 M HA 0.326 4.806 4.480 -0.000 0.000 0.287 217 M C -2.024 174.409 176.300 0.223 0.000 1.181 217 M CA -0.927 54.485 55.300 0.187 0.000 0.933 217 M CB 1.906 34.505 32.600 -0.003 0.000 1.732 217 M HN -0.120 nan 8.290 nan 0.000 0.486 218 V N 1.402 121.419 119.914 0.171 0.000 2.815 218 V HA 0.731 4.851 4.120 -0.000 0.000 0.314 218 V C -1.016 175.185 176.094 0.177 0.000 1.064 218 V CA -0.747 61.681 62.300 0.214 0.000 0.952 218 V CB 2.074 34.010 31.823 0.189 0.000 1.020 218 V HN 0.977 nan 8.190 nan 0.000 0.439 219 R N 3.249 123.891 120.500 0.236 0.000 2.278 219 R HA 0.430 4.770 4.340 -0.000 0.000 0.322 219 R C -1.397 175.077 176.300 0.290 0.000 1.058 219 R CA -0.358 55.863 56.100 0.202 0.000 0.991 219 R CB 1.145 31.555 30.300 0.184 0.000 1.140 219 R HN 0.732 nan 8.270 nan 0.000 0.518 220 F N 2.420 122.397 119.950 0.044 0.000 2.413 220 F HA 0.330 4.856 4.527 -0.000 0.000 0.359 220 F C 0.753 176.533 175.800 -0.033 0.000 1.122 220 F CA -0.136 57.873 58.000 0.014 0.000 1.160 220 F CB 0.866 39.845 39.000 -0.034 0.000 1.146 220 F HN 0.560 nan 8.300 nan 0.000 0.514 221 G N 4.804 113.450 108.800 -0.256 0.000 2.560 221 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.212 221 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.212 221 G C 1.086 175.779 174.900 -0.345 0.000 2.038 221 G CA 0.155 45.106 45.100 -0.248 0.000 0.728 221 G HN 0.534 nan 8.290 nan 0.000 0.784 222 I N 2.026 122.569 120.570 -0.045 0.000 2.185 222 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 222 I C 2.857 178.845 176.117 -0.215 0.000 1.088 222 I CA 2.015 63.279 61.300 -0.060 0.000 1.347 222 I CB -0.176 37.581 38.000 -0.405 0.000 1.041 222 I HN 0.246 nan 8.210 nan 0.000 0.415 223 A N -0.340 122.207 122.820 -0.455 0.000 2.067 223 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 223 A C 2.401 179.654 177.584 -0.551 0.000 1.158 223 A CA 1.577 53.339 52.037 -0.459 0.000 0.661 223 A CB -0.807 17.968 19.000 -0.375 0.000 0.801 223 A HN 0.629 nan 8.150 nan 0.000 0.452 224 M N -1.460 117.544 119.600 -0.993 0.000 2.229 224 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 224 M C 0.996 176.942 176.300 -0.590 0.000 1.063 224 M CA 1.635 56.521 55.300 -0.690 0.000 1.114 224 M CB -0.184 31.903 32.600 -0.855 0.000 1.387 224 M HN 0.451 nan 8.290 nan 0.000 0.420 225 Y N 0.218 120.320 120.300 -0.330 0.000 2.490 225 Y HA 0.334 4.884 4.550 -0.000 0.000 0.281 225 Y C 1.576 177.412 175.900 -0.107 0.000 1.174 225 Y CA 0.474 58.400 58.100 -0.289 0.000 1.295 225 Y CB -0.360 37.825 38.460 -0.459 0.000 1.062 225 Y HN 0.509 nan 8.280 nan 0.000 0.522 226 G N 0.449 109.246 108.800 -0.006 0.000 2.136 226 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 226 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 226 G C -0.324 174.588 174.900 0.020 0.000 0.989 226 G CA -0.077 45.043 45.100 0.033 0.000 0.682 226 G HN 0.276 nan 8.290 nan 0.000 0.522 227 L N 0.389 121.602 121.223 -0.017 0.000 2.322 227 L HA 0.794 5.134 4.340 -0.000 0.000 0.281 227 L C 0.836 177.653 176.870 -0.089 0.000 1.014 227 L CA -0.713 54.102 54.840 -0.043 0.000 0.815 227 L CB 1.957 43.979 42.059 -0.062 0.000 1.247 227 L HN 0.270 nan 8.230 nan 0.000 0.421 228 A N 3.928 126.711 122.820 -0.062 0.000 2.440 228 A HA 0.392 4.712 4.320 -0.000 0.000 0.251 228 A C -1.670 175.890 177.584 -0.040 0.000 1.089 228 A CA -1.059 50.943 52.037 -0.058 0.000 0.779 228 A CB 0.067 19.044 19.000 -0.038 0.000 1.022 228 A HN 0.632 nan 8.150 nan 0.000 0.492 229 P HA -0.089 nan 4.420 nan 0.000 0.218 229 P C 0.260 177.647 177.300 0.146 0.000 1.146 229 P CA 1.978 65.138 63.100 0.099 0.000 0.813 229 P CB 0.078 31.841 31.700 0.104 0.000 0.778 230 S N -5.795 109.943 115.700 0.064 0.000 2.565 230 S HA 0.390 4.860 4.470 -0.000 0.000 0.274 230 S C -2.766 171.846 174.600 0.020 0.000 1.144 230 S CA -1.231 57.002 58.200 0.056 0.000 0.849 230 S CB 1.374 64.605 63.200 0.052 0.000 1.103 230 S HN -0.290 nan 8.310 nan 0.000 0.455 231 P HA 0.114 nan 4.420 nan 0.000 0.219 231 P C 1.690 178.990 177.300 -0.001 0.000 1.150 231 P CA 1.597 64.702 63.100 0.009 0.000 0.814 231 P CB -0.364 31.344 31.700 0.015 0.000 0.787 232 G N 1.063 109.863 108.800 -0.000 0.000 2.418 232 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 232 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 232 G C 1.334 176.220 174.900 -0.024 0.000 1.158 232 G CA 0.796 45.891 45.100 -0.008 0.000 0.771 232 G HN 0.449 nan 8.290 nan 0.000 0.545 233 I N -2.702 117.848 120.570 -0.032 0.000 3.793 233 I HA 0.313 4.483 4.170 -0.000 0.000 0.315 233 I C 1.989 178.066 176.117 -0.065 0.000 1.275 233 I CA 0.034 61.297 61.300 -0.061 0.000 1.214 233 I CB 0.106 38.056 38.000 -0.083 0.000 1.018 233 I HN -0.080 nan 8.210 nan 0.000 0.439 234 K N 2.277 122.650 120.400 -0.045 0.000 2.044 234 K HA -0.089 4.231 4.320 -0.000 0.000 0.210 234 K C -0.551 176.018 176.600 -0.052 0.000 1.049 234 K CA 1.856 58.115 56.287 -0.047 0.000 0.927 234 K CB -1.257 31.227 32.500 -0.026 0.000 0.713 234 K HN 0.418 nan 8.250 nan 0.000 0.443 235 P HA -0.012 nan 4.420 nan 0.000 0.253 235 P C 0.466 177.734 177.300 -0.053 0.000 1.281 235 P CA 0.851 63.928 63.100 -0.039 0.000 0.792 235 P CB -0.060 31.624 31.700 -0.027 0.000 1.193 236 L N -1.875 119.303 121.223 -0.076 0.000 2.966 236 L HA 0.225 4.564 4.340 -0.000 0.000 0.262 236 L C 0.275 177.070 176.870 -0.125 0.000 1.165 236 L CA -0.522 54.259 54.840 -0.098 0.000 0.978 236 L CB 0.126 42.113 42.059 -0.120 0.000 1.337 236 L HN -0.125 nan 8.230 nan 0.000 0.563 237 L N 2.459 123.607 121.223 -0.125 0.000 2.410 237 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 237 L C -0.664 176.122 176.870 -0.140 0.000 1.152 237 L CA -1.315 53.424 54.840 -0.167 0.000 0.855 237 L CB 0.076 42.016 42.059 -0.199 0.000 1.129 237 L HN -0.115 nan 8.230 nan 0.000 0.463 238 P HA -0.137 nan 4.420 nan 0.000 0.216 238 P C -0.552 176.806 