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 2ipi_1_C DATA FIRST_RESID 10 DATA SEQUENCE ALVKVDRVDR RYQDLVTRGF NGRFRGRPDV VYVVHTADQV VDAVNQAMAA DATA SEQUENCE GQRIAVRSGG HCFEGFVDDP AVRAVIDMSQ MRQVFYDSGK RAFAVEPGAT DATA SEQUENCE LGETYRALYL DWGVTIPAGV CPQVGVGGHV LGGGYGPLSR RDGVVADHLY DATA SEQUENCE AVEVVVVDAS GRARKVVATS AADDPNRELW WAHTGGGGGN FGIVTRYWFR DATA SEQUENCE TPGATGTDPS QLLPKAPTST LRHIVTWDWS ALTEEAFTRI IDNHGAWHQS DATA SEQUENCE NSAAGTPYAS MHSVFYLNSR AAGQILLDIQ IDGGLDGAEA LLNDFVAAVN DATA SEQUENCE EGTGVEPAVQ RSTEPWLRAT LANKFDTGGF DRTKSKGAYL RKPWTAAQAA DATA SEQUENCE TLYRHLSADS QVWGEVSLYS YGGKVNSVPE TATATAQRDS IIKVWMSATW DATA SEQUENCE MDPAHDDANL AWIREIYREI FATTGGVPVP DDRTEGTFIN YPDVDLVDER DATA SEQUENCE WNTSGVPWYT LYYKGNYPRL QKVKARWDPR DVFRHALSVR PP 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.442 177.584 -0.237 0.000 1.274 10 A CA 0.000 51.832 52.037 -0.342 0.000 0.836 10 A CB 0.000 18.713 19.000 -0.478 0.000 0.831 11 L N 1.057 122.254 121.223 -0.044 0.000 2.461 11 L HA 0.313 4.654 4.340 0.000 0.000 0.259 11 L C 1.283 178.286 176.870 0.221 0.000 1.248 11 L CA -0.161 54.727 54.840 0.080 0.000 0.823 11 L CB 0.380 42.476 42.059 0.062 0.000 1.111 11 L HN 0.871 nan 8.230 nan 0.000 0.516 12 V N 0.944 120.987 119.914 0.214 0.000 2.763 12 V HA 0.087 4.207 4.120 0.000 0.000 0.306 12 V C -0.134 176.093 176.094 0.221 0.000 1.059 12 V CA -0.341 62.102 62.300 0.239 0.000 1.138 12 V CB 0.422 32.356 31.823 0.184 0.000 0.940 12 V HN 0.599 nan 8.190 nan 0.000 0.489 13 K N 5.483 126.016 120.400 0.220 0.000 2.274 13 K HA 0.628 4.948 4.320 0.000 0.000 0.262 13 K C -1.248 175.408 176.600 0.093 0.000 0.961 13 K CA -0.641 55.738 56.287 0.154 0.000 0.833 13 K CB 2.071 34.666 32.500 0.157 0.000 1.102 13 K HN 0.597 nan 8.250 nan 0.000 0.436 14 V N 2.643 122.573 119.914 0.026 0.000 2.448 14 V HA 0.248 4.368 4.120 0.000 0.000 0.295 14 V C -0.434 175.596 176.094 -0.107 0.000 1.025 14 V CA -0.735 61.485 62.300 -0.134 0.000 0.859 14 V CB 1.734 33.479 31.823 -0.130 0.000 0.988 14 V HN 0.677 nan 8.190 nan 0.000 0.431 15 D N 3.477 123.799 120.400 -0.130 0.000 2.502 15 D HA 0.557 5.197 4.640 0.000 0.000 0.249 15 D C 0.363 176.654 176.300 -0.015 0.000 1.092 15 D CA -0.361 53.621 54.000 -0.029 0.000 0.839 15 D CB 2.696 43.524 40.800 0.046 0.000 1.264 15 D HN 0.750 nan 8.370 nan 0.000 0.511 16 R N 0.422 120.891 120.500 -0.052 0.000 3.246 16 R HA 0.077 4.417 4.340 0.000 0.000 0.144 16 R C 0.909 176.983 176.300 -0.377 0.000 0.772 16 R CA -0.097 55.892 56.100 -0.185 0.000 1.364 16 R CB -0.040 30.167 30.300 -0.154 0.000 1.665 16 R HN 0.161 nan 8.270 nan 0.000 0.520 17 V N -0.212 119.568 119.914 -0.222 0.000 3.085 17 V HA 0.389 4.509 4.120 0.000 0.000 0.345 17 V C -0.625 175.416 176.094 -0.088 0.000 1.397 17 V CA -0.302 61.884 62.300 -0.190 0.000 1.165 17 V CB 0.026 31.770 31.823 -0.132 0.000 1.153 17 V HN 0.251 nan 8.190 nan 0.000 0.495 18 D N 0.393 120.763 120.400 -0.050 0.000 2.253 18 D HA 0.371 5.011 4.640 0.000 0.000 0.249 18 D C 1.227 177.559 176.300 0.053 0.000 1.049 18 D CA -0.572 53.434 54.000 0.009 0.000 0.929 18 D CB 1.907 42.719 40.800 0.020 0.000 1.176 18 D HN 0.060 nan 8.370 nan 0.000 0.437 19 R N 0.678 121.203 120.500 0.042 0.000 2.249 19 R HA -0.043 4.297 4.340 0.000 0.000 0.230 19 R C 1.627 177.967 176.300 0.066 0.000 1.121 19 R CA 1.281 57.410 56.100 0.049 0.000 0.997 19 R CB 0.059 30.377 30.300 0.030 0.000 0.867 19 R HN 0.396 nan 8.270 nan 0.000 0.465 20 R N -1.761 118.785 120.500 0.077 0.000 2.254 20 R HA -0.009 4.331 4.340 0.000 0.000 0.195 20 R C 1.477 177.829 176.300 0.087 0.000 0.957 20 R CA 0.387 56.528 56.100 0.068 0.000 1.024 20 R CB -0.111 30.222 30.300 0.055 0.000 0.952 20 R HN 0.268 nan 8.270 nan 0.000 0.484 21 Y N 2.091 122.386 120.300 -0.008 0.000 2.114 21 Y HA -0.346 4.204 4.550 0.000 0.000 0.282 21 Y C 2.230 178.127 175.900 -0.005 0.000 1.165 21 Y CA 1.668 59.762 58.100 -0.011 0.000 1.148 21 Y CB 0.147 38.597 38.460 -0.015 0.000 0.972 21 Y HN -0.037 nan 8.280 nan 0.000 0.504 22 Q N 0.407 120.217 119.800 0.017 0.000 2.084 22 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 22 Q C 1.953 177.884 176.000 -0.115 0.000 0.978 22 Q CA 1.678 57.434 55.803 -0.079 0.000 0.844 22 Q CB -0.604 28.150 28.738 0.027 0.000 0.898 22 Q HN 0.603 nan 8.270 nan 0.000 0.426 23 D N -0.225 120.140 120.400 -0.058 0.000 2.117 23 D HA -0.131 4.509 4.640 0.000 0.000 0.197 23 D C 1.794 178.046 176.300 -0.081 0.000 0.987 23 D CA 0.676 54.645 54.000 -0.052 0.000 0.829 23 D CB 0.204 40.993 40.800 -0.018 0.000 0.961 23 D HN 0.126 nan 8.370 nan 0.000 0.460 24 L N 0.396 121.555 121.223 -0.107 0.000 2.191 24 L HA -0.086 4.254 4.340 0.000 0.000 0.212 24 L C 2.226 178.994 176.870 -0.169 0.000 1.103 24 L CA 0.944 55.715 54.840 -0.116 0.000 0.769 24 L CB -0.668 41.331 42.059 -0.099 0.000 0.908 24 L HN -0.057 nan 8.230 nan 0.000 0.438 25 V N -1.132 118.613 119.914 -0.282 0.000 3.647 25 V HA -0.012 4.108 4.120 0.000 0.000 0.279 25 V C 1.881 177.890 176.094 -0.141 0.000 1.314 25 V CA 1.129 63.281 62.300 -0.247 0.000 1.125 25 V CB -0.186 31.390 31.823 -0.412 0.000 0.907 25 V HN 0.670 nan 8.190 nan 0.000 0.434 26 T N -3.621 110.863 114.554 -0.116 0.000 3.086 26 T HA 0.109 4.459 4.350 0.000 0.000 0.250 26 T C 1.704 176.371 174.700 -0.055 0.000 1.074 26 T CA 0.003 62.057 62.100 -0.077 0.000 0.988 26 T CB -0.273 68.550 68.868 -0.074 0.000 0.988 26 T HN 0.423 nan 8.240 nan 0.000 0.530 27 R N 1.269 121.742 120.500 -0.045 0.000 2.139 27 R HA 0.024 4.364 4.340 0.000 0.000 0.243 27 R C 1.551 177.848 176.300 -0.006 0.000 1.145 27 R CA 0.950 57.038 56.100 -0.020 0.000 0.976 27 R CB -0.759 29.532 30.300 -0.014 0.000 0.866 27 R HN 0.537 nan 8.270 nan 0.000 0.449 28 G N -0.074 108.724 108.800 -0.004 0.000 2.432 28 G HA2 -0.025 3.935 3.960 0.000 0.000 0.239 28 G HA3 -0.025 3.935 3.960 0.000 0.000 0.239 28 G C 0.200 175.112 174.900 0.020 0.000 1.291 28 G CA -0.514 44.599 45.100 0.022 0.000 0.863 28 G HN 0.048 nan 8.290 nan 0.000 0.560 29 F N 2.264 122.108 119.950 -0.175 0.000 2.010 29 F HA -0.108 4.419 4.527 0.000 0.000 0.296 29 F C 1.713 177.450 175.800 -0.105 0.000 1.146 29 F CA 1.312 59.171 58.000 -0.235 0.000 1.181 29 F CB -0.550 38.203 39.000 -0.413 0.000 0.965 29 F HN 0.540 nan 8.300 nan 0.000 0.480 30 N N 0.054 118.760 118.700 0.010 0.000 2.394 30 N HA 0.015 4.755 4.740 0.000 0.000 0.277 30 N C 1.097 176.467 175.510 -0.233 0.000 1.346 30 N CA 0.313 53.289 53.050 -0.122 0.000 0.910 30 N CB 0.424 38.977 38.487 0.111 0.000 1.201 30 N HN 0.452 nan 8.380 nan 0.000 0.488 31 G N 3.297 111.882 108.800 -0.358 0.000 2.586 31 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 31 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 31 G C 1.420 176.097 174.900 -0.373 0.000 1.128 31 G CA 0.209 45.111 45.100 -0.330 0.000 0.774 31 G HN 0.637 nan 8.290 nan 0.000 0.543 32 R N -0.970 119.193 120.500 -0.562 0.000 2.148 32 R HA 0.043 4.383 4.340 0.000 0.000 0.223 32 R C -0.324 175.565 176.300 -0.685 0.000 1.088 32 R CA 0.508 56.141 56.100 -0.779 0.000 0.985 32 R CB -0.023 29.496 30.300 -1.302 0.000 0.880 32 R HN 0.366 nan 8.270 nan 0.000 0.451 33 F N 0.414 120.325 119.950 -0.066 0.000 2.499 33 F HA 0.433 4.960 4.527 0.000 0.000 0.333 33 F C -0.018 175.756 175.800 -0.043 0.000 1.138 33 F CA -1.018 56.959 58.000 -0.037 0.000 0.945 33 F CB 1.325 40.307 39.000 -0.029 0.000 1.181 33 F HN -0.386 nan 8.300 nan 0.000 0.435 34 R N 1.815 122.394 120.500 0.132 0.000 2.502 34 R HA 0.586 4.926 4.340 0.000 0.000 0.300 34 R C 0.069 176.403 176.300 0.056 0.000 0.984 34 R CA -0.740 55.392 56.100 0.053 0.000 0.882 34 R CB 1.989 32.293 30.300 0.006 0.000 1.180 34 R HN 0.820 nan 8.270 nan 0.000 0.444 35 G N 1.027 109.844 108.800 0.028 0.000 2.547 35 G HA2 0.426 4.386 3.960 0.000 0.000 0.291 35 G HA3 0.426 4.386 3.960 0.000 0.000 0.291 35 G C -0.225 174.699 174.900 0.040 0.000 1.211 35 G CA -0.626 44.496 45.100 0.036 0.000 0.950 35 G HN 0.402 nan 8.290 nan 0.000 0.504 36 R N 0.933 121.481 120.500 0.079 0.000 2.674 36 R HA 0.220 4.560 4.340 0.000 0.000 0.270 36 R C -2.489 173.913 176.300 0.170 0.000 1.492 36 R CA -1.058 55.129 56.100 0.145 0.000 1.624 36 R CB 1.615 31.988 30.300 0.121 0.000 1.307 36 R HN 0.424 nan 8.270 nan 0.000 0.683 37 P HA 0.113 nan 4.420 nan 0.000 0.274 37 P C -0.202 177.213 177.300 0.191 0.000 1.246 37 P CA -0.241 62.956 63.100 0.163 0.000 0.795 37 P CB 1.154 32.938 31.700 0.140 0.000 1.006 38 D N -0.892 119.570 120.400 0.102 0.000 2.234 38 D HA 0.022 4.662 4.640 0.000 0.000 0.205 38 D C 0.396 176.703 176.300 0.012 0.000 0.962 38 D CA 1.118 55.139 54.000 0.035 0.000 0.855 38 D CB 0.355 41.166 40.800 0.018 0.000 0.951 38 D HN 0.084 nan 8.370 nan 0.000 0.500 39 V N 0.281 120.227 119.914 0.053 0.000 3.000 39 V HA 0.274 4.394 4.120 0.000 0.000 0.300 39 V C -1.595 174.494 176.094 -0.009 0.000 1.251 39 V CA -0.749 61.528 62.300 -0.038 0.000 0.972 39 V CB 2.442 34.123 31.823 -0.237 0.000 1.065 39 V HN -0.254 nan 8.190 nan 0.000 0.431 40 V N 6.849 126.751 119.914 -0.019 0.000 2.398 40 V HA 0.493 4.613 4.120 0.000 0.000 0.286 40 V C -0.929 175.094 176.094 -0.119 0.000 1.026 40 V CA -0.551 61.741 62.300 -0.013 0.000 0.868 40 V CB 1.366 33.201 31.823 0.019 0.000 0.982 40 V HN 0.799 nan 8.190 nan 0.000 0.443 41 Y N 3.146 123.471 120.300 0.040 0.000 2.350 41 Y HA 0.432 4.982 4.550 0.000 0.000 0.340 41 Y C 0.321 176.210 175.900 -0.017 0.000 1.006 41 Y CA -0.499 57.613 58.100 0.020 0.000 1.166 41 Y CB 1.570 40.042 38.460 0.021 0.000 1.168 41 Y HN 0.398 nan 8.280 nan 0.000 0.502 42 V N 6.121 126.089 119.914 0.091 0.000 2.334 42 V HA 0.285 4.405 4.120 0.000 0.000 0.267 42 V C -0.082 175.869 176.094 -0.238 0.000 1.040 42 V CA -0.752 61.521 62.300 -0.044 0.000 0.866 42 V CB 0.203 32.017 31.823 -0.015 0.000 1.019 42 V HN 0.581 nan 8.190 nan 0.000 0.468 43 V N 1.939 121.678 119.914 -0.292 0.000 2.713 43 V HA 0.612 4.732 4.120 0.000 0.000 0.307 43 V C 0.230 175.994 176.094 -0.550 0.000 1.052 43 V CA -0.343 61.758 62.300 -0.330 0.000 0.967 43 V CB 1.400 33.162 31.823 -0.102 0.000 1.019 43 V HN 0.816 nan 8.190 nan 0.000 0.459 44 H N 0.679 119.778 119.070 0.049 0.000 3.457 44 H HA 0.333 4.889 4.556 0.000 0.000 0.255 44 H C 0.747 176.096 175.328 0.036 0.000 1.082 44 H CA 0.715 56.788 56.048 0.042 0.000 1.189 44 H CB 1.023 30.811 29.762 0.042 0.000 1.511 44 H HN 0.949 nan 8.280 nan 0.000 0.527 45 T N -3.079 111.545 114.554 0.117 0.000 2.838 45 T HA 0.642 4.992 4.350 0.000 0.000 0.292 45 T C 1.172 175.896 174.700 0.041 0.000 1.113 45 T CA -0.365 61.783 62.100 0.080 0.000 1.008 45 T CB 1.798 70.716 68.868 0.084 0.000 1.259 45 T HN 0.023 nan 8.240 nan 0.000 0.520 46 A N 0.361 123.201 122.820 0.034 0.000 1.969 46 A HA 0.015 4.335 4.320 0.000 0.000 0.218 46 A C 1.840 179.436 177.584 0.020 0.000 1.169 46 A CA 1.571 53.618 52.037 0.016 0.000 0.635 46 A CB -1.048 17.963 19.000 0.018 0.000 0.810 46 A HN 0.871 nan 8.150 nan 0.000 0.445 47 D N -0.265 120.155 120.400 0.033 0.000 2.178 47 D HA -0.146 4.494 4.640 0.000 0.000 0.201 47 D C 2.050 178.365 176.300 0.025 0.000 0.980 47 D CA 1.263 55.281 54.000 0.031 0.000 0.842 47 D CB -0.294 40.529 40.800 0.038 0.000 0.948 47 D HN 0.617 nan 8.370 nan 0.000 0.472 48 Q N -0.021 119.798 119.800 0.032 0.000 2.230 48 Q HA -0.031 4.309 4.340 0.000 0.000 0.202 48 Q C 2.262 178.250 176.000 -0.020 0.000 0.963 48 Q CA 0.359 56.178 55.803 0.026 0.000 0.866 48 Q CB 0.381 29.157 28.738 0.063 0.000 0.931 48 Q HN 0.144 nan 8.270 nan 0.000 0.452 49 V N -0.044 119.859 119.914 -0.019 0.000 2.453 49 V HA -0.196 3.924 4.120 0.000 0.000 0.247 49 V C 2.162 178.234 176.094 -0.036 0.000 1.048 49 V CA 1.140 63.417 62.300 -0.038 0.000 1.049 49 V CB -0.238 31.571 31.823 -0.022 0.000 0.672 49 V HN 0.167 nan 8.190 nan 0.000 0.457 50 V N 0.465 120.372 119.914 -0.011 0.000 2.332 50 V HA -0.306 3.814 4.120 0.000 0.000 0.248 50 V C 2.363 178.439 176.094 -0.030 0.000 1.055 50 V CA 2.507 64.806 62.300 -0.002 0.000 1.038 50 V CB -0.608 31.224 31.823 0.014 0.000 0.651 50 V