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 2qjj_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKITAARVII TCPGRNFVTL KIETDQGVYG IGDATLNGRE LSVVAYLQEH DATA SEQUENCE VAPCLIGMDP RRIEDIWQYV YRGAYWRRGP VTMRAIAAVD MALWDIKAKM DATA SEQUENCE AGMPLYQLLG GRSRDGIMVY GHANGSDIAE TVEAVGHYID MGYKAIRAQT DATA SEQUENCE GVPGIKDAYG VGRGKLYYEP ADASLPSVTG WDTRKALNYV PKLFEELRKT DATA SEQUENCE YGFDHHLLHD GHHRYTPQEA ANLGKMLEPY QLFWLEDCTP AENQEAFRLV DATA SEQUENCE RQHTVTPLAV GEIFNTIWDA KDLIQNQLID YIRATVVGAG GLTHLRRIAD DATA SEQUENCE LASLYQVRTG CHGATDLSPV TMGCALHFDT WVPNFGIQEY MRHTEETDAV DATA SEQUENCE FPHDYWFEKG ELFVGETPGH GVDIDEELAA KYPYKPAYLP VARLEDGTMW DATA SEQUENCE NW 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.021 0.000 1.140 1 M CA 0.000 55.289 55.300 -0.019 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.019 0.000 1.302 2 K N 1.039 121.430 120.400 -0.016 0.000 2.482 2 K HA 0.725 5.045 4.320 -0.000 0.000 0.257 2 K C -1.396 175.198 176.600 -0.010 0.000 0.969 2 K CA -0.810 55.466 56.287 -0.018 0.000 0.842 2 K CB 3.113 35.603 32.500 -0.017 0.000 1.359 2 K HN 0.648 nan 8.250 nan 0.000 0.441 3 I N 2.079 122.641 120.570 -0.013 0.000 2.471 3 I HA -0.019 4.150 4.170 -0.000 0.000 0.286 3 I C 1.347 177.465 176.117 0.002 0.000 1.079 3 I CA 0.197 61.496 61.300 -0.001 0.000 1.398 3 I CB 1.098 39.096 38.000 -0.004 0.000 1.403 3 I HN 0.857 nan 8.210 nan 0.000 0.530 4 T N 1.995 116.556 114.554 0.012 0.000 3.015 4 T HA 0.486 4.836 4.350 -0.000 0.000 0.250 4 T C 0.410 175.116 174.700 0.010 0.000 1.057 4 T CA 0.042 62.148 62.100 0.009 0.000 1.066 4 T CB 0.487 69.363 68.868 0.013 0.000 0.959 4 T HN 0.655 nan 8.240 nan 0.000 0.488 5 A N 0.107 122.937 122.820 0.017 0.000 2.605 5 A HA 0.816 5.135 4.320 -0.000 0.000 0.294 5 A C -1.480 176.121 177.584 0.027 0.000 1.062 5 A CA -0.586 51.461 52.037 0.016 0.000 0.682 5 A CB 0.892 19.898 19.000 0.010 0.000 1.278 5 A HN 0.940 nan 8.150 nan 0.000 0.410 6 A N 1.890 124.728 122.820 0.029 0.000 2.815 6 A HA 0.650 4.970 4.320 -0.000 0.000 0.318 6 A C -0.282 177.325 177.584 0.040 0.000 1.186 6 A CA -0.433 51.630 52.037 0.044 0.000 0.754 6 A CB 0.405 19.436 19.000 0.051 0.000 1.151 6 A HN 0.697 nan 8.150 nan 0.000 0.452 7 R N 0.743 121.264 120.500 0.035 0.000 2.428 7 R HA 0.584 4.924 4.340 -0.000 0.000 0.294 7 R C -0.770 175.557 176.300 0.046 0.000 1.000 7 R CA -0.616 55.502 56.100 0.029 0.000 0.960 7 R CB 1.995 32.301 30.300 0.010 0.000 1.076 7 R HN 0.353 nan 8.270 nan 0.000 0.475 8 V N 5.068 125.008 119.914 0.043 0.000 2.394 8 V HA 0.369 4.489 4.120 -0.000 0.000 0.282 8 V C 0.154 176.281 176.094 0.055 0.000 1.031 8 V CA -0.473 61.862 62.300 0.058 0.000 0.881 8 V CB 1.293 33.147 31.823 0.051 0.000 0.982 8 V HN 0.587 nan 8.190 nan 0.000 0.451 9 I N 5.987 126.606 120.570 0.081 0.000 2.433 9 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 9 I C -0.555 175.636 176.117 0.123 0.000 1.001 9 I CA -0.361 60.990 61.300 0.085 0.000 1.119 9 I CB 1.828 39.878 38.000 0.083 0.000 1.289 9 I HN 0.418 nan 8.210 nan 0.000 0.438 10 I N 4.805 125.441 120.570 0.109 0.000 2.433 10 I HA 0.543 4.713 4.170 -0.000 0.000 0.292 10 I C -0.108 176.120 176.117 0.186 0.000 1.001 10 I CA -0.331 61.058 61.300 0.148 0.000 1.119 10 I CB 2.172 40.218 38.000 0.077 0.000 1.289 10 I HN 0.500 nan 8.210 nan 0.000 0.438 11 T N 3.942 118.649 114.554 0.254 0.000 2.853 11 T HA 0.331 4.681 4.350 -0.000 0.000 0.311 11 T C -1.632 173.222 174.700 0.256 0.000 1.307 11 T CA -0.380 61.871 62.100 0.253 0.000 1.019 11 T CB 1.660 70.659 68.868 0.218 0.000 1.264 11 T HN 0.721 nan 8.240 nan 0.000 0.497 12 C N 6.300 125.727 119.300 0.211 0.000 3.414 12 C HA 0.547 5.006 4.460 -0.000 0.000 0.208 12 C C -2.363 172.643 174.990 0.026 0.000 1.422 12 C CA -1.495 57.574 59.018 0.086 0.000 1.437 12 C CB -0.009 27.740 27.740 0.015 0.000 1.850 12 C HN 0.642 nan 8.230 nan 0.000 0.481 13 P HA 0.302 nan 4.420 nan 0.000 0.220 13 P C 0.913 178.092 177.300 -0.202 0.000 1.806 13 P CA 1.357 64.154 63.100 -0.505 0.000 0.976 13 P CB -0.171 31.178 31.700 -0.585 0.000 1.952 14 G N 1.409 110.136 108.800 -0.122 0.000 2.391 14 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.204 14 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.204 14 G C 0.095 174.927 174.900 -0.114 0.000 1.012 14 G CA -0.028 45.022 45.100 -0.084 0.000 0.651 14 G HN 0.718 nan 8.290 nan 0.000 0.494 15 R N -0.741 119.651 120.500 -0.180 0.000 2.741 15 R HA 0.554 4.894 4.340 -0.000 0.000 0.276 15 R C -1.362 174.650 176.300 -0.481 0.000 1.028 15 R CA -0.915 54.994 56.100 -0.319 0.000 0.865 15 R CB -0.084 29.998 30.300 -0.363 0.000 1.268 15 R HN 0.029 nan 8.270 nan 0.000 0.475 16 N N 0.488 118.920 118.700 -0.447 0.000 2.513 16 N HA 0.299 5.039 4.740 -0.000 0.000 0.268 16 N C -1.217 173.991 175.510 -0.504 0.000 1.180 16 N CA 0.468 53.336 53.050 -0.303 0.000 0.948 16 N CB 0.285 38.713 38.487 -0.098 0.000 1.083 16 N HN 0.283 nan 8.380 nan 0.000 0.455 17 F N 0.056 120.103 119.950 0.160 0.000 2.581 17 F HA 0.359 4.886 4.527 -0.000 0.000 0.311 17 F C -0.179 175.731 175.800 0.183 0.000 1.113 17 F CA -0.863 57.230 58.000 0.155 0.000 0.935 17 F CB 1.457 40.585 39.000 0.213 0.000 1.232 17 F HN -0.012 nan 8.300 nan 0.000 0.445 18 V N 2.196 122.313 119.914 0.338 0.000 2.495 18 V HA 0.722 4.842 4.120 -0.000 0.000 0.298 18 V C -0.456 175.769 176.094 0.219 0.000 1.031 18 V CA -0.499 61.941 62.300 0.233 0.000 0.871 18 V CB 2.050 33.963 31.823 0.150 0.000 0.988 18 V HN 0.831 nan 8.190 nan 0.000 0.432 19 T N 5.398 120.082 114.554 0.215 0.000 2.876 19 T HA 0.637 4.987 4.350 -0.000 0.000 0.289 19 T C -0.987 173.808 174.700 0.158 0.000 1.014 19 T CA -0.418 61.804 62.100 0.203 0.000 0.986 19 T CB 1.874 70.922 68.868 0.300 0.000 1.021 19 T HN 0.434 nan 8.240 nan 0.000 0.458 20 L N 2.638 123.950 121.223 0.149 0.000 2.307 20 L HA 0.685 5.024 4.340 -0.000 0.000 0.284 20 L C -0.415 176.538 176.870 0.138 0.000 1.023 20 L CA -0.393 54.525 54.840 0.129 0.000 0.810 20 L CB 1.130 43.266 42.059 0.128 0.000 1.231 20 L HN 0.555 nan 8.230 nan 0.000 0.423 21 K N 6.012 126.475 120.400 0.105 0.000 2.483 21 K HA 0.521 4.841 4.320 -0.000 0.000 0.256 21 K C -1.372 175.280 176.600 0.086 0.000 0.961 21 K CA -0.446 55.899 56.287 0.097 0.000 0.873 21 K CB 0.855 33.367 32.500 0.020 0.000 1.107 21 K HN 0.681 nan 8.250 nan 0.000 0.432 22 I N 4.261 124.904 120.570 0.122 0.000 2.304 22 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 22 I C -0.064 176.128 176.117 0.124 0.000 1.018 22 I CA -0.458 60.903 61.300 0.102 0.000 1.260 22 I CB 1.375 39.432 38.000 0.096 0.000 1.390 22 I HN 0.567 nan 8.210 nan 0.000 0.475 23 E N 4.340 124.593 120.200 0.088 0.000 2.214 23 E HA 0.501 4.851 4.350 -0.000 0.000 0.274 23 E C -0.346 176.295 176.600 0.070 0.000 0.977 23 E CA -0.654 55.806 56.400 0.100 0.000 0.827 23 E CB 2.086 31.819 29.700 0.055 0.000 1.130 23 E HN 0.630 nan 8.360 nan 0.000 0.394 24 T N -2.092 112.506 114.554 0.073 0.000 2.907 24 T HA 0.185 4.535 4.350 -0.000 0.000 0.290 24 T C 0.339 175.059 174.700 0.032 0.000 1.066 24 T CA -0.863 61.261 62.100 0.039 0.000 1.012 24 T CB 1.223 70.107 68.868 0.026 0.000 1.184 24 T HN 0.468 nan 8.240 nan 0.000 0.522 25 D N -0.638 119.772 120.400 0.017 0.000 2.349 25 D HA 0.015 4.654 4.640 -0.000 0.000 0.224 25 D C 1.360 177.667 176.300 0.012 0.000 1.029 25 D CA 0.299 54.306 54.000 0.013 0.000 0.879 25 D CB 0.089 40.892 40.800 0.005 0.000 0.906 25 D HN 0.491 nan 8.370 nan 0.000 0.528 26 Q N -0.289 119.518 119.800 0.012 0.000 2.396 26 Q HA 0.288 4.627 4.340 -0.000 0.000 0.209 26 Q C 1.441 177.448 176.000 0.013 0.000 0.906 26 Q CA 1.191 56.998 55.803 0.006 0.000 0.927 26 Q CB 0.430 29.165 28.738 -0.005 0.000 1.069 26 Q HN 0.335 nan 8.270 nan 0.000 0.523 27 G N -0.696 108.123 108.800 0.032 0.000 2.493 27 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.206 27 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.206 27 G C -0.068 174.874 174.900 0.070 0.000 1.109 27 G CA -0.083 45.048 45.100 0.052 0.000 0.689 27 G HN 0.384 nan 8.290 nan 0.000 0.516 28 V N 2.872 122.792 119.914 0.010 0.000 2.872 28 V HA 0.538 4.658 4.120 -0.000 0.000 0.307 28 V C 0.268 176.377 176.094 0.025 0.000 1.072 28 V CA 0.689 62.953 62.300 -0.060 0.000 1.148 28 V CB 0.321 32.093 31.823 -0.085 0.000 0.954 28 V HN 1.265 nan 8.190 nan 0.000 0.490 29 Y N 3.556 123.857 120.300 0.001 0.000 2.638 29 Y HA 0.948 5.498 4.550 -0.000 0.000 0.339 29 Y C -0.109 175.796 175.900 0.009 0.000 1.084 29 Y CA -0.948 57.158 58.100 0.011 0.000 1.068 29 Y CB 1.562 40.036 38.460 0.024 0.000 1.294 29 Y HN 0.829 nan 8.280 nan 0.000 0.480 30 G N 0.930 109.909 108.800 0.298 0.000 2.660 30 G HA2 0.656 4.616 3.960 -0.000 0.000 0.294 30 G HA3 0.656 4.616 3.960 -0.000 0.000 0.294 30 G C -1.749 173.325 174.900 0.290 0.000 1.369 30 G CA -1.049 44.170 45.100 0.198 0.000 0.912 30 G HN 1.145 nan 8.290 nan 0.000 0.479 31 I N -1.319 119.446 120.570 0.324 0.000 2.785 31 I HA 0.985 5.155 4.170 -0.000 0.000 0.302 31 I C -0.020 176.320 176.117 0.371 0.000 1.069 31 I CA -1.290 60.212 61.300 0.336 0.000 1.045 31 I CB 2.654 40.867 38.000 0.354 0.000 1.236 31 I HN 0.784 nan 8.210 nan 0.000 0.429 32 G N 1.870 110.819 108.800 0.248 0.000 2.667 32 G HA2 0.408 4.367 3.960 -0.000 0.000 0.298 32 G HA3 0.408 4.367 3.960 -0.000 0.000 0.298 32 G C -2.140 172.833 174.900 0.121 0.000 1.377 32 G CA -0.427 44.786 45.100 0.189 0.000 0.964 32 G HN 0.726 nan 8.290 nan 0.000 0.493 33 D N 0.144 120.580 120.400 0.059 0.000 2.302 33 D HA 0.558 5.198 4.640 -0.000 0.000 0.248 33 D C 0.686 177.033 176.300 0.079 0.000 1.094 33 D CA 0.245 54.264 54.000 0.032 0.000 0.897 33 D CB 1.696 42.470 40.800 -0.044 0.000 1.200 33 D HN 0.508 nan 8.370 nan 0.000 0.429 34 A N 2.505 125.385 122.820 0.099 0.000 2.635 34 A HA 0.195 4.515 4.320 -0.000 0.000 0.279 34 A C 0.422 178.069 177.584 0.105 0.000 1.122 34 A CA -0.365 51.731 52.037 0.098 0.000 0.965 34 A CB -0.064 18.998 19.000 0.102 0.000 1.221 34 A HN 0.469 nan 8.150 nan 0.000 0.566 35 T N 1.204 115.838 114.554 0.133 0.000 2.829 35 T HA 0.332 4.682 4.350 -0.000 0.000 0.293 35 T C -0.484 174.287 174.700 0.117 0.000 0.970 35 T CA 0.722 62.913 62.100 0.151 0.000 1.168 35 T CB 0.576 69.591 68.868 0.244 0.000 0.911 35 T HN 0.294 nan 8.240 nan 0.000 0.535 36 L N 5.052 126.329 121.223 0.091 0.000 2.366 36 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 36 L C -0.176 176.732 176.870 0.063 0.000 1.010 36 L CA -0.739 54.147 54.840 0.076 0.000 0.879 36 L CB 0.806 42.897 42.059 0.053 0.000 1.228 36 L HN 0.423 nan 8.230 nan 0.000 0.439 37 N N 3.414 122.158 118.700 0.072 0.000 2.301 37 N HA 0.239 4.979 4.740 -0.000 0.000 0.267 37 N C 1.315 176.836 175.510 0.019 0.000 1.304 37 N CA 1.778 54.851 53.050 0.040 0.000 0.851 37 N CB 0.557 39.091 38.487 0.078 0.000 1.070 37 N HN 0.904 nan 8.380 nan 0.000 0.483 38 G N 3.502 112.276 108.800 -0.043 0.000 2.199 38 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 38 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 38 G C 0.544 175.403 174.900 -0.068 0.000 0.982 38 G CA 0.141 45.189 45.100 -0.087 0.000 0.632 38 G HN 0.616 nan 8.290 nan 0.000 0.529 39 R N -0.323 120.171 120.500 -0.011 0.000 2.582 39 R HA 0.281 4.621 4.340 -0.000 0.000 0.453 39 R C 1.202 177.516 176.300 0.024 0.000 0.969 39 R CA 0.351 56.459 56.100 0.014 0.000 1.113 39 R CB 0.151 30.473 30.300 0.036 0.000 1.507 39 R HN 0.389 nan 8.270 nan 0.000 0.587 40 E N 0.959 121.180 120.200 0.034 0.000 2.086 40 E HA -0.154 4.196 4.350 -0.000 0.000 0.200 40 E C 1.576 178.176 176.600 0.001 0.000 1.012 40 E CA 1.365 57.794 56.400 0.049 0.000 0.812 40 E CB -0.100 29.674 29.700 0.124 0.000 0.743 40 E HN 0.234 nan 8.360 nan 0.000 0.453 41 L N 0.856 122.047 121.223 -0.052 0.000 2.376 41 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 41 L C 2.290 179.152 176.870 -0.013 0.000 1.133 41 L CA 0.994 55.775 54.840 -0.097 0.000 0.816 41 L CB -0.634 41.320 42.059 -0.175 0.000 0.933 41 L HN 0.217 nan 8.230 nan 0.000 0.449 42 S N -0.671 115.043 115.700 0.022 0.000 2.383 42 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 42 S C 1.850 176.514 174.600 0.106 0.000 1.026 42 S CA 0.886 59.124 58.200 0.064 0.000 0.981 42 S CB -0.575 62.660 63.200 0.059 0.000 0.818 42 S HN 0.186 nan 8.310 nan 0.000 0.472 43 V N 1.702 121.660 119.914 0.075 0.000 2.453 43 V HA -0.064 4.056 4.120 -0.000 0.000 0.247 43 V C 2.642 178.809 176.094 0.123 0.000 1.048 43 V CA 1.216 63.571 62.300 0.093 0.000 1.049 43 V CB -0.807 31.045 31.823 0.049 0.000 0.672 43 V HN 0.422 nan 8.190 nan 0.000 0.457 44 V N 0.691 120.646 119.914 0.068 0.000 2.287 44 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 44 V C 2.745 178.878 176.094 0.065 0.000 1.053 44 V CA 2.312 64.640 62.300 0.047 0.000 1.027 44 V CB -1.116 30.694 31.823 -0.022 0.000 0.646 44 V HN 0.566 nan 8.190 nan 0.000 0.447 45 A N -1.414 121.450 122.820 0.072 0.000 1.898 45 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 45 A C 2.148 179.821 177.584 0.148 0.000 1.181 45 A CA 1.893 53.973 52.037 0.071 0.000 0.620 45 A CB -0.818 18.225 19.000 0.071 0.000 0.819 45 A HN 0.611 nan 8.150 nan 0.000 0.442 46 Y N 0.275 120.641 120.300 0.111 0.000 2.151 46 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 46 Y C 2.052 178.038 175.900 0.143 0.000 1.166 46 Y CA 2.073 60.276 58.100 0.172 0.000 1.163 46 Y CB -0.127 38.391 38.460 0.097 0.000 0.974 46 Y HN 0.247 nan 8.280 nan 0.000 0.511 47 L N -0.682 120.719 121.223 0.297 0.000 2.034 47 L HA -0.196 4.143 4.340 -0.000 0.000 0.203 47 L C 2.596 179.518 176.870 0.087 0.000 1.074 47 L CA 1.606 56.565 54.840 0.198 0.000 0.748 47 L CB -0.689 41.468 42.059 0.162 0.000 0.905 47 L HN 0.182 nan 8.230 nan 0.000 0.439 48 Q N -0.212 119.616 119.800 0.046 0.000 2.084 48 Q HA -0.208 4.131 4.340 -0.000 0.000 0.202 48 Q C 1.912 177.863 176.000 -0.081 0.000 0.978 48 Q CA 1.510 57.307 55.803 -0.009 0.000 0.844 48 Q CB 0.265 28.995 28.738 -0.014 0.000 0.898 48 Q HN 0.372 nan 8.270 nan 0.000 0.426 49 E N -1.247 118.848 120.200 -0.175 0.000 2.318 49 E HA -0.046 4.303 4.350 -0.000 0.000 0.193 49 E C 1.351 177.581 176.600 -0.618 0.000 0.998 49 E CA 0.719 56.872 56.400 -0.411 0.000 0.859 49 E CB 0.319 29.678 29.700 -0.568 0.000 0.812 49 E HN 0.529 nan 8.360 nan 0.000 0.492 50 H N -0.979 118.045 119.070 -0.078 0.000 2.179 50 H HA 0.197 4.753 4.556 -0.000 