177.300 0.097 0.000 1.150 238 P CA 1.430 64.529 63.100 -0.002 0.000 0.837 238 P CB 0.060 31.806 31.700 0.077 0.000 0.786 239 Y N -3.006 117.288 120.300 -0.011 0.000 2.581 239 Y HA 0.790 5.340 4.550 -0.000 0.000 0.345 239 Y C -3.041 172.864 175.900 0.008 0.000 1.036 239 Y CA -3.679 54.420 58.100 -0.002 0.000 1.042 239 Y CB -0.518 37.941 38.460 -0.002 0.000 1.289 239 Y HN -0.349 nan 8.280 nan 0.000 0.471 240 P HA 0.272 nan 4.420 nan 0.000 0.276 240 P C -0.819 176.552 177.300 0.118 0.000 1.235 240 P CA -0.086 63.060 63.100 0.076 0.000 0.772 240 P CB 0.813 32.566 31.700 0.088 0.000 0.871 241 L N 3.215 124.450 121.223 0.020 0.000 2.375 241 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 241 L C 0.863 177.780 176.870 0.079 0.000 1.107 241 L CA -0.428 54.442 54.840 0.050 0.000 0.806 241 L CB 0.570 42.615 42.059 -0.023 0.000 1.146 241 L HN 0.227 nan 8.230 nan 0.000 0.447 242 K N 2.510 122.971 120.400 0.102 0.000 2.367 242 K HA 0.252 4.571 4.320 -0.000 0.000 0.263 242 K C -0.674 175.984 176.600 0.097 0.000 1.000 242 K CA -0.568 55.776 56.287 0.094 0.000 0.891 242 K CB 1.746 34.308 32.500 0.103 0.000 1.117 242 K HN 0.456 nan 8.250 nan 0.000 0.443 243 E N 1.758 122.015 120.200 0.095 0.000 2.417 243 E HA -0.011 4.339 4.350 -0.000 0.000 0.261 243 E C 0.331 177.026 176.600 0.159 0.000 1.000 243 E CA 0.004 56.481 56.400 0.128 0.000 0.919 243 E CB 0.759 30.527 29.700 0.113 0.000 0.955 243 E HN 0.727 nan 8.360 nan 0.000 0.455 244 A N 5.232 128.196 122.820 0.240 0.000 2.197 244 A HA 0.113 4.433 4.320 -0.000 0.000 0.210 244 A C 0.098 177.880 177.584 0.329 0.000 1.180 244 A CA -0.170 52.033 52.037 0.277 0.000 0.846 244 A CB 0.260 19.449 19.000 0.315 0.000 0.884 244 A HN 0.600 nan 8.150 nan 0.000 0.487 245 F N 1.651 121.715 119.950 0.191 0.000 2.420 245 F HA 0.529 5.056 4.527 -0.000 0.000 0.342 245 F C 0.370 176.151 175.800 -0.031 0.000 1.113 245 F CA -0.184 57.840 58.000 0.041 0.000 1.059 245 F CB 1.474 40.425 39.000 -0.082 0.000 1.128 245 F HN 0.087 nan 8.300 nan 0.000 0.475 246 S N 6.144 121.610 115.700 -0.390 0.000 2.569 246 S HA 0.813 5.283 4.470 -0.000 0.000 0.280 246 S C -1.802 172.369 174.600 -0.714 0.000 1.111 246 S CA -0.855 57.134 58.200 -0.353 0.000 0.887 246 S CB 2.054 65.161 63.200 -0.156 0.000 1.095 246 S HN 0.746 nan 8.310 nan 0.000 0.476 247 L N 2.271 122.993 121.223 -0.835 0.000 2.410 247 L HA 0.679 5.019 4.340 -0.000 0.000 0.270 247 L C -1.228 174.911 176.870 -1.220 0.000 0.983 247 L CA -0.070 54.258 54.840 -0.853 0.000 0.822 247 L CB 1.634 43.436 42.059 -0.428 0.000 1.285 247 L HN 1.002 nan 8.230 nan 0.000 0.409 248 H N 2.238 120.788 119.070 -0.867 0.000 2.946 248 H HA 0.780 5.336 4.556 -0.000 0.000 0.365 248 H C -1.130 173.600 175.328 -0.997 0.000 1.197 248 H CA -0.856 54.611 56.048 -0.970 0.000 1.131 248 H CB 2.224 31.247 29.762 -1.233 0.000 1.849 248 H HN 0.605 nan 8.280 nan 0.000 0.555 249 S N -0.331 115.056 115.700 -0.522 0.000 2.790 249 S HA 0.631 5.101 4.470 -0.000 0.000 0.292 249 S C -1.327 173.250 174.600 -0.039 0.000 1.197 249 S CA -0.745 57.305 58.200 -0.251 0.000 0.851 249 S CB 2.127 65.193 63.200 -0.224 0.000 1.217 249 S HN 0.631 nan 8.310 nan 0.000 0.526 250 R N 0.538 121.075 120.500 0.061 0.000 2.740 250 R HA 0.512 4.852 4.340 -0.000 0.000 0.273 250 R C -1.253 175.080 176.300 0.055 0.000 0.998 250 R CA -0.752 55.403 56.100 0.092 0.000 0.900 250 R CB 1.318 31.721 30.300 0.171 0.000 1.223 250 R HN 0.522 nan 8.270 nan 0.000 0.466 251 L N 2.579 123.830 121.223 0.045 0.000 2.455 251 L HA 0.068 4.408 4.340 -0.000 0.000 0.272 251 L C 1.368 178.280 176.870 0.069 0.000 1.174 251 L CA -0.078 54.789 54.840 0.046 0.000 0.869 251 L CB 0.797 42.878 42.059 0.037 0.000 1.130 251 L HN 0.619 nan 8.230 nan 0.000 0.474 252 V N -1.501 118.465 119.914 0.086 0.000 3.645 252 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 252 V C 0.013 176.211 176.094 0.173 0.000 1.356 252 V CA 0.097 62.457 62.300 0.100 0.000 1.051 252 V CB -0.124 31.743 31.823 0.074 0.000 0.828 252 V HN 0.840 nan 8.190 nan 0.000 0.441 253 H N -0.748 118.343 119.070 0.034 0.000 3.079 253 H HA 0.791 5.347 4.556 -0.000 0.000 0.356 253 H C -1.756 173.612 175.328 0.066 0.000 1.221 253 H CA -0.541 55.533 56.048 0.045 0.000 1.185 253 H CB 2.271 32.054 29.762 0.034 0.000 1.882 253 H HN -0.005 nan 8.280 nan 0.000 0.543 254 V N 4.983 124.728 119.914 -0.282 0.000 2.733 254 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 254 V C -0.881 175.089 176.094 -0.207 0.000 1.084 254 V CA -0.799 61.424 62.300 -0.129 0.000 0.905 254 V CB 1.910 33.762 31.823 0.049 0.000 1.010 254 V HN 0.886 nan 8.190 nan 0.000 0.424 255 K N 2.604 122.962 120.400 -0.070 0.000 2.555 255 K HA 0.690 5.009 4.320 -0.000 0.000 0.279 255 K C -1.515 174.876 176.600 -0.349 0.000 0.986 255 K CA -1.169 55.031 56.287 -0.144 0.000 0.880 255 K CB 2.883 35.234 32.500 -0.247 0.000 1.474 255 K HN 0.418 nan 8.250 nan 0.000 0.433 256 K N 2.197 122.163 120.400 -0.723 0.000 2.235 256 K HA 0.363 4.683 4.320 -0.000 0.000 0.266 256 K C -0.959 175.347 176.600 -0.490 0.000 0.980 256 K CA -0.712 54.947 56.287 -1.047 0.000 0.849 256 K CB 0.982 32.581 32.500 -1.501 0.000 1.098 256 K HN 0.538 nan 8.250 nan 0.000 0.445 257 L N 3.738 124.749 121.223 -0.353 0.000 2.325 257 L HA 0.293 4.633 4.340 -0.000 0.000 0.279 257 L C 0.202 176.976 176.870 -0.160 0.000 1.054 257 L CA -0.871 53.860 54.840 -0.181 0.000 0.804 257 L CB 1.641 43.653 42.059 -0.079 0.000 1.200 257 L HN 0.613 nan 8.230 nan 0.000 0.436 258 Q N 2.546 122.280 119.800 -0.110 0.000 2.221 258 Q HA 0.375 4.715 4.340 -0.000 0.000 0.242 258 Q C -2.227 173.737 176.000 -0.061 0.000 0.940 258 Q CA -2.125 53.626 55.803 -0.086 0.000 0.896 258 Q CB 0.932 29.629 28.738 -0.068 0.000 1.226 258 Q HN 0.264 nan 8.270 nan 0.000 0.463 259 P HA 0.087 nan 4.420 nan 0.000 0.265 259 P C 0.428 177.701 177.300 -0.046 