HN 0.610 nan 8.190 nan 0.000 0.450 51 D N -0.129 120.245 120.400 -0.044 0.000 2.117 51 D HA -0.086 4.554 4.640 0.000 0.000 0.198 51 D C 2.161 178.364 176.300 -0.163 0.000 0.982 51 D CA 1.454 55.418 54.000 -0.059 0.000 0.828 51 D CB -0.144 40.645 40.800 -0.019 0.000 0.967 51 D HN 0.354 nan 8.370 nan 0.000 0.464 52 A N -0.004 122.636 122.820 -0.300 0.000 1.902 52 A HA -0.126 4.194 4.320 0.000 0.000 0.217 52 A C 2.561 179.855 177.584 -0.483 0.000 1.181 52 A CA 1.630 53.214 52.037 -0.756 0.000 0.623 52 A CB -0.860 17.623 19.000 -0.861 0.000 0.818 52 A HN 0.204 nan 8.150 nan 0.000 0.443 53 V N 0.762 120.549 119.914 -0.213 0.000 2.358 53 V HA -0.244 3.876 4.120 0.000 0.000 0.246 53 V C 2.340 178.390 176.094 -0.074 0.000 1.047 53 V CA 2.168 64.415 62.300 -0.088 0.000 1.035 53 V CB -0.990 30.854 31.823 0.036 0.000 0.658 53 V HN 0.546 nan 8.190 nan 0.000 0.452 54 N N 0.209 118.872 118.700 -0.061 0.000 2.104 54 N HA -0.199 4.541 4.740 0.000 0.000 0.190 54 N C 1.914 177.407 175.510 -0.029 0.000 1.024 54 N CA 1.556 54.587 53.050 -0.032 0.000 0.853 54 N CB -0.349 38.128 38.487 -0.016 0.000 1.008 54 N HN 0.604 nan 8.380 nan 0.000 0.424 55 Q N -0.036 119.735 119.800 -0.049 0.000 2.119 55 Q HA 0.062 4.402 4.340 0.000 0.000 0.201 55 Q C 2.065 178.096 176.000 0.052 0.000 0.972 55 Q CA 1.285 57.098 55.803 0.017 0.000 0.847 55 Q CB -0.131 28.649 28.738 0.070 0.000 0.903 55 Q HN 0.385 nan 8.270 nan 0.000 0.433 56 A N 1.068 123.896 122.820 0.013 0.000 1.902 56 A HA -0.171 4.149 4.320 0.000 0.000 0.217 56 A C 2.083 179.683 177.584 0.027 0.000 1.181 56 A CA 1.324 53.401 52.037 0.067 0.000 0.623 56 A CB -0.446 18.582 19.000 0.048 0.000 0.818 56 A HN 0.272 nan 8.150 nan 0.000 0.443 57 M N -0.819 118.777 119.600 -0.008 0.000 2.175 57 M HA -0.099 4.381 4.480 0.000 0.000 0.264 57 M C 2.454 178.753 176.300 -0.001 0.000 1.063 57 M CA 1.257 56.546 55.300 -0.018 0.000 1.119 57 M CB -0.349 32.230 32.600 -0.034 0.000 1.377 57 M HN 0.485 nan 8.290 nan 0.000 0.415 58 A N -0.057 122.768 122.820 0.009 0.000 2.070 58 A HA 0.065 4.385 4.320 0.000 0.000 0.220 58 A C 2.002 179.598 177.584 0.020 0.000 1.159 58 A CA 1.721 53.767 52.037 0.014 0.000 0.656 58 A CB -0.527 18.485 19.000 0.020 0.000 0.800 58 A HN 0.511 nan 8.150 nan 0.000 0.453 59 A N -2.398 120.440 122.820 0.029 0.000 2.390 59 A HA 0.468 4.788 4.320 0.000 0.000 0.232 59 A C 1.598 179.197 177.584 0.025 0.000 1.233 59 A CA 0.989 53.044 52.037 0.031 0.000 0.907 59 A CB -0.464 18.564 19.000 0.047 0.000 0.967 59 A HN 1.771 nan 8.150 nan 0.000 0.512 60 G N -0.496 108.314 108.800 0.017 0.000 2.143 60 G HA2 -0.269 3.691 3.960 0.000 0.000 0.249 60 G HA3 -0.269 3.691 3.960 0.000 0.000 0.249 60 G C 0.037 174.944 174.900 0.012 0.000 0.981 60 G CA 0.324 45.429 45.100 0.008 0.000 0.665 60 G HN 0.613 nan 8.290 nan 0.000 0.528 61 Q N 0.101 119.918 119.800 0.027 0.000 2.297 61 Q HA 0.324 4.664 4.340 0.000 0.000 0.267 61 Q C 0.953 176.966 176.000 0.021 0.000 1.006 61 Q CA -0.300 55.526 55.803 0.038 0.000 0.896 61 Q CB 0.678 29.461 28.738 0.075 0.000 1.186 61 Q HN 0.462 nan 8.270 nan 0.000 0.392 62 R N 3.174 123.684 120.500 0.016 0.000 2.585 62 R HA 0.074 4.414 4.340 0.000 0.000 0.275 62 R C -0.730 175.583 176.300 0.022 0.000 1.018 62 R CA 0.204 56.305 56.100 0.002 0.000 1.072 62 R CB 0.317 30.623 30.300 0.011 0.000 0.953 62 R HN 0.586 nan 8.270 nan 0.000 0.419 63 I N 3.057 123.625 120.570 -0.003 0.000 2.437 63 I HA 0.453 4.623 4.170 0.000 0.000 0.298 63 I C -0.175 176.007 176.117 0.109 0.000 0.984 63 I CA -0.540 60.791 61.300 0.052 0.000 1.214 63 I CB 1.940 39.944 38.000 0.006 0.000 1.365 63 I HN 0.721 nan 8.210 nan 0.000 0.469 64 A N 5.377 128.279 122.820 0.137 0.000 2.515 64 A HA 0.772 5.092 4.320 0.000 0.000 0.298 64 A C -1.204 176.459 177.584 0.131 0.000 1.059 64 A CA -0.508 51.615 52.037 0.144 0.000 0.698 64 A CB 1.681 20.741 19.000 0.100 0.000 1.289 64 A HN 0.367 nan 8.150 nan 0.000 0.404 65 V N 1.695 121.676 119.914 0.112 0.000 2.472 65 V HA 0.636 4.756 4.120 0.000 0.000 0.290 65 V C 0.355 176.475 176.094 0.043 0.000 1.037 65 V CA -0.528 61.815 62.300 0.071 0.000 0.908 65 V CB 1.422 33.266 31.823 0.035 0.000 0.985 65 V HN 0.924 nan 8.190 nan 0.000 0.454 66 R N 2.450 122.972 120.500 0.038 0.000 2.670 66 R HA 0.649 4.989 4.340 0.000 0.000 0.289 66 R C -0.042 176.272 176.300 0.024 0.000 0.965 66 R CA -0.228 55.888 56.100 0.026 0.000 0.899 66 R CB 2.169 32.484 30.300 0.025 0.000 1.173 66 R HN 0.838 nan 8.270 nan 0.000 0.456 67 S N 1.458 117.173 115.700 0.024 0.000 3.169 67 S HA 0.177 4.647 4.470 0.000 0.000 0.174 67 S C 1.264 175.881 174.600 0.030 0.000 0.696 67 S CA 0.212 58.428 58.200 0.027 0.000 0.819 67 S CB 0.025 63.247 63.200 0.037 0.000 0.867 67 S HN 0.792 nan 8.310 nan 0.000 0.680 68 G N -0.101 108.718 108.800 0.032 0.000 2.712 68 G HA2 0.382 4.342 3.960 0.000 0.000 0.212 68 G HA3 0.382 4.342 3.960 0.000 0.000 0.212 68 G C 1.010 175.984 174.900 0.124 0.000 1.142 68 G CA 0.590 45.729 45.100 0.065 0.000 0.789 68 G HN 1.097 nan 8.290 nan 0.000 0.535 69 G N -0.368 108.470 108.800 0.063 0.000 2.162 69 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 69 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 69 G C 0.807 175.700 174.900 -0.011 0.000 0.976 69 G CA 0.535 45.652 45.100 0.028 0.000 0.655 69 G HN 0.591 nan 8.290 nan 0.000 0.533 70 H N -0.689 118.319 119.070 -0.104 0.000 2.533 70 H HA 0.140 4.696 4.556 0.000 0.000 0.271 70 H C 1.643 176.821 175.328 -0.250 0.000 1.000 70 H CA 0.401 56.318 56.048 -0.220 0.000 1.149 70 H CB -0.061 29.423 29.762 -0.464 0.000 1.375 70 H HN 0.467 nan 8.280 nan 0.000 0.582 71 C N 1.641 120.898 119.300 -0.072 0.000 2.271 71 C HA -0.162 4.298 4.460 0.000 0.000 0.397 71 C C 1.889 176.890 174.990 0.019 0.000 1.533 71 C CA 0.193 59.154 59.018 -0.096 0.000 1.433 71 C CB -2.147 25.541 27.740 -0.088 0.000 2.511 71 C HN 0.504 nan 8.230 nan 0.000 0.610 72 F N 1.699 121.689 119.950 0.067 0.000 2.365 72 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 72 F C 2.260 178.101 175.800 0.069 0.000 1.090 72 F CA 0.657 58.749 58.000 0.154 0.000 1.408 72 F CB 0.141 39.291 39.000 0.251 0.000 1.060 72 F HN 0.647 nan 8.300 nan 0.000 0.534 73 E N -0.245 119.892 120.200 -0.105 0.000 2.481 73 E HA 0.120 4.470 4.350 0.000 0.000 0.198 73 E C 1.550 177.586 176.600 -0.940 0.000 1.027 73 E CA 0.532 56.613 56.400 -0.531 0.000 0.900 73 E CB 0.401 29.476 29.700 -1.042 0.000 0.993 73 E HN 0.328 nan 8.360 nan 0.000 0.482 74 G N 1.544 110.041 108.800 -0.505 0.000 2.225 74 G HA2 -0.332 3.628 3.960 0.000 0.000 0.267 74 G HA3 -0.332 3.628 3.960 0.000 0.000 0.267 74 G C 0.837 175.530 174.900 -0.346 0.000 1.024 74 G CA 0.660 45.538 45.100 -0.370 0.000 0.784 74 G HN 0.373 nan 8.290 nan 0.000 0.507 75 F N -0.220 119.582 119.950 -0.246 0.000 2.091 75 F HA -0.222 4.305 4.527 0.000 0.000 0.299 75 F C 2.827 178.553 175.800 -0.124 0.000 1.103 75 F CA 1.286 59.167 58.000 -0.199 0.000 1.228 75 F CB -0.495 38.347 39.000 -0.264 0.000 0.984 75 F HN 0.213 nan 8.300 nan 0.000 0.477 76 V N -0.328 119.634 119.914 0.079 0.000 2.453 76 V HA -0.326 3.794 4.120 0.000 0.000 0.252 76 V C 1.401 177.522 176.094 0.045 0.000 1.068 76 V CA 2.066 64.397 62.300 0.052 0.000 1.070 76 V CB -0.467 31.374 31.823 0.031 0.000 0.664 76 V HN 0.361 nan 8.190 nan 0.000 0.461 77 D N -0.873 119.543 120.400 0.028 0.000 2.349 77 D HA 0.034 4.674 4.640 0.000 0.000 0.214 77 D C 0.832 177.156 176.300 0.041 0.000 1.063 77 D CA -0.011 54.012 54.000 0.039 0.000 0.847 77 D CB -0.046 40.796 40.800 0.070 0.000 0.933 77 D HN 0.486 nan 8.370 nan 0.000 0.513 78 D N 1.743 122.160 120.400 0.029 0.000 2.571 78 D HA -0.086 4.554 4.640 0.000 0.000 0.231 78 D C -1.633 174.699 176.300 0.053 0.000 1.133 78 D CA -0.919 53.103 54.000 0.037 0.000 0.862 78 D CB 1.828 42.663 40.800 0.058 0.000 1.179 78 D HN -0.026 nan 8.370 nan 0.000 0.474 79 P HA -0.021 nan 4.420 nan 0.000 0.228 79 P C 0.524 177.857 177.300 0.054 0.000 1.151 79 P CA 0.713 63.849 63.100 0.061 0.000 0.770 79 P CB 0.187 31.925 31.700 0.063 0.000 0.786 80 A N -0.927 121.922 122.820 0.048 0.000 2.123 80 A HA 0.046 4.366 4.320 0.000 0.000 0.214 80 A C 1.006 178.615 177.584 0.043 0.000 1.152 80 A CA 0.313 52.374 52.037 0.040 0.000 0.728 80 A CB -0.704 18.316 19.000 0.032 0.000 0.814 80 A HN 0.026 nan 8.150 nan 0.000 0.464 81 V N 1.578 121.522 119.914 0.051 0.000 2.479 81 V HA 0.107 4.227 4.120 0.000 0.000 0.281 81 V C 1.160 177.294 176.094 0.066 0.000 1.031 81 V CA 0.025 62.359 62.300 0.058 0.000 1.038 81 V CB 0.749 32.610 31.823 0.063 0.000 0.981 81 V HN 0.455 nan 8.190 nan 0.000 0.478 82 R N 3.336 123.876 120.500 0.068 0.000 2.287 82 R HA 0.422 4.762 4.340 0.000 0.000 0.197 82 R C 0.370 176.727 176.300 0.095 0.000 0.900 82 R CA 0.614 56.759 56.100 0.074 0.000 1.052 82 R CB 0.725 31.060 30.300 0.058 0.000 1.117 82 R HN 0.646 nan 8.270 nan 0.000 0.568 83 A N 1.229 124.115 122.820 0.110 0.000 2.385 83 A HA 0.501 4.821 4.320 0.000 0.000 0.290 83 A C -0.939 176.743 177.584 0.164 0.000 1.094 83 A CA -0.556 51.578 52.037 0.161 0.000 0.729 83 A CB 1.644 20.779 19.000 0.225 0.000 1.194 83 A HN -0.042 nan 8.150 nan 0.000 0.442 84 V N 5.383 125.393 119.914 0.159 0.000 2.472 84 V HA 0.726 4.846 4.120 0.000 0.000 0.290 84 V C -0.291 175.918 176.094 0.192 0.000 1.037 84 V CA -0.794 61.590 62.300 0.140 0.000 0.908 84 V CB 1.247 33.119 31.823 0.081 0.000 0.985 84 V HN 0.842 nan 8.190 nan 0.000 0.454 85 I N 3.590 124.257 120.570 0.161 0.000 2.359 85 I HA 0.551 4.721 4.170 0.000 0.000 0.284 85 I C -0.742 175.425 176.117 0.084 0.000 1.018 85 I CA -0.307 61.083 61.300 0.150 0.000 1.173 85 I CB 1.277 39.339 38.000 0.104 0.000 1.326 85 I HN 0.566 nan 8.210 nan 0.000 0.462 86 D N 7.375 127.817 120.400 0.070 0.000 2.232 86 D HA 0.327 4.967 4.640 0.000 0.000 0.242 86 D C 0.453 176.754 176.300 0.002 0.000 1.093 86 D CA -0.462 53.556 54.000 0.031 0.000 0.845 86 D CB 1.843 42.658 40.800 0.025 0.000 1.124 86 D HN 0.583 nan 8.370 nan 0.000 0.467 87 M N 2.410 122.011 119.600 0.001 0.000 2.431 87 M HA -0.033 4.447 4.480 0.000 0.000 0.237 87 M C 1.690 177.990 176.300 0.001 0.000 1.130 87 M CA 0.027 55.321 55.300 -0.010 0.000 1.002 87 M CB -0.042 32.556 32.600 -0.002 0.000 1.524 87 M HN 0.334 nan 8.290 nan 0.000 0.482 88 S N 0.053 115.758 115.700 0.008 0.000 2.547 88 S HA -0.061 4.409 4.470 0.000 0.000 0.235 88 S C 1.458 176.081 174.600 0.037 0.000 0.980 88 S CA 0.598 58.812 58.200 0.024 0.000 0.941 88 S CB -0.147 63.068 63.200 0.025 0.000 0.763 88 S HN 0.478 nan 8.310 nan 0.000 0.532 89 Q N 0.121 119.943 119.800 0.037 0.000 2.360 89 Q HA 0.326 4.666 4.340 0.000 0.000 0.202 89 Q C -0.065 175.999 176.000 0.106 0.000 0.915 89 Q CA 0.196 56.056 55.803 0.095 0.000 0.943 89 Q CB -0.041 28.810 28.738 0.188 0.000 1.064 89 Q HN 0.628 nan 8.270 nan 0.000 0.511 90 M N 1.409 121.048 119.600 0.065 0.000 2.365 90 M HA 0.191 4.671 4.480 0.000 0.000 0.350 90 M C 0.360 176.698 176.300 0.062 0.000 1.274 90 M CA 0.245 55.584 55.300 0.065 0.000 1.252 90 M CB 0.458 33.078 32.600 0.033 0.000 1.297 90 M HN -0.108 nan 8.290 nan 0.000 0.438 91 R N 0.939 121.486 120.500 0.078 0.000 2.572 91 R HA 0.216 4.556 4.340 0.000 0.000 0.370 91 R C -0.302 176.057 176.300 0.099 0.000 1.005 91 R CA -0.293 55.851 56.100 0.073 0.000 1.146 91 R CB 0.590 30.929 30.300 0.064 0.000 1.390 91 R HN 0.614 nan 8.270 nan 0.000 0.553 92 Q N 1.459 121.335 119.800 0.127 0.000 2.330 92 Q HA 0.179 4.519 4.340 0.000 0.000 0.279 92 Q C -0.590 175.535 176.000 0.209 0.000 1.024 92 Q CA 0.405 56.330 55.803 0.204 0.000 0.900 92 Q CB 1.567 30.477 28.738 0.286 0.000 1.221 92 Q HN -0.074 nan 8.270 nan 0.000 0.396 93 V N 5.169 125.249 119.914 0.277 0.000 2.483 93 V HA 0.621 4.741 4.120 0.000 0.000 0.297 93 V C -0.762 175.614 176.094 0.470 0.000 1.027 93 V CA -0.667 61.791 62.300 0.264 0.000 0.855 93 V CB 0.537 32.501 31.823 0.236 0.000 0.995 93 V HN 0.691 nan 8.190 nan 0.000 0.424 94 F N 2.909 123.033 119.950 0.289 0.000 2.693 94 F HA 0.651 5.178 4.527 0.000 0.000 0.309 94 F C -1.460 174.571 175.800 0.385 0.000 1.129 94 F CA -1.533 56.703 58.000 0.394 0.000 0.948 94 F CB 1.433 40.592 39.000 0.265 0.000 1.315 94 F HN 0.433 nan 8.300 nan 0.000 0.447 95 Y N 2.171 122.750 120.300 0.464 0.000 2.404 95 Y HA 0.419 4.969 4.550 0.000 0.000 0.344 95 Y C -0.744 175.257 175.900 0.168 0.000 0.995 95 Y CA -0.446 57.621 58.100 -0.054 0.000 1.201 95 Y CB 0.696 38.951 38.460 -0.341 0.000 1.151 95 Y HN 0.768 nan 8.280 nan 0.000 0.517 96 D N 3.490 123.545 120.400 -0.575 0.000 2.460 96 D HA 0.245 4.885 4.640 0.000 0.000 0.232 96 D C 0.172 176.064 176.300 -0.680 0.000 1.079 96 D CA -0.330 53.541 54.000 -0.216 0.000 0.864 96 D CB 1.278 42.296 40.800 0.363 0.000 1.048 96 D HN 0.555 nan 8.370 nan 0.000 0.523 97 S N 2.176 117.554 115.700 -0.537 0.000 2.382 97 S HA -0.066 4.404 4.470 0.000 0.000 0.228 97 S C 2.181 176.639 174.600 -0.236 0.000 1.027 97 S CA 0.741 58.737 58.200 -0.339 0.000 0.991 97 S CB -0.298 62.940 63.200 0.064 0.000 0.823 97 S HN 0.692 nan 8.310 nan 0.000 0.469 98 G N 2.423 111.120 108.800 -0.171 0.000 2.505 98 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 98 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 98 G C 1.418 176.168 174.900 -0.249 0.000 1.145 98 G CA 0.913 45.917 45.100 -0.160 0.000 0.761 98 G HN 0.378 nan 8.290 nan 0.000 0.571 99 K N -0.517 119.660 120.400 -0.372 0.000 2.361 99 K HA 0.127 4.447 4.320 0.000 0.000 0.196 99 K C 1.139 177.443 176.600 -0.494 0.000 1.039 99 K CA -0.022 55.990 56.287 -0.458 0.000 1.001 99 K CB 0.361 32.443 32.500 -0.697 0.000 0.795 99 K HN 0.309 nan 8.250 nan 0.000 0.495 100 R N 0.006 120.235 120.500 -0.452 0.000 3.531 100 R HA -0.208 4.132 4.340 0.000 0.000 0.280 100 R C -0.995 175.026 176.300 -0.466 0.000 1.130 100 R CA 0.588 56.450 56.100 -0.396 0.000 0.757 100 R CB -1.503 28.636 30.300 -0.268 0.000 1.218 100 R HN 0.302 nan 8.270 nan 0.000 0.454 101 A N -0.218 122.218 122.820 -0.639 0.000 2.609 101 A HA 0.702 5.022 4.320 0.000 0.000 0.291 101 A C -1.095 176.255 177.584 -0.391 0.000 1.096 101 A CA -0.745 51.077 52.037 -0.359 0.000 0.684 101 A CB 0.811 19.735 19.000 -0.128 0.000 1.282 101 A HN 0.143 nan 8.150 nan 0.000 0.412 102 F N 1.123 121.107 119.950 0.058 0.000 2.411 102 F HA 0.560 5.087 4.527 -0.000 0.000 0.355 102 F C 1.007 176.787 175.800 -0.033 0.000 1.117 102 F CA 0.096 58.104 58.000 0.013 0.000 1.139 102 F CB 1.532 40.566 39.000 0.057 0.000 1.120 102 F HN 0.680 nan 8.300 nan 0.000 0.493 103 A N 3.464 126.092 122.820 -0.319 0.000 2.328 103 A HA 0.658 4.979 4.320 0.000 0.000 0.284 103 A C -0.539 176.760 177.584 -0.476 0.000 1.160 103 A CA -0.544 50.961 52.037 -0.887 0.000 0.818 103 A CB 0.556 18.396 19.000 -1.934 0.000 1.087 103 A HN 0.850 nan 8.150 nan 0.000 0.504 104 V N 0.986 120.745 119.914 -0.260 0.000 2.638 104 V HA 0.608 4.728 4.120 0.000 0.000 0.306 104 V C -0.532 175.550 176.094 -0.020 0.000 1.052 104 V CA -0.699 61.599 62.300 -0.003 0.000 0.885 104 V CB 1.483 33.457 31.823 0.251 0.000 0.999 104 V HN 0.909 nan 8.190 nan 0.000 0.424 105 E N 6.174 126.374 120.200 -0.000 0.000 2.313 105 E HA 0.387 4.737 4.350 0.000 0.000 0.272 105 E C -2.046 174.590 176.600 0.061 0.000 1.038 105 E CA -2.103 54.295 56.400 -0.003 0.000 0.863 105 E CB 1.877 31.588 29.700 0.017 0.000 1.060 105 E HN 0.674 nan 8.360 nan 0.000 0.402 106 P HA 0.001 nan 4.420 nan 0.000 0.258 106 P C 0.461 177.792 177.300 0.053 0.000 1.403 106 P CA 0.385 63.537 63.100 0.088 0.000 0.826 106 P CB 0.085 31.797 31.700 0.021 0.000 1.414 107 G N -0.552 108.272 108.800 0.040 0.000 2.944 107 G HA2 0.324 4.284 3.960 0.000 0.000 0.220 107 G HA3 0.324 4.284 3.960 0.000 0.000 0.220 107 G C 0.585 175.501 174.900 0.026 0.000 1.100 107 G CA 0.156 45.275 45.100 0.031 0.000 0.780 107 G HN 0.420 nan 8.290 nan 0.000 0.539 108 A N 0.312 123.150 122.820 0.029 0.000 2.425 108 A HA 0.594 4.914 4.320 0.000 0.000 0.249 108 A C 0.526 178.085 177.584 -0.042 0.000 1.084 108 A CA 0.155 52.197 52.037 0.008 0.000 0.781 108 A CB 0.395 19.409 19.000 0.023 0.000 1.019 108 A HN 0.114 nan 8.150 nan 0.000 0.490 109 T N 0.965 115.475 114.554 -0.072 0.000 2.847 109 T HA 0.382 4.732 4.350 0.000 0.000 0.279 109 T C 1.634 176.188 174.700 -0.244 0.000 0.984 109 T CA -0.429 61.585 62.100 -0.143 0.000 0.988 109 T CB 0.176 68.981 68.868 -0.105 0.000 1.040 109 T HN 0.456 nan 8.240 nan 0.000 0.528 110 L N 1.735 122.732 121.223 -0.375 0.000 2.046 110 L HA 0.046 4.386 4.340 0.000 0.000 0.208 110 L C 2.822 179.308 176.870 -0.640 0.000 1.077 110 L CA 1.601 56.068 54.840 -0.621 0.000 0.747 110 L CB -0.858 40.769 42.059 -0.719 0.000 0.896 110 L HN 0.868 nan 8.230 nan 0.000 0.432 111 G N -0.597 108.010 108.800 -0.321 0.000 2.418 111 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 111 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 111 G C 1.421 176.292 174.900 -0.048 0.000 1.158 111 G CA 0.516 45.553 45.100 -0.105 0.000 0.771 111 G HN 0.390 nan 8.290 nan 0.000 0.545 112 E N -0.089 120.067 120.200 -0.072 0.000 2.110 112 E HA -0.147 4.203 4.350 0.000 0.000 0.193 112 E C 2.907 179.514 176.600 0.011 0.000 0.988 112 E CA 1.579 57.971 56.400 -0.013 0.000 0.804 112 E CB -0.148 29.542 29.700 -0.016 0.000 0.745 112 E HN 0.618 nan 8.360 nan 0.000 0.458 113 T N -1.885 112.630 114.554 -0.066 0.000 2.896 113 T HA -0.120 4.230 4.350 0.000 0.000 0.263 113 T C 1.856 176.600 174.700 0.073 0.000 1.050 113 T CA 0.711 62.789 62.100 -0.037 0.000 1.140 113 T CB -0.570 68.198 68.868 -0.166 0.000 0.877 113 T HN 0.261 nan 8.240 nan 0.000 0.457 114 Y N 2.498 122.809 120.300 0.018 0.000 2.145 114 Y HA -0.141 4.409 4.550 0.000 0.000 0.286 114 Y C 3.098 179.111 175.900 0.189 0.000 1.145 114 Y CA 1.302 59.456 58.100 0.091 0.000 1.148 114 Y CB -0.114 38.362 38.460 0.027 0.000 0.981 114 Y HN 0.281 nan 8.280 nan 0.000 0.507 115 R N 0.718 121.398 120.500 0.300 0.000 2.073 115 R HA -0.058 4.282 4.340 0.000 0.000 0.229 115 R C 2.330 178.777 176.300 0.245 0.000 1.120 115 R CA 1.173 57.437 56.100 0.272 0.000 0.967 115 R CB -0.885 29.517 30.300 0.169 0.000 0.862 115 R HN 0.141 nan 8.270 nan 0.000 0.436 116 A N 1.585 124.524 122.820 0.198 0.000 1.892 116 A HA -0.144 4.176 4.320 0.000 0.000 0.218 116 A C 2.164 179.918 177.584 0.283 0.000 1.188 116 A CA 1.408 53.564 52.037 0.199 0.000 0.631 116 A CB -0.545 18.580 19.000 0.208 0.000 0.822 116 A HN 0.301 nan 8.150 nan 0.000 0.447 117 L N -2.166 119.250 121.223 0.323 0.000 2.093 117 L HA -0.085 4.255 4.340 0.000 0.000 0.208 117 L C 2.323 179.406 176.870 0.356 0.000 1.085 117 L CA 1.753 56.810 54.840 0.362 0.000 0.755 117 L CB -1.337 40.796 42.059 0.124 0.000 0.904 117 L HN 0.599 nan 8.230 nan 0.000 0.435 118 Y N -0.330 120.084 120.300 0.190 0.000 2.153 118 Y HA -0.166 4.384 4.550 -0.000 0.000 0.289 118 Y C 2.377 178.329 175.900 0.086 0.000 1.127 118 Y CA 1.461 59.644 58.100 0.138 0.000 1.131 118 Y CB -0.258 38.356 38.460 0.255 0.000 0.995 118 Y HN 0.038 nan 8.280 nan 0.000 0.505 119 L N -0.243 120.991 121.223 0.019 0.000 2.083 119 L HA -0.208 4.132 4.340 0.000 0.000 0.209 119 L C 1.761 178.467 176.870 -0.274 0.000 1.083 119 L CA 1.650 56.392 54.840 -0.164 0.000 0.752 119 L CB -0.547 41.491 42.059 -0.035 0.000 0.899 119 L HN 0.199 nan 8.230 nan 0.000 0.433 120 D N -1.500 118.705 120.400 -0.324 0.000 2.213 120 D HA -0.102 4.538 4.640 0.000 0.000 0.205 120 D C 1.640 177.458 176.300 -0.804 0.000 0.961 120 D CA 1.062 54.601 54.000 -0.768 0.000 0.853 120 D CB 0.198 40.104 40.800 -1.489 0.000 0.967 120 D HN 0.368 nan 8.370 nan 0.000 0.496 121 W N -0.971 120.294 121.300 -0.057 0.000 2.079 121 W HA 0.317 4.977 4.660 0.000 0.000 0.285 121 W C 0.920 177.364 176.519 -0.125 0.000 0.891 121 W CA 0.135 57.444 57.345 -0.059 0.000 1.308 121 W CB 0.265 29.739 29.460 0.024 0.000 1.047 121 W HN 0.065 nan 8.180 nan 0.000 0.522 122 G N 1.597 110.374 108.800 -0.037 0.000 2.162 122 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 122 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 122 G C -0.026 174.904 174.900 0.050 0.000 0.976 122 G CA 0.645 45.668 45.100 -0.129 0.000 0.655 122 G HN 0.026 nan 8.290 nan 0.000 0.533 123 V N -0.979 118.982 119.914 0.079 0.000 3.096 123 V HA 0.989 5.109 4.120 0.000 0.000 0.319 123 V C 0.553 176.590 176.094 -0.095 0.000 1.082 123 V CA 0.011 62.278 62.300 -0.056 0.000 1.022 123 V CB 1.684 33.409 31.823 -0.163 0.000 1.103 123 V HN 0.469 nan 8.190 nan 0.000 0.455 124 T N 1.241 115.670 114.554 -0.207 0.000 2.739 124 T HA 0.636 4.986 4.350 0.000 0.000 0.303 124 T C -0.978 173.588 174.700 -0.223 0.000 1.389 124 T CA -0.487 61.511 62.100 -0.170 0.000 1.001 124 T CB 1.845 70.554 68.868 -0.265 0.000 1.436 124 T HN 0.915 nan 8.240 nan 0.000 0.500 125 I N -1.002 119.490 120.570 -0.129 0.000 2.608 125 I HA 0.617 4.787 4.170 0.000 0.000 0.295 125 I C -2.732 173.365 176.117 -0.033 0.000 1.049 125 I CA -3.137 58.043 61.300 -0.200 0.000 1.063 125 I CB 2.611 40.398 38.000 -0.354 0.000 1.248 125 I HN 0.275 nan 8.210 nan 0.000 0.424 126 P HA 0.246 nan 4.420 nan 0.000 0.230 126 P C -0.102 177.261 177.300 0.106 0.000 1.791 126 P CA 0.210 63.331 63.100 0.036 0.000 1.020 126 P CB 0.136 31.875 31.700 0.067 0.000 1.977 127 A N 1.398 124.318 122.820 0.167 0.000 2.580 127 A HA 0.770 5.090 4.320 0.000 0.000 0.275 127 A C 0.809 178.449 177.584 0.094 0.000 1.321 127 A CA -0.312 51.834 52.037 0.182 0.000 0.924 127 A CB -0.276 18.775 19.000 0.085 0.000 1.512 127 A HN 0.334 nan 8.150 nan 0.000 0.492 128 G N -1.966 106.798 108.800 -0.059 0.000 2.667 128 G HA2 0.390 4.350 3.960 0.000 0.000 0.250 128 G HA3 0.390 4.350 3.960 0.000 0.000 0.250 128 G C 0.653 175.412 174.900 -0.235 0.000 1.212 128 G CA 0.268 45.205 45.100 -0.273 0.000 0.874 128 G HN 0.715 nan 8.290 nan 0.000 0.561 129 V N -0.358 119.361 119.914 -0.326 0.000 2.649 129 V HA -0.052 4.068 4.120 0.000 0.000 0.248 129 V C 1.245 177.135 176.094 -0.340 0.000 1.054 129 V CA 0.523 62.673 62.300 -0.250 0.000 1.073 129 V CB -0.519 31.171 31.823 -0.222 0.000 0.699 129 V HN 0.604 nan 8.190 nan 0.000 0.463 130 C N 2.611 121.575 119.300 -0.561 0.000 2.464 130 C HA 0.296 4.756 4.460 0.000 0.000 0.370 130 C C -0.443 174.289 174.990 -0.429 0.000 1.267 130 C CA -0.886 57.755 59.018 -0.629 0.000 1.781 130 C CB 0.338 27.584 27.740 -0.822 0.000 2.431 130 C HN 0.357 nan 8.230 nan 0.000 0.556 131 P HA -0.144 nan 4.420 nan 0.000 0.217 131 P C 1.385 178.544 177.300 -0.235 0.000 1.150 131 P CA 1.180 64.165 63.100 -0.192 0.000 0.832 131 P CB 0.138 31.799 31.700 -0.065 0.000 0.787 132 Q N -0.661 119.007 119.800 -0.219 0.000 2.472 132 Q HA 0.032 4.372 4.340 0.000 0.000 0.208 132 Q C 0.107 175.901 176.000 -0.344 0.000 0.958 132 Q CA -0.010 55.691 55.803 -0.171 0.000 0.932 132 Q CB -0.198 28.541 28.738 0.002 0.000 1.007 132 Q HN 0.001 nan 8.270 nan 0.000 0.508 133 V N 0.958 120.500 119.914 -0.621 0.000 2.673 133 V HA 0.077 4.197 4.120 0.000 0.000 0.303 133 V C 0.807 176.669 176.094 -0.387 0.000 1.046 133 V CA 0.385 62.249 62.300 -0.727 0.000 1.126 133 V CB 0.875 32.228 31.823 -0.782 0.000 0.934 133 V HN 0.342 nan 8.190 nan 0.000 0.487 134 G N 3.541 112.207 108.800 -0.224 0.000 2.390 134 G HA2 0.369 4.329 3.960 0.000 0.000 0.270 134 G HA3 0.369 4.329 3.960 0.000 0.000 0.270 134 G C 0.900 175.751 174.900 -0.081 0.000 1.211 134 G CA -0.424 44.613 45.100 -0.105 0.000 0.842 134 G HN 0.562 nan 8.290 nan 0.000 0.519 135 V N 3.683 123.567 119.914 -0.050 0.000 2.255 135 V HA -0.184 3.936 4.120 0.000 0.000 0.247 135 V C 3.135 179.316 176.094 0.146 0.000 1.051 135 V CA 2.753 65.060 62.300 0.011 0.000 1.018 135 V CB -1.103 30.754 31.823 0.057 0.000 0.641 135 V HN 0.883 nan 8.190 nan 0.000 0.445 136 G N 0.165 109.085 108.800 0.199 0.000 2.681 136 G HA2 -0.318 3.642 3.960 0.000 0.000 0.220 136 G HA3 -0.318 3.642 3.960 0.000 0.000 0.220 136 G C 1.529 176.555 174.900 0.210 0.000 1.210 136 G CA 1.281 46.532 45.100 0.252 0.000 0.783 136 G HN 0.655 nan 8.290 nan 0.000 0.609 137 G N -1.159 107.703 108.800 0.103 0.000 2.650 137 G HA2 0.076 4.036 3.960 0.000 0.000 0.214 137 G HA3 0.076 