0.000 0.246 50 H C 2.232 177.527 175.328 -0.055 0.000 0.904 50 H CA 0.407 56.386 56.048 -0.115 0.000 1.113 50 H CB 0.108 29.701 29.762 -0.280 0.000 1.396 50 H HN -0.111 nan 8.280 nan 0.000 0.484 51 V N 2.011 121.984 119.914 0.098 0.000 2.270 51 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 51 V C 2.858 179.021 176.094 0.114 0.000 1.043 51 V CA 1.810 64.192 62.300 0.137 0.000 1.014 51 V CB -1.048 30.899 31.823 0.208 0.000 0.645 51 V HN 0.442 nan 8.190 nan 0.000 0.447 52 A N 0.681 123.552 122.820 0.085 0.000 1.903 52 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 52 A C 0.582 178.191 177.584 0.042 0.000 1.191 52 A CA 2.483 54.556 52.037 0.060 0.000 0.638 52 A CB -2.074 16.951 19.000 0.043 0.000 0.823 52 A HN 0.535 nan 8.150 nan 0.000 0.451 53 P HA -0.106 nan 4.420 nan 0.000 0.218 53 P C 1.349 178.672 177.300 0.038 0.000 1.148 53 P CA 1.283 64.395 63.100 0.022 0.000 0.822 53 P CB -0.248 31.456 31.700 0.006 0.000 0.784 54 C N -1.803 117.541 119.300 0.074 0.000 2.464 54 C HA 0.036 4.495 4.460 -0.000 0.000 0.278 54 C C 2.567 177.560 174.990 0.005 0.000 1.375 54 C CA 0.384 59.461 59.018 0.097 0.000 1.761 54 C CB -1.692 26.207 27.740 0.265 0.000 1.944 54 C HN 0.206 nan 8.230 nan 0.000 0.509 55 L N 0.721 121.952 121.223 0.014 0.000 2.217 55 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 55 L C 0.761 177.610 176.870 -0.034 0.000 1.107 55 L CA 0.514 55.337 54.840 -0.027 0.000 0.783 55 L CB -0.536 41.533 42.059 0.016 0.000 0.919 55 L HN 0.232 nan 8.230 nan 0.000 0.442 56 I N 1.448 122.010 120.570 -0.014 0.000 2.821 56 I HA -0.037 4.133 4.170 -0.000 0.000 0.294 56 I C 1.525 177.625 176.117 -0.028 0.000 1.210 56 I CA 1.292 62.584 61.300 -0.014 0.000 1.430 56 I CB -0.630 37.367 38.000 -0.005 0.000 1.356 56 I HN 0.421 nan 8.210 nan 0.000 0.563 57 G N 5.553 114.336 108.800 -0.027 0.000 2.217 57 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 57 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 57 G C 0.446 175.316 174.900 -0.049 0.000 0.990 57 G CA -0.128 44.953 45.100 -0.032 0.000 0.627 57 G HN 0.493 nan 8.290 nan 0.000 0.522 58 M N 0.946 120.505 119.600 -0.068 0.000 2.226 58 M HA 0.313 4.793 4.480 -0.000 0.000 0.324 58 M C 0.122 176.384 176.300 -0.064 0.000 1.112 58 M CA -0.257 54.989 55.300 -0.091 0.000 1.176 58 M CB 0.427 32.942 32.600 -0.141 0.000 1.430 58 M HN 0.139 nan 8.290 nan 0.000 0.462 59 D N 3.425 123.786 120.400 -0.065 0.000 2.352 59 D HA 0.144 4.784 4.640 -0.000 0.000 0.245 59 D C -1.614 174.650 176.300 -0.060 0.000 1.224 59 D CA -2.035 51.933 54.000 -0.054 0.000 0.879 59 D CB 0.892 41.662 40.800 -0.050 0.000 1.057 59 D HN 0.241 nan 8.370 nan 0.000 0.491 60 P HA -0.116 nan 4.420 nan 0.000 0.225 60 P C 0.908 178.151 177.300 -0.095 0.000 1.148 60 P CA 0.592 63.656 63.100 -0.061 0.000 0.779 60 P CB 0.379 32.055 31.700 -0.040 0.000 0.780 61 R N 0.003 120.448 120.500 -0.093 0.000 2.189 61 R HA 0.052 4.391 4.340 -0.000 0.000 0.218 61 R C 1.322 177.537 176.300 -0.141 0.000 1.074 61 R CA 0.435 56.462 56.100 -0.120 0.000 0.991 61 R CB -0.265 29.982 30.300 -0.088 0.000 0.883 61 R HN 0.213 nan 8.270 nan 0.000 0.457 62 R N 1.529 121.966 120.500 -0.105 0.000 4.138 62 R HA 0.150 4.489 4.340 -0.000 0.000 0.206 62 R C 0.881 177.129 176.300 -0.087 0.000 1.667 62 R CA -0.126 55.924 56.100 -0.084 0.000 1.481 62 R CB -0.071 30.201 30.300 -0.047 0.000 1.388 62 R HN 0.217 nan 8.270 nan 0.000 0.776 63 I N 0.535 120.997 120.570 -0.179 0.000 2.127 63 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 63 I C 2.401 178.518 176.117 -0.001 0.000 1.075 63 I CA 1.442 62.625 61.300 -0.195 0.000 1.334 63 I CB -0.125 37.530 38.000 -0.575 0.000 1.040 63 I HN 0.372 nan 8.210 nan 0.000 0.405 64 E N 1.382 121.581 120.200 -0.001 0.000 2.058 64 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 64 E C 1.685 178.400 176.600 0.190 0.000 0.997 64 E CA 1.986 58.449 56.400 0.104 0.000 0.801 64 E CB -0.210 29.521 29.700 0.052 0.000 0.746 64 E HN 0.428 nan 8.360 nan 0.000 0.450 65 D N -0.632 119.841 120.400 0.122 0.000 2.104 65 D HA -0.135 4.504 4.640 -0.000 0.000 0.194 65 D C 1.905 178.325 176.300 0.200 0.000 0.994 65 D CA 1.608 55.695 54.000 0.146 0.000 0.830 65 D CB -0.124 40.720 40.800 0.074 0.000 0.959 65 D HN 0.302 nan 8.370 nan 0.000 0.452 66 I N -0.672 119.988 120.570 0.150 0.000 2.286 66 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 66 I C 1.967 178.247 176.117 0.272 0.000 1.115 66 I CA 0.714 62.109 61.300 0.159 0.000 1.392 66 I CB -0.335 37.707 38.000 0.070 0.000 1.065 66 I HN 0.283 nan 8.210 nan 0.000 0.418 67 W N 1.729 123.108 121.300 0.132 0.000 2.355 67 W HA -0.241 4.419 4.660 -0.000 0.000 0.309 67 W C 2.689 179.335 176.519 0.212 0.000 1.206 67 W CA 1.351 58.793 57.345 0.161 0.000 1.284 67 W CB -0.030 29.508 29.460 0.129 0.000 1.145 67 W HN 0.063 nan 8.180 nan 0.000 0.502 68 Q N -0.824 119.328 119.800 0.588 0.000 2.124 68 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 68 Q C 1.935 178.109 176.000 0.291 0.000 0.977 68 Q CA 1.850 57.945 55.803 0.487 0.000 0.850 68 Q CB -1.363 27.614 28.738 0.399 0.000 0.901 68 Q HN 0.585 nan 8.270 nan 0.000 0.429 69 Y N 1.016 121.399 120.300 0.137 0.000 2.145 69 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 69 Y C 2.183 178.099 175.900 0.028 0.000 1.145 69 Y CA 1.436 59.580 58.100 0.073 0.000 1.148 69 Y CB -0.064 38.433 38.460 0.062 0.000 0.981 69 Y HN -0.141 nan 8.280 nan 0.000 0.507 70 V N -0.513 119.493 119.914 0.153 0.000 2.548 70 V HA -0.235 3.884 4.120 -0.000 0.000 0.249 70 V C 1.892 177.912 176.094 -0.123 0.000 1.055 70 V CA 1.884 64.193 62.300 0.014 0.000 1.065 70 V CB -0.986 30.873 31.823 0.061 0.000 0.681 70 V HN 0.555 nan 8.190 nan 0.000 0.462 71 Y N 1.507 121.601 120.300 -0.344 0.000 2.130 71 Y HA -0.135 4.415 4.550 -0.000 0.000 0.287 71 Y C 2.725 178.518 175.900 -0.179 0.000 1.124 71 Y CA 1.703 59.558 58.100 -0.408 0.000 1.118 71 Y CB -0.136 37.855 38.460 -0.783 0.000 0.994 71 Y HN 0.049 nan 8.280 nan 0.000 0.497 72 R N -0.558 119.881 120.500 -0.102 0.000 2.073 72 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 72 R C 2.544 178.724 176.300 -0.199 0.000 1.120 72 R CA 0.986 57.001 56.100 -0.143 0.000 0.967 72 R CB -0.943 29.390 30.300 0.055 0.000 0.862 72 R HN 0.482 nan 8.270 nan 0.000 0.436 73 G N 1.144 109.806 108.800 -0.230 0.000 2.462 73 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 73 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 73 G C 1.517 176.278 174.900 -0.231 0.000 1.121 73 G CA 0.769 45.678 45.100 -0.318 0.000 0.758 73 G HN 0.396 nan 8.290 nan 0.000 0.559 74 A N -1.187 121.520 122.820 -0.187 0.000 2.070 74 A HA 0.133 4.453 4.320 -0.000 0.000 0.220 74 A C 1.527 179.060 177.584 -0.084 0.000 1.159 74 A CA 1.771 53.762 52.037 -0.078 0.000 0.656 74 A CB -0.334 18.665 19.000 -0.000 0.000 0.800 74 A HN 0.929 nan 8.150 nan 0.000 0.453 75 Y N -3.278 116.801 120.300 -0.369 0.000 2.760 75 Y HA -0.319 4.231 4.550 -0.000 0.000 0.484 75 Y C -0.207 175.355 175.900 -0.563 0.000 1.172 75 Y CA 1.753 59.520 58.100 -0.555 0.000 2.808 75 Y CB -1.609 36.366 38.460 -0.807 0.000 0.948 75 Y HN 0.418 nan 8.280 nan 0.000 0.551 76 W N 5.021 126.224 121.300 -0.162 0.000 2.416 76 W HA 0.562 5.222 4.660 -0.000 0.000 0.318 76 W C 0.457 176.840 176.519 -0.226 0.000 1.150 76 W CA -0.444 56.782 57.345 -0.199 0.000 1.392 76 W CB 0.304 29.722 29.460 -0.070 0.000 1.311 76 W HN -0.068 nan 8.180 nan 0.000 0.436 77 R N 2.984 123.389 120.500 -0.159 0.000 2.532 77 R HA 0.706 5.046 4.340 -0.000 0.000 0.272 77 R C 0.361 176.605 176.300 -0.093 0.000 1.032 77 R CA -0.922 55.015 56.100 -0.272 0.000 1.089 77 R CB 0.833 30.876 30.300 -0.429 0.000 1.098 77 R HN 0.541 nan 8.270 nan 0.000 0.526 78 R N -0.573 119.902 120.500 -0.042 0.000 3.936 78 R HA -0.163 4.177 4.340 -0.000 0.000 0.451 78 R C -0.207 176.115 176.300 0.036 0.000 0.241 78 R CA 0.633 56.797 56.100 0.107 0.000 1.423 78 R CB -1.370 29.023 30.300 0.156 0.000 1.085 78 R HN 1.089 nan 8.270 nan 0.000 0.524 79 G N -1.517 107.311 108.800 0.047 0.000 2.576 79 G HA2 0.027 3.987 3.960 -0.000 0.000 0.686 79 G HA3 0.027 3.987 3.960 -0.000 0.000 0.686 79 G C -2.499 172.397 174.900 -0.006 0.000 1.242 79 G CA -0.534 44.573 45.100 0.011 0.000 0.819 79 G HN 0.378 nan 8.290 nan 0.000 0.655 80 P HA -0.055 nan 4.420 nan 0.000 0.214 80 P C 2.180 179.453 177.300 -0.045 0.000 1.163 80 P CA 1.808 64.909 63.100 0.002 0.000 0.883 80 P CB 0.158 31.868 31.700 0.016 0.000 0.788 81 V N -0.665 119.197 119.914 -0.086 0.000 2.307 81 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 81 V C 2.331 178.181 176.094 -0.408 0.000 1.045 81 V CA 2.556 64.754 62.300 -0.170 0.000 1.024 81 V CB -1.913 29.840 31.823 -0.117 0.000 0.651 81 V HN 0.173 nan 8.190 nan 0.000 0.449 82 T N 0.356 114.633 114.554 -0.461 0.000 2.635 82 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 82 T C 1.894 176.386 174.700 -0.347 0.000 1.040 82 T CA 1.826 63.556 62.100 -0.617 0.000 1.156 82 T CB -0.329 68.388 68.868 -0.251 0.000 0.863 82 T HN 0.199 nan 8.240 nan 0.000 0.430 83 M N 0.451 119.959 119.600 -0.153 0.000 2.394 83 M HA 0.144 4.624 4.480 -0.000 0.000 0.264 83 M C 2.226 178.510 176.300 -0.026 0.000 1.073 83 M CA 1.024 56.293 55.300 -0.051 0.000 1.111 83 M CB -1.030 31.589 32.600 0.033 0.000 1.401 83 M HN 0.034 nan 8.290 nan 0.000 0.448 84 R N 0.684 121.152 120.500 -0.054 0.000 2.075 84 R HA 0.063 4.402 4.340 -0.000 0.000 0.232 84 R C 2.275 178.574 176.300 -0.003 0.000 1.126 84 R CA 1.662 57.760 56.100 -0.003 0.000 0.963 84 R CB -0.714 29.584 30.300 -0.003 0.000 0.858 84 R HN 0.374 nan 8.270 nan 0.000 0.435 85 A N 0.280 123.053 122.820 -0.079 0.000 1.877 85 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 85 A C 2.171 179.778 177.584 0.038 0.000 1.186 85 A CA 1.418 53.452 52.037 -0.006 0.000 0.620 85 A CB -0.563 18.416 19.000 -0.037 0.000 0.822 85 A HN 0.281 nan 8.150 nan 0.000 0.443 86 I N -0.282 120.277 120.570 -0.018 0.000 2.286 86 I HA -0.262 3.907 4.170 -0.000 0.000 0.248 86 I C 2.948 179.118 176.117 0.089 0.000 1.115 86 I CA 0.972 62.258 61.300 -0.024 0.000 1.392 86 I CB -0.346 37.540 38.000 -0.190 0.000 1.065 86 I HN 0.367 nan 8.210 nan 0.000 0.418 87 A N 0.844 123.733 122.820 0.116 0.000 1.902 87 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 87 A C 2.560 180.247 177.584 0.172 0.000 1.181 87 A CA 1.815 53.959 52.037 0.178 0.000 0.623 87 A CB -0.757 18.327 19.000 0.140 0.000 0.818 87 A HN 0.426 nan 8.150 nan 0.000 0.443 88 A N -0.542 122.359 122.820 0.135 0.000 1.902 88 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 88 A C 2.240 179.922 177.584 0.164 0.000 1.181 88 A CA 1.833 53.954 52.037 0.141 0.000 0.623 88 A CB -0.943 18.130 19.000 0.122 0.000 0.818 88 A HN 0.388 nan 8.150 nan 0.000 0.443 89 V N 0.327 120.334 119.914 0.154 0.000 2.295 89 V HA -0.267 3.852 4.120 -0.000 0.000 0.246 89 V C 2.327 178.535 176.094 0.189 0.000 1.049 89 V CA 2.512 64.904 62.300 0.153 0.000 1.024 89 V CB -0.866 31.037 31.823 0.132 0.000 0.648 89 V HN 0.701 nan 8.190 nan 0.000 0.447 90 D N -0.547 120.005 120.400 0.253 0.000 2.104 90 D HA -0.207 4.432 4.640 -0.000 0.000 0.194 90 D C 2.223 178.758 176.300 0.391 0.000 0.994 90 D CA 1.665 55.877 54.000 0.353 0.000 0.830 90 D CB -0.130 40.971 40.800 0.503 0.000 0.959 90 D HN 0.317 nan 8.370 nan 0.000 0.452 91 M N -0.125 119.677 119.600 0.338 0.000 2.117 91 M HA -0.154 4.325 4.480 -0.000 0.000 0.262 91 M C 2.322 178.840 176.300 0.363 0.000 1.065 91 M CA 1.548 57.061 55.300 0.355 0.000 1.114 91 M CB -0.242 32.508 32.600 0.250 0.000 1.361 91 M HN 0.129 nan 8.290 nan 0.000 0.408 92 A N 0.332 123.316 122.820 0.274 0.000 1.902 92 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 92 A C 2.055 179.726 177.584 0.146 0.000 1.181 92 A CA 1.322 53.492 52.037 0.222 0.000 0.623 92 A CB -0.857 18.254 19.000 0.185 0.000 0.818 92 A HN 0.466 nan 8.150 nan 0.000 0.443 93 L N -2.929 118.360 121.223 0.110 0.000 2.109 93 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 93 L C 2.536 179.364 176.870 -0.069 0.000 1.086 93 L CA 1.031 55.859 54.840 -0.020 0.000 0.760 93 L CB -0.465 41.536 42.059 -0.097 0.000 0.910 93 L HN 0.599 nan 8.230 nan 0.000 0.437 94 W N 0.544 121.880 121.300 0.060 0.000 2.436 94 W HA -0.181 4.479 4.660 -0.000 0.000 0.284 94 W C 2.353 178.854 176.519 -0.029 0.000 1.225 94 W CA 0.879 58.238 57.345 0.022 0.000 1.271 94 W CB -0.085 29.406 29.460 0.051 0.000 1.114 94 W HN 0.200 nan 8.180 nan 0.000 0.559 95 D N 0.456 120.964 120.400 0.180 0.000 2.097 95 D HA -0.188 4.451 4.640 -0.000 0.000 0.195 95 D C 1.890 178.137 176.300 -0.088 0.000 0.989 95 D CA 1.571 55.518 54.000 -0.088 0.000 0.827 95 D CB -0.333 40.315 40.800 -0.253 0.000 0.966 95 D HN 0.093 nan 8.370 nan 0.000 0.456 96 I N 0.034 120.578 120.570 -0.042 0.000 2.226 96 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 96 I C 2.509 178.587 176.117 -0.064 0.000 1.100 96 I CA 1.001 62.262 61.300 -0.064 0.000 1.374 96 I CB -0.221 37.754 38.000 -0.042 0.000 1.057 96 I HN 0.024 nan 8.210 nan 0.000 0.413 97 K N 1.143 121.510 120.400 -0.056 0.000 2.057 97 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 97 K C 2.184 178.779 176.600 -0.008 0.000 1.049 97 K CA 1.452 57.705 56.287 -0.055 0.000 0.931 97 K CB -0.095 32.333 32.500 -0.120 0.000 0.714 97 K HN 0.294 nan 8.250 nan 0.000 0.440 98 A N 1.366 124.200 122.820 0.023 0.000 1.898 98 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 98 A C 1.871 179.420 177.584 -0.058 0.000 1.181 98 A CA 1.570 53.597 52.037 -0.017 0.000 0.620 98 A CB -0.322 18.649 19.000 -0.048 0.000 0.819 98 A HN 0.286 nan 8.150 nan 0.000 0.442 99 K N -0.864 119.488 120.400 -0.079 0.000 2.057 99 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 99 K C 2.059 178.615 176.600 -0.073 0.000 1.049 99 K CA 1.711 57.942 56.287 -0.093 0.000 0.931 99 K CB -0.292 32.126 32.500 -0.137 0.000 0.714 99 K HN 0.490 nan 8.250 nan 0.000 0.440 100 M N 0.106 119.667 119.600 -0.066 0.000 2.229 100 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 100 M C 2.176 178.450 176.300 -0.043 0.000 1.063 100 M CA 1.273 56.541 55.300 -0.054 0.000 1.114 100 M CB -0.124 32.444 32.600 -0.053 0.000 1.387 100 M HN 0.172 nan 8.290 nan 0.000 0.420 101 A N -0.250 122.546 122.820 -0.041 0.000 2.169 101 A HA 0.305 4.624 4.320 -0.000 0.000 0.212 101 A C 1.656 179.216 