0.000 1.193 259 P CA 1.009 64.081 63.100 -0.047 0.000 0.765 259 P CB 0.473 32.149 31.700 -0.039 0.000 0.823 260 G N 1.672 110.439 108.800 -0.055 0.000 2.254 260 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.225 260 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.225 260 G C 0.029 174.904 174.900 -0.041 0.000 1.003 260 G CA -0.406 44.664 45.100 -0.050 0.000 0.622 260 G HN 0.554 nan 8.290 nan 0.000 0.507 261 E N 1.251 121.432 120.200 -0.032 0.000 2.360 261 E HA 0.431 4.781 4.350 -0.000 0.000 0.269 261 E C 0.127 176.732 176.600 0.007 0.000 1.022 261 E CA 0.207 56.600 56.400 -0.012 0.000 0.887 261 E CB 0.733 30.425 29.700 -0.013 0.000 0.990 261 E HN 0.261 nan 8.360 nan 0.000 0.426 262 K N 0.877 121.291 120.400 0.022 0.000 2.090 262 K HA 0.462 4.782 4.320 -0.000 0.000 0.249 262 K C -0.845 175.814 176.600 0.098 0.000 0.995 262 K CA -0.523 55.797 56.287 0.055 0.000 0.914 262 K CB 1.444 33.966 32.500 0.037 0.000 1.057 262 K HN 0.154 nan 8.250 nan 0.000 0.462 263 V N 1.162 121.172 119.914 0.159 0.000 2.686 263 V HA 0.468 4.588 4.120 -0.000 0.000 0.306 263 V C -0.341 175.794 176.094 0.070 0.000 1.065 263 V CA -0.710 61.661 62.300 0.118 0.000 0.894 263 V CB 1.464 33.377 31.823 0.150 0.000 1.004 263 V HN 0.950 nan 8.190 nan 0.000 0.424 264 S N 2.737 118.421 115.700 -0.026 0.000 3.756 264 S HA -0.202 4.268 4.470 -0.000 0.000 0.640 264 S C -0.380 174.182 174.600 -0.064 0.000 2.059 264 S CA 0.056 58.188 58.200 -0.112 0.000 2.224 264 S CB -0.631 62.545 63.200 -0.041 0.000 0.327 264 S HN 0.712 nan 8.310 nan 0.000 1.789 265 Y N 1.343 121.683 120.300 0.067 0.000 2.811 265 Y HA 0.237 4.787 4.550 -0.000 0.000 0.334 265 Y C 1.949 177.884 175.900 0.058 0.000 1.247 265 Y CA 1.154 59.290 58.100 0.061 0.000 1.526 265 Y CB -0.040 38.459 38.460 0.066 0.000 1.284 265 Y HN 1.303 nan 8.280 nan 0.000 0.586 266 G N 1.951 110.895 108.800 0.240 0.000 2.212 266 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.266 266 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.266 266 G C 0.660 175.626 174.900 0.110 0.000 0.978 266 G CA 0.195 45.382 45.100 0.144 0.000 0.632 266 G HN 1.906 nan 8.290 nan 0.000 0.537 267 A N -1.150 121.736 122.820 0.110 0.000 2.745 267 A HA 0.005 4.325 4.320 -0.000 0.000 0.296 267 A C 2.124 179.762 177.584 0.091 0.000 1.500 267 A CA 2.583 54.671 52.037 0.086 0.000 0.766 267 A CB -2.354 16.683 19.000 0.061 0.000 1.030 267 A HN 2.489 nan 8.150 nan 0.000 0.489 268 T N -3.462 111.165 114.554 0.120 0.000 3.118 268 T HA 0.263 4.613 4.350 -0.000 0.000 0.260 268 T C 0.313 175.110 174.700 0.162 0.000 1.139 268 T CA 1.252 63.426 62.100 0.124 0.000 1.085 268 T CB -0.166 68.783 68.868 0.134 0.000 0.934 268 T HN 1.246 nan 8.240 nan 0.000 0.518 269 Y N 1.274 121.601 120.300 0.046 0.000 2.409 269 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 269 Y C -0.968 174.948 175.900 0.027 0.000 0.973 269 Y CA -0.841 57.285 58.100 0.044 0.000 1.064 269 Y CB 2.114 40.600 38.460 0.043 0.000 1.207 269 Y HN -0.006 nan 8.280 nan 0.000 0.452 270 T N 5.374 119.501 114.554 -0.711 0.000 2.841 270 T HA 0.647 4.997 4.350 -0.000 0.000 0.285 270 T C -0.638 173.671 174.700 -0.652 0.000 0.991 270 T CA -0.585 61.241 62.100 -0.458 0.000 0.966 270 T CB 1.164 69.882 68.868 -0.249 0.000 0.962 270 T HN 0.859 nan 8.240 nan 0.000 0.438 271 A N 2.657 125.317 122.820 -0.268 0.000 2.524 271 A HA 0.246 4.566 4.320 -0.000 0.000 0.250 271 A C 1.357 178.866 177.584 -0.125 0.000 1.078 271 A CA -0.122 51.851 52.037 -0.107 0.000 0.761 271 A CB 0.261 19.268 19.000 0.012 0.000 1.012 271 A HN 0.723 nan 8.150 nan 0.000 0.500 272 Q N 0.611 120.356 119.800 -0.092 0.000 2.212 272 Q HA 0.047 4.387 4.340 -0.000 0.000 0.199 272 Q C 1.080 177.059 176.000 -0.035 0.000 0.950 272 Q CA 1.778 57.541 55.803 -0.066 0.000 0.863 272 Q CB 0.005 28.717 28.738 -0.043 0.000 0.944 272 Q HN 1.021 nan 8.270 nan 0.000 0.465 273 T N -3.883 110.661 114.554 -0.017 0.000 2.618 273 T HA 0.378 4.728 4.350 -0.000 0.000 0.286 273 T C -0.551 174.133 174.700 -0.028 0.000 1.027 273 T CA -0.940 61.150 62.100 -0.016 0.000 1.063 273 T CB 1.219 70.087 68.868 0.000 0.000 1.440 273 T HN -0.132 nan 8.240 nan 0.000 0.505 274 E N 1.914 122.091 120.200 -0.039 0.000 2.328 274 E HA 0.247 4.597 4.350 -0.000 0.000 0.265 274 E C -0.200 176.346 176.600 -0.090 0.000 1.057 274 E CA 0.091 56.438 56.400 -0.089 0.000 0.916 274 E CB 0.294 29.945 29.700 -0.081 0.000 0.993 274 E HN 0.566 nan 8.360 nan 0.000 0.446 275 E N 2.747 122.860 120.200 -0.146 0.000 2.367 275 E HA 0.324 4.673 4.350 -0.000 0.000 0.273 275 E C -1.173 175.284 176.600 -0.240 0.000 0.903 275 E CA -1.004 55.343 56.400 -0.087 0.000 0.764 275 E CB 0.878 30.604 29.700 0.043 0.000 1.252 275 E HN 0.254 nan 8.360 nan 0.000 0.446 276 W N 2.023 123.325 121.300 0.003 0.000 2.331 276 W HA 0.348 5.008 4.660 0.000 0.000 0.306 276 W C -0.485 176.017 176.519 -0.028 0.000 1.162 276 W CA -0.495 56.838 57.345 -0.020 0.000 1.232 276 W CB 0.799 30.244 29.460 -0.025 0.000 1.235 276 W HN 0.310 nan 8.180 nan 0.000 0.479 277 I N 3.746 124.376 120.570 0.100 0.000 2.404 277 I HA 0.488 4.658 4.170 -0.000 0.000 0.293 277 I C 0.608 176.748 176.117 0.038 0.000 0.992 277 I CA -0.731 60.592 61.300 0.039 0.000 1.149 277 I CB 0.884 38.873 38.000 -0.018 0.000 1.315 277 I HN 0.512 nan 8.210 nan 0.000 0.446 278 G N 4.036 112.854 108.800 0.031 0.000 2.416 278 G HA2 0.626 4.585 3.960 -0.000 0.000 0.329 278 G HA3 0.626 4.585 3.960 -0.000 0.000 0.329 278 G C -0.778 174.134 174.900 0.019 0.000 1.173 278 G CA -0.262 44.853 45.100 0.025 0.000 0.929 278 G HN 0.487 nan 8.290 nan 0.000 0.475 279 T N 1.936 116.517 114.554 0.045 0.000 2.794 279 T HA 0.532 4.882 4.350 -0.000 0.000 0.280 279 T C 0.264 174.986 174.700 0.037 0.000 0.987 279 T CA -0.171 61.959 62.100 0.049 0.000 0.993 279 T CB 1.012 69.937 68.868 0.096 0.000 0.939 279 T HN 