4.036 3.960 0.000 0.000 0.214 137 G C 1.420 176.343 174.900 0.040 0.000 1.136 137 G CA 1.259 46.392 45.100 0.055 0.000 0.789 137 G HN 0.664 nan 8.290 nan 0.000 0.536 138 H N -0.475 118.562 119.070 -0.055 0.000 2.361 138 H HA 0.157 4.713 4.556 0.000 0.000 0.308 138 H C 2.426 177.709 175.328 -0.075 0.000 1.053 138 H CA 0.968 56.955 56.048 -0.102 0.000 1.377 138 H CB 0.081 29.750 29.762 -0.155 0.000 1.434 138 H HN -0.002 nan 8.280 nan 0.000 0.548 139 V N 1.309 121.164 119.914 -0.098 0.000 2.407 139 V HA -0.223 3.897 4.120 0.000 0.000 0.248 139 V C 2.160 178.173 176.094 -0.134 0.000 1.055 139 V CA 1.751 63.923 62.300 -0.214 0.000 1.049 139 V CB -0.649 30.819 31.823 -0.592 0.000 0.662 139 V HN 0.481 nan 8.190 nan 0.000 0.455 140 L N 0.530 121.755 121.223 0.003 0.000 2.376 140 L HA 0.237 4.577 4.340 0.000 0.000 0.219 140 L C 2.176 179.026 176.870 -0.033 0.000 1.133 140 L CA 1.803 56.687 54.840 0.072 0.000 0.816 140 L CB -1.782 40.388 42.059 0.184 0.000 0.933 140 L HN 0.142 nan 8.230 nan 0.000 0.449 141 G N -0.577 108.170 108.800 -0.087 0.000 2.920 141 G HA2 0.334 4.294 3.960 0.000 0.000 0.208 141 G HA3 0.334 4.294 3.960 0.000 0.000 0.208 141 G C 1.089 175.990 174.900 0.001 0.000 1.159 141 G CA 0.200 45.236 45.100 -0.107 0.000 0.784 141 G HN 0.792 nan 8.290 nan 0.000 0.535 142 G N -0.366 108.430 108.800 -0.007 0.000 2.401 142 G HA2 0.184 4.144 3.960 0.000 0.000 0.283 142 G HA3 0.184 4.144 3.960 0.000 0.000 0.283 142 G C 0.614 175.637 174.900 0.205 0.000 1.117 142 G CA -0.008 45.151 45.100 0.098 0.000 1.051 142 G HN 0.935 nan 8.290 nan 0.000 0.510 143 G N -0.299 108.457 108.800 -0.075 0.000 2.614 143 G HA2 0.654 4.614 3.960 0.000 0.000 0.239 143 G HA3 0.654 4.614 3.960 0.000 0.000 0.239 143 G C -0.039 174.999 174.900 0.231 0.000 1.240 143 G CA 0.370 45.393 45.100 -0.128 0.000 0.842 143 G HN 1.844 nan 8.290 nan 0.000 0.584 144 Y N -1.102 119.278 120.300 0.133 0.000 2.638 144 Y HA 0.841 5.391 4.550 0.000 0.000 0.339 144 Y C 0.151 176.090 175.900 0.065 0.000 1.084 144 Y CA -0.895 57.260 58.100 0.092 0.000 1.068 144 Y CB 1.453 39.966 38.460 0.090 0.000 1.294 144 Y HN 1.049 nan 8.280 nan 0.000 0.480 145 G N -0.177 108.555 108.800 -0.114 0.000 2.489 145 G HA2 0.392 4.352 3.960 0.000 0.000 0.305 145 G HA3 0.392 4.352 3.960 0.000 0.000 0.305 145 G C -2.782 171.931 174.900 -0.312 0.000 1.311 145 G CA -1.162 43.744 45.100 -0.323 0.000 0.813 145 G HN 0.322 nan 8.290 nan 0.000 0.480 146 P HA -0.034 nan 4.420 nan 0.000 0.218 146 P C 1.240 178.465 177.300 -0.126 0.000 1.146 146 P CA 1.086 63.912 63.100 -0.458 0.000 0.820 146 P CB 0.143 31.731 31.700 -0.186 0.000 0.778 147 L N -2.060 119.126 121.223 -0.062 0.000 2.965 147 L HA 0.197 4.537 4.340 0.000 0.000 0.254 147 L C 1.506 178.383 176.870 0.011 0.000 1.220 147 L CA 0.141 54.977 54.840 -0.007 0.000 1.023 147 L CB -0.106 41.939 42.059 -0.024 0.000 1.355 147 L HN -0.157 nan 8.230 nan 0.000 0.545 148 S N -0.307 115.406 115.700 0.021 0.000 2.446 148 S HA -0.002 4.468 4.470 0.000 0.000 0.225 148 S C 1.948 176.537 174.600 -0.019 0.000 1.016 148 S CA 0.617 58.833 58.200 0.026 0.000 0.943 148 S CB 0.014 63.248 63.200 0.058 0.000 0.786 148 S HN 0.427 nan 8.310 nan 0.000 0.508 149 R N 0.948 121.455 120.500 0.012 0.000 2.189 149 R HA 0.133 4.473 4.340 0.000 0.000 0.223 149 R C 2.418 178.725 176.300 0.012 0.000 1.092 149 R CA 0.616 56.714 56.100 -0.003 0.000 0.989 149 R CB -0.065 30.276 30.300 0.068 0.000 0.876 149 R HN 0.176 nan 8.270 nan 0.000 0.457 150 R N 0.401 120.916 120.500 0.025 0.000 2.075 150 R HA -0.033 4.307 4.340 0.000 0.000 0.220 150 R C 0.330 176.650 176.300 0.032 0.000 1.118 150 R CA 1.206 57.319 56.100 0.021 0.000 0.986 150 R CB 0.416 30.722 30.300 0.010 0.000 0.884 150 R HN 0.111 nan 8.270 nan 0.000 0.439 151 D N -0.777 119.654 120.400 0.051 0.000 2.433 151 D HA 0.216 4.856 4.640 0.000 0.000 0.211 151 D C 0.598 177.027 176.300 0.215 0.000 1.114 151 D CA 0.761 54.838 54.000 0.129 0.000 0.837 151 D CB 1.227 42.074 40.800 0.078 0.000 0.984 151 D HN 0.432 nan 8.370 nan 0.000 0.505 152 G N 0.370 109.229 108.800 0.098 0.000 2.660 152 G HA2 -0.217 3.743 3.960 0.000 0.000 0.247 152 G HA3 -0.217 3.743 3.960 0.000 0.000 0.247 152 G C -0.300 174.658 174.900 0.097 0.000 1.328 152 G CA -0.516 44.619 45.100 0.059 0.000 0.884 152 G HN 0.091 nan 8.290 nan 0.000 0.531 153 V N 0.059 120.020 119.914 0.078 0.000 3.133 153 V HA 0.308 4.428 4.120 0.000 0.000 0.305 153 V C 2.139 178.343 176.094 0.183 0.000 1.084 153 V CA 0.614 62.991 62.300 0.128 0.000 1.089 153 V CB 1.417 33.303 31.823 0.106 0.000 1.073 153 V HN 1.550 nan 8.190 nan 0.000 0.477 154 V N 3.380 123.409 119.914 0.191 0.000 2.370 154 V HA -0.258 3.862 4.120 0.000 0.000 0.252 154 V C 2.296 178.547 176.094 0.261 0.000 1.068 154 V CA 2.708 65.135 62.300 0.212 0.000 1.061 154 V CB -0.503 31.405 31.823 0.142 0.000 0.656 154 V HN 1.063 nan 8.190 nan 0.000 0.455 155 A N -1.080 121.839 122.820 0.166 0.000 2.119 155 A HA -0.147 4.173 4.320 0.000 0.000 0.217 155 A C 1.792 179.458 177.584 0.136 0.000 1.153 155 A CA 1.400 53.517 52.037 0.133 0.000 0.692 155 A CB -0.515 18.494 19.000 0.015 0.000 0.799 155 A HN 0.622 nan 8.150 nan 0.000 0.458 156 D N -0.562 119.871 120.400 0.054 0.000 2.378 156 D HA -0.061 4.579 4.640 0.000 0.000 0.222 156 D C 0.533 176.624 176.300 -0.348 0.000 0.980 156 D CA 0.821 54.734 54.000 -0.144 0.000 0.907 156 D CB -0.143 40.502 40.800 -0.259 0.000 0.899 156 D HN 0.641 nan 8.370 nan 0.000 0.527 157 H N -0.753 118.477 119.070 0.265 0.000 2.662 157 H HA 0.169 4.725 4.556 0.000 0.000 0.268 157 H C 0.004 175.607 175.328 0.458 0.000 1.152 157 H CA -0.474 55.766 56.048 0.319 0.000 1.072 157 H CB 0.836 30.757 29.762 0.265 0.000 1.660 157 H HN 0.019 nan 8.280 nan 0.000 0.584 158 L N 1.236 122.745 121.223 0.477 0.000 2.260 158 L HA 0.093 4.433 4.340 0.000 0.000 0.289 158 L C 0.943 178.098 176.870 0.475 0.000 1.057 158 L CA -0.201 54.887 54.840 0.413 0.000 0.811 158 L CB 0.489 42.759 42.059 0.351 0.000 1.184 158 L HN 0.111 nan 8.230 nan 0.000 0.429 159 Y N 5.517 125.930 120.300 0.187 0.000 2.301 159 Y HA 0.551 5.101 4.550 -0.000 0.000 0.295 159 Y C 0.649 176.508 175.900 -0.068 0.000 1.119 159 Y CA 0.672 58.784 58.100 0.021 0.000 1.162 159 Y CB 0.438 38.903 38.460 0.008 0.000 1.046 159 Y HN 0.666 nan 8.280 nan 0.000 0.538 160 A N -0.353 122.465 122.820 -0.003 0.000 2.564 160 A HA 0.619 4.939 4.320 0.000 0.000 0.291 160 A C -2.146 175.561 177.584 0.206 0.000 1.102 160 A CA -0.223 51.768 52.037 -0.076 0.000 0.660 160 A CB 1.180 19.955 19.000 -0.376 0.000 1.283 160 A HN 0.135 nan 8.150 nan 0.000 0.430 161 V N 0.069 120.035 119.914 0.087 0.000 2.971 161 V HA 0.621 4.741 4.120 0.000 0.000 0.309 161 V C -1.516 174.544 176.094 -0.058 0.000 1.130 161 V CA -0.559 61.719 62.300 -0.036 0.000 0.964 161 V CB 2.153 33.783 31.823 -0.323 0.000 1.029 161 V HN 1.009 nan 8.190 nan 0.000 0.427 162 E N 4.700 124.871 120.200 -0.048 0.000 2.156 162 E HA 0.703 5.053 4.350 0.000 0.000 0.279 162 E C -1.310 175.187 176.600 -0.171 0.000 0.965 162 E CA -0.673 55.698 56.400 -0.049 0.000 0.789 162 E CB 2.214 31.955 29.700 0.068 0.000 1.098 162 E HN 0.420 nan 8.360 nan 0.000 0.397 163 V N 2.718 122.537 119.914 -0.157 0.000 2.709 163 V HA 0.258 4.378 4.120 0.000 0.000 0.308 163 V C -0.350 175.697 176.094 -0.078 0.000 1.062 163 V CA -1.068 61.133 62.300 -0.165 0.000 0.901 163 V CB 2.039 33.730 31.823 -0.220 0.000 1.003 163 V HN 0.509 nan 8.190 nan 0.000 0.425 164 V N 5.288 125.162 119.914 -0.066 0.000 2.364 164 V HA 0.531 4.651 4.120 0.000 0.000 0.272 164 V C 0.069 176.193 176.094 0.049 0.000 1.036 164 V CA -0.252 62.049 62.300 0.002 0.000 0.880 164 V CB 1.439 33.268 31.823 0.011 0.000 0.991 164 V HN 0.764 nan 8.190 nan 0.000 0.460 165 V N 3.730 123.722 119.914 0.130 0.000 3.046 165 V HA 0.815 4.935 4.120 0.000 0.000 0.316 165 V C -0.516 175.728 176.094 0.249 0.000 1.104 165 V CA -0.852 61.594 62.300 0.242 0.000 1.006 165 V CB 2.216 34.204 31.823 0.275 0.000 1.058 165 V HN 0.383 nan 8.190 nan 0.000 0.440 166 V N 1.432 121.513 119.914 0.279 0.000 2.487 166 V HA 0.418 4.538 4.120 0.000 0.000 0.298 166 V C -0.348 175.826 176.094 0.134 0.000 1.028 166 V CA -0.361 62.040 62.300 0.169 0.000 0.860 166 V CB 1.227 33.116 31.823 0.109 0.000 0.991 166 V HN 1.006 nan 8.190 nan 0.000 0.427 167 D N 2.812 123.268 120.400 0.093 0.000 2.443 167 D HA 0.155 4.795 4.640 0.000 0.000 0.234 167 D C 1.170 177.491 176.300 0.035 0.000 1.172 167 D CA 0.736 54.772 54.000 0.059 0.000 0.878 167 D CB 1.458 42.283 40.800 0.042 0.000 1.204 167 D HN 0.664 nan 8.370 nan 0.000 0.453 168 A N 1.599 124.427 122.820 0.014 0.000 2.019 168 A HA -0.169 4.151 4.320 0.000 0.000 0.219 168 A C 1.974 179.558 177.584 0.001 0.000 1.164 168 A CA 1.898 53.935 52.037 0.001 0.000 0.644 168 A CB -0.457 18.533 19.000 -0.017 0.000 0.805 168 A HN 0.519 nan 8.150 nan 0.000 0.449 169 S N -1.493 114.209 115.700 0.004 0.000 2.561 169 S HA 0.329 4.800 4.470 0.000 0.000 0.225 169 S C 1.354 175.959 174.600 0.007 0.000 0.977 169 S CA 1.163 59.365 58.200 0.004 0.000 0.926 169 S CB -0.489 62.714 63.200 0.005 0.000 0.769 169 S HN 1.981 nan 8.310 nan 0.000 0.533 170 G N 0.656 109.463 108.800 0.012 0.000 2.132 170 G HA2 -0.233 3.727 3.960 0.000 0.000 0.228 170 G HA3 -0.233 3.727 3.960 0.000 0.000 0.228 170 G C -0.060 174.849 174.900 0.015 0.000 1.000 170 G CA -0.051 45.054 45.100 0.008 0.000 0.693 170 G HN 0.630 nan 8.290 nan 0.000 0.515 171 R N 0.242 120.757 120.500 0.026 0.000 2.445 171 R HA 0.684 5.024 4.340 0.000 0.000 0.308 171 R C 0.662 176.991 176.300 0.048 0.000 0.961 171 R CA 0.059 56.177 56.100 0.030 0.000 0.862 171 R CB 1.195 31.511 30.300 0.027 0.000 1.144 171 R HN 0.546 nan 8.270 nan 0.000 0.447 172 A N 4.293 127.141 122.820 0.046 0.000 2.477 172 A HA 0.300 4.620 4.320 0.000 0.000 0.246 172 A C -0.324 177.298 177.584 0.064 0.000 1.078 172 A CA 0.094 52.172 52.037 0.068 0.000 0.770 172 A CB 0.343 19.375 19.000 0.054 0.000 1.011 172 A HN 0.742 nan 8.150 nan 0.000 0.494 173 R N 1.625 122.174 120.500 0.082 0.000 2.698 173 R HA 0.445 4.785 4.340 0.000 0.000 0.275 173 R C -0.868 175.474 176.300 0.070 0.000 1.001 173 R CA -0.950 55.193 56.100 0.072 0.000 0.896 173 R CB 2.170 32.518 30.300 0.081 0.000 1.218 173 R HN 0.829 nan 8.270 nan 0.000 0.462 174 K N 1.672 122.102 120.400 0.051 0.000 2.130 174 K HA 0.509 4.829 4.320 0.000 0.000 0.268 174 K C -0.515 176.108 176.600 0.039 0.000 0.983 174 K CA -0.519 55.789 56.287 0.036 0.000 0.893 174 K CB 1.624 34.140 32.500 0.028 0.000 1.066 174 K HN 0.481 nan 8.250 nan 0.000 0.450 175 V N -0.032 119.892 119.914 0.017 0.000 2.971 175 V HA 0.584 4.704 4.120 0.000 0.000 0.309 175 V C -1.143 174.926 176.094 -0.043 0.000 1.130 175 V CA -0.973 61.333 62.300 0.010 0.000 0.964 175 V CB 1.819 33.668 31.823 0.043 0.000 1.029 175 V HN 0.525 nan 8.190 nan 0.000 0.427 176 V N 2.920 122.809 119.914 -0.042 0.000 2.483 176 V HA 0.915 5.035 4.120 0.000 0.000 0.295 176 V C 0.490 176.514 176.094 -0.115 0.000 1.035 176 V CA 0.216 62.472 62.300 -0.074 0.000 0.896 176 V CB 1.530 33.314 31.823 -0.065 0.000 0.986 176 V HN 1.480 nan 8.190 nan 0.000 0.447 177 A N 3.118 125.845 122.820 -0.154 0.000 2.353 177 A HA 0.789 5.109 4.320 0.000 0.000 0.299 177 A C -0.376 177.092 177.584 -0.194 0.000 1.089 177 A CA -0.435 51.505 52.037 -0.161 0.000 0.736 177 A CB 1.849 20.731 19.000 -0.198 0.000 1.195 177 A HN 0.685 nan 8.150 nan 0.000 0.447 178 T N 0.106 114.476 114.554 -0.307 0.000 2.942 178 T HA 0.471 4.821 4.350 0.000 0.000 0.289 178 T C 1.325 175.586 174.700 -0.731 0.000 1.044 178 T CA 0.327 62.045 62.100 -0.636 0.000 1.023 178 T CB 1.263 69.696 68.868 -0.725 0.000 1.123 178 T HN 1.191 nan 8.240 nan 0.000 0.512 179 S N 1.152 116.107 115.700 -1.242 0.000 2.603 179 S HA 0.339 4.810 4.470 0.000 0.000 0.220 179 S C 0.932 175.146 174.600 -0.643 0.000 0.967 179 S CA -0.128 57.248 58.200 -1.373 0.000 0.920 179 S CB -0.415 61.594 63.200 -1.985 0.000 0.773 179 S HN 0.882 nan 8.310 nan 0.000 0.529 180 A N 1.240 