177.584 -0.039 0.000 1.153 101 A CA 0.855 52.871 52.037 -0.035 0.000 0.756 101 A CB -0.758 18.225 19.000 -0.029 0.000 0.813 101 A HN 0.620 nan 8.150 nan 0.000 0.471 102 G N -1.166 107.608 108.800 -0.043 0.000 2.221 102 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.265 102 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.265 102 G C -0.031 174.843 174.900 -0.044 0.000 1.041 102 G CA 0.792 45.869 45.100 -0.039 0.000 0.807 102 G HN 0.521 nan 8.290 nan 0.000 0.502 103 M N -0.006 119.556 119.600 -0.063 0.000 2.550 103 M HA 0.505 4.985 4.480 -0.000 0.000 0.292 103 M C -2.602 173.624 176.300 -0.123 0.000 1.221 103 M CA -2.364 52.878 55.300 -0.096 0.000 0.873 103 M CB 2.735 35.259 32.600 -0.127 0.000 1.727 103 M HN -0.090 nan 8.290 nan 0.000 0.459 104 P HA 0.048 nan 4.420 nan 0.000 0.275 104 P C 0.452 177.556 177.300 -0.325 0.000 1.228 104 P CA -0.390 62.639 63.100 -0.119 0.000 0.786 104 P CB 0.998 32.752 31.700 0.090 0.000 0.927 105 L N 4.437 125.350 121.223 -0.516 0.000 2.051 105 L HA -0.256 4.083 4.340 -0.000 0.000 0.214 105 L C 2.550 179.285 176.870 -0.226 0.000 1.076 105 L CA 2.140 56.722 54.840 -0.431 0.000 0.758 105 L CB -2.064 39.657 42.059 -0.562 0.000 0.890 105 L HN 0.478 nan 8.230 nan 0.000 0.433 106 Y N -1.494 118.848 120.300 0.070 0.000 2.315 106 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 106 Y C 2.195 178.108 175.900 0.022 0.000 1.154 106 Y CA 1.408 59.591 58.100 0.138 0.000 1.229 106 Y CB -1.156 37.473 38.460 0.282 0.000 0.980 106 Y HN 0.289 nan 8.280 nan 0.000 0.540 107 Q N 0.466 119.921 119.800 -0.575 0.000 2.119 107 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 107 Q C 2.158 178.043 176.000 -0.193 0.000 0.972 107 Q CA 1.320 56.904 55.803 -0.365 0.000 0.847 107 Q CB -0.317 28.168 28.738 -0.422 0.000 0.903 107 Q HN 0.543 nan 8.270 nan 0.000 0.433 108 L N 0.053 121.158 121.223 -0.198 0.000 2.217 108 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 108 L C 2.174 178.884 176.870 -0.267 0.000 1.107 108 L CA 1.018 55.774 54.840 -0.141 0.000 0.783 108 L CB -0.517 41.529 42.059 -0.022 0.000 0.919 108 L HN 0.121 nan 8.230 nan 0.000 0.442 109 L N -1.226 119.736 121.223 -0.434 0.000 2.395 109 L HA 0.114 4.454 4.340 -0.000 0.000 0.218 109 L C 1.486 177.744 176.870 -1.019 0.000 1.130 109 L CA 0.931 55.259 54.840 -0.854 0.000 0.826 109 L CB -0.380 41.076 42.059 -1.005 0.000 0.941 109 L HN 0.500 nan 8.230 nan 0.000 0.451 110 G N -1.454 107.069 108.800 -0.463 0.000 2.870 110 G HA2 0.192 4.152 3.960 -0.000 0.000 0.216 110 G HA3 0.192 4.152 3.960 -0.000 0.000 0.216 110 G C 0.467 175.467 174.900 0.167 0.000 0.973 110 G CA -0.318 44.703 45.100 -0.132 0.000 0.807 110 G HN 0.630 nan 8.290 nan 0.000 0.573 111 G N -0.464 108.448 108.800 0.188 0.000 2.757 111 G HA2 0.149 4.109 3.960 -0.000 0.000 0.638 111 G HA3 0.149 4.109 3.960 -0.000 0.000 0.638 111 G C -0.182 174.989 174.900 0.452 0.000 1.344 111 G CA 0.222 45.519 45.100 0.328 0.000 0.855 111 G HN 1.078 nan 8.290 nan 0.000 0.537 112 R N 0.013 120.732 120.500 0.365 0.000 2.401 112 R HA 0.503 4.843 4.340 -0.000 0.000 0.299 112 R C 0.992 177.308 176.300 0.026 0.000 1.064 112 R CA 0.484 56.636 56.100 0.087 0.000 1.000 112 R CB 0.221 30.507 30.300 -0.023 0.000 0.973 112 R HN 0.447 nan 8.270 nan 0.000 0.438 113 S N 4.092 119.748 115.700 -0.073 0.000 2.512 113 S HA 0.116 4.586 4.470 -0.000 0.000 0.216 113 S C -0.224 174.297 174.600 -0.132 0.000 1.006 113 S CA -0.194 57.938 58.200 -0.113 0.000 0.915 113 S CB 0.231 63.302 63.200 -0.215 0.000 0.824 113 S HN 0.754 nan 8.310 nan 0.000 0.497 114 R N -0.139 120.257 120.500 -0.174 0.000 2.733 114 R HA 0.509 4.849 4.340 -0.000 0.000 0.272 114 R C -0.473 175.715 176.300 -0.186 0.000 1.029 114 R CA -0.644 55.350 56.100 -0.176 0.000 0.888 114 R CB 0.482 30.639 30.300 -0.238 0.000 1.251 114 R HN -0.077 nan 8.270 nan 0.000 0.464 115 D N 0.210 120.530 120.400 -0.134 0.000 2.306 115 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 115 D C 0.580 176.788 176.300 -0.153 0.000 1.105 115 D CA 1.445 55.411 54.000 -0.057 0.000 0.950 115 D CB -0.394 40.442 40.800 0.059 0.000 1.036 115 D HN 0.618 nan 8.370 nan 0.000 0.428 116 G N -0.321 108.325 108.800 -0.255 0.000 2.477 116 G HA2 0.511 4.471 3.960 -0.000 0.000 0.304 116 G HA3 0.511 4.471 3.960 -0.000 0.000 0.304 116 G C -0.473 174.004 174.900 -0.705 0.000 1.175 116 G CA -0.469 44.099 45.100 -0.886 0.000 0.907 116 G HN 0.279 nan 8.290 nan 0.000 0.509 117 I N 1.544 121.627 120.570 -0.811 0.000 2.359 117 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 117 I C 0.464 176.408 176.117 -0.287 0.000 1.018 117 I CA -0.669 60.270 61.300 -0.602 0.000 1.173 117 I CB 1.128 38.770 38.000 -0.597 0.000 1.326 117 I HN 0.504 nan 8.210 nan 0.000 0.462 118 M N 7.859 127.447 119.600 -0.021 0.000 2.252 118 M HA 0.258 4.738 4.480 -0.000 0.000 0.348 118 M C -0.304 176.055 176.300 0.100 0.000 1.334 118 M CA 0.267 55.603 55.300 0.059 0.000 1.071 118 M CB 0.533 33.208 32.600 0.125 0.000 1.763 118 M HN 0.498 nan 8.290 nan 0.000 0.452 119 V N 3.602 123.543 119.914 0.044 0.000 3.158 119 V HA 0.789 4.909 4.120 -0.000 0.000 0.315 119 V C -1.487 174.656 176.094 0.083 0.000 1.148 119 V CA -0.861 61.466 62.300 0.046 0.000 1.042 119 V CB 1.806 33.681 31.823 0.087 0.000 1.101 119 V HN 0.879 nan 8.190 nan 0.000 0.448 120 Y N -0.285 119.986 120.300 -0.048 0.000 2.477 120 Y HA 0.980 5.530 4.550 -0.000 0.000 0.347 120 Y C 0.065 175.873 175.900 -0.153 0.000 0.981 120 Y CA -0.559 57.449 58.100 -0.155 0.000 1.033 120 Y CB 1.447 39.635 38.460 -0.455 0.000 1.245 120 Y HN 1.039 nan 8.280 nan 0.000 0.455 121 G N 0.758 109.480 108.800 -0.130 0.000 2.552 121 G HA2 0.480 4.440 3.960 -0.000 0.000 0.318 121 G HA3 0.480 4.440 3.960 -0.000 0.000 0.318 121 G C -1.821 172.556 174.900 -0.871 0.000 1.240 121 G CA -1.073 43.687 45.100 -0.567 0.000 1.002 121 G HN 0.780 nan 8.290 nan 0.000 0.493 122 H N -0.532 118.133 119.070 -0.676 0.000 2.725 122 H HA 0.588 5.144 4.556 -0.000 0.000 0.283 122 H C 0.240 175.360 175.328 -0.348 0.000 1.110 122 H CA -0.218 55.609 56.048 -0.368 0.000 1.289 122 H CB 1.160 30.845 29.762 -0.129 0.000 1.400 122 H HN 0.626 nan 8.280 nan 0.000 0.493 123 A N 4.237 126.883 122.820 -0.290 0.000 2.289 123 A HA 0.449 4.769 4.320 -0.000 0.000 0.298 123 A C -0.059 177.496 177.584 -0.049 0.000 1.208 123 A CA -0.709 51.289 52.037 -0.064 0.000 0.845 123 A CB 0.172 19.120 19.000 -0.086 0.000 1.125 123 A HN 0.865 nan 8.150 nan 0.000 0.517 124 N N 1.719 120.408 118.700 -0.020 0.000 2.329 124 N HA 0.718 5.458 4.740 -0.000 0.000 0.282 124 N C -0.577 174.912 175.510 -0.034 0.000 1.198 124 N CA -0.148 52.867 53.050 -0.059 0.000 0.790 124 N CB 2.132 40.543 38.487 -0.126 0.000 1.579 124 N HN 0.747 nan 8.380 nan 0.000 0.475 125 G N -0.905 107.878 108.800 -0.028 0.000 2.692 125 G HA2 0.372 4.332 3.960 -0.000 0.000 0.291 125 G HA3 0.372 4.332 3.960 -0.000 0.000 0.291 125 G C 0.378 175.281 174.900 0.004 0.000 1.423 125 G CA -0.271 44.821 45.100 -0.012 0.000 0.843 125 G HN 0.597 nan 8.290 nan 0.000 0.486 126 S N -0.977 114.728 115.700 0.007 0.000 2.453 126 S HA 0.087 4.557 4.470 -0.000 0.000 0.231 126 S C 0.591 175.212 174.600 0.034 0.000 1.005 126 S CA 1.581 59.789 58.200 0.014 0.000 0.949 126 S CB -0.351 62.852 63.200 0.004 0.000 0.774 126 S HN 0.885 nan 8.310 nan 0.000 0.510 127 D N -1.140 119.295 120.400 0.058 0.000 2.677 127 D HA 0.409 5.049 4.640 -0.000 0.000 0.298 127 D C 0.718 177.086 176.300 0.114 0.000 1.250 127 D CA -0.891 53.190 54.000 0.135 0.000 0.888 127 D CB -0.109 40.758 40.800 0.112 0.000 1.397 127 D HN -0.003 nan 8.370 nan 0.000 0.461 128 I N 0.271 120.923 120.570 0.137 0.000 2.163 128 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 128 I C 2.472 178.552 176.117 -0.061 0.000 1.085 128 I CA 1.994 63.259 61.300 -0.058 0.000 1.347 128 I CB -0.494 37.379 38.000 -0.212 0.000 1.044 128 I HN 0.603 nan 8.210 nan 0.000 0.408 129 A N 0.390 123.193 122.820 -0.028 0.000 1.873 129 A HA -0.319 4.000 4.320 -0.000 0.000 0.218 129 A C 2.309 179.878 177.584 -0.025 0.000 1.193 129 A CA 2.324 54.340 52.037 -0.035 0.000 0.629 129 A CB -0.791 18.197 19.000 -0.019 0.000 0.826 129 A HN 0.544 nan 8.150 nan 0.000 0.447 130 E N -1.081 119.112 120.200 -0.010 0.000 2.106 130 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 130 E C 1.896 178.489 176.600 -0.011 0.000 0.984 130 E CA 1.529 57.924 56.400 -0.010 0.000 0.806 130 E CB -0.141 29.556 29.700 -0.006 0.000 0.750 130 E HN 0.568 nan 8.360 nan 0.000 0.458 131 T N 0.142 114.683 114.554 -0.021 0.000 2.821 131 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 131 T C 1.873 176.554 174.700 -0.031 0.000 1.046 131 T CA 1.083 63.161 62.100 -0.037 0.000 1.139 131 T CB -0.081 68.745 68.868 -0.070 0.000 0.871 131 T HN 0.025 nan 8.240 nan 0.000 0.454 132 V N 1.524 121.418 119.914 -0.033 0.000 2.343 132 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 132 V C 2.553 178.723 176.094 0.127 0.000 1.051 132 V CA 1.848 64.167 62.300 0.031 0.000 1.036 132 V CB -0.544 31.249 31.823 -0.049 0.000 0.654 132 V HN 0.560 nan 8.190 nan 0.000 0.451 133 E N 0.306 120.543 120.200 0.062 0.000 2.077 133 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 133 E C 2.242 178.887 176.600 0.074 0.000 0.989 133 E CA 1.419 57.863 56.400 0.072 0.000 0.800 133 E CB -0.228 29.483 29.700 0.018 0.000 0.746 133 E HN 0.561 nan 8.360 nan 0.000 0.452 134 A N 0.563 123.414 122.820 0.053 0.000 1.908 134 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 134 A C 2.413 180.079 177.584 0.136 0.000 1.181 134 A CA 1.554 53.644 52.037 0.088 0.000 0.627 134 A CB -0.712 18.333 19.000 0.074 0.000 0.818 134 A HN 0.241 nan 8.150 nan 0.000 0.445 135 V N -0.084 119.853 119.914 0.039 0.000 2.407 135 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 135 V C 2.795 178.722 176.094 -0.278 0.000 1.055 135 V CA 1.885 64.126 62.300 -0.098 0.000 1.049 135 V CB -1.409 30.311 31.823 -0.172 0.000 0.662 135 V HN 0.626 nan 8.190 nan 0.000 0.455 136 G N -0.913 107.745 108.800 -0.236 0.000 2.422 136 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.218 136 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.218 136 G C 1.439 176.276 174.900 -0.105 0.000 1.146 136 G CA 1.246 46.179 45.100 -0.277 0.000 0.769 136 G HN 0.642 nan 8.290 nan 0.000 0.547 137 H N -0.431 118.563 119.070 -0.127 0.000 2.353 137 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 137 H C 2.139 177.325 175.328 -0.237 0.000 1.090 137 H CA 1.437 57.382 56.048 -0.172 0.000 1.327 137 H CB -0.346 29.282 29.762 -0.223 0.000 1.383 137 H HN 0.417 nan 8.280 nan 0.000 0.508 138 Y N -0.189 119.917 120.300 -0.324 0.000 2.242 138 Y HA -0.084 4.466 4.550 -0.000 0.000 0.291 138 Y C 2.661 178.440 175.900 -0.202 0.000 1.137 138 Y CA 1.272 59.112 58.100 -0.434 0.000 1.181 138 Y CB -0.207 37.927 38.460 -0.543 0.000 0.989 138 Y HN 0.214 nan 8.280 nan 0.000 0.527 139 I N -0.220 120.261 120.570 -0.147 0.000 2.226 139 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 139 I C 1.716 177.814 176.117 -0.032 0.000 1.100 139 I CA 1.395 62.578 61.300 -0.195 0.000 1.374 139 I CB -0.325 37.339 38.000 -0.560 0.000 1.057 139 I HN 0.196 nan 8.210 nan 0.000 0.413 140 D N 0.644 121.006 120.400 -0.063 0.000 2.144 140 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 140 D C 2.148 178.457 176.300 0.016 0.000 0.984 140 D CA 1.345 55.341 54.000 -0.008 0.000 0.834 140 D CB -0.148 40.654 40.800 0.004 0.000 0.955 140 D HN 0.345 nan 8.370 nan 0.000 0.465 141 M N -0.810 118.787 119.600 -0.005 0.000 2.659 141 M HA 0.086 4.565 4.480 -0.000 0.000 0.243 141 M C 1.062 177.479 176.300 0.195 0.000 1.111 141 M CA 0.745 56.102 55.300 0.095 0.000 1.070 141 M CB 0.439 33.099 32.600 0.099 0.000 1.525 141 M HN 0.134 nan 8.290 nan 0.000 0.517 142 G N -0.241 108.674 108.800 0.191 0.000 2.144 142 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 142 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 142 G C -0.318 174.690 174.900 0.180 0.000 0.988 142 G CA -0.600 44.588 45.100 0.147 0.000 0.659 142 G HN 0.384 nan 8.290 nan 0.000 0.522 143 Y N 0.774 121.165 120.300 0.152 0.000 2.497 143 Y HA 0.395 4.945 4.550 -0.000 0.000 0.334 143 Y C 1.849 177.853 175.900 0.173 0.000 1.199 143 Y CA 0.624 58.838 58.100 0.190 0.000 1.425 143 Y CB 0.844 39.434 38.460 0.217 0.000 1.291 143 Y HN 0.116 nan 8.280 nan 0.000 0.562 144 K N 1.942 122.485 120.400 0.239 0.000 2.323 144 K HA 0.407 4.726 4.320 -0.000 0.000 0.197 144 K C 0.016 176.731 176.600 0.192 0.000 1.043 144 K CA 0.578 56.971 56.287 0.177 0.000 0.997 144 K CB 0.478 33.047 32.500 0.115 0.000 0.807 144 K HN 0.546 nan 8.250 nan 0.000 0.497 145 A N 1.214 124.139 122.820 0.174 0.000 2.449 145 A HA 0.678 4.997 4.320 -0.000 0.000 0.302 145 A C -1.407 176.168 177.584 -0.015 0.000 1.048 145 A CA -0.737 51.312 52.037 0.019 0.000 0.708 145 A CB 1.004 19.866 19.000 -0.230 0.000 1.274 145 A HN 0.069 nan 8.150 nan 0.000 0.410 146 I N 0.811 121.291 120.570 -0.151 0.000 2.569 146 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 146 I C 0.027 175.968 176.117 -0.294 0.000 1.088 146 I CA -0.310 60.829 61.300 -0.267 0.000 1.047 146 I CB 2.157 39.988 38.000 -0.283 0.000 1.237 146 I HN 0.737 nan 8.210 nan 0.000 0.421 147 R N 4.119 124.415 120.500 -0.341 0.000 2.297 147 R HA 0.853 5.193 4.340 -0.000 0.000 0.308 147 R C -0.934 175.284 176.300 -0.137 0.000 1.029 147 R CA -0.463 55.480 56.100 -0.261 0.000 0.929 147 R CB 1.128 31.268 30.300 -0.267 0.000 1.046 147 R HN 0.846 nan 8.270 nan 0.000 0.461 148 A N 4.888 127.726 122.820 0.031 0.000 2.287 148 A HA 0.386 4.706 4.320 -0.000 0.000 0.317 148 A C -1.110 176.564 177.584 0.149 0.000 1.220 148 A CA -0.741 51.299 52.037 0.004 0.000 0.835 148 A CB 1.477 20.385 19.000 -0.154 0.000 1.180 148 A HN 0.640 nan 8.150 nan 0.000 0.500 149 Q N 1.000 120.829 119.800 0.048 0.000 2.337 149 Q HA 0.552 4.892 4.340 -0.000 0.000 0.270 149 Q C -0.810 175.214 176.000 0.041 0.000 1.043 149 Q CA -0.286 55.572 55.803 0.092 0.000 0.794 149 Q CB 2.147 30.840 28.738 -0.075 0.000 1.281 149 Q HN 0.705 nan 8.270 nan 0.000 0.446 150 T N 0.142 114.771 114.554 0.125 0.000 2.887 150 T HA 0.714 5.064 4.350 -0.000 0.000 0.288 150 T C -0.043 174.749 174.700 0.154 0.000 1.021 150 T CA -0.331 61.836 62.100 0.112 0.000 1.000 150 T CB 1.315 70.264 68.868 0.135 0.000 1.034 150 T