0.610 nan 8.240 nan 0.000 0.449 280 I N 0.840 121.412 120.570 0.005 0.000 2.530 280 I HA 0.590 4.760 4.170 -0.000 0.000 0.297 280 I C -2.554 173.546 176.117 -0.028 0.000 1.011 280 I CA -3.423 57.866 61.300 -0.019 0.000 1.107 280 I CB 2.534 40.493 38.000 -0.067 0.000 1.285 280 I HN 0.245 nan 8.210 nan 0.000 0.436 281 P HA 0.318 nan 4.420 nan 0.000 0.225 281 P C -0.603 176.661 177.300 -0.060 0.000 1.768 281 P CA 0.398 63.485 63.100 -0.021 0.000 0.943 281 P CB -0.120 31.590 31.700 0.016 0.000 1.936 282 I N -0.306 120.210 120.570 -0.089 0.000 2.692 282 I HA 0.727 4.897 4.170 -0.000 0.000 0.293 282 I C -0.585 175.502 176.117 -0.050 0.000 1.200 282 I CA -0.611 60.617 61.300 -0.120 0.000 1.036 282 I CB 2.329 40.172 38.000 -0.262 0.000 1.258 282 I HN 0.161 nan 8.210 nan 0.000 0.421 283 G N 3.811 112.599 108.800 -0.019 0.000 2.870 283 G HA2 0.222 4.182 3.960 -0.000 0.000 0.299 283 G HA3 0.222 4.182 3.960 -0.000 0.000 0.299 283 G C -0.488 174.462 174.900 0.083 0.000 1.324 283 G CA -0.158 44.949 45.100 0.012 0.000 0.808 283 G HN 0.681 nan 8.290 nan 0.000 0.535 284 Y N -1.320 119.057 120.300 0.129 0.000 2.497 284 Y HA 0.341 4.891 4.550 -0.000 0.000 0.292 284 Y C 2.356 178.298 175.900 0.070 0.000 1.137 284 Y CA 1.029 59.187 58.100 0.096 0.000 1.285 284 Y CB -0.600 37.892 38.460 0.055 0.000 0.991 284 Y HN 0.342 nan 8.280 nan 0.000 0.556 285 A N 0.299 123.096 122.820 -0.039 0.000 2.206 285 A HA -0.040 4.280 4.320 -0.000 0.000 0.211 285 A C 1.348 178.931 177.584 -0.002 0.000 1.158 285 A CA 1.134 53.187 52.037 0.027 0.000 0.761 285 A CB -0.436 18.529 19.000 -0.059 0.000 0.801 285 A HN 0.500 nan 8.150 nan 0.000 0.473 286 D N -1.465 118.937 120.400 0.003 0.000 2.369 286 D HA 0.250 4.890 4.640 -0.000 0.000 0.211 286 D C 1.299 177.635 176.300 0.060 0.000 1.077 286 D CA 1.011 54.997 54.000 -0.023 0.000 0.842 286 D CB 0.590 41.363 40.800 -0.045 0.000 0.947 286 D HN 0.534 nan 8.370 nan 0.000 0.509 287 G N 0.780 109.656 108.800 0.126 0.000 2.179 287 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 287 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 287 G C -0.012 175.017 174.900 0.214 0.000 0.990 287 G CA -0.336 44.846 45.100 0.137 0.000 0.646 287 G HN 0.359 nan 8.290 nan 0.000 0.517 288 W N 3.746 125.049 121.300 0.004 0.000 1.912 288 W HA 0.554 5.214 4.660 -0.000 0.000 0.399 288 W C 0.572 177.127 176.519 0.060 0.000 0.800 288 W CA -0.772 56.572 57.345 -0.001 0.000 1.593 288 W CB -0.348 29.102 29.460 -0.016 0.000 1.769 288 W HN 0.080 nan 8.180 nan 0.000 0.281 289 L N 3.855 125.040 121.223 -0.063 0.000 2.529 289 L HA -0.074 4.266 4.340 -0.000 0.000 0.287 289 L C 1.867 178.679 176.870 -0.098 0.000 1.241 289 L CA 0.372 55.179 54.840 -0.055 0.000 0.857 289 L CB 0.258 42.242 42.059 -0.124 0.000 1.113 289 L HN 0.365 nan 8.230 nan 0.000 0.504 290 R N 1.038 121.509 120.500 -0.048 0.000 2.170 290 R HA -0.178 4.161 4.340 -0.000 0.000 0.242 290 R C 2.063 178.316 176.300 -0.078 0.000 1.145 290 R CA 1.280 57.356 56.100 -0.041 0.000 0.984 290 R CB -0.305 29.930 30.300 -0.108 0.000 0.869 290 R HN 0.497 nan 8.270 nan 0.000 0.455 291 R N 1.048 121.483 120.500 -0.109 0.000 2.328 291 R HA -0.052 4.288 4.340 -0.000 0.000 0.207 291 R C 1.100 177.378 176.300 -0.036 0.000 1.056 291 R CA 0.673 56.724 56.100 -0.081 0.000 1.016 291 R CB 0.014 30.250 30.300 -0.107 0.000 0.872 291 R HN 0.225 nan 8.270 nan 0.000 0.471 292 L N 0.447 121.571 121.223 -0.165 0.000 2.629 292 L HA 0.064 4.404 4.340 -0.000 0.000 0.230 292 L C 2.085 178.899 176.870 -0.092 0.000 1.151 292 L CA 0.061 54.748 54.840 -0.256 0.000 0.924 292 L CB -0.028 41.540 42.059 -0.818 0.000 1.137 292 L HN 0.302 nan 8.230 nan 0.000 0.457 293 Q N 0.131 119.902 119.800 -0.048 0.000 2.248 293 Q HA -0.243 4.097 4.340 -0.000 0.000 0.208 293 Q C 0.791 176.673 176.000 -0.197 0.000 0.984 293 Q CA 1.691 57.413 55.803 -0.135 0.000 0.875 293 Q CB 0.062 28.645 28.738 -0.257 0.000 0.910 293 Q HN 0.634 nan 8.270 nan 0.000 0.433 294 H N -1.850 117.355 119.070 0.225 0.000 2.528 294 H HA 0.210 4.766 4.556 -0.000 0.000 0.282 294 H C -0.597 174.834 175.328 0.172 0.000 1.097 294 H CA -0.676 55.504 56.048 0.221 0.000 1.121 294 H CB 0.336 30.264 29.762 0.275 0.000 1.590 294 H HN 0.138 nan 8.280 nan 0.000 0.553 295 F N 2.278 122.121 119.950 -0.179 0.000 2.352 295 F HA 0.179 4.706 4.527 -0.000 0.000 0.304 295 F C 0.663 176.452 175.800 -0.019 0.000 1.215 295 F CA -0.712 57.089 58.000 -0.331 0.000 1.121 295 F CB 0.716 39.351 39.000 -0.609 0.000 1.329 295 F HN 0.197 nan 8.300 nan 0.000 0.528 296 H N 0.769 119.438 119.070 -0.668 0.000 2.747 296 H HA 0.612 5.168 4.556 -0.000 0.000 0.371 296 H C -1.297 173.829 175.328 -0.336 0.000 1.161 296 H CA -0.919 54.900 56.048 -0.382 0.000 1.167 296 H CB 0.809 30.351 29.762 -0.368 0.000 1.732 296 H HN 0.583 nan 8.280 nan 0.000 0.544 297 V N 0.134 119.968 119.914 -0.132 0.000 3.204 297 V HA 0.593 4.713 4.120 -0.000 0.000 0.316 297 V C -0.369 175.707 176.094 -0.030 0.000 1.160 297 V CA -1.295 60.937 62.300 -0.113 0.000 1.044 297 V CB 1.830 33.616 31.823 -0.062 0.000 1.136 297 V HN 0.659 nan 8.190 nan 0.000 0.455 298 L N 1.593 122.791 121.223 -0.042 0.000 2.296 298 L HA 0.780 5.120 4.340 -0.000 0.000 0.286 298 L C -0.707 176.151 176.870 -0.019 0.000 1.023 298 L CA -0.674 54.162 54.840 -0.007 0.000 0.812 298 L CB 1.651 43.706 42.059 -0.007 0.000 1.223 298 L HN 0.595 nan 8.230 nan 0.000 0.421 299 V N 2.985 122.894 119.914 -0.008 0.000 2.668 299 V HA 0.283 4.403 4.120 -0.000 0.000 0.304 299 V C -0.294 175.794 176.094 -0.010 0.000 1.071 299 V CA -0.195 62.097 62.300 -0.012 0.000 0.894 299 V CB 1.828 33.643 31.823 -0.013 0.000 1.008 299 V HN 0.906 nan 8.190 nan 0.000 0.425 300 D N 4.649 125.042 120.400 -0.010 0.000 2.811 300 D HA -0.156 4.484 4.640 -0.000 0.000 0.231 300 D C 1.104 177.398 176.300 -0.011 0.000 1.157 300 D CA 2.281 56.273 