123.786 122.820 -0.456 0.000 2.511 180 A HA 0.664 4.984 4.320 0.000 0.000 0.242 180 A C 1.718 179.201 177.584 -0.169 0.000 1.069 180 A CA 0.198 52.092 52.037 -0.239 0.000 0.763 180 A CB -0.422 18.474 19.000 -0.174 0.000 1.001 180 A HN 0.872 nan 8.150 nan 0.000 0.498 181 A N 2.098 124.850 122.820 -0.114 0.000 1.954 181 A HA -0.262 4.058 4.320 0.000 0.000 0.222 181 A C 1.312 178.860 177.584 -0.059 0.000 1.199 181 A CA 2.469 54.462 52.037 -0.073 0.000 0.657 181 A CB -0.558 18.410 19.000 -0.053 0.000 0.823 181 A HN 0.944 nan 8.150 nan 0.000 0.463 182 D N -1.476 118.888 120.400 -0.061 0.000 2.431 182 D HA 0.126 4.766 4.640 0.000 0.000 0.213 182 D C -0.171 176.103 176.300 -0.043 0.000 1.130 182 D CA -0.196 53.778 54.000 -0.044 0.000 0.834 182 D CB -0.415 40.361 40.800 -0.039 0.000 0.985 182 D HN 0.259 nan 8.370 nan 0.000 0.504 183 D N 2.301 122.665 120.400 -0.060 0.000 2.401 183 D HA 0.028 4.668 4.640 0.000 0.000 0.254 183 D C -1.168 175.131 176.300 -0.001 0.000 1.192 183 D CA -1.564 52.404 54.000 -0.053 0.000 0.885 183 D CB 1.695 42.430 40.800 -0.109 0.000 1.147 183 D HN -0.031 nan 8.370 nan 0.000 0.478 184 P HA -0.034 nan 4.420 nan 0.000 0.230 184 P C 0.024 177.423 177.300 0.165 0.000 1.158 184 P CA 0.421 63.560 63.100 0.064 0.000 0.769 184 P CB 0.417 32.146 31.700 0.048 0.000 0.807 185 N N -0.339 118.456 118.700 0.159 0.000 2.273 185 N HA 0.092 4.832 4.740 0.000 0.000 0.231 185 N C 1.476 177.037 175.510 0.083 0.000 1.134 185 N CA -0.106 53.073 53.050 0.215 0.000 0.856 185 N CB -0.351 38.184 38.487 0.080 0.000 1.068 185 N HN 0.139 nan 8.380 nan 0.000 0.510 186 R N 0.923 121.488 120.500 0.108 0.000 2.096 186 R HA -0.040 4.300 4.340 0.000 0.000 0.235 186 R C 1.129 177.568 176.300 0.231 0.000 1.127 186 R CA 1.256 57.434 56.100 0.129 0.000 0.968 186 R CB 0.254 30.605 30.300 0.085 0.000 0.861 186 R HN 0.072 nan 8.270 nan 0.000 0.440 187 E N 0.679 120.995 120.200 0.194 0.000 2.204 187 E HA -0.191 4.159 4.350 0.000 0.000 0.194 187 E C 1.955 178.610 176.600 0.091 0.000 0.989 187 E CA 0.588 57.092 56.400 0.173 0.000 0.824 187 E CB -0.122 29.678 29.700 0.166 0.000 0.756 187 E HN 0.415 nan 8.360 nan 0.000 0.477 188 L N -0.265 120.773 121.223 -0.308 0.000 2.083 188 L HA -0.167 4.173 4.340 0.000 0.000 0.209 188 L C 2.276 179.051 176.870 -0.158 0.000 1.083 188 L CA 1.378 55.842 54.840 -0.627 0.000 0.752 188 L CB -0.385 40.845 42.059 -1.381 0.000 0.899 188 L HN 0.272 nan 8.230 nan 0.000 0.433 189 W N 0.875 122.057 121.300 -0.197 0.000 2.332 189 W HA -0.277 4.383 4.660 -0.000 0.000 0.321 189 W C 2.594 179.147 176.519 0.057 0.000 1.219 189 W CA 2.047 59.338 57.345 -0.089 0.000 1.277 189 W CB -1.099 28.299 29.460 -0.103 0.000 1.161 189 W HN 0.411 nan 8.180 nan 0.000 0.476 190 W N 1.796 122.873 121.300 -0.373 0.000 2.290 190 W HA -0.391 4.269 4.660 0.000 0.000 0.323 190 W C 1.916 178.118 176.519 -0.529 0.000 1.260 190 W CA 3.240 60.210 57.345 -0.626 0.000 1.266 190 W CB -1.392 27.964 29.460 -0.173 0.000 1.149 190 W HN 0.117 nan 8.180 nan 0.000 0.482 191 A N 0.276 122.805 122.820 -0.486 0.000 2.024 191 A HA -0.248 4.072 4.320 0.000 0.000 0.220 191 A C 1.368 178.622 177.584 -0.550 0.000 1.164 191 A CA 1.975 53.603 52.037 -0.681 0.000 0.643 191 A CB -1.365 17.044 19.000 -0.985 0.000 0.806 191 A HN 0.607 nan 8.150 nan 0.000 0.451 192 H N -1.693 117.111 119.070 -0.443 0.000 2.524 192 H HA 0.182 4.738 4.556 0.000 0.000 0.280 192 H C 0.787 175.909 175.328 -0.344 0.000 1.018 192 H CA 0.960 56.856 56.048 -0.253 0.000 1.165 192 H CB 0.265 29.933 29.762 -0.156 0.000 1.411 192 H HN 0.299 nan 8.280 nan 0.000 0.569 193 T N 0.266 114.521 114.554 -0.497 0.000 3.256 193 T HA 0.506 4.856 4.350 0.000 0.000 0.249 193 T C 0.295 174.808 174.700 -0.312 0.000 0.975 193 T CA 0.365 62.210 62.100 -0.425 0.000 1.011 193 T CB -0.966 67.532 68.868 -0.616 0.000 1.127 193 T HN 0.671 nan 8.240 nan 0.000 0.543 194 G N -0.493 108.190 108.800 -0.195 0.000 2.408 194 G HA2 0.398 4.358 3.960 0.000 0.000 0.682 194 G HA3 0.398 4.358 3.960 0.000 0.000 0.682 194 G C 0.440 175.319 174.900 -0.035 0.000 1.303 194 G CA 0.145 45.202 45.100 -0.071 0.000 0.966 194 G HN 1.282 nan 8.290 nan 0.000 0.560 195 G N -1.544 107.383 108.800 0.211 0.000 2.213 195 G HA2 0.489 4.449 3.960 0.000 0.000 0.236 195 G HA3 0.489 4.449 3.960 0.000 0.000 0.236 195 G C 1.817 176.848 174.900 0.219 0.000 0.991 195 G CA 1.005 46.252 45.100 0.245 0.000 0.629 195 G HN 3.249 nan 8.290 nan 0.000 0.517 196 G N -1.314 107.542 108.800 0.094 0.000 2.755 196 G HA2 0.332 4.292 3.960 0.000 0.000 0.686 196 G HA3 0.332 4.292 3.960 0.000 0.000 0.686 196 G C 1.409 176.282 174.900 -0.044 0.000 1.427 196 G CA 0.655 45.768 45.100 0.022 0.000 0.873 196 G HN 1.806 nan 8.290 nan 0.000 0.580 197 G N -0.019 108.763 108.800 -0.030 0.000 2.442 197 G HA2 0.327 4.287 3.960 0.000 0.000 0.219 197 G HA3 0.327 4.287 3.960 0.000 0.000 0.219 197 G C 1.330 176.213 174.900 -0.028 0.000 1.141 197 G CA 1.516 46.597 45.100 -0.033 0.000 0.763 197 G HN 1.994 nan 8.290 nan 0.000 0.554 198 G N -0.747 108.121 108.800 0.114 0.000 4.547 198 G HA2 0.401 4.361 3.960 0.000 0.000 0.301 198 G HA3 0.401 4.361 3.960 0.000 0.000 0.301 198 G C 0.393 175.356 174.900 0.106 0.000 1.240 198 G CA -0.222 44.955 45.100 0.129 0.000 0.970 198 G HN 0.392 nan 8.290 nan 0.000 0.574 199 N N -0.582 118.001 118.700 -0.194 0.000 2.622 199 N HA 0.169 4.909 4.740 0.000 0.000 0.213 199 N C 0.919 176.166 175.510 -0.440 0.000 1.037 199 N CA 0.144 52.877 53.050 -0.528 0.000 0.999 199 N CB 0.230 37.932 38.487 -1.309 0.000 1.342 199 N HN 0.188 nan 8.380 nan 0.000 0.465 200 F N 0.145 120.076 119.950 -0.033 0.000 2.746 200 F HA 0.458 4.985 4.527 0.000 0.000 0.297 200 F C 1.221 176.982 175.800 -0.065 0.000 1.113 200 F CA 0.171 58.181 58.000 0.015 0.000 1.367 200 F CB 0.435 39.421 39.000 -0.023 0.000 1.111 200 F HN 0.092 nan 8.300 nan 0.000 0.590 201 G N 0.176 108.749 108.800 -0.378 0.000 2.340 201 G HA2 0.175 4.135 3.960 0.000 0.000 0.282 201 G HA3 0.175 4.135 3.960 0.000 0.000 0.282 201 G C -1.585 172.845 174.900 -0.783 0.000 1.312 201 G CA -1.177 43.300 45.100 -1.038 0.000 0.942 201 G HN -0.057 nan 8.290 nan 0.000 0.495 202 I N 1.459 121.687 120.570 -0.571 0.000 2.312 202 I HA 0.422 4.592 4.170 0.000 0.000 0.290 202 I C 1.041 177.039 176.117 -0.197 0.000 1.008 202 I CA -0.963 60.152 61.300 -0.309 0.000 1.226 202 I CB 1.592 39.476 38.000 -0.194 0.000 1.371 202 I HN 0.622 nan 8.210 nan 0.000 0.468 203 V N 3.113 122.918 119.914 -0.182 0.000 2.485 203 V HA 0.117 4.237 4.120 0.000 0.000 0.287 203 V C 0.682 176.604 176.094 -0.286 0.000 1.022 203 V CA 0.613 62.739 62.300 -0.290 0.000 1.067 203 V CB 1.128 32.705 31.823 -0.411 0.000 0.967 203 V HN 0.949 nan 8.190 nan 0.000 0.479 204 T N 4.910 119.300 114.554 -0.274 0.000 2.959 204 T HA 0.322 4.672 4.350 0.000 0.000 0.254 204 T C 0.582 175.147 174.700 -0.224 0.000 1.003 204 T CA 0.210 62.198 62.100 -0.188 0.000 0.950 204 T CB -0.124 68.682 68.868 -0.103 0.000 1.090 204 T HN 0.874 nan 8.240 nan 0.000 0.503 205 R N 0.096 120.398 120.500 -0.330 0.000 2.566 205 R HA 0.471 4.811 4.340 0.000 0.000 0.271 205 R C -2.083 173.876 176.300 -0.567 0.000 1.071 205 R CA -0.647 55.190 56.100 -0.438 0.000 0.915 205 R CB 1.302 31.328 30.300 -0.455 0.000 1.228 205 R HN 0.218 nan 8.270 nan 0.000 0.449 206 Y N 1.898 121.931 120.300 -0.444 0.000 2.420 206 Y HA 0.484 5.034 4.550 0.000 0.000 0.334 206 Y C -0.660 174.806 175.900 -0.724 0.000 1.094 206 Y CA -0.346 57.472 58.100 -0.469 0.000 1.126 206 Y CB 1.446 39.652 38.460 -0.424 0.000 1.217 206 Y HN 0.433 nan 8.280 nan 0.000 0.462 207 W N 2.943 124.074 121.300 -0.282 0.000 2.683 207 W HA 0.583 5.243 4.660 0.000 0.000 0.329 207 W C -1.731 174.607 176.519 -0.300 0.000 1.037 207 W CA -0.930 56.291 57.345 -0.207 0.000 1.232 207 W CB 0.849 30.299 29.460 -0.016 0.000 1.390 207 W HN 0.225 nan 8.180 nan 0.000 0.465 208 F N 3.275 123.466 119.950 0.402 0.000 2.443 208 F HA 0.698 5.225 4.527 -0.000 0.000 0.335 208 F C 0.588 176.604 175.800 0.359 0.000 1.104 208 F CA -1.029 57.184 58.000 0.355 0.000 1.013 208 F CB 1.575 40.724 39.000 0.249 0.000 1.136 208 F HN 0.074 nan 8.300 nan 0.000 0.470 209 R N 1.418 122.209 120.500 0.485 0.000 2.678 209 R HA 0.151 4.491 4.340 0.000 0.000 0.267 209 R C -1.453 175.042 176.300 0.325 0.000 1.173 209 R CA -0.483 55.809 56.100 0.320 0.000 1.061 209 R CB 2.104 32.450 30.300 0.077 0.000 1.262 209 R HN 0.654 nan 8.270 nan 0.000 0.427 210 T N 5.477 120.226 114.554 0.326 0.000 2.867 210 T HA 0.061 4.411 4.350 0.000 0.000 0.297 210 T C -1.614 173.194 174.700 0.180 0.000 0.989 210 T CA -0.648 61.652 62.100 0.333 0.000 1.159 210 T CB 0.901 69.976 68.868 0.345 0.000 0.928 210 T HN 0.264 nan 8.240 nan 0.000 0.538 211 P HA -0.041 nan 4.420 nan 0.000 0.218 211 P C 0.899 178.238 177.300 0.064 0.000 1.146 211 P CA 0.562 63.718 63.100 0.093 0.000 0.813 211 P CB 0.049 31.796 31.700 0.078 0.000 0.778 212 G N 0.043 108.885 108.800 0.070 0.000 2.690 212 G HA2 0.380 4.340 3.960 0.000 0.000 0.294 212 G HA3 0.380 4.340 3.960 0.000 0.000 0.294 212 G C -0.153 174.779 174.900 0.053 0.000 0.793 212 G CA -0.016 45.116 45.100 0.054 0.000 1.818 212 G HN 0.290 nan 8.290 nan 0.000 0.515 213 A N 2.788 125.626 122.820 0.031 0.000 2.324 213 A HA 0.913 5.233 4.320 0.000 0.000 0.330 213 A C 0.152 177.738 177.584 0.003 0.000 1.165 213 A CA -0.487 51.560 52.037 0.016 0.000 0.813 213 A CB 1.509 20.498 19.000 -0.019 0.000 1.197 213 A HN 0.514 nan 8.150 nan 0.000 0.484 214 T N 0.721 115.277 114.554 0.003 0.000 2.971 214 T HA 0.673 5.023 4.350 0.000 0.000 0.304 214 T C 0.331 175.026 174.700 -0.008 0.000 1.038 214 T CA 0.325 62.423 62.100 -0.003 0.000 1.007 214 T CB 1.241 70.111 68.868 0.003 0.000 1.055 214 T HN 2.395 nan 8.240 nan 0.000 0.451 215 G N 2.078 110.870 108.800 -0.013 0.000 2.749 215 G HA2 -0.198 3.762 3.960 0.000 0.000 0.242 215 G HA3 -0.198 3.762 3.960 0.000 0.000 0.242 215 G C 0.557 175.447 174.900 -0.017 0.000 1.364 215 G CA 0.401 45.492 45.100 -0.014 0.000 0.888 215 G HN 1.540 nan 8.290 nan 0.000 0.566 216 T N -3.091 111.454 114.554 -0.016 0.000 3.132 216 T HA 0.390 4.740 4.350 0.000 0.000 0.274 216 T C 0.289 174.947 174.700 -0.069 0.000 1.011 216 T CA 0.974 63.069 62.100 -0.008 0.000 0.899 216 T CB 0.531 69.409 68.868 0.017 0.000 1.089 216 T HN 0.814 nan 8.240 nan 0.000 0.543 217 D N 2.980 123.336 120.400 -0.073 0.000 2.352 217 D HA 0.260 4.900 4.640 0.000 0.000 0.245 217 D C -1.481 174.716 176.300 -0.171 0.000 1.224 217 D CA -2.522 51.422 54.000 -0.093 0.000 0.879 217 D CB 1.582 42.363 40.800 -0.031 0.000 1.057 217 D HN 0.007 nan 8.370 nan 0.000 0.491 218 P HA -0.102 nan 4.420 nan 0.000 0.221 218 P C 0.969 178.212 177.300 -0.096 0.000 1.145 218 P CA 0.699 63.442 63.100 -0.596 0.000 0.795 218 P CB 0.231 31.185 31.700 -1.243 0.000 0.775 219 S N -0.845 114.868 115.700 0.021 0.000 2.603 219 S HA -0.049 4.421 4.470 0.000 0.000 0.229 219 S C 1.310 175.934 174.600 0.039 0.000 0.972 219 S CA 0.753 59.007 58.200 0.090 0.000 0.935 219 S CB -0.578 62.687 63.200 0.109 0.000 0.769 219 S HN 0.392 nan 8.310 nan 0.000 0.536 220 Q N -0.287 119.526 119.800 0.021 0.000 2.159 220 Q HA 0.337 4.677 4.340 0.000 0.000 0.217 220 Q C 0.780 176.805 176.000 0.042 0.000 0.818 220 Q CA 0.007 55.822 55.803 0.020 0.000 1.008 220 Q CB 0.467 29.210 28.738 0.008 0.000 1.148 220 Q HN 0.425 nan 8.270 nan 0.000 0.491 221 L N 0.068 121.342 121.223 0.085 0.000 2.693 221 L HA 0.355 4.695 4.340 0.000 0.000 0.235 221 L C 0.067 177.041 176.870 0.173 0.000 1.127 221 L CA 0.389 55.312 54.840 0.137 0.000 0.914 221 L CB 0.640 42.806 42.059 0.177 0.000 1.193 221 L HN 0.105 nan 8.230 nan 0.000 0.502 222 L N -0.928 120.351 121.223 0.092 0.000 2.409 222 L HA 0.487 4.827 4.340 0.000 0.000 0.255 222 L C -2.503 174.319 176.870 -0.080 0.000 1.027 222 L CA -1.885 52.949 54.840 -0.010 0.000 0.834 222 L CB 2.441 44.423 42.059 -0.128 0.000 1.426 222 L HN -0.281 nan 8.230 nan 0.000 0.411 223 P HA 0.067 nan 4.420 nan 0.000 0.265 223 P C -1.189 176.014 