HN 0.656 nan 8.240 nan 0.000 0.467 151 G N 1.493 110.354 108.800 0.102 0.000 2.569 151 G HA2 0.509 4.469 3.960 -0.000 0.000 0.249 151 G HA3 0.509 4.469 3.960 -0.000 0.000 0.249 151 G C -0.824 174.100 174.900 0.041 0.000 1.216 151 G CA -0.322 44.821 45.100 0.072 0.000 0.845 151 G HN 0.757 nan 8.290 nan 0.000 0.568 152 V N 2.724 122.608 119.914 -0.050 0.000 2.487 152 V HA 0.282 4.402 4.120 -0.000 0.000 0.298 152 V C -2.098 173.791 176.094 -0.342 0.000 1.028 152 V CA -1.471 60.655 62.300 -0.291 0.000 0.860 152 V CB 2.158 33.896 31.823 -0.141 0.000 0.991 152 V HN 0.572 nan 8.190 nan 0.000 0.427 153 P HA 0.209 nan 4.420 nan 0.000 0.260 153 P C 0.969 178.129 177.300 -0.234 0.000 1.185 153 P CA 1.495 64.401 63.100 -0.324 0.000 0.763 153 P CB 0.472 31.957 31.700 -0.357 0.000 0.776 154 G N 2.779 111.488 108.800 -0.152 0.000 2.194 154 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.236 154 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.236 154 G C 0.055 174.887 174.900 -0.113 0.000 0.987 154 G CA -0.428 44.598 45.100 -0.124 0.000 0.635 154 G HN 0.489 nan 8.290 nan 0.000 0.520 155 I N 0.901 121.407 120.570 -0.106 0.000 2.433 155 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 155 I C 0.342 176.469 176.117 0.017 0.000 1.001 155 I CA -0.891 60.377 61.300 -0.054 0.000 1.119 155 I CB 1.929 39.888 38.000 -0.067 0.000 1.289 155 I HN 0.019 nan 8.210 nan 0.000 0.438 156 K N 6.213 126.648 120.400 0.057 0.000 2.312 156 K HA 0.092 4.412 4.320 -0.000 0.000 0.287 156 K C -0.782 175.901 176.600 0.137 0.000 1.062 156 K CA -0.130 56.205 56.287 0.079 0.000 0.934 156 K CB 0.373 32.917 32.500 0.072 0.000 1.027 156 K HN 0.538 nan 8.250 nan 0.000 0.478 157 D N 1.950 122.424 120.400 0.122 0.000 3.082 157 D HA -0.193 4.446 4.640 -0.000 0.000 0.234 157 D C -0.538 175.895 176.300 0.222 0.000 1.159 157 D CA 1.098 55.195 54.000 0.162 0.000 0.875 157 D CB -0.956 39.951 40.800 0.180 0.000 0.946 157 D HN 0.711 nan 8.370 nan 0.000 0.411 158 A N 1.270 124.202 122.820 0.186 0.000 2.466 158 A HA 0.280 4.599 4.320 -0.000 0.000 0.238 158 A C 0.309 177.975 177.584 0.137 0.000 1.074 158 A CA -0.331 51.844 52.037 0.230 0.000 0.774 158 A CB 0.237 19.367 19.000 0.217 0.000 1.015 158 A HN 0.387 nan 8.150 nan 0.000 0.498 159 Y N 1.263 121.551 120.300 -0.020 0.000 2.811 159 Y HA 0.288 4.838 4.550 -0.000 0.000 0.334 159 Y C 1.408 177.089 175.900 -0.364 0.000 1.247 159 Y CA 1.145 59.094 58.100 -0.252 0.000 1.526 159 Y CB 0.152 38.230 38.460 -0.637 0.000 1.284 159 Y HN 1.643 nan 8.280 nan 0.000 0.586 160 G N 3.356 110.948 108.800 -2.014 0.000 2.155 160 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.257 160 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.257 160 G C -0.743 173.505 174.900 -1.087 0.000 0.983 160 G CA 0.226 43.922 45.100 -2.340 0.000 0.676 160 G HN 0.815 nan 8.290 nan 0.000 0.528 161 V N -0.529 119.075 119.914 -0.516 0.000 2.555 161 V HA 0.770 4.890 4.120 -0.000 0.000 0.302 161 V C 1.412 177.517 176.094 0.017 0.000 1.038 161 V CA 0.377 62.578 62.300 -0.165 0.000 0.887 161 V CB 1.334 33.113 31.823 -0.073 0.000 0.991 161 V HN 1.847 nan 8.190 nan 0.000 0.434 162 G N 3.854 112.660 108.800 0.011 0.000 2.160 162 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.251 162 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.251 162 G C 0.460 175.398 174.900 0.062 0.000 1.008 162 G CA 0.136 45.257 45.100 0.035 0.000 0.724 162 G HN 0.552 nan 8.290 nan 0.000 0.514 163 R N -0.227 120.339 120.500 0.110 0.000 2.668 163 R HA 0.526 4.866 4.340 -0.000 0.000 0.435 163 R C 0.710 176.933 176.300 -0.127 0.000 1.059 163 R CA 0.410 56.542 56.100 0.053 0.000 1.073 163 R CB 0.460 30.792 30.300 0.052 0.000 1.401 163 R HN 1.613 nan 8.270 nan 0.000 0.590 164 G N 0.373 109.022 108.800 -0.252 0.000 2.316 164 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.468 164 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.468 164 G C -0.276 174.369 174.900 -0.425 0.000 1.523 164 G CA -0.491 44.192 45.100 -0.696 0.000 0.972 164 G HN 0.054 nan 8.290 nan 0.000 0.667 165 K N -0.239 119.932 120.400 -0.382 0.000 2.157 165 K HA 0.296 4.616 4.320 -0.000 0.000 0.207 165 K C 1.619 178.217 176.600 -0.003 0.000 1.030 165 K CA 0.165 56.377 56.287 -0.124 0.000 0.965 165 K CB -0.140 32.317 32.500 -0.072 0.000 0.877 165 K HN 0.285 nan 8.250 nan 0.000 0.460 166 L N 1.597 122.837 121.223 0.028 0.000 2.612 166 L HA 0.140 4.480 4.340 -0.000 0.000 0.230 166 L C 0.038 177.005 176.870 0.161 0.000 1.140 166 L CA 0.462 55.405 54.840 0.171 0.000 0.896 166 L CB -1.446 40.699 42.059 0.145 0.000 1.065 166 L HN 0.324 nan 8.230 nan 0.000 0.447 167 Y N -3.379 116.909 120.300 -0.020 0.000 2.788 167 Y HA 0.582 5.132 4.550 -0.000 0.000 0.335 167 Y C -1.642 174.258 175.900 0.000 0.000 1.287 167 Y CA -2.127 55.896 58.100 -0.128 0.000 1.068 167 Y CB 1.238 39.610 38.460 -0.146 0.000 1.340 167 Y HN -0.112 nan 8.280 nan 0.000 0.449 168 Y N 1.398 121.647 120.300 -0.085 0.000 2.332 168 Y HA 0.573 5.123 4.550 -0.000 0.000 0.325 168 Y C -1.465 174.509 175.900 0.124 0.000 1.054 168 Y CA -1.396 56.648 58.100 -0.093 0.000 1.119 168 Y CB 2.006 40.385 38.460 -0.134 0.000 1.168 168 Y HN 0.768 nan 8.280 nan 0.000 0.439 169 E N 8.544 128.610 120.200 -0.225 0.000 2.267 169 E HA 0.447 4.797 4.350 -0.000 0.000 0.241 169 E C -2.318 174.031 176.600 -0.419 0.000 0.950 169 E CA -2.730 53.558 56.400 -0.188 0.000 0.776 169 E CB 1.091 30.832 29.700 0.069 0.000 1.207 169 E HN 0.457 nan 8.360 nan 0.000 0.436 170 P HA -0.146 nan 4.420 nan 0.000 0.214 170 P C -0.147 177.012 177.300 -0.236 0.000 1.163 170 P CA 1.112 63.983 63.100 -0.380 0.000 0.889 170 P CB 0.155 31.853 31.700 -0.003 0.000 0.790 171 A N 1.027 123.743 122.820 -0.173 0.000 2.897 171 A HA 0.027 4.347 4.320 -0.000 0.000 0.287 171 A C 0.604 178.121 177.584 -0.112 0.000 1.748 171 A CA 0.278 52.233 52.037 -0.136 0.000 1.397 171 A CB -1.215 17.715 19.000 -0.117 0.000 1.049 171 A HN 0.225 nan 8.150 nan 0.000 0.592 172 D N 0.345 120.685 120.400 -0.099 0.000 2.363 172 D HA 0.439 5.079 4.640 -0.000 0.000 0.214 172 D C 0.223 176.500 176.300 -0.039 0.000 1.093 172 D CA 0.679 54.640 54.000 -0.065 0.000 0.837 172 D CB 0.140 40.906 40.800 -0.056 0.000 0.948 172 D HN 0.502 nan 8.370 nan 0.000 0.507 173 A N -0.166 122.641 122.820 -0.023 0.000 2.609 173 A HA 0.525 4.844 4.320 -0.000 0.000 0.291 173 A C 0.765 178.389 177.584 0.066 0.000 1.096 173 A CA -0.080 51.961 52.037 0.006 0.000 0.684 173 A CB 1.008 20.006 19.000 -0.003 0.000 1.282 173 A HN 0.025 nan 8.150 nan 0.000 0.412 174 S N -0.246 115.492 115.700 0.063 0.000 2.474 174 S HA 0.169 4.639 4.470 -0.000 0.000 0.235 174 S C 0.461 175.212 174.600 0.252 0.000 0.997 174 S CA 0.947 59.220 58.200 0.122 0.000 0.949 174 S CB -0.595 62.641 63.200 0.060 0.000 0.766 174 S HN 0.558 nan 8.310 nan 0.000 0.517 175 L N 0.487 121.771 121.223 0.103 0.000 2.424 175 L HA 0.497 4.837 4.340 -0.000 0.000 0.258 175 L C -2.978 173.792 176.870 -0.166 0.000 0.995 175 L CA -2.794 51.947 54.840 -0.165 0.000 0.821 175 L CB 2.182 44.141 42.059 -0.167 0.000 1.383 175 L HN -0.197 nan 8.230 nan 0.000 0.410 176 P HA 0.032 nan 4.420 nan 0.000 0.261 176 P C -0.786 176.431 177.300 -0.137 0.000 1.183 176 P CA 0.282 63.264 63.100 -0.196 0.000 0.761 176 P CB 0.503 32.057 31.700 -0.245 0.000 0.785 177 S N 1.743 117.374 115.700 -0.115 0.000 2.580 177 S HA 0.251 4.721 4.470 -0.000 0.000 0.274 177 S C 0.139 174.698 174.600 -0.069 0.000 1.329 177 S CA -0.555 57.599 58.200 -0.077 0.000 1.036 177 S CB 0.499 63.663 63.200 -0.061 0.000 0.919 177 S HN 0.144 nan 8.310 nan 0.000 0.515 178 V N 3.313 123.215 119.914 -0.019 0.000 2.370 178 V HA 0.461 4.581 4.120 -0.000 0.000 0.283 178 V C 0.627 176.763 176.094 0.070 0.000 1.023 178 V CA -0.710 61.602 62.300 0.020 0.000 0.857 178 V CB 1.024 32.861 31.823 0.023 0.000 0.985 178 V HN 1.048 nan 8.190 nan 0.000 0.443 179 T N 2.054 116.687 114.554 0.132 0.000 2.952 179 T HA 0.823 5.173 4.350 -0.000 0.000 0.286 179 T C 0.239 175.072 174.700 0.222 0.000 1.024 179 T CA -0.312 61.909 62.100 0.200 0.000 1.029 179 T CB 1.978 71.040 68.868 0.323 0.000 1.094 179 T HN 0.822 nan 8.240 nan 0.000 0.515 180 G N -0.409 108.523 108.800 0.221 0.000 2.509 180 G HA2 0.612 4.572 3.960 -0.000 0.000 0.328 180 G HA3 0.612 4.572 3.960 -0.000 0.000 0.328 180 G C -1.807 173.298 174.900 0.341 0.000 1.194 180 G CA -1.023 44.203 45.100 0.211 0.000 0.967 180 G HN 0.836 nan 8.290 nan 0.000 0.488 181 W N 0.329 121.641 121.300 0.019 0.000 3.419 181 W HA 0.476 5.136 4.660 -0.000 0.000 0.298 181 W C -2.540 173.920 176.519 -0.098 0.000 1.260 181 W CA -0.579 56.757 57.345 -0.014 0.000 1.199 181 W CB 2.251 31.724 29.460 0.023 0.000 1.349 181 W HN 0.626 nan 8.180 nan 0.000 0.557 182 D N 2.043 121.717 120.400 -1.211 0.000 2.613 182 D HA 0.264 4.904 4.640 -0.000 0.000 0.230 182 D C 0.509 176.097 176.300 -1.186 0.000 1.365 182 D CA -0.117 53.340 54.000 -0.906 0.000 0.976 182 D CB 2.111 42.620 40.800 -0.486 0.000 1.415 182 D HN 0.139 nan 8.370 nan 0.000 0.589 183 T N 1.825 115.943 114.554 -0.728 0.000 2.708 183 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 183 T C 1.782 176.416 174.700 -0.110 0.000 1.037 183 T CA 1.126 63.087 62.100 -0.232 0.000 1.146 183 T CB -0.088 68.876 68.868 0.160 0.000 0.865 183 T HN 0.271 nan 8.240 nan 0.000 0.435 184 R N 1.726 122.151 120.500 -0.124 0.000 2.091 184 R HA -0.011 4.329 4.340 -0.000 0.000 0.238 184 R C 2.113 178.363 176.300 -0.082 0.000 1.136 184 R CA 1.660 57.723 56.100 -0.061 0.000 0.959 184 R CB -0.470 29.790 30.300 -0.067 0.000 0.856 184 R HN 0.352 nan 8.270 nan 0.000 0.437 185 K N -0.409 119.883 120.400 -0.181 0.000 2.063 185 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 185 K C 2.041 178.580 176.600 -0.102 0.000 1.048 185 K CA 1.539 57.728 56.287 -0.164 0.000 0.928 185 K CB -0.220 32.130 32.500 -0.250 0.000 0.713 185 K HN 0.289 nan 8.250 nan 0.000 0.442 186 A N 1.306 124.024 122.820 -0.170 0.000 1.897 186 A HA -0.078 4.241 4.320 -0.000 0.000 0.215 186 A C 2.092 179.803 177.584 0.212 0.000 1.181 186 A CA 1.017 53.083 52.037 0.048 0.000 0.620 186 A CB -0.553 18.472 19.000 0.041 0.000 0.821 186 A HN 0.146 nan 8.150 nan 0.000 0.443 187 L N -0.022 121.316 121.223 0.191 0.000 2.131 187 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 187 L C 1.657 178.592 176.870 0.108 0.000 1.092 187 L CA 0.993 55.928 54.840 0.158 0.000 0.759 187 L CB -0.510 41.628 42.059 0.130 0.000 0.903 187 L HN 0.371 nan 8.230 nan 0.000 0.435 188 N N -1.693 117.066 118.700 0.100 0.000 2.463 188 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 188 N C 1.289 176.892 175.510 0.154 0.000 1.078 188 N CA 0.721 53.828 53.050 0.095 0.000 0.902 188 N CB 0.221 38.749 38.487 0.068 0.000 0.970 188 N HN 0.350 nan 8.380 nan 0.000 0.451 189 Y N 0.077 120.388 120.300 0.018 0.000 2.609 189 Y HA 0.176 4.726 4.550 -0.000 0.000 0.281 189 Y C 2.016 177.929 175.900 0.022 0.000 1.132 189 Y CA 0.201 58.307 58.100 0.011 0.000 1.264 189 Y CB -0.111 38.351 38.460 0.003 0.000 1.325 189 Y HN -0.266 nan 8.280 nan 0.000 0.514 190 V N 2.096 122.104 119.914 0.156 0.000 2.282 190 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 190 V C -0.681 175.423 176.094 0.016 0.000 1.057 190 V CA 2.560 64.904 62.300 0.074 0.000 1.032 190 V CB -1.788 30.124 31.823 0.148 0.000 0.645 190 V HN 0.270 nan 8.190 nan 0.000 0.447 191 P HA -0.155 nan 4.420 nan 0.000 0.216 191 P C 1.567 178.820 177.300 -0.079 0.000 1.150 191 P CA 1.382 64.529 63.100 0.077 0.000 0.837 191 P CB -0.080 31.686 31.700 0.111 0.000 0.786 192 K N -0.962 119.333 120.400 -0.176 0.000 2.147 192 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 192 K C 1.927 178.285 176.600 -0.403 0.000 1.049 192 K CA 0.905 57.018 56.287 -0.290 0.000 0.936 192 K CB -0.781 31.517 32.500 -0.337 0.000 0.722 192 K HN 0.097 nan 8.250 nan 0.000 0.446 193 L N 0.345 121.298 121.223 -0.449 0.000 2.017 193 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 193 L C 1.775 178.254 176.870 -0.652 0.000 1.073 193 L CA 1.756 56.268 54.840 -0.546 0.000 0.745 193 L CB -0.442 41.262 42.059 -0.590 0.000 0.894 193 L HN 0.006 nan 8.230 nan 0.000 0.432 194 F N 0.127 119.832 119.950 -0.409 0.000 2.325 194 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 194 F C 2.543 177.825 175.800 -0.863 0.000 1.090 194 F CA 1.315 59.025 58.000 -0.484 0.000 1.392 194 F CB -0.488 38.317 39.000 -0.324 0.000 1.053 194 F HN 0.306 nan 8.300 nan 0.000 0.521 195 E N 0.520 120.117 120.200 -1.006 0.000 2.072 195 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 195 E C 1.968 178.314 176.600 -0.422 0.000 0.985 195 E CA 1.342 57.165 56.400 -0.962 0.000 0.801 195 E CB 0.029 29.415 29.700 -0.524 0.000 0.750 195 E HN 0.230 nan 8.360 nan 0.000 0.452 196 E N 0.641 120.619 120.200 -0.369 0.000 2.106 196 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 196 E C 2.316 178.749 176.600 -0.278 0.000 0.984 196 E CA 0.612 56.845 56.400 -0.278 0.000 0.806 196 E CB -0.177 29.363 29.700 -0.266 0.000 0.750 196 E HN 0.404 nan 8.360 nan 0.000 0.458 197 L N 0.563 121.610 121.223 -0.293 0.000 2.046 197 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 197 L C 2.503 179.280 176.870 -0.155 0.000 1.077 197 L CA 1.001 55.734 54.840 -0.177 0.000 0.747 197 L CB -0.251 41.704 42.059 -0.173 0.000 0.896 197 L HN -0.008 nan 8.230 nan 0.000 0.432 198 R N 0.135 120.497 120.500 -0.230 0.000 2.115 198 R HA -0.119 4.221 4.340 -0.000 0.000 0.226 198 R C 2.094 178.289 176.300 -0.175 0.000 1.100 198 R CA 0.936 56.845 56.100 -0.319 0.000 0.980 198 R CB -0.438 29.584 30.300 -0.464 0.000 0.875 198 R HN 0.362 nan 8.270 nan 0.000 0.445 199 K N 0.121 120.437 120.400 -0.139 0.000 2.097 199 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 199 K C 1.395 177.904 176.600 -0.153 0.000 1.050 199 K CA 1.587 57.820 56.287 -0.090 0.000 0.938 199 K CB 0.167 32.610 32.500 -0.095 0.000 0.718 199 K HN 0.021 nan 8.250 nan 0.000 0.442 200 T N -0.483 113.898 114.554 -0.289 0.000 2.894 200 T HA -0.035 4.315 4.350 -0.000 0.000 0.258 200 T C 0.805 175.178 174.700 -0.544 0.000 1.043 200 T CA 0.970 62.769 62.100 -0.502 0.000 1.141 200 T CB -0.100 68.267 68.868 -0.834 0.000 0.873 200 T HN 0.240 nan 8.240 nan 0.000 0.449 201 Y N 0.733 120.992 120.300 -0.068 0.000 2.481 201 Y HA 0.486 5.036 4.550 -0.000 0.000 0.247 201 Y C 1.563 