54.000 -0.013 0.000 0.716 300 D CB -1.108 39.678 40.800 -0.023 0.000 1.077 300 D HN 1.988 nan 8.370 nan 0.000 0.428 301 G N -1.179 107.618 108.800 -0.005 0.000 2.179 301 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 301 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 301 G C 0.020 174.917 174.900 -0.005 0.000 0.977 301 G CA 0.675 45.773 45.100 -0.004 0.000 0.641 301 G HN 0.791 nan 8.290 nan 0.000 0.533 302 Q N -0.283 119.514 119.800 -0.005 0.000 2.433 302 Q HA 0.638 4.978 4.340 -0.000 0.000 0.279 302 Q C -0.740 175.261 176.000 0.002 0.000 1.105 302 Q CA -1.203 54.595 55.803 -0.008 0.000 0.815 302 Q CB 1.643 30.372 28.738 -0.014 0.000 1.403 302 Q HN 0.259 nan 8.270 nan 0.000 0.435 303 K N 0.737 121.131 120.400 -0.010 0.000 2.339 303 K HA 0.530 4.850 4.320 -0.000 0.000 0.286 303 K C -0.759 175.844 176.600 0.005 0.000 1.050 303 K CA -0.169 56.127 56.287 0.016 0.000 0.956 303 K CB 0.953 33.366 32.500 -0.146 0.000 0.990 303 K HN 0.640 nan 8.250 nan 0.000 0.475 304 A N 5.230 128.073 122.820 0.040 0.000 2.330 304 A HA 0.469 4.789 4.320 -0.000 0.000 0.313 304 A C -2.470 175.139 177.584 0.043 0.000 1.124 304 A CA -1.839 50.213 52.037 0.025 0.000 0.774 304 A CB 0.897 19.906 19.000 0.014 0.000 1.198 304 A HN 0.429 nan 8.150 nan 0.000 0.465 305 P HA 0.313 nan 4.420 nan 0.000 0.279 305 P C -0.512 176.798 177.300 0.016 0.000 1.239 305 P CA -0.039 63.089 63.100 0.047 0.000 0.789 305 P CB 0.836 32.568 31.700 0.053 0.000 0.933 306 I N 3.022 123.615 120.570 0.040 0.000 2.471 306 I HA 0.083 4.253 4.170 -0.000 0.000 0.286 306 I C 0.771 176.852 176.117 -0.061 0.000 1.079 306 I CA -0.253 61.058 61.300 0.018 0.000 1.398 306 I CB 0.807 38.864 38.000 0.094 0.000 1.403 306 I HN 0.167 nan 8.210 nan 0.000 0.530 307 V N 3.753 123.558 119.914 -0.182 0.000 2.581 307 V HA 1.017 5.137 4.120 -0.000 0.000 0.303 307 V C 0.309 176.240 176.094 -0.271 0.000 1.041 307 V CA -0.151 61.906 62.300 -0.405 0.000 0.907 307 V CB 0.813 32.006 31.823 -1.050 0.000 0.994 307 V HN 1.096 nan 8.190 nan 0.000 0.442 308 G N 3.618 112.346 108.800 -0.121 0.000 2.828 308 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.463 308 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.463 308 G C -0.338 174.571 174.900 0.014 0.000 1.394 308 G CA -0.338 44.778 45.100 0.027 0.000 0.862 308 G HN 1.116 nan 8.290 nan 0.000 0.540 309 R N -0.811 119.730 120.500 0.069 0.000 2.539 309 R HA 0.419 4.759 4.340 -0.000 0.000 0.275 309 R C 0.619 176.997 176.300 0.131 0.000 1.077 309 R CA -0.447 55.712 56.100 0.097 0.000 1.097 309 R CB 0.650 31.052 30.300 0.170 0.000 1.018 309 R HN 0.460 nan 8.270 nan 0.000 0.483 310 I N 1.777 122.440 120.570 0.155 0.000 2.529 310 I HA 0.018 4.187 4.170 -0.000 0.000 0.284 310 I C 0.514 176.833 176.117 0.337 0.000 1.082 310 I CA -0.130 61.300 61.300 0.217 0.000 1.406 310 I CB 0.699 38.841 38.000 0.236 0.000 1.405 310 I HN 0.509 nan 8.210 nan 0.000 0.548 311 C N 5.090 124.537 119.300 0.245 0.000 2.352 311 C HA 0.219 4.679 4.460 -0.000 0.000 0.387 311 C C 1.928 176.803 174.990 -0.193 0.000 1.294 311 C CA -0.553 58.609 59.018 0.241 0.000 2.137 311 C CB 1.282 29.116 27.740 0.157 0.000 2.146 311 C HN 0.902 nan 8.230 nan 0.000 0.559 312 M N 0.976 120.260 119.600 -0.526 0.000 2.159 312 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 312 M C 0.778 176.776 176.300 -0.504 0.000 1.063 312 M CA 2.010 56.631 55.300 -1.131 0.000 1.110 312 M CB -0.129 32.117 32.600 -0.591 0.000 1.374 312 M HN 0.713 nan 8.290 nan 0.000 0.411 313 D N -1.162 119.102 120.400 -0.226 0.000 2.500 313 D HA 0.139 4.779 4.640 -0.000 0.000 0.218 313 D C -0.128 176.132 176.300 -0.066 0.000 1.140 313 D CA 0.146 54.074 54.000 -0.121 0.000 0.830 313 D CB 0.603 41.359 40.800 -0.073 0.000 1.055 313 D HN 0.484 nan 8.370 nan 0.000 0.512 314 Q N 0.270 120.044 119.800 -0.044 0.000 2.511 314 Q HA 0.636 4.976 4.340 -0.000 0.000 0.289 314 Q C -0.784 175.227 176.000 0.019 0.000 1.021 314 Q CA -1.007 54.788 55.803 -0.014 0.000 0.785 314 Q CB 2.966 31.698 28.738 -0.010 0.000 1.472 314 Q HN 0.231 nan 8.270 nan 0.000 0.411 315 C N -1.038 118.275 119.300 0.021 0.000 3.285 315 C HA 0.869 5.329 4.460 -0.000 0.000 0.325 315 C C -1.352 173.645 174.990 0.013 0.000 1.304 315 C CA -0.764 58.280 59.018 0.043 0.000 1.319 315 C CB 0.858 28.667 27.740 0.115 0.000 1.640 315 C HN 0.859 nan 8.230 nan 0.000 0.477 316 M N 2.668 122.265 119.600 -0.004 0.000 2.578 316 M HA 0.829 5.309 4.480 -0.000 0.000 0.321 316 M C -0.138 176.134 176.300 -0.048 0.000 1.182 316 M CA -0.821 54.462 55.300 -0.029 0.000 0.965 316 M CB 1.575 34.143 32.600 -0.054 0.000 1.694 316 M HN 0.833 nan 8.290 nan 0.000 0.461 317 I N -1.805 118.738 120.570 -0.044 0.000 2.865 317 I HA 0.684 4.854 4.170 -0.000 0.000 0.302 317 I C -0.748 175.344 176.117 -0.043 0.000 1.140 317 I CA -1.123 60.150 61.300 -0.044 0.000 1.021 317 I CB 2.235 40.227 38.000 -0.012 0.000 1.233 317 I HN 0.603 nan 8.210 nan 0.000 0.427 318 R N 4.140 124.615 120.500 -0.042 0.000 2.221 318 R HA 0.612 4.952 4.340 -0.000 0.000 0.327 318 R C -1.154 175.172 176.300 0.043 0.000 1.033 318 R CA -0.501 55.601 56.100 0.003 0.000 0.887 318 R CB 0.747 31.053 30.300 0.012 0.000 1.057 318 R HN 0.682 nan 8.270 nan 0.000 0.455 319 L N 6.428 127.701 121.223 0.085 0.000 2.421 319 L HA 0.364 4.704 4.340 -0.000 0.000 0.263 319 L C -1.356 175.567 176.870 0.089 0.000 1.122 319 L CA -2.099 52.788 54.840 0.079 0.000 0.804 319 L CB 0.995 43.107 42.059 0.088 0.000 1.150 319 L HN 0.538 nan 8.230 nan 0.000 0.457 320 P HA -0.021 nan 4.420 nan 0.000 0.217 320 P C 0.404 177.717 177.300 0.022 0.000 1.150 320 P CA 0.684 63.799 63.100 0.025 0.000 0.832 320 P CB 0.291 31.986 31.700 -0.008 0.000 0.787 321 G N -2.027 106.739 108.800 -0.056 0.000 2.570 321 G HA2 0.374 4.334 3.960 -0.000 0.000 0.310 321 G HA3 0.374 4.334 3.960 -0.000 0.000 0.310 321 G C -3.183 