177.300 -0.162 0.000 1.193 223 P CA -0.099 62.914 63.100 -0.145 0.000 0.765 223 P CB 0.264 31.844 31.700 -0.199 0.000 0.823 224 K N 2.043 122.367 120.400 -0.127 0.000 2.412 224 K HA 0.354 4.674 4.320 0.000 0.000 0.281 224 K C 0.725 177.171 176.600 -0.257 0.000 1.027 224 K CA -0.353 55.848 56.287 -0.144 0.000 0.989 224 K CB 0.386 32.829 32.500 -0.095 0.000 0.935 224 K HN 0.507 nan 8.250 nan 0.000 0.475 225 A N 5.010 127.611 122.820 -0.364 0.000 2.521 225 A HA 0.131 4.451 4.320 0.000 0.000 0.237 225 A C -2.046 175.181 177.584 -0.594 0.000 1.087 225 A CA -0.768 50.806 52.037 -0.772 0.000 0.777 225 A CB -0.508 17.698 19.000 -1.324 0.000 1.035 225 A HN 0.465 nan 8.150 nan 0.000 0.510 226 P HA 0.295 nan 4.420 nan 0.000 0.276 226 P C 0.794 177.946 177.300 -0.247 0.000 1.252 226 P CA -0.303 62.578 63.100 -0.365 0.000 0.802 226 P CB 0.422 31.978 31.700 -0.239 0.000 1.035 227 T N -1.184 113.318 114.554 -0.087 0.000 2.737 227 T HA -0.004 4.346 4.350 0.000 0.000 0.265 227 T C 0.895 175.625 174.700 0.051 0.000 1.038 227 T CA 1.689 63.784 62.100 -0.009 0.000 1.144 227 T CB -0.266 68.599 68.868 -0.005 0.000 0.866 227 T HN 0.749 nan 8.240 nan 0.000 0.434 228 S N -0.875 114.868 115.700 0.071 0.000 2.703 228 S HA 0.464 4.934 4.470 0.000 0.000 0.273 228 S C -1.490 173.187 174.600 0.129 0.000 1.178 228 S CA -1.034 57.233 58.200 0.112 0.000 0.838 228 S CB 1.777 65.019 63.200 0.070 0.000 1.178 228 S HN 0.000 nan 8.310 nan 0.000 0.494 229 T N 1.961 116.574 114.554 0.097 0.000 2.809 229 T HA 0.542 4.892 4.350 0.000 0.000 0.296 229 T C -0.971 173.756 174.700 0.044 0.000 1.015 229 T CA -0.300 61.846 62.100 0.078 0.000 0.954 229 T CB 0.790 69.683 68.868 0.042 0.000 0.950 229 T HN 0.663 nan 8.240 nan 0.000 0.450 230 L N 4.369 125.610 121.223 0.030 0.000 2.260 230 L HA 0.553 4.893 4.340 0.000 0.000 0.289 230 L C 0.177 177.044 176.870 -0.005 0.000 1.057 230 L CA -0.095 54.748 54.840 0.006 0.000 0.811 230 L CB 0.253 42.295 42.059 -0.029 0.000 1.184 230 L HN 0.484 nan 8.230 nan 0.000 0.429 231 R N 3.790 124.311 120.500 0.035 0.000 2.637 231 R HA 0.465 4.805 4.340 0.000 0.000 0.291 231 R C -1.166 175.240 176.300 0.176 0.000 0.963 231 R CA -0.694 55.447 56.100 0.068 0.000 0.901 231 R CB 1.004 31.355 30.300 0.086 0.000 1.160 231 R HN 0.783 nan 8.270 nan 0.000 0.457 232 H N 3.616 122.713 119.070 0.044 0.000 2.489 232 H HA 0.344 4.900 4.556 0.000 0.000 0.343 232 H C -0.667 174.672 175.328 0.019 0.000 1.086 232 H CA -0.804 55.255 56.048 0.019 0.000 1.198 232 H CB 2.241 32.009 29.762 0.009 0.000 1.490 232 H HN 0.315 nan 8.280 nan 0.000 0.504 233 I N 5.140 125.768 120.570 0.098 0.000 2.354 233 I HA 0.232 4.402 4.170 0.000 0.000 0.286 233 I C -1.064 175.033 176.117 -0.034 0.000 1.007 233 I CA -0.738 60.596 61.300 0.057 0.000 1.167 233 I CB 0.630 38.669 38.000 0.065 0.000 1.320 233 I HN 0.293 nan 8.210 nan 0.000 0.458 234 V N 6.516 126.389 119.914 -0.067 0.000 2.370 234 V HA 0.434 4.554 4.120 0.000 0.000 0.279 234 V C 0.276 176.258 176.094 -0.188 0.000 1.029 234 V CA -0.291 61.871 62.300 -0.229 0.000 0.870 234 V CB 1.207 32.844 31.823 -0.310 0.000 0.984 234 V HN 0.755 nan 8.190 nan 0.000 0.451 235 T N 4.947 119.335 114.554 -0.276 0.000 2.861 235 T HA 0.519 4.869 4.350 0.000 0.000 0.287 235 T C -1.163 173.424 174.700 -0.189 0.000 1.003 235 T CA -0.330 61.729 62.100 -0.069 0.000 0.977 235 T CB 1.107 69.970 68.868 -0.007 0.000 0.996 235 T HN 0.623 nan 8.240 nan 0.000 0.448 236 W N 2.318 123.606 121.300 -0.020 0.000 2.532 236 W HA 0.328 4.988 4.660 -0.000 0.000 0.321 236 W C -0.577 175.907 176.519 -0.058 0.000 1.037 236 W CA -0.753 56.563 57.345 -0.049 0.000 1.220 236 W CB 1.470 30.881 29.460 -0.081 0.000 1.361 236 W HN 0.576 nan 8.180 nan 0.000 0.468 237 D N 1.042 121.543 120.400 0.167 0.000 2.351 237 D HA 0.047 4.687 4.640 0.000 0.000 0.251 237 D C 0.809 177.206 176.300 0.162 0.000 1.137 237 D CA 0.123 54.212 54.000 0.149 0.000 0.879 237 D CB 0.922 41.794 40.800 0.120 0.000 1.181 237 D HN 0.310 nan 8.370 nan 0.000 0.448 238 W N 1.346 122.716 121.300 0.117 0.000 2.364 238 W HA -0.207 4.453 4.660 0.000 0.000 0.281 238 W C 2.455 179.017 176.519 0.071 0.000 1.219 238 W CA 1.154 58.549 57.345 0.083 0.000 1.220 238 W CB -0.121 29.346 29.460 0.011 0.000 1.127 238 W HN 0.475 nan 8.180 nan 0.000 0.556 239 S N -0.493 115.378 115.700 0.285 0.000 2.440 239 S HA -0.137 4.333 4.470 0.000 0.000 0.238 239 S C 1.649 176.346 174.600 0.161 0.000 1.010 239 S CA 1.183 59.494 58.200 0.186 0.000 0.972 239 S CB -0.520 62.755 63.200 0.126 0.000 0.774 239 S HN 0.151 nan 8.310 nan 0.000 0.501 240 A N 0.159 123.075 122.820 0.160 0.000 2.348 240 A HA 0.556 4.876 4.320 0.000 0.000 0.224 240 A C 0.637 178.303 177.584 0.137 0.000 1.227 240 A CA -0.402 51.713 52.037 0.130 0.000 0.885 240 A CB -0.032 19.038 19.000 0.116 0.000 0.933 240 A HN 0.497 nan 8.150 nan 0.000 0.506 241 L N 1.822 123.143 121.223 0.164 0.000 2.290 241 L HA 0.314 4.654 4.340 0.000 0.000 0.284 241 L C -0.211 176.794 176.870 0.226 0.000 1.078 241 L CA -0.196 54.730 54.840 0.144 0.000 0.815 241 L CB 1.537 43.599 42.059 0.005 0.000 1.162 241 L HN 0.168 nan 8.230 nan 0.000 0.435 242 T N 0.734 115.357 114.554 0.115 0.000 2.950 242 T HA 0.129 4.479 4.350 0.000 0.000 0.288 242 T C 0.868 175.426 174.700 -0.237 0.000 1.035 242 T CA -0.663 61.456 62.100 0.032 0.000 1.028 242 T CB 2.121 70.988 68.868 -0.002 0.000 1.109 242 T HN 0.586 nan 8.240 nan 0.000 0.514 243 E N 0.581 120.423 120.200 -0.596 0.000 2.097 243 E HA -0.205 4.146 4.350 0.000 0.000 0.196 243 E C 1.892 178.264 176.600 -0.380 0.000 1.000 243 E CA 1.516 57.341 56.400 -0.958 0.000 0.804 243 E CB 0.062 29.309 29.700 -0.754 0.000 0.740 243 E HN 0.662 nan 8.360 nan 0.000 0.454 244 E N -0.610 119.460 120.200 -0.217 0.000 2.118 244 E HA -0.239 4.111 4.350 0.000 0.000 0.195 244 E C 1.913 178.461 176.600 -0.088 0.000 0.992 244 E CA 0.988 57.318 56.400 -0.117 0.000 0.804 244 E CB -0.106 29.551 29.700 -0.072 0.000 0.741 244 E HN 0.387 nan 8.360 nan 0.000 0.458 245 A N 0.486 123.260 122.820 -0.076 0.000 1.898 245 A HA -0.126 4.194 4.320 0.000 0.000 0.214 245 A C 1.917 179.436 177.584 -0.108 0.000 1.183 245 A CA 0.714 52.717 52.037 -0.057 0.000 0.622 245 A CB -0.687 18.306 19.000 -0.011 0.000 0.824 245 A HN 0.337 nan 8.150 nan 0.000 0.444 246 F N 1.131 120.922 119.950 -0.266 0.000 2.134 246 F HA -0.143 4.384 4.527 0.000 0.000 0.299 246 F C 2.468 178.112 175.800 -0.259 0.000 1.097 246 F CA 2.190 60.009 58.000 -0.301 0.000 1.264 246 F CB -0.358 38.552 39.000 -0.149 0.000 1.001 246 F HN 0.192 nan 8.300 nan 0.000 0.479 247 T N 1.340 115.888 114.554 -0.010 0.000 2.746 247 T HA -0.148 4.202 4.350 0.000 0.000 0.267 247 T C 2.005 176.643 174.700 -0.103 0.000 1.039 247 T CA 1.461 63.534 62.100 -0.044 0.000 1.142 247 T CB -0.126 68.716 68.868 -0.043 0.000 0.866 247 T HN 0.228 nan 8.240 nan 0.000 0.444 248 R N 0.835 121.277 120.500 -0.098 0.000 2.090 248 R HA 0.140 4.480 4.340 0.000 0.000 0.228 248 R C 2.401 178.643 176.300 -0.097 0.000 1.110 248 R CA 0.776 56.836 56.100 -0.066 0.000 0.973 248 R CB -1.064 29.216 30.300 -0.034 0.000 0.869 248 R HN 0.415 nan 8.270 nan 0.000 0.440 249 I N 1.457 121.905 120.570 -0.203 0.000 2.118 249 I HA -0.307 3.863 4.170 0.000 0.000 0.241 249 I C 2.225 178.217 176.117 -0.209 0.000 1.070 249 I CA 1.322 62.460 61.300 -0.269 0.000 1.327 249 I CB -0.339 37.299 38.000 -0.602 0.000 1.034 249 I HN -0.001 nan 8.210 nan 0.000 0.405 250 I N 0.419 120.774 120.570 -0.358 0.000 2.264 250 I HA -0.282 3.888 4.170 0.000 0.000 0.248 250 I C 2.115 178.256 176.117 0.040 0.000 1.111 250 I CA 1.693 62.856 61.300 -0.227 0.000 1.382 250 I CB -1.482 36.328 38.000 -0.316 0.000 1.060 250 I HN 0.273 nan 8.210 nan 0.000 0.418 251 D N 0.933 121.346 120.400 0.022 0.000 2.117 251 D HA -0.121 4.519 4.640 0.000 0.000 0.198 251 D C 1.933 178.314 176.300 0.134 0.000 0.982 251 D CA 0.858 54.911 54.000 0.089 0.000 0.828 251 D CB -0.290 40.541 40.800 0.052 0.000 0.967 251 D HN 0.298 nan 8.370 nan 0.000 0.464 252 N N 0.086 118.854 118.700 0.113 0.000 2.120 252 N HA -0.167 4.573 4.740 0.000 0.000 0.188 252 N C 1.724 177.388 175.510 0.255 0.000 1.024 252 N CA 0.839 53.980 53.050 0.151 0.000 0.852 252 N CB -0.664 37.882 38.487 0.098 0.000 1.003 252 N HN 0.420 nan 8.380 nan 0.000 0.424 253 H N 0.100 119.279 119.070 0.181 0.000 2.289 253 H HA -0.075 4.481 4.556 0.000 0.000 0.296 253 H C 2.076 177.696 175.328 0.487 0.000 1.091 253 H CA 2.391 58.642 56.048 0.338 0.000 1.274 253 H CB -0.548 29.397 29.762 0.305 0.000 1.364 253 H HN 0.244 nan 8.280 nan 0.000 0.490 254 G N -0.305 108.773 108.800 0.464 0.000 2.418 254 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 254 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 254 G C 1.887 176.952 174.900 0.275 0.000 1.158 254 G CA 0.844 46.149 45.100 0.341 0.000 0.771 254 G HN 0.623 nan 8.290 nan 0.000 0.545 255 A N -0.144 122.815 122.820 0.233 0.000 1.933 255 A HA -0.059 4.261 4.320 0.000 0.000 0.218 255 A C 2.137 179.821 177.584 0.168 0.000 1.175 255 A CA 1.552 53.687 52.037 0.163 0.000 0.628 255 A CB -0.683 18.398 19.000 0.134 0.000 0.814 255 A HN 0.601 nan 8.150 nan 0.000 0.444 256 W N 0.171 121.496 121.300 0.042 0.000 2.381 256 W HA -0.201 4.459 4.660 0.000 0.000 0.301 256 W C 2.059 178.472 176.519 -0.177 0.000 1.205 256 W CA 2.123 59.424 57.345 -0.073 0.000 1.285 256 W CB -0.295 29.132 29.460 -0.056 0.000 1.133 256 W HN 0.551 nan 8.180 nan 0.000 0.521 257 H N -0.690 118.538 119.070 0.263 0.000 2.456 257 H HA -0.182 4.374 4.556 0.000 0.000 0.296 257 H C 1.976 177.257 175.328 -0.077 0.000 1.079 257 H CA 2.015 58.115 56.048 0.086 0.000 1.322 257 H CB -0.445 29.404 29.762 0.146 0.000 1.388 257 H HN 0.304 nan 8.280 nan 0.000 0.538 258 Q N -0.278 119.552 119.800 0.050 0.000 2.297 258 Q HA -0.002 4.338 4.340 0.000 0.000 0.204 258 Q C 1.540 177.472 176.000 -0.113 0.000 0.962 258 Q CA 1.193 56.989 55.803 -0.011 0.000 0.879 258 Q CB 0.212 28.958 28.738 0.014 0.000 0.947 258 Q HN 0.169 nan 8.270 nan 0.000 0.462 259 S N 0.166 115.724 115.700 -0.237 0.000 2.556 259 S HA 0.205 4.675 4.470 0.000 0.000 0.216 259 S C -0.226 174.078 174.600 -0.493 0.000 0.970 259 S CA -0.256 57.763 58.200 -0.302 0.000 0.912 259 S CB 0.251 63.283 63.200 -0.279 0.000 0.790 259 S HN 0.401 nan 8.310 nan 0.000 0.504 260 N N 0.998 119.277 118.700 -0.702 0.000 2.703 260 N HA 0.217 4.957 4.740 0.000 0.000 0.283 260 N C -0.366 174.853 175.510 -0.486 0.000 1.851 260 N CA 0.104 52.661 53.050 -0.822 0.000 0.826 260 N CB 1.556 38.900 38.487 -1.905 0.000 1.239 260 N HN 0.187 nan 8.380 nan 0.000 0.495 261 S N -0.566 115.004 115.700 -0.215 0.000 3.526 261 S HA 0.255 4.725 4.470 0.000 0.000 0.222 261 S C 0.883 175.463 174.600 -0.034 0.000 1.001 261 S CA -0.175 57.987 58.200 -0.065 0.000 0.831 261 S CB 0.146 63.364 63.200 0.029 0.000 0.941 261 S HN 0.331 nan 8.310 nan 0.000 0.585 262 A N 1.926 124.725 122.820 -0.036 0.000 2.488 262 A HA 0.748 5.068 4.320 0.000 0.000 0.249 262 A C 0.238 177.804 177.584 -0.030 0.000 1.083 262 A CA 0.432 52.452 52.037 -0.028 0.000 0.768 262 A CB -0.498 18.488 19.000 -0.023 0.000 1.017 262 A HN 1.189 nan 8.150 nan 0.000 0.496 263 A N 1.216 124.025 122.820 -0.018 0.000 2.536 263 A HA 0.802 5.122 4.320 0.000 0.000 0.293 263 A C -0.031 177.550 177.584 -0.004 0.000 1.119 263 A CA -0.076 51.955 52.037 -0.011 0.000 0.654 263 A CB 0.546 19.545 19.000 -0.001 0.000 1.291 263 A HN 2.104 nan 8.150 nan 0.000 0.439 264 G N 0.392 109.191 108.800 -0.002 0.000 5.102 264 G HA2 0.566 4.526 3.960 0.000 0.000 0.212 264 G HA3 0.566 4.526 3.960 0.000 0.000 0.212 264 G C -0.265 174.633 174.900 -0.004 0.000 0.832 264 G CA 0.733 45.833 45.100 -0.001 0.000 0.718 264 G HN 1.560 nan 8.290 nan 0.000 0.506 265 T N -3.200 111.354 114.554 -0.000 0.000 2.901 265 T HA 0.681 5.031 4.350 0.000 0.000 0.293 265 T C -1.904 172.790 174.700 -0.010 0.000 1.084 265 T CA -1.567 60.531 62.100 -0.003 0.000 1.008 265 T CB 2.734 71.609 68.868 0.013 0.000 1.170 265 T HN -0.170 nan 8.240 nan 0.000 