177.473 175.900 0.015 0.000 1.151 201 Y CA -0.439 57.642 58.100 -0.032 0.000 1.238 201 Y CB -0.046 38.368 38.460 -0.077 0.000 1.179 201 Y HN 0.357 nan 8.280 nan 0.000 0.524 202 G N 0.473 109.317 108.800 0.073 0.000 2.693 202 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.226 202 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.226 202 G C -0.088 174.803 174.900 -0.016 0.000 1.354 202 G CA -0.127 45.040 45.100 0.111 0.000 0.873 202 G HN 0.185 nan 8.290 nan 0.000 0.562 203 F N 0.552 120.573 119.950 0.118 0.000 2.639 203 F HA 0.260 4.786 4.527 -0.000 0.000 0.302 203 F C 1.923 177.750 175.800 0.045 0.000 1.097 203 F CA 0.309 58.370 58.000 0.101 0.000 1.294 203 F CB 0.620 39.668 39.000 0.080 0.000 1.027 203 F HN 0.320 nan 8.300 nan 0.000 0.550 204 D N -0.774 119.706 120.400 0.133 0.000 2.183 204 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 204 D C 0.465 176.597 176.300 -0.280 0.000 0.969 204 D CA 1.230 55.182 54.000 -0.080 0.000 0.842 204 D CB -0.189 40.505 40.800 -0.177 0.000 0.957 204 D HN 0.284 nan 8.370 nan 0.000 0.484 205 H N -0.230 118.792 119.070 -0.080 0.000 2.481 205 H HA 0.199 4.755 4.556 -0.000 0.000 0.339 205 H C 0.299 175.542 175.328 -0.140 0.000 1.131 205 H CA -0.368 55.585 56.048 -0.158 0.000 1.301 205 H CB 0.574 30.277 29.762 -0.099 0.000 1.476 205 H HN 0.021 nan 8.280 nan 0.000 0.529 206 H N 2.780 121.904 119.070 0.091 0.000 2.767 206 H HA 0.155 4.711 4.556 -0.000 0.000 0.316 206 H C -0.182 175.115 175.328 -0.052 0.000 1.059 206 H CA 0.039 56.101 56.048 0.024 0.000 1.461 206 H CB 0.338 29.988 29.762 -0.188 0.000 1.475 206 H HN 0.354 nan 8.280 nan 0.000 0.531 207 L N 4.934 126.235 121.223 0.130 0.000 2.333 207 L HA 0.309 4.649 4.340 -0.000 0.000 0.280 207 L C -0.640 176.235 176.870 0.008 0.000 1.004 207 L CA -0.836 54.053 54.840 0.081 0.000 0.820 207 L CB 1.401 43.595 42.059 0.224 0.000 1.247 207 L HN 0.209 nan 8.230 nan 0.000 0.416 208 L N 2.273 123.422 121.223 -0.124 0.000 2.319 208 L HA 0.597 4.937 4.340 -0.000 0.000 0.267 208 L C -0.635 176.283 176.870 0.080 0.000 1.011 208 L CA -0.564 54.122 54.840 -0.257 0.000 0.818 208 L CB 1.636 43.149 42.059 -0.910 0.000 1.316 208 L HN 0.400 nan 8.230 nan 0.000 0.432 209 H N -0.081 119.017 119.070 0.047 0.000 2.865 209 H HA 0.448 5.004 4.556 -0.000 0.000 0.362 209 H C -1.707 173.756 175.328 0.224 0.000 1.114 209 H CA -0.638 55.519 56.048 0.183 0.000 1.208 209 H CB 1.605 31.416 29.762 0.083 0.000 1.727 209 H HN 0.528 nan 8.280 nan 0.000 0.534 210 D N 2.527 122.723 120.400 -0.341 0.000 2.373 210 D HA 0.225 4.865 4.640 -0.000 0.000 0.227 210 D C 1.094 177.189 176.300 -0.342 0.000 1.091 210 D CA 0.061 53.949 54.000 -0.187 0.000 0.840 210 D CB 1.200 42.033 40.800 0.054 0.000 1.060 210 D HN 0.893 nan 8.370 nan 0.000 0.502 211 G N 2.218 110.920 108.800 -0.163 0.000 2.598 211 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 211 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 211 G C 0.886 175.691 174.900 -0.158 0.000 1.131 211 G CA -0.008 45.126 45.100 0.056 0.000 0.785 211 G HN 0.840 nan 8.290 nan 0.000 0.539 212 H N 1.049 119.788 119.070 -0.552 0.000 2.527 212 H HA -0.200 4.356 4.556 -0.000 0.000 0.321 212 H C 0.537 175.448 175.328 -0.694 0.000 1.092 212 H CA 1.229 56.764 56.048 -0.856 0.000 1.118 212 H CB -1.445 27.683 29.762 -1.056 0.000 1.536 212 H HN 0.773 nan 8.280 nan 0.000 0.407 213 H N -1.949 116.903 119.070 -0.363 0.000 3.179 213 H HA -0.197 4.359 4.556 -0.000 0.000 0.250 213 H C 1.543 176.660 175.328 -0.352 0.000 1.142 213 H CA 1.165 57.026 56.048 -0.312 0.000 1.165 213 H CB -0.759 28.793 29.762 -0.350 0.000 1.253 213 H HN 0.461 nan 8.280 nan 0.000 0.325 214 R N 0.249 120.519 120.500 -0.384 0.000 2.193 214 R HA 0.077 4.416 4.340 -0.000 0.000 0.213 214 R C 0.511 176.694 176.300 -0.194 0.000 1.055 214 R CA 0.693 56.468 56.100 -0.542 0.000 0.995 214 R CB -0.029 29.400 30.300 -1.451 0.000 0.893 214 R HN 0.321 nan 8.270 nan 0.000 0.459 215 Y N 0.168 120.562 120.300 0.156 0.000 2.453 215 Y HA 0.243 4.793 4.550 -0.000 0.000 0.326 215 Y C 1.240 177.227 175.900 0.145 0.000 1.186 215 Y CA -1.032 57.200 58.100 0.221 0.000 1.200 215 Y CB 0.717 39.263 38.460 0.144 0.000 1.247 215 Y HN -0.132 nan 8.280 nan 0.000 0.482 216 T N -1.967 112.792 114.554 0.341 0.000 2.847 216 T HA 0.234 4.584 4.350 -0.000 0.000 0.279 216 T C -2.131 172.644 174.700 0.125 0.000 0.984 216 T CA -1.864 60.358 62.100 0.204 0.000 0.988 216 T CB 1.281 70.270 68.868 0.201 0.000 1.040 216 T HN 0.307 nan 8.240 nan 0.000 0.528 217 P HA -0.159 nan 4.420 nan 0.000 0.215 217 P C 1.872 179.172 177.300 0.001 0.000 1.157 217 P CA 0.880 63.981 63.100 0.003 0.000 0.868 217 P CB 0.009 31.724 31.700 0.024 0.000 0.788 218 Q N 0.532 120.348 119.800 0.026 0.000 2.124 218 Q HA -0.220 4.119 4.340 -0.000 0.000 0.202 218 Q C 1.810 177.803 176.000 -0.012 0.000 0.977 218 Q CA 1.839 57.638 55.803 -0.007 0.000 0.850 218 Q CB -0.454 28.286 28.738 0.003 0.000 0.901 218 Q HN 0.350 nan 8.270 nan 0.000 0.429 219 E N 0.068 120.301 120.200 0.055 0.000 2.106 219 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 219 E C 1.921 178.485 176.600 -0.059 0.000 0.984 219 E CA 0.890 57.333 56.400 0.073 0.000 0.806 219 E CB -0.086 29.776 29.700 0.270 0.000 0.750 219 E HN 0.464 nan 8.360 nan 0.000 0.458 220 A N 1.436 124.218 122.820 -0.063 0.000 1.930 220 A HA -0.042 4.277 4.320 -0.000 0.000 0.217 220 A C 2.364 179.847 177.584 -0.169 0.000 1.175 220 A CA 1.444 53.367 52.037 -0.190 0.000 0.627 220 A CB -0.479 18.415 19.000 -0.177 0.000 0.815 220 A HN 0.281 nan 8.150 nan 0.000 0.443 221 A N 0.525 123.278 122.820 -0.111 0.000 1.898 221 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 221 A C 2.018 179.546 177.584 -0.094 0.000 1.181 221 A CA 2.020 54.010 52.037 -0.078 0.000 0.620 221 A CB -0.671 18.292 19.000 -0.061 0.000 0.819 221 A HN 0.586 nan 8.150 nan 0.000 0.442 222 N N 0.171 118.806 118.700 -0.108 0.000 2.043 222 N HA -0.161 4.579 4.740 -0.000 0.000 0.193 222 N C 1.605 177.059 175.510 -0.093 0.000 1.037 222 N CA 1.901 54.897 53.050 -0.091 0.000 0.851 222 N CB -0.557 37.891 38.487 -0.067 0.000 1.027 222 N HN 0.302 nan 8.380 nan 0.000 0.422 223 L N 0.546 121.681 121.223 -0.146 0.000 2.046 223 L HA 0.077 4.416 4.340 -0.000 0.000 0.208 223 L C 2.166 178.961 176.870 -0.125 0.000 1.077 223 L CA 2.234 56.973 54.840 -0.169 0.000 0.747 223 L CB -1.300 40.544 42.059 -0.359 0.000 0.896 223 L HN 0.278 nan 8.230 nan 0.000 0.432 224 G N -0.696 108.027 108.800 -0.128 0.000 2.446 224 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 224 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 224 G C 1.692 176.555 174.900 -0.063 0.000 1.168 224 G CA 0.986 46.031 45.100 -0.092 0.000 0.771 224 G HN 0.439 nan 8.290 nan 0.000 0.551 225 K N -0.365 120.004 120.400 -0.052 0.000 2.057 225 K HA 0.091 4.410 4.320 -0.000 0.000 0.206 225 K C 2.621 179.194 176.600 -0.046 0.000 1.050 225 K CA 1.080 57.343 56.287 -0.040 0.000 0.935 225 K CB -0.221 32.262 32.500 -0.028 0.000 0.715 225 K HN 0.278 nan 8.250 nan 0.000 0.439 226 M N 0.559 120.139 119.600 -0.034 0.000 2.374 226 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 226 M C 1.676 177.993 176.300 0.029 0.000 1.067 226 M CA 1.278 56.578 55.300 -0.000 0.000 1.103 226 M CB -0.074 32.540 32.600 0.023 0.000 1.402 226 M HN 0.134 nan 8.290 nan 0.000 0.444 227 L N -0.979 120.245 121.223 0.001 0.000 2.529 227 L HA -0.014 4.325 4.340 -0.000 0.000 0.223 227 L C 1.916 178.750 176.870 -0.061 0.000 1.113 227 L CA 0.161 55.028 54.840 0.044 0.000 0.861 227 L CB -0.323 41.697 42.059 -0.066 0.000 1.012 227 L HN 0.268 nan 8.230 nan 0.000 0.461 228 E N 0.827 120.962 120.200 -0.109 0.000 2.097 228 E HA -0.232 4.117 4.350 -0.000 0.000 0.196 228 E C -0.641 175.848 176.600 -0.186 0.000 1.000 228 E CA 1.417 57.749 56.400 -0.114 0.000 0.804 228 E CB -0.796 28.851 29.700 -0.090 0.000 0.740 228 E HN 0.444 nan 8.360 nan 0.000 0.454 229 P HA -0.151 nan 4.420 nan 0.000 0.221 229 P C 0.224 177.315 177.300 -0.349 0.000 1.145 229 P CA 1.133 63.944 63.100 -0.480 0.000 0.795 229 P CB -0.015 31.238 31.700 -0.744 0.000 0.775 230 Y N -1.240 119.178 120.300 0.196 0.000 2.457 230 Y HA 0.170 4.720 4.550 -0.000 0.000 0.263 230 Y C 0.773 176.835 175.900 0.270 0.000 1.164 230 Y CA -0.613 57.633 58.100 0.244 0.000 1.274 230 Y CB -0.975 37.561 38.460 0.127 0.000 1.097 230 Y HN -0.132 nan 8.280 nan 0.000 0.523 231 Q N 0.333 120.303 119.800 0.284 0.000 2.437 231 Q HA -0.205 4.135 4.340 -0.000 0.000 0.354 231 Q C -0.782 175.340 176.000 0.202 0.000 1.402 231 Q CA 0.391 56.340 55.803 0.243 0.000 1.020 231 Q CB -1.628 27.333 28.738 0.372 0.000 1.220 231 Q HN 0.403 nan 8.270 nan 0.000 0.368 232 L N -0.188 121.097 121.223 0.103 0.000 2.452 232 L HA 0.136 4.476 4.340 -0.000 0.000 0.267 232 L C 1.603 178.548 176.870 0.124 0.000 1.188 232 L CA 0.433 55.312 54.840 0.064 0.000 0.821 232 L CB -0.028 41.973 42.059 -0.096 0.000 1.102 232 L HN 0.373 nan 8.230 nan 0.000 0.470 233 F N 1.690 121.616 119.950 -0.040 0.000 2.146 233 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 233 F C 0.092 175.915 175.800 0.037 0.000 1.096 233 F CA 0.951 58.896 58.000 -0.092 0.000 1.275 233 F CB 0.263 39.042 39.000 -0.369 0.000 1.008 233 F HN 0.522 nan 8.300 nan 0.000 0.480 234 W N -0.225 121.095 121.300 0.034 0.000 3.173 234 W HA 0.468 5.127 4.660 -0.000 0.000 0.313 234 W C -2.715 173.774 176.519 -0.049 0.000 1.228 234 W CA -2.385 54.940 57.345 -0.034 0.000 1.185 234 W CB -0.070 29.353 29.460 -0.062 0.000 1.390 234 W HN -0.088 nan 8.180 nan 0.000 0.568 235 L N 3.054 124.464 121.223 0.310 0.000 2.319 235 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 235 L C -0.139 176.738 176.870 0.011 0.000 1.005 235 L CA -0.622 54.317 54.840 0.164 0.000 0.828 235 L CB 1.243 43.321 42.059 0.033 0.000 1.227 235 L HN 0.604 nan 8.230 nan 0.000 0.415 236 E N 3.252 123.426 120.200 -0.043 0.000 2.242 236 E HA 0.228 4.578 4.350 -0.000 0.000 0.275 236 E C -0.640 175.802 176.600 -0.265 0.000 1.002 236 E CA -0.485 55.732 56.400 -0.304 0.000 0.841 236 E CB 0.922 30.421 29.700 -0.334 0.000 1.109 236 E HN 0.711 nan 8.360 nan 0.000 0.394 237 D N 2.408 122.638 120.400 -0.283 0.000 2.706 237 D HA -0.227 4.413 4.640 -0.000 0.000 0.230 237 D C 1.184 177.318 176.300 -0.276 0.000 1.184 237 D CA 0.987 54.788 54.000 -0.331 0.000 0.628 237 D CB -1.840 38.450 40.800 -0.849 0.000 1.019 237 D HN 0.579 nan 8.370 nan 0.000 0.415 238 C N -2.591 116.615 119.300 -0.156 0.000 2.422 238 C HA 0.046 4.506 4.460 -0.000 0.000 0.279 238 C C 1.258 176.228 174.990 -0.033 0.000 1.305 238 C CA 0.809 59.761 59.018 -0.111 0.000 1.757 238 C CB -0.420 27.175 27.740 -0.240 0.000 1.962 238 C HN 0.559 nan 8.230 nan 0.000 0.499 239 T N -0.385 114.121 114.554 -0.080 0.000 2.894 239 T HA 0.548 4.898 4.350 -0.000 0.000 0.309 239 T C -3.174 171.619 174.700 0.154 0.000 1.208 239 T CA -0.725 61.387 62.100 0.020 0.000 1.016 239 T CB 1.526 70.374 68.868 -0.033 0.000 1.192 239 T HN -0.027 nan 8.240 nan 0.000 0.491 240 P HA 0.277 nan 4.420 nan 0.000 0.264 240 P C -0.765 176.645 177.300 0.183 0.000 1.183 240 P CA 0.084 63.246 63.100 0.104 0.000 0.763 240 P CB 0.462 32.132 31.700 -0.050 0.000 0.807 241 A N 2.917 125.860 122.820 0.207 0.000 2.594 241 A HA 0.141 4.461 4.320 -0.000 0.000 0.287 241 A C 1.343 178.990 177.584 0.105 0.000 1.227 241 A CA -0.100 52.061 52.037 0.206 0.000 0.952 241 A CB -0.447 18.695 19.000 0.237 0.000 1.161 241 A HN 0.428 nan 8.150 nan 0.000 0.524 242 E N 0.701 120.936 120.200 0.058 0.000 2.153 242 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 242 E C 0.846 177.438 176.600 -0.013 0.000 0.988 242 E CA 0.836 57.237 56.400 0.000 0.000 0.811 242 E CB 0.007 29.702 29.700 -0.009 0.000 0.746 242 E HN 0.557 nan 8.360 nan 0.000 0.466 243 N N 1.045 119.755 118.700 0.017 0.000 2.462 243 N HA 0.015 4.755 4.740 -0.000 0.000 0.242 243 N C -0.087 175.441 175.510 0.031 0.000 1.010 243 N CA 0.115 53.176 53.050 0.018 0.000 0.939 243 N CB 0.739 39.246 38.487 0.032 0.000 1.127 243 N HN 0.069 nan 8.380 nan 0.000 0.509 244 Q N 1.664 121.459 119.800 -0.008 0.000 2.500 244 Q HA -0.068 4.272 4.340 -0.000 0.000 0.213 244 Q C 0.339 176.353 176.000 0.023 0.000 0.974 244 Q CA 0.934 56.723 55.803 -0.024 0.000 0.918 244 Q CB 0.309 29.002 28.738 -0.074 0.000 0.980 244 Q HN 0.699 nan 8.270 nan 0.000 0.505 245 E N 0.137 120.364 120.200 0.045 0.000 2.481 245 E HA -0.014 4.335 4.350 -0.000 0.000 0.195 245 E C 1.732 178.401 176.600 0.114 0.000 1.047 245 E CA 0.335 56.772 56.400 0.062 0.000 0.867 245 E CB 0.119 29.844 29.700 0.042 0.000 0.858 245 E HN 0.308 nan 8.360 nan 0.000 0.513 246 A N 0.753 123.668 122.820 0.158 0.000 2.024 246 A HA -0.165 4.154 4.320 -0.000 0.000 0.220 246 A C 1.521 179.261 177.584 0.260 0.000 1.164 246 A CA 1.071 53.229 52.037 0.201 0.000 0.643 246 A CB -0.438 18.701 19.000 0.232 0.000 0.806 246 A HN 0.171 nan 8.150 nan 0.000 0.451 247 F N -0.659 119.300 119.950 0.014 0.000 2.789 247 F HA 0.165 4.691 4.527 -0.000 0.000 0.300 247 F C 2.048 177.850 175.800 0.004 0.000 1.132 247 F CA 0.202 58.206 58.000 0.006 0.000 1.404 247 F CB -0.332 38.664 39.000 -0.007 0.000 1.114 247 F HN 0.231 nan 8.300 nan 0.000 0.584 248 R N 0.511 121.107 120.500 0.159 0.000 2.080 248 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 248 R C 2.040 178.376 176.300 0.060 0.000 1.137 248 R CA 1.647 57.798 56.100 0.085 0.000 0.943 248 R CB -0.500 29.835 30.300 0.059 0.000 0.846 248 R HN 0.284 nan 8.270 nan 0.000 0.431 249 L N 0.180 121.444 121.223 0.069 0.000 2.083 249 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 249 L C 2.373 179.314 176.870 0.118 0.000 1.083 249 L CA 0.843 55.748 54.840 0.108 0.000 0.752 249 L CB -0.267 41.855 42.059 0.106 0.000 0.899 249 L HN 0.128 nan 8.230 nan 0.000 0.433 250 V N -0.388 119.538 119.914 0.020 0.000 2.261 250 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 250 V C 2.610 178.705 176.094 0.002 0.000 1.047 250 V CA 1.775 64.053 62.300 -0.035 0.000 1.015 250 V CB -0.638 31.055 31.823 -0.215 0.000 0.642 250 V HN 0.369 nan 8.190 nan 0.000 0.446 251 R N 0.451 120.957 120.500 0.011 0.000 2.120 251 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 251 R C 2.327 178.616 176.300 -0.019 0.000 1.123 251 R CA 1.858 57.966 56.100 0.013 0.000 0.975 251 R CB -0.685 29.638 30.300 0.038 0.000 