171.345 174.900 -0.621 0.000 1.266 321 G CA -0.681 44.270 45.100 -0.249 0.000 0.825 321 G HN -0.295 nan 8.290 nan 0.000 0.483 322 P HA 0.431 nan 4.420 nan 0.000 0.284 322 P C -0.634 176.340 177.300 -0.543 0.000 1.343 322 P CA -0.024 62.317 63.100 -1.265 0.000 0.826 322 P CB 0.862 31.530 31.700 -1.720 0.000 0.956 323 L N 6.424 127.455 121.223 -0.319 0.000 2.344 323 L HA 0.533 4.873 4.340 -0.000 0.000 0.272 323 L C -1.750 175.046 176.870 -0.124 0.000 1.035 323 L CA -2.424 52.312 54.840 -0.174 0.000 0.807 323 L CB 1.451 43.449 42.059 -0.101 0.000 1.237 323 L HN 0.224 nan 8.230 nan 0.000 0.442 324 P HA 0.079 nan 4.420 nan 0.000 0.275 324 P C -0.439 176.854 177.300 -0.010 0.000 1.228 324 P CA -0.279 62.794 63.100 -0.045 0.000 0.786 324 P CB 1.052 32.730 31.700 -0.037 0.000 0.927 325 V N 2.340 122.263 119.914 0.015 0.000 2.763 325 V HA 0.248 4.368 4.120 -0.000 0.000 0.306 325 V C 1.739 177.854 176.094 0.034 0.000 1.059 325 V CA 2.175 64.499 62.300 0.041 0.000 1.138 325 V CB -0.111 31.753 31.823 0.068 0.000 0.940 325 V HN 1.091 nan 8.190 nan 0.000 0.489 326 G N 3.460 112.287 108.800 0.045 0.000 2.195 326 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.224 326 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.224 326 G C 0.356 175.286 174.900 0.050 0.000 0.990 326 G CA 0.060 45.190 45.100 0.049 0.000 0.639 326 G HN 0.770 nan 8.290 nan 0.000 0.514 327 T N 2.173 116.747 114.554 0.033 0.000 2.928 327 T HA 0.343 4.693 4.350 -0.000 0.000 0.305 327 T C 0.548 175.274 174.700 0.043 0.000 1.035 327 T CA 0.429 62.544 62.100 0.025 0.000 1.145 327 T CB 1.215 70.084 68.868 0.001 0.000 0.963 327 T HN 0.350 nan 8.240 nan 0.000 0.545 328 K N 2.998 123.429 120.400 0.052 0.000 2.322 328 K HA 0.297 4.617 4.320 -0.000 0.000 0.283 328 K C -1.003 175.607 176.600 0.017 0.000 1.042 328 K CA -0.289 56.038 56.287 0.067 0.000 0.958 328 K CB 0.497 33.052 32.500 0.092 0.000 0.984 328 K HN 0.316 nan 8.250 nan 0.000 0.473 329 V N 3.677 123.579 119.914 -0.019 0.000 2.448 329 V HA 0.212 4.332 4.120 -0.000 0.000 0.295 329 V C -0.291 175.733 176.094 -0.116 0.000 1.025 329 V CA -0.757 61.503 62.300 -0.067 0.000 0.859 329 V CB 1.895 33.661 31.823 -0.096 0.000 0.988 329 V HN 0.787 nan 8.190 nan 0.000 0.431 330 T N 6.150 120.647 114.554 -0.095 0.000 2.767 330 T HA 0.494 4.844 4.350 -0.000 0.000 0.284 330 T C 0.700 175.258 174.700 -0.237 0.000 0.973 330 T CA -0.188 61.817 62.100 -0.158 0.000 0.996 330 T CB 1.497 70.344 68.868 -0.035 0.000 0.927 330 T HN 0.381 nan 8.240 nan 0.000 0.456 331 L N 3.194 124.186 121.223 -0.385 0.000 2.357 331 L HA 0.479 4.819 4.340 -0.000 0.000 0.211 331 L C 0.329 177.126 176.870 -0.122 0.000 1.075 331 L CA 0.785 55.421 54.840 -0.340 0.000 0.830 331 L CB 0.254 41.828 42.059 -0.807 0.000 0.996 331 L HN 0.552 nan 8.230 nan 0.000 0.467 332 I N -0.519 119.915 120.570 -0.227 0.000 2.534 332 I HA 0.607 4.777 4.170 -0.000 0.000 0.286 332 I C 0.051 176.054 176.117 -0.190 0.000 1.094 332 I CA -0.451 60.800 61.300 -0.082 0.000 1.055 332 I CB 1.642 39.654 38.000 0.020 0.000 1.225 332 I HN 0.145 nan 8.210 nan 0.000 0.435 333 G N 5.395 114.151 108.800 -0.073 0.000 2.278 333 G HA2 0.179 4.139 3.960 -0.000 0.000 0.265 333 G HA3 0.179 4.139 3.960 -0.000 0.000 0.265 333 G C -1.647 173.251 174.900 -0.002 0.000 1.329 333 G CA -0.886 44.185 45.100 -0.049 0.000 1.017 333 G HN 0.810 nan 8.290 nan 0.000 0.472 334 R N -0.573 119.941 120.500 0.023 0.000 2.795 334 R HA 0.819 5.159 4.340 -0.000 0.000 0.275 334 R C -1.091 175.224 176.300 0.026 0.000 0.981 334 R CA -0.776 55.338 56.100 0.023 0.000 0.917 334 R CB 1.843 32.156 30.300 0.022 0.000 1.202 334 R HN 0.564 nan 8.270 nan 0.000 0.469 335 Q N 1.734 121.545 119.800 0.018 0.000 2.275 335 Q HA 0.339 4.679 4.340 -0.000 0.000 0.266 335 Q C -0.134 175.871 176.000 0.008 0.000 1.002 335 Q CA -0.062 55.750 55.803 0.014 0.000 0.761 335 Q CB 2.185 30.930 28.738 0.012 0.000 1.255 335 Q HN 1.039 nan 8.270 nan 0.000 0.446 336 G N 3.434 112.237 108.800 0.004 0.000 2.634 336 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.318 336 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.318 336 G C 0.317 175.220 174.900 0.004 0.000 1.207 336 G CA 0.739 45.840 45.100 0.002 0.000 0.987 336 G HN 0.705 nan 8.290 nan 0.000 0.547 337 D N 1.734 122.136 120.400 0.004 0.000 2.366 337 D HA 0.161 4.801 4.640 -0.000 0.000 0.205 337 D C 0.859 177.165 176.300 0.010 0.000 1.022 337 D CA 0.382 54.385 54.000 0.005 0.000 0.868 337 D CB 0.224 41.025 40.800 0.002 0.000 0.953 337 D HN 0.435 nan 8.370 nan 0.000 0.514 338 E N 0.921 121.128 120.200 0.011 0.000 2.343 338 E HA 0.333 4.683 4.350 -0.000 0.000 0.269 338 E C -0.004 176.613 176.600 0.029 0.000 1.047 338 E CA -0.452 55.960 56.400 0.020 0.000 0.874 338 E CB 2.701 32.412 29.700 0.019 0.000 1.033 338 E HN -0.101 nan 8.360 nan 0.000 0.409 339 V N 1.405 121.345 119.914 0.043 0.000 3.048 339 V HA 0.571 4.691 4.120 -0.000 0.000 0.303 339 V C -1.454 174.683 176.094 0.073 0.000 1.214 339 V CA -0.714 61.615 62.300 0.047 0.000 0.984 339 V CB 1.957 33.805 31.823 0.042 0.000 1.054 339 V HN 0.585 nan 8.190 nan 0.000 0.430 340 I N 5.173 125.784 120.570 0.068 0.000 2.468 340 I HA 0.560 4.730 4.170 -0.000 0.000 0.285 340 I C 0.237 176.416 176.117 0.104 0.000 1.039 340 I CA -0.334 61.028 61.300 0.104 0.000 1.074 340 I CB 2.196 40.248 38.000 0.086 0.000 1.228 340 I HN 0.945 nan 8.210 nan 0.000 0.436 341 S N 5.373 121.144 115.700 0.118 0.000 2.730 341 S HA 0.538 5.008 4.470 -0.000 0.000 0.284 341 S C 0.995 175.655 174.600 0.100 0.000 1.153 341 S CA -0.719 57.540 58.200 0.098 0.000 0.995 341 S CB 1.770 65.019 63.200 0.082 0.000 1.058 341 S HN 0.566 nan 8.310 nan 0.000 0.552 342 I N 0.656 121.273 120.570 0.078 0.000 2.394 342 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 342 I C 1.542 177.672 176.117 0.022 0.000 1.136 342 I CA 1.165 