0.509 266 P HA -0.150 nan 4.420 nan 0.000 0.216 266 P C 0.898 178.144 177.300 -0.091 0.000 1.167 266 P CA 1.467 64.497 63.100 -0.116 0.000 0.914 266 P CB -0.216 31.346 31.700 -0.229 0.000 0.793 267 Y N -0.641 119.665 120.300 0.010 0.000 2.403 267 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 267 Y C 2.451 178.371 175.900 0.034 0.000 1.143 267 Y CA 0.766 58.892 58.100 0.044 0.000 1.257 267 Y CB -1.352 37.140 38.460 0.053 0.000 0.984 267 Y HN -0.090 nan 8.280 nan 0.000 0.550 268 A N -1.050 121.850 122.820 0.134 0.000 2.125 268 A HA -0.144 4.176 4.320 0.000 0.000 0.219 268 A C 2.191 179.822 177.584 0.079 0.000 1.156 268 A CA 1.793 53.882 52.037 0.087 0.000 0.671 268 A CB -0.620 18.405 19.000 0.041 0.000 0.794 268 A HN 0.360 nan 8.150 nan 0.000 0.459 269 S N -1.034 114.704 115.700 0.063 0.000 2.558 269 S HA 0.204 4.674 4.470 0.000 0.000 0.217 269 S C 0.718 175.373 174.600 0.091 0.000 0.975 269 S CA -0.090 58.142 58.200 0.052 0.000 0.912 269 S CB -0.205 63.002 63.200 0.012 0.000 0.776 269 S HN 0.668 nan 8.310 nan 0.000 0.526 270 M N 2.680 122.357 119.600 0.128 0.000 2.211 270 M HA 0.202 4.682 4.480 0.000 0.000 0.356 270 M C -0.436 175.973 176.300 0.183 0.000 1.216 270 M CA -0.015 55.367 55.300 0.135 0.000 1.134 270 M CB 0.702 33.391 32.600 0.149 0.000 1.564 270 M HN 0.232 nan 8.290 nan 0.000 0.463 271 H N 2.574 121.689 119.070 0.075 0.000 2.731 271 H HA 0.660 5.216 4.556 0.000 0.000 0.368 271 H C -1.659 173.737 175.328 0.113 0.000 1.168 271 H CA -0.376 55.743 56.048 0.119 0.000 1.181 271 H CB 1.944 31.794 29.762 0.148 0.000 1.743 271 H HN 0.831 nan 8.280 nan 0.000 0.547 272 S N 2.233 117.671 115.700 -0.437 0.000 2.556 272 S HA 0.541 5.011 4.470 0.000 0.000 0.271 272 S C -1.698 172.783 174.600 -0.199 0.000 1.135 272 S CA -0.777 57.336 58.200 -0.145 0.000 0.858 272 S CB 1.833 65.075 63.200 0.071 0.000 1.114 272 S HN 0.313 nan 8.310 nan 0.000 0.468 273 V N 2.375 122.271 119.914 -0.031 0.000 2.525 273 V HA 0.481 4.601 4.120 0.000 0.000 0.299 273 V C -1.195 174.775 176.094 -0.207 0.000 1.034 273 V CA -0.537 61.682 62.300 -0.135 0.000 0.863 273 V CB 1.289 33.010 31.823 -0.170 0.000 0.999 273 V HN 0.936 nan 8.190 nan 0.000 0.423 274 F N 4.790 124.555 119.950 -0.308 0.000 2.361 274 F HA 0.498 5.025 4.527 0.000 0.000 0.364 274 F C -0.384 175.265 175.800 -0.251 0.000 1.120 274 F CA -0.796 57.063 58.000 -0.235 0.000 1.102 274 F CB 0.822 39.652 39.000 -0.283 0.000 1.183 274 F HN 0.502 nan 8.300 nan 0.000 0.476 275 Y N 6.770 127.311 120.300 0.401 0.000 2.627 275 Y HA 0.216 4.766 4.550 0.000 0.000 0.347 275 Y C 0.054 176.060 175.900 0.177 0.000 1.099 275 Y CA -0.640 57.604 58.100 0.240 0.000 1.408 275 Y CB 0.215 38.817 38.460 0.237 0.000 1.247 275 Y HN 0.369 nan 8.280 nan 0.000 0.506 276 L N 4.608 125.920 121.223 0.150 0.000 2.387 276 L HA 0.172 4.512 4.340 0.000 0.000 0.267 276 L C -0.064 176.915 176.870 0.181 0.000 1.197 276 L CA -0.336 54.546 54.840 0.070 0.000 1.070 276 L CB -0.649 41.369 42.059 -0.069 0.000 1.349 276 L HN 0.613 nan 8.230 nan 0.000 0.422 277 N N 0.766 119.608 118.700 0.237 0.000 2.399 277 N HA 0.136 4.876 4.740 0.000 0.000 0.250 277 N C 0.202 175.823 175.510 0.186 0.000 1.272 277 N CA -0.114 53.018 53.050 0.136 0.000 0.928 277 N CB 0.869 39.405 38.487 0.083 0.000 1.158 277 N HN 0.335 nan 8.380 nan 0.000 0.463 278 S N 0.190 115.790 115.700 -0.167 0.000 2.614 278 S HA 0.093 4.563 4.470 0.000 0.000 0.265 278 S C 1.259 175.409 174.600 -0.750 0.000 1.303 278 S CA -0.556 57.404 58.200 -0.400 0.000 1.000 278 S CB 0.784 63.704 63.200 -0.467 0.000 0.935 278 S HN 0.470 nan 8.310 nan 0.000 0.551 279 R N 0.525 120.210 120.500 -1.359 0.000 2.514 279 R HA 0.071 4.411 4.340 0.000 0.000 0.216 279 R C 0.831 176.716 176.300 -0.692 0.000 1.295 279 R CA 0.321 55.541 56.100 -1.466 0.000 1.246 279 R CB -0.780 28.661 30.300 -1.432 0.000 1.057 279 R HN 0.636 nan 8.270 nan 0.000 0.490 280 A N -1.248 121.239 122.820 -0.554 0.000 2.287 280 A HA 0.290 4.610 4.320 0.000 0.000 0.214 280 A C 1.691 179.109 177.584 -0.277 0.000 1.228 280 A CA 0.382 52.217 52.037 -0.338 0.000 0.939 280 A CB 0.387 19.218 19.000 -0.280 0.000 0.992 280 A HN 0.379 nan 8.150 nan 0.000 0.502 281 A N -1.269 121.289 122.820 -0.437 0.000 2.021 281 A HA 0.405 4.725 4.320 0.000 0.000 0.216 281 A C 2.013 179.614 177.584 0.029 0.000 1.163 281 A CA 1.573 53.427 52.037 -0.305 0.000 0.676 281 A CB -0.534 18.218 19.000 -0.414 0.000 0.818 281 A HN 1.751 nan 8.150 nan 0.000 0.453 282 G N -1.277 107.583 108.800 0.100 0.000 2.317 282 G HA2 -0.252 3.708 3.960 0.000 0.000 0.227 282 G HA3 -0.252 3.708 3.960 0.000 0.000 0.227 282 G C 0.184 175.319 174.900 0.392 0.000 1.042 282 G CA 0.549 45.778 45.100 0.215 0.000 0.623 282 G HN 1.408 nan 8.290 nan 0.000 0.509 283 Q N -0.018 120.017 119.800 0.391 0.000 2.511 283 Q HA 0.713 5.053 4.340 0.000 0.000 0.289 283 Q C -0.360 175.777 176.000 0.229 0.000 1.021 283 Q CA -0.969 54.993 55.803 0.265 0.000 0.785 283 Q CB 1.961 30.811 28.738 0.187 0.000 1.472 283 Q HN 1.060 nan 8.270 nan 0.000 0.411 284 I N -0.771 119.863 120.570 0.106 0.000 2.498 284 I HA 0.751 4.921 4.170 0.000 0.000 0.301 284 I C -1.238 175.130 176.117 0.420 0.000 0.984 284 I CA -1.169 60.268 61.300 0.227 0.000 1.204 284 I CB 1.590 39.626 38.000 0.060 0.000 1.362 284 I HN 0.686 nan 8.210 nan 0.000 0.471 285 L N 6.006 127.530 121.223 0.502 0.000 2.436 285 L HA 0.537 4.877 4.340 0.000 0.000 0.268 285 L C -1.563 175.536 176.870 0.382 0.000 0.974 285 L CA -0.671 54.427 54.840 0.431 0.000 0.826 285 L CB 2.047 44.324 42.059 0.362 0.000 1.291 285 L HN 0.699 nan 8.230 nan 0.000 0.406 286 L N 4.453 125.743 121.223 0.112 0.000 2.280 286 L HA 0.421 4.761 4.340 0.000 0.000 0.287 286 L C -1.120 175.774 176.870 0.041 0.000 1.023 286 L CA -0.338 54.411 54.840 -0.152 0.000 0.819 286 L CB 1.252 43.063 42.059 -0.412 0.000 1.212 286 L HN 0.603 nan 8.230 nan 0.000 0.420 287 D N 6.616 127.078 120.400 0.103 0.000 2.427 287 D HA 0.310 4.950 4.640 0.000 0.000 0.226 287 D C -0.537 175.856 176.300 0.155 0.000 1.076 287 D CA -0.251 53.854 54.000 0.175 0.000 0.849 287 D CB 0.915 41.898 40.800 0.306 0.000 1.052 287 D HN 0.449 nan 8.370 nan 0.000 0.515 288 I N 1.002 121.663 120.570 0.152 0.000 2.474 288 I HA 0.562 4.732 4.170 0.000 0.000 0.294 288 I C -1.095 175.090 176.117 0.114 0.000 1.005 288 I CA -0.755 60.632 61.300 0.146 0.000 1.113 288 I CB 1.860 39.969 38.000 0.182 0.000 1.289 288 I HN 0.236 nan 8.210 nan 0.000 0.436 289 Q N 6.334 126.204 119.800 0.118 0.000 2.456 289 Q HA 0.808 5.148 4.340 0.000 0.000 0.283 289 Q C -1.557 174.492 176.000 0.083 0.000 1.084 289 Q CA -0.931 54.927 55.803 0.091 0.000 0.801 289 Q CB 3.342 32.148 28.738 0.114 0.000 1.434 289 Q HN 0.919 nan 8.270 nan 0.000 0.419 290 I N 0.129 120.730 120.570 0.053 0.000 3.149 290 I HA 0.215 4.385 4.170 0.000 0.000 0.310 290 I C -1.683 174.458 176.117 0.040 0.000 1.343 290 I CA -0.869 60.458 61.300 0.045 0.000 0.955 290 I CB 2.460 40.465 38.000 0.009 0.000 1.309 290 I HN 0.900 nan 8.210 nan 0.000 0.478 291 D N 2.969 123.385 120.400 0.027 0.000 2.389 291 D HA 0.114 4.754 4.640 0.000 0.000 0.263 291 D C 1.130 177.433 176.300 0.004 0.000 1.255 291 D CA 0.854 54.863 54.000 0.014 0.000 0.914 291 D CB 1.437 42.226 40.800 -0.019 0.000 1.116 291 D HN 0.682 nan 8.370 nan 0.000 0.502 292 G N 3.237 112.049 108.800 0.020 0.000 2.462 292 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 292 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 292 G C 1.315 176.217 174.900 0.002 0.000 1.121 292 G CA 0.614 45.721 45.100 0.013 0.000 0.758 292 G HN 0.596 nan 8.290 nan 0.000 0.559 293 G N 0.131 108.930 108.800 -0.002 0.000 2.744 293 G HA2 0.299 4.259 3.960 0.000 0.000 0.211 293 G HA3 0.299 4.259 3.960 0.000 0.000 0.211 293 G C 0.708 175.597 174.900 -0.018 0.000 1.143 293 G CA 0.354 45.449 45.100 -0.008 0.000 0.788 293 G HN 0.548 nan 8.290 nan 0.000 0.534 294 L N -1.744 119.464 121.223 -0.025 0.000 2.395 294 L HA 0.596 4.936 4.340 0.000 0.000 0.269 294 L C -0.593 176.255 176.870 -0.037 0.000 1.133 294 L CA -1.242 53.576 54.840 -0.036 0.000 0.812 294 L CB 0.623 42.653 42.059 -0.048 0.000 1.125 294 L HN -0.281 nan 8.230 nan 0.000 0.452 295 D N 1.641 122.018 120.400 -0.038 0.000 2.414 295 D HA 0.344 4.984 4.640 0.000 0.000 0.242 295 D C 1.246 177.520 176.300 -0.044 0.000 1.129 295 D CA 1.427 55.407 54.000 -0.033 0.000 0.885 295 D CB 1.260 42.043 40.800 -0.028 0.000 1.198 295 D HN 1.018 nan 8.370 nan 0.000 0.437 296 G N 1.965 110.746 108.800 -0.032 0.000 2.168 296 G HA2 -0.342 3.618 3.960 0.000 0.000 0.257 296 G HA3 -0.342 3.618 3.960 0.000 0.000 0.257 296 G C 1.237 176.110 174.900 -0.045 0.000 0.997 296 G CA 1.118 46.199 45.100 -0.032 0.000 0.708 296 G HN 0.707 nan 8.290 nan 0.000 0.520 297 A N -0.200 122.592 122.820 -0.047 0.000 1.869 297 A HA -0.121 4.199 4.320 0.000 0.000 0.218 297 A C 2.154 179.704 177.584 -0.057 0.000 1.203 297 A CA 2.283 54.285 52.037 -0.059 0.000 0.638 297 A CB -0.415 18.558 19.000 -0.046 0.000 0.831 297 A HN 0.476 nan 8.150 nan 0.000 0.450 298 E N -0.359 119.822 120.200 -0.031 0.000 2.118 298 E HA -0.180 4.170 4.350 0.000 0.000 0.195 298 E C 2.368 178.989 176.600 0.035 0.000 0.992 298 E CA 1.257 57.654 56.400 -0.005 0.000 0.804 298 E CB -0.482 29.247 29.700 0.048 0.000 0.741 298 E HN 0.548 nan 8.360 nan 0.000 0.458 299 A N 0.858 123.695 122.820 0.028 0.000 1.908 299 A HA -0.203 4.117 4.320 0.000 0.000 0.218 299 A C 2.310 179.938 177.584 0.073 0.000 1.181 299 A CA 1.753 53.819 52.037 0.048 0.000 0.627 299 A CB -0.683 18.333 19.000 0.026 0.000 0.818 299 A HN 0.246 nan 8.150 nan 0.000 0.445 300 L N -1.626 119.614 121.223 0.028 0.000 2.109 300 L HA -0.033 4.307 4.340 0.000 0.000 0.207 300 L C 2.185 179.194 176.870 0.232 0.000 1.086 300 L CA 0.702 55.596 54.840 0.089 0.000 0.760 300 L CB -0.905 41.035 42.059 -0.199 0.000 0.910 300 L HN 0.151 nan 8.230 nan 0.000 0.437 301 L N 1.148 122.434 121.223 0.105 0.000 2.083 301 L HA -0.175 4.165 4.340 0.000 0.000 0.209 301 L C 2.262 179.264 176.870 0.220 0.000 1.083 301 L CA 1.746 56.644 54.840 0.097 0.000 0.752 301 L CB -1.145 40.714 42.059 -0.332 0.000 0.899 301 L HN 0.534 nan 8.230 nan 0.000 0.433 302 N N -1.656 117.170 118.700 0.211 0.000 2.331 302 N HA -0.136 4.604 4.740 0.000 0.000 0.180 302 N C 1.346 176.939 175.510 0.139 0.000 1.019 302 N CA 0.845 53.994 53.050 0.164 0.000 0.881 302 N CB -0.439 38.123 38.487 0.125 0.000 0.972 302 N HN 0.187 nan 8.380 nan 0.000 0.435 303 D N 0.231 120.751 120.400 0.200 0.000 2.104 303 D HA -0.147 4.493 4.640 0.000 0.000 0.194 303 D C 1.340 177.793 176.300 0.255 0.000 0.994 303 D CA 0.871 55.025 54.000 0.255 0.000 0.830 303 D CB -0.369 40.666 40.800 0.390 0.000 0.959 303 D HN 0.318 nan 8.370 nan 0.000 0.452 304 F N 0.844 120.808 119.950 0.024 0.000 2.084 304 F HA -0.207 4.320 4.527 0.000 0.000 0.296 304 F C 2.278 177.929 175.800 -0.249 0.000 1.111 304 F CA 1.342 59.132 58.000 -0.352 0.000 1.224 304 F CB -0.108 38.556 39.000 -0.561 0.000 0.991 304 F HN -0.063 nan 8.300 nan 0.000 0.471 305 V N -0.281 119.464 119.914 -0.281 0.000 2.490 305 V HA -0.158 3.962 4.120 0.000 0.000 0.250 305 V C 2.268 178.252 176.094 -0.183 0.000 1.061 305 V CA 1.585 63.682 62.300 -0.340 0.000 1.064 305 V CB -1.842 29.878 31.823 -0.173 0.000 0.670 305 V HN 0.397 nan 8.190 nan 0.000 0.461 306 A N 0.686 123.461 122.820 -0.074 0.000 1.930 306 A HA 0.194 4.514 4.320 0.000 0.000 0.217 306 A C 2.499 180.078 177.584 -0.009 0.000 1.175 306 A CA 1.963 53.986 52.037 -0.022 0.000 0.627 306 A CB -1.011 18.002 19.000 0.022 0.000 0.815 306 A HN 0.976 nan 8.150 nan 0.000 0.443 307 A N -0.479 122.337 122.820 -0.007 0.000 1.972 307 A HA 0.020 4.340 4.320 0.000 0.000 0.219 307 A C 2.165 179.751 177.584 0.003 0.000 1.169 307 A CA 1.774 53.840 52.037 0.048 0.000 0.635 307 A CB -0.724 18.379 19.000 0.172 0.000 0.810 307 A HN 0.374 nan 8.150 nan 0.000 0.446 308 V N 1.033 120.874 119.914 -0.121 0.000 2.379 308 V HA -0.157 3.963 4.120 0.000 0.000 0.245 308 V C 1.389 177.519 