0.866 251 R HN 0.690 nan 8.270 nan 0.000 0.446 252 Q N -1.357 118.418 119.800 -0.041 0.000 2.230 252 Q HA -0.146 4.193 4.340 -0.000 0.000 0.202 252 Q C 0.796 176.640 176.000 -0.260 0.000 0.963 252 Q CA 1.593 57.305 55.803 -0.151 0.000 0.866 252 Q CB 0.078 28.697 28.738 -0.199 0.000 0.931 252 Q HN 0.603 nan 8.270 nan 0.000 0.452 253 H N -1.528 117.526 119.070 -0.026 0.000 2.740 253 H HA 0.232 4.788 4.556 -0.000 0.000 0.265 253 H C -0.355 174.951 175.328 -0.037 0.000 0.978 253 H CA 0.626 56.656 56.048 -0.030 0.000 1.198 253 H CB 1.298 31.041 29.762 -0.031 0.000 1.467 253 H HN 0.002 nan 8.280 nan 0.000 0.511 254 T N -0.252 114.334 114.554 0.053 0.000 2.903 254 T HA 0.315 4.665 4.350 -0.000 0.000 0.299 254 T C 0.499 175.194 174.700 -0.009 0.000 1.093 254 T CA -0.620 61.488 62.100 0.013 0.000 1.002 254 T CB 1.457 70.321 68.868 -0.006 0.000 1.127 254 T HN 0.012 nan 8.240 nan 0.000 0.488 255 V N 0.781 120.685 119.914 -0.016 0.000 3.483 255 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 255 V C 0.848 176.933 176.094 -0.014 0.000 1.389 255 V CA -0.209 62.080 62.300 -0.018 0.000 1.101 255 V CB -0.492 31.318 31.823 -0.023 0.000 0.971 255 V HN 0.797 nan 8.190 nan 0.000 0.434 256 T N 4.376 118.921 114.554 -0.015 0.000 2.870 256 T HA 0.306 4.656 4.350 -0.000 0.000 0.300 256 T C -2.316 172.392 174.700 0.013 0.000 0.989 256 T CA -0.148 61.947 62.100 -0.007 0.000 1.139 256 T CB 0.957 69.809 68.868 -0.026 0.000 0.920 256 T HN 0.358 nan 8.240 nan 0.000 0.537 257 P HA 0.207 nan 4.420 nan 0.000 0.268 257 P C -0.752 176.618 177.300 0.118 0.000 1.205 257 P CA -0.097 63.050 63.100 0.078 0.000 0.771 257 P CB 0.442 32.213 31.700 0.118 0.000 0.858 258 L N 1.763 123.047 121.223 0.101 0.000 2.346 258 L HA 0.828 5.168 4.340 -0.000 0.000 0.274 258 L C 0.077 176.968 176.870 0.035 0.000 1.007 258 L CA -0.863 54.027 54.840 0.084 0.000 0.818 258 L CB 2.029 44.171 42.059 0.139 0.000 1.284 258 L HN 0.345 nan 8.230 nan 0.000 0.424 259 A N 2.273 124.993 122.820 -0.168 0.000 2.454 259 A HA 0.931 5.251 4.320 -0.000 0.000 0.302 259 A C -1.359 175.996 177.584 -0.380 0.000 1.079 259 A CA -0.634 51.131 52.037 -0.453 0.000 0.731 259 A CB 2.397 20.555 19.000 -1.404 0.000 1.299 259 A HN 0.485 nan 8.150 nan 0.000 0.413 260 V N -0.084 119.576 119.914 -0.423 0.000 3.236 260 V HA 0.690 4.810 4.120 -0.000 0.000 0.287 260 V C 0.444 176.143 176.094 -0.658 0.000 1.491 260 V CA 0.782 62.797 62.300 -0.474 0.000 1.037 260 V CB 1.964 33.519 31.823 -0.447 0.000 1.160 260 V HN 2.596 nan 8.190 nan 0.000 0.453 261 G N 2.668 110.867 108.800 -1.001 0.000 2.318 261 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.172 261 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.172 261 G C 0.580 175.078 174.900 -0.669 0.000 1.002 261 G CA 0.919 45.243 45.100 -1.292 0.000 0.697 261 G HN 1.366 nan 8.290 nan 0.000 0.483 262 E N 1.002 120.915 120.200 -0.477 0.000 2.160 262 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 262 E C 2.347 178.794 176.600 -0.255 0.000 0.991 262 E CA 1.470 57.651 56.400 -0.364 0.000 0.810 262 E CB -0.424 28.892 29.700 -0.641 0.000 0.742 262 E HN 0.958 nan 8.360 nan 0.000 0.466 263 I N -2.077 118.352 120.570 -0.235 0.000 3.812 263 I HA 0.227 4.396 4.170 -0.000 0.000 0.320 263 I C -0.165 176.050 176.117 0.163 0.000 1.276 263 I CA -0.647 60.626 61.300 -0.045 0.000 1.164 263 I CB -0.114 37.857 38.000 -0.050 0.000 1.009 263 I HN -0.224 nan 8.210 nan 0.000 0.431 264 F N 3.628 123.557 119.950 -0.034 0.000 2.410 264 F HA 0.220 4.747 4.527 -0.000 0.000 0.334 264 F C 1.185 177.001 175.800 0.028 0.000 1.134 264 F CA -1.113 56.883 58.000 -0.008 0.000 1.227 264 F CB 0.498 39.484 39.000 -0.023 0.000 1.194 264 F HN 0.263 nan 8.300 nan 0.000 0.571 265 N N -2.072 116.766 118.700 0.231 0.000 2.145 265 N HA 0.111 4.850 4.740 -0.000 0.000 0.219 265 N C -0.401 175.221 175.510 0.186 0.000 1.266 265 N CA 0.080 53.235 53.050 0.175 0.000 0.902 265 N CB 0.622 39.181 38.487 0.121 0.000 1.078 265 N HN 0.481 nan 8.380 nan 0.000 0.513 266 T N -3.696 110.969 114.554 0.185 0.000 2.843 266 T HA 0.333 4.683 4.350 -0.000 0.000 0.302 266 T C 0.376 175.146 174.700 0.118 0.000 1.232 266 T CA -0.940 61.299 62.100 0.233 0.000 1.009 266 T CB 1.006 70.027 68.868 0.255 0.000 1.254 266 T HN 0.008 nan 8.240 nan 0.000 0.504 267 I N -0.099 120.506 120.570 0.058 0.000 2.567 267 I HA 0.020 4.190 4.170 -0.000 0.000 0.257 267 I C 1.307 177.211 176.117 -0.355 0.000 1.184 267 I CA 0.965 62.068 61.300 -0.328 0.000 1.451 267 I CB -0.015 37.599 38.000 -0.643 0.000 1.089 267 I HN 0.768 nan 8.210 nan 0.000 0.441 268 W N 0.685 122.010 121.300 0.042 0.000 2.525 268 W HA -0.128 4.532 4.660 -0.000 0.000 0.259 268 W C 1.812 178.240 176.519 -0.152 0.000 1.253 268 W CA 0.007 57.335 57.345 -0.029 0.000 1.262 268 W CB -0.293 29.177 29.460 0.017 0.000 1.122 268 W HN 0.142 nan 8.180 nan 0.000 0.607 269 D N -0.324 120.005 120.400 -0.118 0.000 2.323 269 D HA 0.022 4.662 4.640 -0.000 0.000 0.209 269 D C 1.780 177.640 176.300 -0.733 0.000 0.973 269 D CA 1.083 54.764 54.000 -0.531 0.000 0.874 269 D CB 0.041 40.278 40.800 -0.938 0.000 0.930 269 D HN 0.203 nan 8.370 nan 0.000 0.521 270 A N 0.463 123.058 122.820 -0.375 0.000 2.551 270 A HA 0.040 4.360 4.320 -0.000 0.000 0.252 270 A C 1.819 179.327 177.584 -0.126 0.000 1.199 270 A CA -0.081 51.830 52.037 -0.210 0.000 0.972 270 A CB 0.152 19.151 19.000 -0.001 0.000 1.153 270 A HN 0.127 nan 8.150 nan 0.000 0.559 271 K N 0.430 120.768 120.400 -0.105 0.000 2.074 271 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 271 K C 0.642 177.195 176.600 -0.078 0.000 1.048 271 K CA 1.991 58.235 56.287 -0.071 0.000 0.926 271 K CB -0.350 32.152 32.500 0.004 0.000 0.713 271 K HN 0.188 nan 8.250 nan 0.000 0.444 272 D N 1.089 121.444 120.400 -0.075 0.000 2.162 272 D HA -0.014 4.626 4.640 -0.000 0.000 0.203 272 D C 2.112 178.335 176.300 -0.129 0.000 0.967 272 D CA 0.775 54.721 54.000 -0.089 0.000 0.840 272 D CB -0.157 40.608 40.800 -0.058 0.000 0.972 272 D HN 0.171 nan 8.370 nan 0.000 0.482 273 L N 0.387 121.527 121.223 -0.139 0.000 2.083 273 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 273 L C 2.349 179.114 176.870 -0.176 0.000 1.083 273 L CA 0.798 55.538 54.840 -0.168 0.000 0.752 273 L CB -0.189 41.742 42.059 -0.212 0.000 0.899 273 L HN 0.029 nan 8.230 nan 0.000 0.433 274 I N -1.098 119.368 120.570 -0.173 0.000 2.235 274 I HA -0.231 3.939 4.170 -0.000 0.000 0.241 274 I C 2.520 178.370 176.117 -0.444 0.000 1.085 274 I CA 1.019 62.197 61.300 -0.204 0.000 1.378 274 I CB -0.260 37.675 38.000 -0.108 0.000 1.076 274 I HN 0.243 nan 8.210 nan 0.000 0.415 275 Q N 0.647 120.176 119.800 -0.452 0.000 2.170 275 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 275 Q C 1.220 176.818 176.000 -0.669 0.000 0.976 275 Q CA 1.063 56.412 55.803 -0.756 0.000 0.858 275 Q CB -0.161 28.405 28.738 -0.287 0.000 0.907 275 Q HN 0.461 nan 8.270 nan 0.000 0.433 276 N N 0.804 119.287 118.700 -0.363 0.000 2.383 276 N HA -0.008 4.732 4.740 -0.000 0.000 0.192 276 N C -0.639 174.747 175.510 -0.206 0.000 1.141 276 N CA 0.229 53.142 53.050 -0.228 0.000 0.851 276 N CB 0.455 38.868 38.487 -0.123 0.000 0.976 276 N HN 0.219 nan 8.380 nan 0.000 0.465 277 Q N 0.048 119.671 119.800 -0.296 0.000 2.443 277 Q HA -0.172 4.168 4.340 -0.000 0.000 0.337 277 Q C 0.216 176.164 176.000 -0.087 0.000 1.401 277 Q CA 0.261 55.958 55.803 -0.177 0.000 0.943 277 Q CB -1.654 27.022 28.738 -0.104 0.000 1.177 277 Q HN 0.436 nan 8.270 nan 0.000 0.394 278 L N -0.248 120.930 121.223 -0.074 0.000 2.616 278 L HA 0.328 4.667 4.340 -0.000 0.000 0.229 278 L C 0.952 177.864 176.870 0.069 0.000 1.110 278 L CA 0.256 55.110 54.840 0.022 0.000 0.884 278 L CB 0.208 42.298 42.059 0.052 0.000 1.115 278 L HN 0.407 nan 8.230 nan 0.000 0.481 279 I N -5.716 114.838 120.570 -0.028 0.000 2.969 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.307 279 I C -0.489 175.571 176.117 -0.095 0.000 1.149 279 I CA -0.744 60.537 61.300 -0.031 0.000 1.008 279 I CB 2.300 40.235 38.000 -0.109 0.000 1.232 279 I HN -0.222 nan 8.210 nan 0.000 0.435 280 D N 1.398 121.725 120.400 -0.122 0.000 2.422 280 D HA 0.134 4.774 4.640 -0.000 0.000 0.218 280 D C -0.758 175.194 176.300 -0.580 0.000 1.047 280 D CA 1.262 55.062 54.000 -0.332 0.000 0.885 280 D CB 0.595 41.195 40.800 -0.334 0.000 1.035 280 D HN 0.457 nan 8.370 nan 0.000 0.502 281 Y N 0.287 120.515 120.300 -0.120 0.000 2.406 281 Y HA 0.371 4.921 4.550 -0.000 0.000 0.340 281 Y C -0.518 175.262 175.900 -0.200 0.000 0.975 281 Y CA -1.144 56.880 58.100 -0.127 0.000 1.056 281 Y CB 2.038 40.440 38.460 -0.096 0.000 1.210 281 Y HN -0.266 nan 8.280 nan 0.000 0.448 282 I N 4.125 124.703 120.570 0.013 0.000 2.321 282 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 282 I C 0.510 176.609 176.117 -0.029 0.000 0.998 282 I CA -0.432 60.842 61.300 -0.042 0.000 1.227 282 I CB 0.785 38.786 38.000 0.002 0.000 1.368 282 I HN 0.611 nan 8.210 nan 0.000 0.466 283 R N 5.817 126.235 120.500 -0.137 0.000 2.317 283 R HA 0.350 4.690 4.340 -0.000 0.000 0.208 283 R C 0.465 176.748 176.300 -0.028 0.000 0.914 283 R CA 0.053 56.098 56.100 -0.092 0.000 1.060 283 R CB -0.362 29.805 30.300 -0.220 0.000 1.015 283 R HN 0.702 nan 8.270 nan 0.000 0.498 284 A N 1.908 124.715 122.820 -0.022 0.000 2.555 284 A HA 0.153 4.473 4.320 -0.000 0.000 0.233 284 A C 0.761 178.365 177.584 0.033 0.000 1.060 284 A CA 0.371 52.425 52.037 0.029 0.000 0.759 284 A CB 0.166 19.211 19.000 0.076 0.000 0.995 284 A HN 0.342 nan 8.150 nan 0.000 0.506 285 T N -1.482 113.101 114.554 0.048 0.000 2.940 285 T HA 0.480 4.830 4.350 -0.000 0.000 0.288 285 T C 0.924 175.609 174.700 -0.024 0.000 1.045 285 T CA -0.124 61.987 62.100 0.019 0.000 1.018 285 T CB 0.989 69.916 68.868 0.098 0.000 1.151 285 T HN 0.430 nan 8.240 nan 0.000 0.529 286 V N 0.892 120.762 119.914 -0.073 0.000 2.407 286 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 286 V C 2.590 178.709 176.094 0.043 0.000 1.055 286 V CA 1.723 63.989 62.300 -0.056 0.000 1.049 286 V CB -0.592 31.190 31.823 -0.068 0.000 0.662 286 V HN 0.756 nan 8.190 nan 0.000 0.455 287 V N 0.488 120.434 119.914 0.054 0.000 2.649 287 V HA 0.040 4.160 4.120 -0.000 0.000 0.248 287 V C 2.299 178.451 176.094 0.097 0.000 1.054 287 V CA 1.977 64.326 62.300 0.080 0.000 1.073 287 V CB -0.008 31.860 31.823 0.076 0.000 0.699 287 V HN 0.535 nan 8.190 nan 0.000 0.463 288 G N -0.656 108.207 108.800 0.105 0.000 2.430 288 G HA2 0.102 4.062 3.960 -0.000 0.000 0.216 288 G HA3 0.102 4.062 3.960 -0.000 0.000 0.216 288 G C 1.021 175.996 174.900 0.125 0.000 1.146 288 G CA 0.674 45.841 45.100 0.112 0.000 0.793 288 G HN 0.759 nan 8.290 nan 0.000 0.537 289 A N -0.218 122.686 122.820 0.140 0.000 2.911 289 A HA 0.573 4.893 4.320 -0.000 0.000 0.304 289 A C 1.317 179.067 177.584 0.277 0.000 1.144 289 A CA 0.611 52.770 52.037 0.203 0.000 0.988 289 A CB -0.623 18.502 19.000 0.210 0.000 1.141 289 A HN 1.496 nan 8.150 nan 0.000 0.552 290 G N -0.762 108.180 108.800 0.237 0.000 2.182 290 G HA2 0.225 4.185 3.960 -0.000 0.000 0.248 290 G HA3 0.225 4.185 3.960 -0.000 0.000 0.248 290 G C 1.388 176.565 174.900 0.461 0.000 1.042 290 G CA 0.508 45.827 45.100 0.365 0.000 0.775 290 G HN 2.570 nan 8.290 nan 0.000 0.501 291 G N -1.661 107.305 108.800 0.277 0.000 2.741 291 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.222 291 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.222 291 G C 0.677 175.658 174.900 0.135 0.000 1.364 291 G CA -0.154 45.092 45.100 0.243 0.000 0.866 291 G HN 0.996 nan 8.290 nan 0.000 0.555 292 L N 0.339 121.620 121.223 0.096 0.000 2.083 292 L HA -0.055 4.284 4.340 -0.000 0.000 0.209 292 L C 3.276 180.121 176.870 -0.042 0.000 1.083 292 L CA 2.950 57.737 54.840 -0.089 0.000 0.752 292 L CB -2.170 39.633 42.059 -0.427 0.000 0.899 292 L HN 0.818 nan 8.230 nan 0.000 0.433 293 T N -1.627 113.005 114.554 0.130 0.000 2.665 293 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 293 T C 1.928 176.511 174.700 -0.194 0.000 1.035 293 T CA 1.993 64.100 62.100 0.011 0.000 1.151 293 T CB -0.248 68.562 68.868 -0.096 0.000 0.862 293 T HN 0.370 nan 8.240 nan 0.000 0.438 294 H N -0.083 118.831 119.070 -0.259 0.000 2.415 294 H HA 0.234 4.790 4.556 -0.000 0.000 0.297 294 H C 1.900 177.155 175.328 -0.122 0.000 1.048 294 H CA 0.574 56.470 56.048 -0.252 0.000 1.365 294 H CB -0.390 29.360 29.762 -0.020 0.000 1.421 294 H HN 0.121 nan 8.280 nan 0.000 0.533 295 L N 0.818 121.997 121.223 -0.074 0.000 2.131 295 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 295 L C 2.488 179.340 176.870 -0.030 0.000 1.092 295 L CA 1.587 56.333 54.840 -0.157 0.000 0.759 295 L CB -0.583 41.255 42.059 -0.369 0.000 0.903 295 L HN 0.196 nan 8.230 nan 0.000 0.435 296 R N -0.766 119.780 120.500 0.077 0.000 2.091 296 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 296 R C 2.397 178.750 176.300 0.088 0.000 1.136 296 R CA 1.643 57.903 56.100 0.268 0.000 0.959 296 R CB -0.128 30.257 30.300 0.141 0.000 0.856 296 R HN 0.312 nan 8.270 nan 0.000 0.437 297 R N -0.066 120.363 120.500 -0.119 0.000 2.092 297 R HA -0.024 4.316 4.340 -0.000 0.000 0.231 297 R C 2.292 178.468 176.300 -0.206 0.000 1.119 297 R CA 1.535 57.514 56.100 -0.202 0.000 0.970 297 R CB -0.215 29.864 30.300 -0.368 0.000 0.864 297 R HN 0.288 nan 8.270 nan 0.000 0.440 298 I N 0.306 120.726 120.570 -0.250 0.000 2.202 298 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 298 I C 2.517 178.614 176.117 -0.034 0.000 1.091 298 I CA 1.234 62.431 61.300 -0.173 0.000 1.368 298 I CB -0.391 37.516 38.000 -0.154 0.000 1.058 298 I HN 0.202 nan 8.210 nan 0.000 0.410 299 A N 0.403 123.263 122.820 0.068 0.000 1.933 299 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 299 A C 1.959 179.567 177.584 0.040 0.000 1.175 299 A CA 1.963 54.074 52.037 0.122 0.000 0.628 299 A CB -0.539 18.645 19.000 0.307 0.000 0.814 299 A HN 0.343 nan 8.150 nan 0.000 0.444 300 D N -0.504 119.919 120.400 0.037 0.000 2.144 300 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 300 D C 1.854 178.146 176.300 -0.013 0.000 0.978 300 D CA 1.202 55.207 54.000 0.009 0.000 0.833 300 D CB -0.335 40.480 40.800 0.025 0.000 0.961 300 D HN 0.357 nan 8.370 nan 0.000 0.470 301 L N 1.054 122.265 121.223 -0.021 0.000 2.046 301 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 301 L C 2.143 179.046 