62.491 61.300 0.043 0.000 1.425 342 I CB -0.358 37.654 38.000 0.020 0.000 1.079 342 I HN 0.635 nan 8.210 nan 0.000 0.425 343 D N 0.759 121.183 120.400 0.039 0.000 2.218 343 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 343 D C 1.715 178.045 176.300 0.051 0.000 0.976 343 D CA 1.083 55.104 54.000 0.035 0.000 0.853 343 D CB -0.239 40.586 40.800 0.041 0.000 0.939 343 D HN 0.314 nan 8.370 nan 0.000 0.481 344 D N -0.289 120.166 120.400 0.092 0.000 2.123 344 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 344 D C 2.271 178.606 176.300 0.058 0.000 0.976 344 D CA 0.367 54.467 54.000 0.167 0.000 0.831 344 D CB -0.078 40.897 40.800 0.292 0.000 0.974 344 D HN 0.079 nan 8.370 nan 0.000 0.469 345 V N 1.504 121.370 119.914 -0.080 0.000 2.358 345 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 345 V C 2.537 178.461 176.094 -0.283 0.000 1.047 345 V CA 1.647 63.699 62.300 -0.413 0.000 1.035 345 V CB -0.744 30.905 31.823 -0.290 0.000 0.658 345 V HN 0.153 nan 8.190 nan 0.000 0.452 346 A N 0.069 122.809 122.820 -0.133 0.000 1.902 346 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 346 A C 2.422 179.964 177.584 -0.070 0.000 1.181 346 A CA 2.046 54.026 52.037 -0.094 0.000 0.623 346 A CB -0.574 18.402 19.000 -0.041 0.000 0.818 346 A HN 0.471 nan 8.150 nan 0.000 0.443 347 R N -1.435 119.049 120.500 -0.027 0.000 2.073 347 R HA -0.228 4.112 4.340 -0.000 0.000 0.234 347 R C 2.163 178.461 176.300 -0.004 0.000 1.134 347 R CA 2.070 58.174 56.100 0.006 0.000 0.952 347 R CB -0.467 29.869 30.300 0.060 0.000 0.850 347 R HN 0.751 nan 8.270 nan 0.000 0.433 348 H N -0.121 118.879 119.070 -0.116 0.000 2.389 348 H HA 0.012 4.567 4.556 -0.000 0.000 0.299 348 H C 1.741 176.963 175.328 -0.176 0.000 1.081 348 H CA 1.502 57.472 56.048 -0.130 0.000 1.345 348 H CB 0.060 29.667 29.762 -0.258 0.000 1.393 348 H HN 0.164 nan 8.280 nan 0.000 0.520 349 L N 0.073 121.217 121.223 -0.133 0.000 2.554 349 L HA 0.009 4.349 4.340 -0.000 0.000 0.226 349 L C 0.308 177.097 176.870 -0.135 0.000 1.137 349 L CA 0.569 55.312 54.840 -0.162 0.000 0.863 349 L CB 0.026 41.968 42.059 -0.194 0.000 0.985 349 L HN 0.387 nan 8.230 nan 0.000 0.451 350 E N 0.097 120.228 120.200 -0.115 0.000 2.340 350 E HA -0.213 4.137 4.350 -0.000 0.000 0.240 350 E C 0.197 176.753 176.600 -0.073 0.000 1.154 350 E CA 0.670 57.017 56.400 -0.088 0.000 0.717 350 E CB -0.818 28.825 29.700 -0.095 0.000 1.250 350 E HN 0.394 nan 8.360 nan 0.000 0.386 351 T N -1.370 113.143 114.554 -0.068 0.000 2.626 351 T HA 0.772 5.122 4.350 -0.000 0.000 0.279 351 T C -0.692 173.991 174.700 -0.029 0.000 0.983 351 T CA -0.417 61.650 62.100 -0.056 0.000 1.059 351 T CB 0.957 69.784 68.868 -0.069 0.000 1.396 351 T HN 0.310 nan 8.240 nan 0.000 0.519 352 I N 1.087 121.652 120.570 -0.007 0.000 2.707 352 I HA 0.541 4.711 4.170 -0.000 0.000 0.309 352 I C 1.270 177.431 176.117 0.074 0.000 1.001 352 I CA -1.091 60.241 61.300 0.053 0.000 1.129 352 I CB 1.627 39.684 38.000 0.094 0.000 1.308 352 I HN 0.749 nan 8.210 nan 0.000 0.466 353 N N 2.736 121.489 118.700 0.089 0.000 2.137 353 N HA -0.304 4.436 4.740 -0.000 0.000 0.190 353 N C 1.329 176.851 175.510 0.020 0.000 1.017 353 N CA 1.799 54.863 53.050 0.024 0.000 0.859 353 N CB -1.057 37.422 38.487 -0.013 0.000 1.002 353 N HN 0.790 nan 8.380 nan 0.000 0.428 354 Y N 0.798 121.054 120.300 -0.075 0.000 2.102 354 Y HA -0.233 4.317 4.550 -0.000 0.000 0.280 354 Y C 2.676 178.463 175.900 -0.190 0.000 1.178 354 Y CA 1.961 59.978 58.100 -0.138 0.000 1.146 354 Y CB -0.579 37.785 38.460 -0.159 0.000 0.968 354 Y HN 0.314 nan 8.280 nan 0.000 0.504 355 E N -0.119 120.101 120.200 0.035 0.000 2.204 355 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 355 E C 2.020 178.563 176.600 -0.094 0.000 0.989 355 E CA 0.954 57.322 56.400 -0.053 0.000 0.824 355 E CB -0.037 29.630 29.700 -0.054 0.000 0.756 355 E HN 0.281 nan 8.360 nan 0.000 0.477 356 V N 2.008 121.858 119.914 -0.107 0.000 2.244 356 V HA -0.155 3.965 4.120 -0.000 0.000 0.244 356 V C -0.744 175.217 176.094 -0.221 0.000 1.042 356 V CA 2.101 64.316 62.300 -0.142 0.000 1.006 356 V CB -1.425 30.320 31.823 -0.130 0.000 0.641 356 V HN 0.371 nan 8.190 nan 0.000 0.446 357 P HA -0.071 nan 4.420 nan 0.000 0.221 357 P C 1.688 178.773 177.300 -0.360 0.000 1.150 357 P CA 1.243 63.959 63.100 -0.640 0.000 0.800 357 P CB -0.253 30.892 31.700 -0.925 0.000 0.787 358 C N -0.556 118.617 119.300 -0.212 0.000 2.435 358 C HA -0.033 4.427 4.460 -0.000 0.000 0.279 358 C C 2.620 177.572 174.990 -0.064 0.000 1.321 358 C CA 1.552 60.502 59.018 -0.114 0.000 1.752 358 C CB -1.909 25.764 27.740 -0.112 0.000 1.959 358 C HN 0.299 nan 8.230 nan 0.000 0.500 359 T N 0.737 115.246 114.554 -0.075 0.000 3.067 359 T HA 0.135 4.485 4.350 -0.000 0.000 0.261 359 T C 0.654 175.358 174.700 0.006 0.000 1.110 359 T CA 0.453 62.538 62.100 -0.024 0.000 1.113 359 T CB -0.117 68.732 68.868 -0.033 0.000 0.917 359 T HN 0.210 nan 8.240 nan 0.000 0.499 360 I N 4.196 124.756 120.570 -0.017 0.000 2.581 360 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 360 I C 1.260 177.395 176.117 0.031 0.000 1.129 360 I CA -0.223 61.099 61.300 0.035 0.000 1.397 360 I CB -0.666 37.381 38.000 0.079 0.000 1.399 360 I HN 0.248 nan 8.210 nan 0.000 0.537 361 S N 7.197 122.904 115.700 0.012 0.000 2.617 361 S HA 0.038 4.508 4.470 -0.000 0.000 0.259 361 S C 1.308 175.867 174.600 -0.068 0.000 1.301 361 S CA -0.230 57.968 58.200 -0.003 0.000 0.984 361 S CB 0.333 63.499 63.200 -0.058 0.000 0.954 361 S HN 0.576 nan 8.310 nan 0.000 0.572 362 Y N -0.149 120.182 120.300 0.052 0.000 2.483 362 Y HA 0.102 4.652 4.550 -0.000 0.000 0.291 362 Y C 2.095 178.021 175.900 0.044 0.000 1.143 362 Y CA 0.789 58.921 58.100 0.054 0.000 1.289 362 Y CB -0.476 38.019 38.460 0.057 0.000 0.983 362 Y HN 0.503 nan 8.280 nan 0.000 0.556 363 R N 0.583 120.456 120.500 -1.046 0.000 2.235 363 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 363 R C -0.195 175.939 176.300 -0.278 0.000 1.059 363 R CA 0.582 56.281 56.100 -0.669 0.000 0.997 363 R CB -0.033 29.900 30.300 -0.612 0.000 0.884 363 R HN 0.194 nan 8.270 nan 0.000 0.462 364 V N 4.689 124.474 119.914 -0.215 0.000 2.348 364 V HA 0.168 4.288 4.120 -0.000 0.000 0.270 364 V C -2.010 173.999 176.094 -0.142 0.000 1.037 364 V CA -1.947 60.258 62.300 -0.159 0.000 0.872 364 V CB 1.138 32.888 31.823 -0.121 0.000 1.002 364 V HN 0.039 nan 8.190 nan 0.000 0.464 365 P HA 0.242 nan 4.420 nan 0.000 0.269 365 P C -0.600 176.577 177.300 -0.205 0.000 1.209 365 P CA -0.439 62.524 63.100 -0.228 0.000 0.776 365 P CB 0.822 32.221 31.700 -0.502 0.000 0.876 366 R N 2.038 122.454 120.500 -0.140 0.000 2.387 366 R HA 0.541 4.881 4.340 -0.000 0.000 0.314 366 R C -0.244 175.832 176.300 -0.374 0.000 0.958 366 R CA -0.481 55.443 56.100 -0.294 0.000 0.846 366 R CB 0.511 30.625 30.300 -0.311 0.000 1.147 366 R HN 0.463 nan 8.270 nan 0.000 0.447 367 I N 4.581 124.935 120.570 -0.360 0.000 2.354 367 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 367 I C -0.603 175.268 176.117 -0.410 0.000 0.989 367 I CA -0.579 60.584 61.300 -0.229 0.000 1.188 367 I CB 0.936 38.928 38.000 -0.013 0.000 1.342 367 I HN 0.378 nan 8.210 nan 0.000 0.457 368 F N 5.667 125.576 119.950 -0.068 0.000 2.421 368 F HA 0.505 5.032 4.527 -0.000 0.000 0.337 368 F C -0.260 175.420 175.800 -0.200 0.000 1.105 368 F CA -0.477 57.514 58.000 -0.014 0.000 1.049 368 F CB 1.089 40.097 39.000 0.013 0.000 1.139 368 F HN 0.167 nan 8.300 nan 0.000 0.479 369 F N 1.883 121.940 119.950 0.178 0.000 2.508 369 F HA 0.750 5.276 4.527 -0.000 0.000 0.325 369 F C -0.175 175.667 175.800 0.071 0.000 1.090 369 F CA -0.866 57.195 58.000 0.102 0.000 0.945 369 F CB 2.150 41.188 39.000 0.063 0.000 1.156 369 F HN 0.298 nan 8.300 nan 0.000 0.463 370 R N 0.593 121.192 120.500 0.166 0.000 2.566 370 R HA 0.389 4.729 4.340 -0.000 0.000 0.271 370 R C -1.036 175.246 176.300 -0.029 0.000 1.071 370 R CA -0.918 55.158 56.100 -0.040 0.000 0.915 370 R CB 0.372 30.593 30.300 -0.131 0.000 1.228 370 R HN 0.748 nan 8.270 nan 0.000 0.449 371 H N 4.010 123.106 119.070 0.043 0.000 2.820 371 H HA -0.177 4.379 4.556 -0.000 0.000 0.295 371 H C -0.373 174.988 175.328 0.056 0.000 1.187 371 H CA 1.066 57.124 56.048 0.017 0.000 1.144 371 H CB -0.510 29.248 29.762 -0.008 0.000 1.354 371 H HN 0.674 nan 8.280 nan 0.000 0.395 372 K N -2.098 118.402 120.400 0.166 0.000 3.281 372 K HA -0.202 4.118 4.320 -0.000 0.000 0.295 372 K C -0.132 176.608 176.600 0.234 0.000 1.233 372 K CA 1.463 57.853 56.287 0.173 0.000 0.866 372 K CB -1.195 31.372 32.500 0.111 0.000 1.265 372 K HN 0.655 nan 8.250 nan 0.000 0.482 373 R N -0.154 120.496 120.500 0.251 0.000 2.771 373 R HA 0.503 4.843 4.340 -0.000 0.000 0.274 373 R C 0.193 176.518 176.300 0.041 0.000 0.987 373 R CA -1.128 55.080 56.100 0.180 0.000 0.908 373 R CB 0.649 31.009 30.300 0.101 0.000 1.213 373 R HN -0.055 nan 8.270 nan 0.000 0.468 374 I N 2.324 122.794 120.570 -0.168 0.000 2.581 374 I HA -0.033 4.137 4.170 -0.000 0.000 0.285 374 I C 1.864 177.854 176.117 -0.212 0.000 1.129 374 I CA 0.361 61.362 61.300 -0.498 0.000 1.397 374 I CB 0.521 38.258 38.000 -0.439 0.000 1.399 374 I HN 0.549 nan 8.210 nan 0.000 0.537 375 M N 5.745 125.248 119.600 -0.162 0.000 2.257 375 M HA 0.096 4.576 4.480 -0.000 0.000 0.260 375 M C 0.481 176.770 176.300 -0.018 0.000 1.102 375 M CA 1.394 56.672 55.300 -0.037 0.000 1.169 375 M CB 0.398 33.010 32.600 0.020 0.000 1.323 375 M HN 0.733 nan 8.290 nan 0.000 0.447 376 E N -1.070 119.155 120.200 0.042 0.000 2.437 376 E HA 0.484 4.834 4.350 -0.000 0.000 0.280 376 E C -1.544 175.174 176.600 0.196 0.000 1.044 376 E CA -1.024 55.426 56.400 0.083 0.000 0.826 376 E CB 2.066 31.799 29.700 0.054 0.000 1.358 376 E HN 0.031 nan 8.360 nan 0.000 0.459 377 V N 0.701 120.714 119.914 0.166 0.000 2.604 377 V HA 0.557 4.676 4.120 -0.000 0.000 0.305 377 V C -0.484 175.746 176.094 0.227 0.000 1.043 377 V CA -0.764 61.646 62.300 0.184 0.000 0.888 377 V CB 1.676 33.588 31.823 0.149 0.000 0.995 377 V HN 0.667 nan 8.190 nan 0.000 0.429 378 R N 3.561 124.213 120.500 0.254 0.000 2.412 378 R HA 0.395 4.735 4.340 -0.000 0.000 0.304 378 R C -0.972 175.416 176.300 0.147 0.000 1.066 378 R CA -0.429 55.818 56.100 0.244 0.000 0.923 378 R CB 0.671 31.227 30.300 0.426 0.000 1.156 378 R HN 0.725 nan 8.270 nan 0.000 0.513 379 N N 3.291 122.069 118.700 0.130 0.000 2.501 379 N HA 0.214 4.954 4.740 -0.000 0.000 0.245 379 N C 0.558 176.143 175.510 0.125 0.000 0.974 379 N CA -0.058 53.055 53.050 0.105 0.000 0.941 379 N CB 1.799 40.367 38.487 0.135 0.000 1.122 379 N HN 0.644 nan 8.380 nan 0.000 0.507 380 A N 4.123 127.026 122.820 0.138 0.000 1.873 380 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 380 A C 1.612 179.306 177.584 0.184 0.000 1.193 380 A CA 1.576 53.719 52.037 0.178 0.000 0.629 380 A CB -0.801 18.353 19.000 0.255 0.000 0.826 380 A HN 0.822 nan 8.150 nan 0.000 0.447 381 I N -1.991 118.703 120.570 0.207 0.000 3.764 381 I HA 0.388 4.558 4.170 -0.000 0.000 0.312 381 I C 0.851 177.057 176.117 0.149 0.000 1.340 381 I CA -0.189 61.227 61.300 0.193 0.000 1.195 381 I CB -0.993 37.151 38.000 0.240 0.000 1.068 381 I HN 0.127 nan 8.210 nan 0.000 0.421 382 G N 1.129 110.010 108.800 0.135 0.000 2.553 382 G HA2 0.572 4.532 3.960 -0.000 0.000 0.278 382 G HA3 0.572 4.532 3.960 -0.000 0.000 0.278 382 G C 0.332 175.295 174.900 0.106 0.000 1.349 382 G CA -0.051 45.125 45.100 0.127 0.000 1.037 382 G HN 0.624 nan 8.290 nan 0.000 0.508 383 R N 0.000 120.558 120.500 0.097 0.000 2.786 383 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 383 R CA 0.000 56.146 56.100 0.076 0.000 0.921 383 R CB 0.000 30.343 30.300 0.071 0.000 0.687 383 R HN 0.000 nan 8.270 nan 0.000 0.535