176.870 0.055 0.000 1.077 301 L CA 1.745 56.586 54.840 0.003 0.000 0.747 301 L CB -0.775 41.263 42.059 -0.035 0.000 0.896 301 L HN -0.043 nan 8.230 nan 0.000 0.432 302 A N -0.680 122.155 122.820 0.026 0.000 1.908 302 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 302 A C 2.502 180.101 177.584 0.025 0.000 1.181 302 A CA 2.271 54.330 52.037 0.036 0.000 0.627 302 A CB -1.280 17.722 19.000 0.004 0.000 0.818 302 A HN 0.690 nan 8.150 nan 0.000 0.445 303 S N 0.202 115.891 115.700 -0.018 0.000 2.400 303 S HA -0.144 4.326 4.470 -0.000 0.000 0.232 303 S C 1.817 176.366 174.600 -0.086 0.000 1.025 303 S CA 1.522 59.687 58.200 -0.059 0.000 0.993 303 S CB -0.840 62.314 63.200 -0.077 0.000 0.808 303 S HN 0.476 nan 8.310 nan 0.000 0.478 304 L N -1.101 120.061 121.223 -0.103 0.000 2.187 304 L HA -0.043 4.296 4.340 -0.000 0.000 0.213 304 L C 1.425 178.011 176.870 -0.472 0.000 1.100 304 L CA 1.294 55.967 54.840 -0.278 0.000 0.765 304 L CB -0.470 41.392 42.059 -0.329 0.000 0.904 304 L HN 0.381 nan 8.230 nan 0.000 0.437 305 Y N -0.969 119.291 120.300 -0.066 0.000 2.636 305 Y HA 0.168 4.718 4.550 -0.000 0.000 0.260 305 Y C 0.727 176.572 175.900 -0.091 0.000 1.177 305 Y CA -0.587 57.471 58.100 -0.071 0.000 1.209 305 Y CB 0.090 38.509 38.460 -0.068 0.000 1.166 305 Y HN 0.113 nan 8.280 nan 0.000 0.531 306 Q N -0.946 118.840 119.800 -0.023 0.000 2.481 306 Q HA -0.176 4.164 4.340 -0.000 0.000 0.258 306 Q C -0.417 175.521 176.000 -0.105 0.000 0.961 306 Q CA 0.485 56.247 55.803 -0.069 0.000 1.121 306 Q CB -1.863 26.831 28.738 -0.072 0.000 1.503 306 Q HN 0.179 nan 8.270 nan 0.000 0.544 307 V N 0.926 120.795 119.914 -0.075 0.000 2.583 307 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 307 V C 0.793 176.798 176.094 -0.149 0.000 1.051 307 V CA 0.206 62.422 62.300 -0.141 0.000 1.010 307 V CB 1.395 33.172 31.823 -0.077 0.000 0.988 307 V HN 0.176 nan 8.190 nan 0.000 0.478 308 R N 1.650 122.007 120.500 -0.238 0.000 2.758 308 R HA 0.581 4.921 4.340 -0.000 0.000 0.265 308 R C -0.021 176.308 176.300 0.049 0.000 1.016 308 R CA -0.616 55.414 56.100 -0.116 0.000 1.040 308 R CB 1.572 31.780 30.300 -0.153 0.000 1.152 308 R HN 0.835 nan 8.270 nan 0.000 0.503 309 T N -1.853 112.755 114.554 0.090 0.000 2.897 309 T HA 0.458 4.808 4.350 -0.000 0.000 0.294 309 T C 0.591 175.413 174.700 0.204 0.000 1.004 309 T CA -0.585 61.620 62.100 0.174 0.000 1.106 309 T CB 1.403 70.437 68.868 0.276 0.000 0.949 309 T HN 0.701 nan 8.240 nan 0.000 0.520 310 G N 1.669 110.623 108.800 0.258 0.000 4.729 310 G HA2 0.401 4.360 3.960 -0.000 0.000 0.258 310 G HA3 0.401 4.360 3.960 -0.000 0.000 0.258 310 G C 0.126 175.218 174.900 0.319 0.000 1.188 310 G CA -0.718 44.597 45.100 0.357 0.000 0.866 310 G HN 1.026 nan 8.290 nan 0.000 0.562 311 C N 1.510 120.965 119.300 0.259 0.000 2.378 311 C HA 0.042 4.502 4.460 -0.000 0.000 0.395 311 C C 1.264 176.408 174.990 0.255 0.000 1.476 311 C CA 0.004 59.154 59.018 0.219 0.000 1.541 311 C CB -1.094 26.757 27.740 0.186 0.000 2.524 311 C HN 0.755 nan 8.230 nan 0.000 0.595 312 H N 1.232 120.379 119.070 0.129 0.000 2.871 312 H HA 0.389 4.945 4.556 -0.000 0.000 0.355 312 H C 0.780 176.176 175.328 0.113 0.000 1.092 312 H CA 0.898 57.033 56.048 0.145 0.000 1.420 312 H CB 0.482 30.302 29.762 0.097 0.000 1.400 312 H HN 0.764 nan 8.280 nan 0.000 0.604 313 G N 3.084 111.706 108.800 -0.296 0.000 5.252 313 G HA2 0.495 4.455 3.960 -0.000 0.000 0.214 313 G HA3 0.495 4.455 3.960 -0.000 0.000 0.214 313 G C -0.200 174.524 174.900 -0.294 0.000 0.817 313 G CA 0.157 45.101 45.100 -0.261 0.000 0.715 313 G HN 0.860 nan 8.290 nan 0.000 0.480 314 A N 0.106 122.620 122.820 -0.511 0.000 2.327 314 A HA 0.576 4.896 4.320 -0.000 0.000 0.255 314 A C 1.998 179.509 177.584 -0.122 0.000 1.099 314 A CA 0.764 52.675 52.037 -0.210 0.000 0.801 314 A CB 0.179 19.187 19.000 0.012 0.000 1.062 314 A HN 0.845 nan 8.150 nan 0.000 0.496 315 T N -1.277 113.239 114.554 -0.063 0.000 2.929 315 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 315 T C 0.841 175.726 174.700 0.309 0.000 1.085 315 T CA 1.570 63.686 62.100 0.027 0.000 1.125 315 T CB -0.530 68.343 68.868 0.009 0.000 0.874 315 T HN 0.752 nan 8.240 nan 0.000 0.494 316 D N 0.520 121.038 120.400 0.196 0.000 2.378 316 D HA 0.006 4.646 4.640 -0.000 0.000 0.227 316 D C 0.003 176.499 176.300 0.327 0.000 1.012 316 D CA -0.031 54.097 54.000 0.214 0.000 0.905 316 D CB -0.161 40.717 40.800 0.130 0.000 0.895 316 D HN 0.333 nan 8.370 nan 0.000 0.532 317 L N 1.897 123.296 121.223 0.295 0.000 2.265 317 L HA 0.170 4.510 4.340 -0.000 0.000 0.289 317 L C 0.700 177.674 176.870 0.173 0.000 1.033 317 L CA -0.765 54.187 54.840 0.186 0.000 0.814 317 L CB 1.443 43.537 42.059 0.058 0.000 1.203 317 L HN -0.021 nan 8.230 nan 0.000 0.423 318 S N 4.269 119.909 115.700 -0.099 0.000 2.596 318 S HA 0.269 4.739 4.470 -0.000 0.000 0.260 318 S C -1.696 172.505 174.600 -0.666 0.000 1.336 318 S CA -0.687 57.000 58.200 -0.854 0.000 0.993 318 S CB 0.490 62.924 63.200 -1.277 0.000 0.923 318 S HN 0.513 nan 8.310 nan 0.000 0.567 319 P HA -0.044 nan 4.420 nan 0.000 0.221 319 P C 1.427 178.565 177.300 -0.269 0.000 1.145 319 P CA 0.566 63.402 63.100 -0.440 0.000 0.795 319 P CB -0.115 31.313 31.700 -0.454 0.000 0.775 320 V N -0.793 118.845 119.914 -0.460 0.000 2.343 320 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 320 V C 2.299 178.231 176.094 -0.271 0.000 1.051 320 V CA 2.454 64.556 62.300 -0.329 0.000 1.036 320 V CB -1.713 29.934 31.823 -0.295 0.000 0.654 320 V HN 0.181 nan 8.190 nan 0.000 0.451 321 T N -0.236 114.187 114.554 -0.219 0.000 2.746 321 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 321 T C 1.897 176.527 174.700 -0.117 0.000 1.039 321 T CA 2.068 64.094 62.100 -0.123 0.000 1.142 321 T CB -0.312 68.514 68.868 -0.070 0.000 0.866 321 T HN 0.331 nan 8.240 nan 0.000 0.444 322 M N 1.586 121.098 119.600 -0.147 0.000 2.159 322 M HA 0.063 4.542 4.480 -0.000 0.000 0.263 322 M C 2.205 178.323 176.300 -0.303 0.000 1.063 322 M CA 1.556 56.706 55.300 -0.250 0.000 1.110 322 M CB -1.051 31.338 32.600 -0.351 0.000 1.374 322 M HN 0.224 nan 8.290 nan 0.000 0.411 323 G N -0.901 107.826 108.800 -0.120 0.000 2.421 323 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 323 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 323 G C 1.561 176.541 174.900 0.133 0.000 1.171 323 G CA 1.101 46.245 45.100 0.074 0.000 0.775 323 G HN 0.573 nan 8.290 nan 0.000 0.543 324 C N 0.899 120.234 119.300 0.058 0.000 2.425 324 C HA 0.199 4.658 4.460 -0.000 0.000 0.277 324 C C 3.542 178.622 174.990 0.150 0.000 1.280 324 C CA 0.778 59.883 59.018 0.145 0.000 1.744 324 C CB -0.917 26.852 27.740 0.049 0.000 1.989 324 C HN 0.567 nan 8.230 nan 0.000 0.491 325 A N 0.255 123.102 122.820 0.045 0.000 1.933 325 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 325 A C 2.099 179.747 177.584 0.106 0.000 1.175 325 A CA 1.383 53.465 52.037 0.076 0.000 0.628 325 A CB -0.542 18.454 19.000 -0.007 0.000 0.814 325 A HN 0.626 nan 8.150 nan 0.000 0.444 326 L N -1.619 119.569 121.223 -0.059 0.000 2.156 326 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 326 L C 2.593 179.390 176.870 -0.122 0.000 1.095 326 L CA 0.929 55.660 54.840 -0.183 0.000 0.770 326 L CB -0.671 41.165 42.059 -0.371 0.000 0.914 326 L HN 0.461 nan 8.230 nan 0.000 0.439 327 H N -1.005 118.118 119.070 0.087 0.000 2.357 327 H HA -0.178 4.378 4.556 -0.000 0.000 0.301 327 H C 2.085 177.540 175.328 0.212 0.000 1.082 327 H CA 1.781 57.935 56.048 0.177 0.000 1.342 327 H CB -0.173 29.721 29.762 0.220 0.000 1.389 327 H HN 0.266 nan 8.280 nan 0.000 0.511 328 F N 2.308 122.379 119.950 0.201 0.000 2.075 328 F HA -0.190 4.337 4.527 -0.000 0.000 0.297 328 F C 1.946 177.853 175.800 0.177 0.000 1.113 328 F CA 1.473 59.613 58.000 0.233 0.000 1.218 328 F CB -0.151 38.945 39.000 0.161 0.000 0.984 328 F HN -0.030 nan 8.300 nan 0.000 0.472 329 D N -0.430 120.038 120.400 0.113 0.000 2.182 329 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 329 D C 2.250 178.289 176.300 -0.435 0.000 0.986 329 D CA 1.855 55.760 54.000 -0.158 0.000 0.847 329 D CB -0.633 40.049 40.800 -0.197 0.000 0.942 329 D HN 0.318 nan 8.370 nan 0.000 0.467 330 T N -0.420 113.951 114.554 -0.305 0.000 2.915 330 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 330 T C 1.506 176.078 174.700 -0.213 0.000 1.071 330 T CA 0.882 62.770 62.100 -0.352 0.000 1.132 330 T CB -0.010 68.611 68.868 -0.412 0.000 0.878 330 T HN 0.374 nan 8.240 nan 0.000 0.479 331 W N 1.396 122.555 121.300 -0.235 0.000 2.644 331 W HA 0.398 5.057 4.660 -0.000 0.000 0.279 331 W C 0.418 176.799 176.519 -0.231 0.000 1.164 331 W CA -0.485 56.758 57.345 -0.169 0.000 1.457 331 W CB -0.442 28.963 29.460 -0.090 0.000 1.087 331 W HN -0.164 nan 8.180 nan 0.000 0.573 332 V N 5.923 125.103 119.914 -1.224 0.000 2.583 332 V HA -0.110 4.010 4.120 -0.000 0.000 0.302 332 V C -0.573 174.958 176.094 -0.938 0.000 1.033 332 V CA -0.075 61.219 62.300 -1.676 0.000 1.194 332 V CB 0.992 32.035 31.823 -1.299 0.000 0.879 332 V HN 0.129 nan 8.190 nan 0.000 0.482 333 P HA -0.136 nan 4.420 nan 0.000 0.216 333 P C 0.609 177.759 177.300 -0.250 0.000 1.153 333 P CA 1.253 64.091 63.100 -0.437 0.000 0.848 333 P CB -0.118 31.372 31.700 -0.351 0.000 0.787 334 N N 0.020 118.578 118.700 -0.237 0.000 2.843 334 N HA -0.017 4.723 4.740 -0.000 0.000 0.284 334 N C -0.300 175.181 175.510 -0.047 0.000 1.274 334 N CA -0.682 52.295 53.050 -0.121 0.000 1.045 334 N CB -1.308 37.109 38.487 -0.115 0.000 1.370 334 N HN 0.070 nan 8.380 nan 0.000 0.525 335 F N 0.799 120.651 119.950 -0.163 0.000 2.529 335 F HA 0.469 4.996 4.527 -0.000 0.000 0.365 335 F C 1.191 177.022 175.800 0.052 0.000 1.102 335 F CA 0.049 58.004 58.000 -0.075 0.000 1.271 335 F CB 1.018 39.936 39.000 -0.136 0.000 1.120 335 F HN 0.133 nan 8.300 nan 0.000 0.579 336 G N 5.456 113.778 108.800 -0.796 0.000 2.865 336 G HA2 0.285 4.245 3.960 -0.000 0.000 0.204 336 G HA3 0.285 4.245 3.960 -0.000 0.000 0.204 336 G C -0.416 174.046 174.900 -0.730 0.000 1.140 336 G CA 0.369 45.260 45.100 -0.349 0.000 0.842 336 G HN 0.687 nan 8.290 nan 0.000 0.631 337 I N -1.134 118.885 120.570 -0.918 0.000 2.961 337 I HA 0.430 4.600 4.170 -0.000 0.000 0.303 337 I C -2.254 173.806 176.117 -0.094 0.000 1.505 337 I CA -0.915 60.093 61.300 -0.486 0.000 0.964 337 I CB 2.417 40.252 38.000 -0.276 0.000 1.348 337 I HN 0.146 nan 8.210 nan 0.000 0.508 338 Q N 4.137 124.029 119.800 0.154 0.000 2.310 338 Q HA 0.347 4.687 4.340 -0.000 0.000 0.270 338 Q C -1.188 174.776 176.000 -0.061 0.000 1.025 338 Q CA -0.424 55.473 55.803 0.156 0.000 0.772 338 Q CB 1.637 30.488 28.738 0.188 0.000 1.253 338 Q HN 0.516 nan 8.270 nan 0.000 0.450 339 E N 3.257 123.366 120.200 -0.151 0.000 2.384 339 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 339 E C -1.446 175.016 176.600 -0.230 0.000 1.012 339 E CA -0.185 55.832 56.400 -0.639 0.000 0.901 339 E CB 0.517 30.016 29.700 -0.335 0.000 0.967 339 E HN 0.621 nan 8.360 nan 0.000 0.435 340 Y N 5.568 125.644 120.300 -0.374 0.000 2.373 340 Y HA 0.312 4.862 4.550 -0.000 0.000 0.327 340 Y C -1.415 174.451 175.900 -0.056 0.000 1.036 340 Y CA -1.067 56.914 58.100 -0.198 0.000 1.265 340 Y CB 0.812 39.142 38.460 -0.218 0.000 1.108 340 Y HN 0.584 nan 8.280 nan 0.000 0.471 341 M N 6.452 125.884 119.600 -0.280 0.000 2.205 341 M HA 0.525 5.005 4.480 -0.000 0.000 0.344 341 M C -0.488 175.443 176.300 -0.615 0.000 1.085 341 M CA -0.587 54.441 55.300 -0.454 0.000 1.001 341 M CB 0.837 33.190 32.600 -0.412 0.000 1.626 341 M HN 0.616 nan 8.290 nan 0.000 0.442 342 R N 3.272 123.422 120.500 -0.583 0.000 2.438 342 R HA 0.231 4.571 4.340 -0.000 0.000 0.287 342 R C -0.380 175.733 176.300 -0.311 0.000 1.077 342 R CA -0.427 55.403 56.100 -0.449 0.000 1.034 342 R CB 0.389 30.524 30.300 -0.276 0.000 0.993 342 R HN 0.614 nan 8.270 nan 0.000 0.459 343 H N 0.695 119.737 119.070 -0.047 0.000 2.546 343 H HA 0.063 4.619 4.556 -0.000 0.000 0.365 343 H C 0.664 175.945 175.328 -0.077 0.000 1.220 343 H CA 0.011 56.031 56.048 -0.045 0.000 1.386 343 H CB 1.094 30.882 29.762 0.043 0.000 1.510 343 H HN 0.605 nan 8.280 nan 0.000 0.591 344 T N -1.523 113.063 114.554 0.054 0.000 2.813 344 T HA 0.047 4.397 4.350 -0.000 0.000 0.297 344 T C 1.206 175.942 174.700 0.060 0.000 1.036 344 T CA -0.643 61.451 62.100 -0.011 0.000 1.044 344 T CB 0.854 69.692 68.868 -0.049 0.000 0.993 344 T HN 0.565 nan 8.240 nan 0.000 0.535 345 E N 0.544 120.772 120.200 0.047 0.000 2.110 345 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 345 E C 2.060 178.687 176.600 0.044 0.000 0.988 345 E CA 1.312 57.752 56.400 0.066 0.000 0.804 345 E CB -0.090 29.647 29.700 0.061 0.000 0.745 345 E HN 0.713 nan 8.360 nan 0.000 0.458 346 E N 0.205 120.401 120.200 -0.008 0.000 2.077 346 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 346 E C 2.118 178.654 176.600 -0.107 0.000 0.989 346 E CA 1.383 57.722 56.400 -0.100 0.000 0.800 346 E CB -0.425 29.106 29.700 -0.281 0.000 0.746 346 E HN 0.103 nan 8.360 nan 0.000 0.452 347 T N 1.061 115.603 114.554 -0.019 0.000 2.746 347 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 347 T C 1.141 175.909 174.700 0.113 0.000 1.039 347 T CA 1.449 63.595 62.100 0.077 0.000 1.142 347 T CB -0.340 68.615 68.868 0.145 0.000 0.866 347 T HN 0.105 nan 8.240 nan 0.000 0.444 348 D N 1.162 121.642 120.400 0.134 0.000 2.178 348 D HA -0.006 4.633 4.640 -0.000 0.000 0.201 348 D C 2.250 178.643 176.300 0.154 0.000 0.980 348 D CA 1.083 55.224 54.000 0.233 0.000 0.842 348 D CB -0.314 40.649 40.800 0.272 0.000 0.948 348 D HN 0.412 nan 8.370 nan 0.000 0.472 349 A N 0.355 123.219 122.820 0.074 0.000 1.929 349 A HA -0.080 4.239 4.320 -0.000 0.000 0.216 349 A C 2.461 180.040 177.584 -0.007 0.000 1.176 349 A CA 0.810 52.869 52.037 0.035 0.000 0.628 349 A CB -0.503 18.523 19.000 0.044 0.000 0.816 349 A HN 0.141 nan 8.150 nan 0.000 0.444 350 V N -1.625 118.244 119.914 -0.075 0.000 2.515 350 V HA -0.087 4.033 4.120 -0.000 0.000 0.250 350 V C 0.453 176.266 176.094 -0.468 0.000 1.058 350 V CA 1.063 63.193 62.300 -0.283 0.000 1.064 350 V CB -0.702 30.861 31.823 -0.433 0.000 0.675 350 V HN 0.491 nan 8.190 nan 0.000 0.461 351 F N 0.271 120.225 119.950 0.006 0.000 2.389 351 F HA 0.448 4.975 4.527 -0.000 0.000 0.327 351 F C -2.451 173.431 175.800 0.137 0.000 1.204 351 F CA -3.120 54.898 58.000 0.029 0.000 1.209 351 F CB 0.136 39.083 39.000 -0.088 0.000 1.460 351 F HN 0.028 nan 8.300 nan 0.000 0.537 352 P HA -0.001 nan 4.420 nan 0.000 0.262 352 P C -0.597 176.782 177.300 0.131 0.000 1.182 352 P CA 0.728 63.870 63.100 0.068 0.000 0.761 352 P CB 0.324 32.049 31.700 0.042 0.000 0.795 353 H N 0.328 119.382 119.070 -0.026 0.000 2.980 353 H HA 0.434 4.990 4.556 -0.000 0.000 0.367 353 H C -1.271 174.014 175.328 -0.071 0.000 1.206 353 H CA -0.935 55.071 56.048 -0.070 0.000 1.126 353 H CB 1.485 31.040 29.762 -0.344 0.000 1.838 353 H HN 0.174 nan 8.280 nan 0.000 0.552 354 D N 1.632 122.138 120.400 0.177 0.000 2.590 354 D HA 0.188 4.828 4.640 -0.000 0.000 0.280 354 D C -1.292 175.245 176.300 0.394 0.000 1.197 354 D CA -0.252 53.895 54.000 0.246 0.000 0.967 354 D CB -0.728 40.238 40.800 0.278 0.000 0.987 354 D HN 0.460 nan 8.370 nan 0.000 0.508 355 Y N -0.232 120.313 120.300 0.408 0.000 2.558 355 Y HA 0.665 5.215 4.550 -0.000 0.000 0.333 355 Y C -1.697 174.456 175.900 0.421 0.000 1.125 355 Y CA -1.800 56.442 58.100 0.236 0.000 1.039 355 Y CB 0.184 38.666 38.460 0.037 0.000 1.331 355 Y HN 0.034 nan 8.280 nan 0.000 0.456 356 W N 2.891 124.446 121.300 0.426 0.000 3.047 356 W HA 0.840 5.500 4.660 -0.000 0.000 0.341 356 W C -2.545 174.224 176.519 0.418 0.000 1.225 356 W CA -1.925 55.635 57.345 0.359 0.000 1.150 356 W CB 1.317 30.899 29.460 0.202 0.000 1.470 356 W HN 0.664 nan 8.180 nan 0.000 0.578 357 F N 2.681 122.873 119.950 0.404 0.000 2.520 357 F HA 0.633 5.160 4.527 -0.000 0.000 0.322 357 F C -0.816 175.195 175.800 0.352 0.000 1.103 357 F CA -1.000 57.146 58.000 0.244 0.000 0.926 357 F CB 1.649 40.780 39.000 0.219 0.000 1.154 357 F HN 0.587 nan 8.300 nan 0.000 0.453 358 E N 3.801 123.675 120.200 -0.545 0.000 2.388 358 E HA 0.279 4.629 4.350 -0.000 0.000 0.289 358 E C -1.346 174.947 176.600 -0.513 0.000 0.944 358 E CA -1.161 55.003 56.400 -0.393 0.000 0.792 358 E CB 1.408 31.141 29.700 0.056 0.000 1.239 358 E HN 0.629 nan 8.360 nan 0.000 0.412 359 K N 1.767 121.884 120.400 -0.472 0.000 3.451 359 K HA -0.263 4.057 4.320 -0.000 0.000 0.273 359 K C 0.756 177.149 176.600 -0.345 0.000 0.944 359 K CA 0.886 56.999 56.287 -0.289 0.000 0.734 359 K CB -1.773 30.663 32.500 -0.106 0.000 1.437 359 K HN 1.229 nan 8.250 nan 0.000 0.454 360 G N -0.291 108.154 108.800 -0.593 0.000 2.162 360 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 360 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 360 G C -0.224 174.552 174.900 -0.206 0.000 0.976 360 G CA 0.841 45.725 45.100 -0.361 0.000 0.655 360 G HN 0.530 nan 8.290 nan 0.000 0.533 361 E N -0.839 119.131 120.200 -0.384 0.000 2.317 361 E HA 0.685 5.035 4.350 -0.000 0.000 0.270 361 E C -0.349 175.997 176.600 -0.424 0.000 0.885 361 E CA -0.925 55.246 56.400 -0.381 0.000 0.760 361 E CB 2.089 31.446 29.700 -0.572 0.000 1.227 361 E HN 0.160 nan 8.360 nan 0.000 0.434 362 L N 2.109 123.038 121.223 -0.490 0.000 2.344 362 L HA 0.563 4.903 4.340 -0.000 0.000 0.272 362 L C -1.024 175.285 176.870 -0.936 0.000 1.035 362 L CA -0.625 53.929 54.840 -0.475 0.000 0.807 362 L CB 0.690 42.469 42.059 -0.466 0.000 1.237 362 L HN 0.466 nan 8.230 nan 0.000 0.442 363 F N 1.270 120.773 119.950 -0.745 0.000 2.556 363 F HA 0.433 4.960 4.527 -0.000 0.000 0.314 363 F C -0.089 175.157 175.800 -0.924 0.000 1.106 363 F CA -0.698 56.712 58.000 -0.983 0.000 0.911 363 F CB 1.977 40.017 39.000 -1.600 0.000 1.190 363 F HN 0.000 nan 8.300 nan 0.000 0.448 364 V N 2.854 122.495 119.914 -0.454 0.000 2.644 364 V HA 0.785 4.905 4.120 -0.000 0.000 0.295 364 V C 0.357 176.412 176.094 -0.065 0.000 1.053 364 V CA -0.121 62.012 62.300 -0.277 0.000 0.987 364 V CB 1.457 33.006 31.823 -0.457 0.000 1.006 364 V HN 0.859 nan 8.190 nan 0.000 0.472 365 G N 3.390 112.313 108.800 0.205 0.000 2.563 365 G HA2 0.340 4.300 3.960 -0.000 0.000 0.283 365 G HA3 0.340 4.300 3.960 -0.000 0.000 0.283 365 G C 0.151 175.287 174.900 0.392 0.000 1.309 365 G CA -0.231 45.118 45.100 0.414 0.000 1.022 365 G HN 0.702 nan 8.290 nan 0.000 0.501 366 E N -0.230 120.177 120.200 0.345 0.000 2.476 366 E HA 0.081 4.431 4.350 -0.000 0.000 0.196 366 E C 0.592 177.319 176.600 0.211 0.000 1.029 366 E CA 0.031 56.609 56.400 0.297 0.000 0.896 366 E CB 0.030 29.868 29.700 0.229 0.000 1.012 366 E HN 0.278 nan 8.360 nan 0.000 0.475 367 T N 3.818 118.506 114.554 0.224 0.000 2.902 367 T HA 0.108 4.458 4.350 -0.000 0.000 0.301 367 T C -2.393 172.377 174.700 0.115 0.000 1.012 367 T CA -0.879 61.314 62.100 0.155 0.000 1.151 367 T CB 0.570 69.539 68.868 0.169 0.000 0.946 367 T HN -0.076 nan 8.240 nan 0.000 0.542 368 P HA 0.339 nan 4.420 nan 0.000 0.265 368 P C 0.702 177.977 177.300 -0.042 0.000 1.193 368 P CA 0.906 63.997 63.100 -0.015 0.000 0.765 368 P CB 0.330 32.011 31.700 -0.031 0.000 0.823 369 G N 2.996 111.741 108.800 -0.091 0.000 2.500 369 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 369 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.209 369 G C 0.158 174.972 174.900 -0.143 0.000 1.283 369 G CA 0.090 45.095 45.100 -0.158 0.000 0.960 369 G HN 0.680 nan 8.290 nan 0.000 0.528 370 H N -0.122 118.954 119.070 0.010 0.000 2.539 370 H HA 0.467 5.022 4.556 -0.000 0.000 0.267 370 H C 1.996 177.537 175.328 0.356 0.000 0.982 370 H CA 0.888 56.966 56.048 0.050 0.000 1.146 370 H CB -0.100 29.755 29.762 0.154 0.000 1.382 370 H HN 2.372 nan 8.280 nan 0.000 0.577 371 G N -0.233 108.841 108.800 0.456 0.000 2.179 371 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 371 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 371 G C -0.081 175.079 174.900 0.434 0.000 0.977 371 G CA 0.348 45.706 45.100 0.431 0.000 0.641 371 G HN 0.456 nan 8.290 nan 0.000 0.533 372 V N 0.205 120.482 119.914 0.605 0.000 2.769 372 V HA 0.853 4.972 4.120 -0.000 0.000 0.312 372 V C -0.079 176.291 176.094 0.461 0.000 1.058 372 V CA -0.625 61.952 62.300 0.462 0.000 0.952 372 V CB 2.016 34.028 31.823 0.315 0.000 1.019 372 V HN 0.284 nan 8.190 nan 0.000 0.445 373 D N 0.906 121.527 120.400 0.368 0.000 2.652 373 D HA 0.559 5.198 4.640 -0.000 0.000 0.285 373 D C -1.516 174.968 176.300 0.308 0.000 1.173 373 D CA -0.459 53.747 54.000 0.343 0.000 0.981 373 D CB 2.734 43.697 40.800 0.270 0.000 1.440 373 D HN 0.541 nan 8.370 nan 0.000 0.485 374 I N 1.035 121.730 120.570 0.208 0.000 2.499 374 I HA 0.233 4.403 4.170 -0.000 0.000 0.288 374 I C -1.250 174.843 176.117 -0.040 0.000 1.048 374 I CA -0.615 60.703 61.300 0.029 0.000 1.062 374 I CB 1.700 39.728 38.000 0.046 0.000 1.238 374 I HN 0.118 nan 8.210 nan 0.000 0.426 375 D N 7.086 127.419 120.400 -0.111 0.000 2.422 375 D HA 0.091 4.731 4.640 -0.000 0.000 0.227 375 D C 0.906 177.156 176.300 -0.083 0.000 1.190 375 D CA 0.183 54.144 54.000 -0.066 0.000 0.905 375 D CB 0.908 41.678 40.800 -0.051 0.000 1.034 375 D HN 0.598 nan 8.370 nan 0.000 0.507 376 E N 2.221 122.383 120.200 -0.063 0.000 2.118 376 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 376 E C 1.377 177.956 176.600 -0.034 0.000 0.992 376 E CA 0.786 57.155 56.400 -0.052 0.000 0.804 376 E CB 0.286 29.955 29.700 -0.051 0.000 0.741 376 E HN 0.635 nan 8.360 nan 0.000 0.458 377 E N 0.671 120.853 120.200 -0.030 0.000 2.077 377 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 377 E C 2.134 178.721 176.600 -0.022 0.000 0.989 377 E CA 0.672 57.057 56.400 -0.024 0.000 0.800 377 E CB 0.048 29.736 29.700 -0.020 0.000 0.746 377 E HN 0.095 nan 8.360 nan 0.000 0.452 378 L N 0.679 121.896 121.223 -0.010 0.000 2.109 378 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 378 L C 2.216 179.136 176.870 0.083 0.000 1.086 378 L CA 1.962 56.818 54.840 0.026 0.000 0.760 378 L CB -0.653 41.439 42.059 0.054 0.000 0.910 378 L HN 0.158 nan 8.230 nan 0.000 0.437 379 A N -0.364 122.480 122.820 0.041 0.000 1.940 379 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 379 A C 2.373 180.021 177.584 0.107 0.000 1.176 379 A CA 1.599 53.684 52.037 0.081 0.000 0.631 379 A CB -1.082 17.892 19.000 -0.043 0.000 0.814 379 A HN 0.537 nan 8.150 nan 0.000 0.446 380 A N -0.485 122.352 122.820 0.028 0.000 2.172 380 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 380 A C 1.874 179.430 177.584 -0.048 0.000 1.154 380 A CA 1.408 53.448 52.037 0.005 0.000 0.701 380 A CB -0.341 18.651 19.000 -0.013 0.000 0.789 380 A HN 0.568 nan 8.150 nan 0.000 0.465 381 K N -1.416 118.898 120.400 -0.143 0.000 2.426 381 K HA 0.056 4.376 4.320 -0.000 0.000 0.193 381 K C -0.930 175.359 176.600 -0.519 0.000 1.028 381 K CA 0.340 56.411 56.287 -0.361 0.000 1.047 381 K CB 0.108 32.294 32.500 -0.523 0.000 0.821 381 K HN 0.585 nan 8.250 nan 0.000 0.513 382 Y N 1.863 122.174 120.300 0.018 0.000 2.686 382 Y HA 0.227 4.776 4.550 -0.000 0.000 0.331 382 Y C -2.356 173.571 175.900 0.044 0.000 0.996 382 Y CA -3.325 54.792 58.100 0.028 0.000 1.293 382 Y CB 0.648 39.131 38.460 0.038 0.000 1.092 382 Y HN -0.041 nan 8.280 nan 0.000 0.524 383 P HA -0.070 nan 4.420 nan 0.000 0.271 383 P C -0.365 177.021 177.300 0.142 0.000 1.216 383 P CA -0.107 63.068 63.100 0.125 0.000 0.776 383 P CB 1.058 32.804 31.700 0.076 0.000 0.881 384 Y N 3.164 123.491 120.300 0.045 0.000 2.805 384 Y HA 0.022 4.572 4.550 -0.000 0.000 0.337 384 Y C 0.506 176.408 175.900 0.004 0.000 1.252 384 Y CA 0.703 58.816 58.100 0.021 0.000 1.515 384 Y CB 0.439 38.907 38.460 0.013 0.000 1.305 384 Y HN 0.350 nan 8.280 nan 0.000 0.600 385 K N 8.107 128.027 120.400 -0.800 0.000 2.601 385 K HA 0.418 4.738 4.320 -0.000 0.000 0.249 385 K C -3.052 173.062 176.600 -0.810 0.000 0.966 385 K CA -2.138 53.799 56.287 -0.584 0.000 0.827 385 K CB 1.625 33.962 32.500 -0.272 0.000 1.178 385 K HN 0.353 nan 8.250 nan 0.000 0.437 386 P HA -0.000 nan 4.420 nan 0.000 0.262 386 P C -1.536 175.565 177.300 -0.331 0.000 1.182 386 P CA 0.171 63.017 63.100 -0.423 0.000 0.761 386 P CB 0.860 32.477 31.700 -0.138 0.000 0.795 387 A N 3.613 126.196 122.820 -0.394 0.000 2.437 387 A HA 0.609 4.929 4.320 -0.000 0.000 0.293 387 A C -1.674 175.731 177.584 -0.299 0.000 1.038 387 A CA -0.448 51.442 52.037 -0.246 0.000 0.708 387 A CB 0.806 19.677 19.000 -0.215 0.000 1.251 387 A HN 0.379 nan 8.150 nan 0.000 0.409 388 Y N 1.175 121.413 120.300 -0.103 0.000 2.487 388 Y HA 0.617 5.167 4.550 -0.000 0.000 0.337 388 Y C 0.439 176.235 175.900 -0.173 0.000 1.076 388 Y CA -0.679 57.356 58.100 -0.108 0.000 1.115 388 Y CB 1.615 40.018 38.460 -0.095 0.000 1.235 388 Y HN 0.606 nan 8.280 nan 0.000 0.468 389 L N 3.971 125.180 121.223 -0.023 0.000 2.418 389 L HA 0.340 4.680 4.340 -0.000 0.000 0.265 389 L C -2.183 174.440 176.870 -0.412 0.000 1.143 389 L CA -1.774 52.895 54.840 -0.285 0.000 0.809 389 L CB 0.673 42.588 42.059 -0.239 0.000 1.124 389 L HN 0.368 nan 8.230 nan 0.000 0.456 390 P HA 0.157 nan 4.420 nan 0.000 0.274 390 P C -1.212 175.729 177.300 -0.597 0.000 1.256 390 P CA -0.348 62.345 63.100 -0.679 0.000 0.795 390 P CB 0.847 32.079 31.700 -0.781 0.000 1.038 391 V N -3.039 116.730 119.914 -0.243 0.000 2.960 391 V HA 0.936 5.056 4.120 -0.000 0.000 0.315 391 V C -0.714 175.465 176.094 0.142 0.000 1.087 391 V CA -1.387 60.908 62.300 -0.009 0.000 0.982 391 V CB 1.456 33.285 31.823 0.010 0.000 1.039 391 V HN 0.628 nan 8.190 nan 0.000 0.437 392 A N 3.328 126.322 122.820 0.290 0.000 2.350 392 A HA 0.946 5.265 4.320 -0.000 0.000 0.324 392 A C -0.243 177.530 177.584 0.314 0.000 1.118 392 A CA -0.943 51.306 52.037 0.353 0.000 0.783 392 A CB 1.471 20.744 19.000 0.455 0.000 1.236 392 A HN 0.931 nan 8.150 nan 0.000 0.457 393 R N 1.403 122.064 120.500 0.268 0.000 2.686 393 R HA 0.541 4.881 4.340 -0.000 0.000 0.283 393 R C -0.807 175.592 176.300 0.164 0.000 0.978 393 R CA -0.733 55.496 56.100 0.214 0.000 0.897 393 R CB 1.829 32.210 30.300 0.136 0.000 1.192 393 R HN 0.715 nan 8.270 nan 0.000 0.457 394 L N 1.790 123.059 121.223 0.078 0.000 2.475 394 L HA 0.087 4.427 4.340 -0.000 0.000 0.250 394 L C 1.638 178.493 176.870 -0.024 0.000 1.224 394 L CA 0.047 54.858 54.840 -0.048 0.000 0.821 394 L CB 0.392 42.324 42.059 -0.212 0.000 1.141 394 L HN 0.675 nan 8.230 nan 0.000 0.494 395 E N 0.580 120.740 120.200 -0.066 0.000 2.209 395 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 395 E C 0.874 177.454 176.600 -0.033 0.000 0.993 395 E CA 1.400 57.771 56.400 -0.049 0.000 0.819 395 E CB -0.110 29.544 29.700 -0.076 0.000 0.745 395 E HN 0.694 nan 8.360 nan 0.000 0.477 396 D N -0.886 119.491 120.400 -0.038 0.000 2.340 396 D HA 0.025 4.665 4.640 -0.000 0.000 0.220 396 D C 1.288 177.588 176.300 0.000 0.000 1.039 396 D CA 0.745 54.732 54.000 -0.021 0.000 0.866 396 D CB 0.449 41.233 40.800 -0.027 0.000 0.913 396 D HN 0.217 nan 8.370 nan 0.000 0.523 397 G N -0.484 108.323 108.800 0.012 0.000 2.195 397 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.224 397 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.224 397 G C 0.387 175.322 174.900 0.059 0.000 0.990 397 G CA 0.070 45.191 45.100 0.034 0.000 0.639 397 G HN 0.407 nan 8.290 nan 0.000 0.514 398 T N 3.732 118.321 114.554 0.058 0.000 2.871 398 T HA 0.390 4.740 4.350 -0.000 0.000 0.296 398 T C 0.978 175.795 174.700 0.195 0.000 0.998 398 T CA 0.204 62.370 62.100 0.111 0.000 1.162 398 T CB 0.598 69.522 68.868 0.093 0.000 0.947 398 T HN 0.191 nan 8.240 nan 0.000 0.536 399 M N 3.693 123.414 119.600 0.202 0.000 2.252 399 M HA 0.121 4.601 4.480 -0.000 0.000 0.348 399 M C 0.044 176.581 176.300 0.394 0.000 1.334 399 M CA 0.401 55.838 55.300 0.228 0.000 1.071 399 M CB 0.026 32.713 32.600 0.145 0.000 1.763 399 M HN 0.724 nan 8.290 nan 0.000 0.452 400 W N 3.309 124.656 121.300 0.078 0.000 3.459 400 W HA 0.341 5.000 4.660 -0.000 0.000 0.340 400 W C -0.611 175.943 176.519 0.059 0.000 1.275 400 W CA -0.652 56.734 57.345 0.069 0.000 0.985 400 W CB 1.541 31.055 29.460 0.091 0.000 1.745 400 W HN 0.408 nan 8.180 nan 0.000 0.627 401 N N 2.092 120.592 118.700 -0.333 0.000 2.457 401 N HA 0.081 4.821 4.740 -0.000 0.000 0.250 401 N C -0.590 174.928 175.510 0.012 0.000 0.982 401 N CA -0.258 52.648 53.050 -0.240 0.000 0.941 401 N CB 0.992 39.195 38.487 -0.473 0.000 1.120 401 N HN 0.329 nan 8.380 nan 0.000 0.505 402 W N 0.000 121.307 121.300 0.011 0.000 2.388 402 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 402 W CA 0.000 57.410 57.345 0.108 0.000 1.226 402 W CB 0.000 29.531 29.460 0.118 0.000 1.126 402 W HN 0.000 nan 8.180 nan 0.000 0.535