176.094 0.061 0.000 1.044 308 V CA 1.865 64.123 62.300 -0.071 0.000 1.036 308 V CB -1.017 30.673 31.823 -0.221 0.000 0.664 308 V HN 0.945 nan 8.190 nan 0.000 0.453 309 N N 0.033 118.796 118.700 0.104 0.000 2.610 309 N HA 0.088 4.828 4.740 0.000 0.000 0.309 309 N C 1.015 176.579 175.510 0.089 0.000 1.536 309 N CA 0.213 53.362 53.050 0.166 0.000 0.954 309 N CB 0.361 39.072 38.487 0.373 0.000 1.310 309 N HN 0.395 nan 8.380 nan 0.000 0.502 310 E N 0.681 120.917 120.200 0.059 0.000 2.035 310 E HA -0.172 4.178 4.350 0.000 0.000 0.204 310 E C 1.310 177.936 176.600 0.044 0.000 1.025 310 E CA 2.156 58.585 56.400 0.047 0.000 0.835 310 E CB -0.892 28.838 29.700 0.051 0.000 0.764 310 E HN 0.405 nan 8.360 nan 0.000 0.457 311 G N -0.071 108.754 108.800 0.042 0.000 3.605 311 G HA2 0.180 4.140 3.960 0.000 0.000 0.277 311 G HA3 0.180 4.140 3.960 0.000 0.000 0.277 311 G C -0.113 174.807 174.900 0.034 0.000 1.093 311 G CA 0.062 45.182 45.100 0.033 0.000 0.821 311 G HN 0.234 nan 8.290 nan 0.000 0.532 312 T N -0.230 114.354 114.554 0.050 0.000 2.813 312 T HA 0.407 4.757 4.350 0.000 0.000 0.297 312 T C 1.512 176.244 174.700 0.054 0.000 1.036 312 T CA 0.465 62.599 62.100 0.057 0.000 1.044 312 T CB 1.699 70.631 68.868 0.107 0.000 0.993 312 T HN 0.083 nan 8.240 nan 0.000 0.535 313 G N 0.031 108.861 108.800 0.050 0.000 3.284 313 G HA2 0.400 4.360 3.960 0.000 0.000 0.236 313 G HA3 0.400 4.360 3.960 0.000 0.000 0.236 313 G C 0.145 175.079 174.900 0.057 0.000 1.158 313 G CA -0.090 45.035 45.100 0.043 0.000 0.774 313 G HN 0.701 nan 8.290 nan 0.000 0.545 314 V N -1.126 118.844 119.914 0.093 0.000 2.823 314 V HA 0.836 4.956 4.120 0.000 0.000 0.312 314 V C -1.397 174.762 176.094 0.109 0.000 1.072 314 V CA -1.286 61.083 62.300 0.113 0.000 0.937 314 V CB 2.238 34.166 31.823 0.175 0.000 1.013 314 V HN 0.196 nan 8.190 nan 0.000 0.430 315 E N 6.537 126.744 120.200 0.013 0.000 2.176 315 E HA 0.764 5.114 4.350 0.000 0.000 0.267 315 E C -2.747 173.694 176.600 -0.265 0.000 0.893 315 E CA -1.808 54.528 56.400 -0.107 0.000 0.761 315 E CB 2.160 31.809 29.700 -0.086 0.000 1.133 315 E HN 0.731 nan 8.360 nan 0.000 0.409 316 P HA 0.327 nan 4.420 nan 0.000 0.279 316 P C -1.069 175.969 177.300 -0.437 0.000 1.276 316 P CA -0.684 61.960 63.100 -0.759 0.000 0.801 316 P CB 1.125 31.906 31.700 -1.532 0.000 1.127 317 A N 0.263 122.874 122.820 -0.348 0.000 2.293 317 A HA 0.598 4.918 4.320 0.000 0.000 0.302 317 A C -0.633 176.795 177.584 -0.260 0.000 1.119 317 A CA -0.510 51.385 52.037 -0.237 0.000 0.823 317 A CB 0.500 19.411 19.000 -0.149 0.000 1.097 317 A HN 0.314 nan 8.150 nan 0.000 0.491 318 V N 2.549 122.333 119.914 -0.216 0.000 2.577 318 V HA 0.356 4.476 4.120 0.000 0.000 0.303 318 V C -0.725 175.260 176.094 -0.183 0.000 1.042 318 V CA -0.596 61.563 62.300 -0.234 0.000 0.872 318 V CB 1.572 33.210 31.823 -0.308 0.000 0.998 318 V HN 0.963 nan 8.190 nan 0.000 0.423 319 Q N 4.610 124.328 119.800 -0.137 0.000 2.322 319 Q HA 0.633 4.973 4.340 0.000 0.000 0.265 319 Q C -0.914 175.055 176.000 -0.052 0.000 0.985 319 Q CA -0.682 55.073 55.803 -0.080 0.000 0.849 319 Q CB 2.831 31.549 28.738 -0.034 0.000 1.274 319 Q HN 0.615 nan 8.270 nan 0.000 0.449 320 R N 0.916 121.396 120.500 -0.033 0.000 2.604 320 R HA 0.693 5.033 4.340 0.000 0.000 0.287 320 R C -0.539 175.803 176.300 0.071 0.000 0.970 320 R CA -0.496 55.642 56.100 0.064 0.000 0.946 320 R CB 1.708 32.035 30.300 0.044 0.000 1.127 320 R HN 0.826 nan 8.270 nan 0.000 0.473 321 S N -0.357 115.405 115.700 0.103 0.000 2.543 321 S HA 0.303 4.773 4.470 0.000 0.000 0.274 321 S C -1.022 173.614 174.600 0.060 0.000 1.149 321 S CA -0.899 57.338 58.200 0.063 0.000 0.866 321 S CB 2.103 65.332 63.200 0.047 0.000 1.111 321 S HN 0.530 nan 8.310 nan 0.000 0.457 322 T N 1.210 115.790 114.554 0.043 0.000 2.861 322 T HA 0.693 5.043 4.350 0.000 0.000 0.287 322 T C -1.639 173.078 174.700 0.029 0.000 1.003 322 T CA -0.304 61.818 62.100 0.037 0.000 0.977 322 T CB 1.095 69.984 68.868 0.035 0.000 0.996 322 T HN 0.652 nan 8.240 nan 0.000 0.448 323 E N 3.393 123.609 120.200 0.028 0.000 2.433 323 E HA 0.437 4.787 4.350 0.000 0.000 0.278 323 E C -2.885 173.733 176.600 0.030 0.000 0.976 323 E CA -2.084 54.327 56.400 0.019 0.000 0.793 323 E CB 1.955 31.654 29.700 -0.001 0.000 1.311 323 E HN 0.402 nan 8.360 nan 0.000 0.460 324 P HA 0.058 nan 4.420 nan 0.000 0.274 324 P C 0.268 177.590 177.300 0.037 0.000 1.231 324 P CA -0.208 62.929 63.100 0.062 0.000 0.790 324 P CB 0.668 32.409 31.700 0.068 0.000 0.951 325 W N 3.427 124.647 121.300 -0.133 0.000 2.335 325 W HA -0.194 4.466 4.660 0.000 0.000 0.311 325 W C 1.684 178.040 176.519 -0.273 0.000 1.213 325 W CA 1.430 58.637 57.345 -0.230 0.000 1.274 325 W CB -0.806 28.439 29.460 -0.359 0.000 1.148 325 W HN 0.246 nan 8.180 nan 0.000 0.498 326 L N 1.251 122.301 121.223 -0.289 0.000 2.072 326 L HA -0.030 4.310 4.340 0.000 0.000 0.205 326 L C 2.710 179.379 176.870 -0.335 0.000 1.079 326 L CA 2.079 56.641 54.840 -0.464 0.000 0.752 326 L CB -1.110 40.895 42.059 -0.090 0.000 0.906 326 L HN 0.037 nan 8.230 nan 0.000 0.436 327 R N -0.566 119.833 120.500 -0.169 0.000 2.096 327 R HA -0.153 4.187 4.340 0.000 0.000 0.235 327 R C 2.039 178.246 176.300 -0.155 0.000 1.127 327 R CA 1.370 57.403 56.100 -0.112 0.000 0.968 327 R CB -0.259 30.015 30.300 -0.044 0.000 0.861 327 R HN 0.484 nan 8.270 nan 0.000 0.440 328 A N -0.198 122.493 122.820 -0.215 0.000 1.897 328 A HA -0.077 4.243 4.320 0.000 0.000 0.215 328 A C 2.119 179.536 177.584 -0.279 0.000 1.181 328 A CA 1.761 53.676 52.037 -0.204 0.000 0.620 328 A CB -0.618 18.273 19.000 -0.182 0.000 0.821 328 A HN 0.411 nan 8.150 nan 0.000 0.443 329 T N 0.345 114.583 114.554 -0.527 0.000 2.857 329 T HA 0.022 4.372 4.350 0.000 0.000 0.266 329 T C 1.628 176.169 174.700 -0.265 0.000 1.048 329 T CA 1.041 62.820 62.100 -0.535 0.000 1.139 329 T CB -0.230 68.005 68.868 -1.055 0.000 0.874 329 T HN 0.301 nan 8.240 nan 0.000 0.455 330 L N 0.831 121.918 121.223 -0.227 0.000 2.478 330 L HA 0.238 4.578 4.340 0.000 0.000 0.223 330 L C 1.348 178.195 176.870 -0.038 0.000 1.140 330 L CA -0.264 54.520 54.840 -0.092 0.000 0.842 330 L CB -0.614 41.402 42.059 -0.071 0.000 0.953 330 L HN 0.156 nan 8.230 nan 0.000 0.452 331 A N 2.122 124.911 122.820 -0.051 0.000 2.476 331 A HA 0.040 4.360 4.320 0.000 0.000 0.275 331 A C 0.446 178.046 177.584 0.027 0.000 1.133 331 A CA -0.231 51.796 52.037 -0.016 0.000 0.797 331 A CB -0.632 18.349 19.000 -0.031 0.000 1.081 331 A HN 0.573 nan 8.150 nan 0.000 0.510 332 N N 2.878 121.608 118.700 0.050 0.000 2.719 332 N HA 0.124 4.864 4.740 0.000 0.000 0.243 332 N C -0.136 175.374 175.510 -0.001 0.000 1.104 332 N CA -0.532 52.606 53.050 0.147 0.000 0.981 332 N CB 0.816 39.404 38.487 0.168 0.000 1.290 332 N HN 0.588 nan 8.380 nan 0.000 0.513 333 K N 1.029 121.229 120.400 -0.333 0.000 2.665 333 K HA -0.004 4.316 4.320 0.000 0.000 0.196 333 K C -0.460 175.605 176.600 -0.891 0.000 1.021 333 K CA 0.655 56.524 56.287 -0.697 0.000 1.066 333 K CB -0.223 31.765 32.500 -0.853 0.000 0.849 333 K HN 0.549 nan 8.250 nan 0.000 0.500 334 F N -0.206 119.802 119.950 0.096 0.000 2.775 334 F HA 0.090 4.617 4.527 0.000 0.000 0.313 334 F C 0.420 176.331 175.800 0.185 0.000 1.121 334 F CA -1.120 56.969 58.000 0.148 0.000 1.206 334 F CB 0.354 39.438 39.000 0.141 0.000 1.052 334 F HN -0.068 nan 8.300 nan 0.000 0.524 335 D N 1.236 121.755 120.400 0.199 0.000 2.382 335 D HA -0.054 4.586 4.640 0.000 0.000 0.259 335 D C 1.343 177.741 176.300 0.164 0.000 1.224 335 D CA 0.681 54.789 54.000 0.179 0.000 0.894 335 D CB 1.456 42.319 40.800 0.104 0.000 1.127 335 D HN 0.088 nan 8.370 nan 0.000 0.487 336 T N 2.809 117.475 114.554 0.186 0.000 2.915 336 T HA 0.004 4.354 4.350 0.000 0.000 0.269 336 T C 1.361 176.150 174.700 0.148 0.000 1.071 336 T CA 1.556 63.751 62.100 0.158 0.000 1.132 336 T CB -0.510 68.397 68.868 0.066 0.000 0.878 336 T HN 0.798 nan 8.240 nan 0.000 0.479 337 G N -0.079 108.775 108.800 0.089 0.000 2.221 337 G HA2 -0.030 3.930 3.960 0.000 0.000 0.265 337 G HA3 -0.030 3.930 3.960 0.000 0.000 0.265 337 G C 1.038 175.939 174.900 0.002 0.000 1.041 337 G CA 0.569 45.713 45.100 0.074 0.000 0.807 337 G HN 1.479 nan 8.290 nan 0.000 0.502 338 G N -2.076 106.657 108.800 -0.111 0.000 2.195 338 G HA2 -0.144 3.816 3.960 0.000 0.000 0.224 338 G HA3 -0.144 3.816 3.960 0.000 0.000 0.224 338 G C 0.282 174.866 174.900 -0.528 0.000 0.990 338 G CA 0.249 45.150 45.100 -0.331 0.000 0.639 338 G HN 1.194 nan 8.290 nan 0.000 0.514 339 F N 2.798 122.642 119.950 -0.177 0.000 2.425 339 F HA 0.422 4.949 4.527 0.000 0.000 0.354 339 F C 1.039 176.683 175.800 -0.260 0.000 1.162 339 F CA -0.322 57.557 58.000 -0.201 0.000 1.250 339 F CB 0.845 39.748 39.000 -0.160 0.000 1.579 339 F HN 0.159 nan 8.300 nan 0.000 0.589 340 D N 0.103 120.332 120.400 -0.285 0.000 2.433 340 D HA 0.023 4.663 4.640 0.000 0.000 0.211 340 D C 0.395 176.387 176.300 -0.513 0.000 1.114 340 D CA -0.109 53.649 54.000 -0.402 0.000 0.837 340 D CB 0.126 40.675 40.800 -0.418 0.000 0.984 340 D HN 0.286 nan 8.370 nan 0.000 0.505 341 R N 0.699 120.781 120.500 -0.697 0.000 2.254 341 R HA 0.523 4.863 4.340 0.000 0.000 0.318 341 R C 0.002 175.530 176.300 -1.287 0.000 1.031 341 R CA -0.145 55.305 56.100 -1.083 0.000 0.905 341 R CB 1.315 30.729 30.300 -1.478 0.000 1.050 341 R HN 0.175 nan 8.270 nan 0.000 0.456 342 T N -0.544 113.547 114.554 -0.772 0.000 2.864 342 T HA 0.554 4.904 4.350 0.000 0.000 0.299 342 T C -1.095 173.645 174.700 0.066 0.000 1.166 342 T CA -1.113 60.849 62.100 -0.231 0.000 1.007 342 T CB 2.301 71.175 68.868 0.009 0.000 1.219 342 T HN 0.391 nan 8.240 nan 0.000 0.506 343 K N 0.924 121.461 120.400 0.228 0.000 2.482 343 K HA 0.725 5.045 4.320 0.000 0.000 0.251 343 K C -1.028 175.467 176.600 -0.176 0.000 0.936 343 K CA -0.204 56.129 56.287 0.076 0.000 0.791 343 K CB 1.899 34.477 32.500 0.129 0.000 1.213 343 K HN 1.063 nan 8.250 nan 0.000 0.428 344 S N 2.718 118.236 115.700 -0.302 0.000 2.661 344 S HA 0.831 5.301 4.470 0.000 0.000 0.285 344 S C -1.496 172.803 174.600 -0.502 0.000 1.138 344 S CA -1.051 56.774 58.200 -0.625 0.000 0.855 344 S CB 1.564 64.112 63.200 -1.087 0.000 1.136 344 S HN 0.615 nan 8.310 nan 0.000 0.484 345 K N -0.093 119.932 120.400 -0.625 0.000 2.562 345 K HA 0.684 5.004 4.320 0.000 0.000 0.267 345 K C -0.524 175.986 176.600 -0.150 0.000 0.938 345 K CA -0.900 55.119 56.287 -0.446 0.000 0.840 345 K CB 1.608 33.494 32.500 -1.024 0.000 1.390 345 K HN 0.932 nan 8.250 nan 0.000 0.428 346 G N -0.044 108.862 108.800 0.177 0.000 2.816 346 G HA2 0.889 4.849 3.960 0.000 0.000 0.288 346 G HA3 0.889 4.849 3.960 0.000 0.000 0.288 346 G C -1.503 173.630 174.900 0.388 0.000 1.334 346 G CA -0.569 44.756 45.100 0.375 0.000 0.978 346 G HN 0.806 nan 8.290 nan 0.000 0.493 347 A N -1.480 121.482 122.820 0.237 0.000 2.601 347 A HA 0.677 4.997 4.320 0.000 0.000 0.291 347 A C -2.278 175.206 177.584 -0.167 0.000 1.075 347 A CA -0.660 51.400 52.037 0.038 0.000 0.671 347 A CB 0.878 19.939 19.000 0.100 0.000 1.277 347 A HN 0.671 nan 8.150 nan 0.000 0.417 348 Y N 0.575 120.827 120.300 -0.080 0.000 2.331 348 Y HA 0.553 5.103 4.550 0.000 0.000 0.338 348 Y C -0.070 175.731 175.900 -0.165 0.000 0.976 348 Y CA -0.375 57.625 58.100 -0.166 0.000 1.137 348 Y CB 1.620 39.966 38.460 -0.190 0.000 1.172 348 Y HN 0.493 nan 8.280 nan 0.000 0.478 349 L N 5.051 126.245 121.223 -0.048 0.000 2.265 349 L HA 0.464 4.804 4.340 0.000 0.000 0.289 349 L C 1.127 177.969 176.870 -0.047 0.000 1.033 349 L CA -0.449 54.317 54.840 -0.124 0.000 0.814 349 L CB 1.471 43.330 42.059 -0.333 0.000 1.203 349 L HN 0.710 nan 8.230 nan 0.000 0.423 350 R N 1.520 122.003 120.500 -0.029 0.000 2.153 350 R HA 0.071 4.411 4.340 0.000 0.000 0.218 350 R C 0.071 176.365 176.300 -0.011 0.000 1.072 350 R CA 0.849 56.944 56.100 -0.008 0.000 0.990 350 R CB 0.284 30.578 30.300 -0.010 0.000 0.889 350 R HN 0.562 nan 8.270 nan 0.000 0.452 351 K N 0.106 120.485 120.400 -0.034 0.000 2.444 351 K HA 0.395 4.715 4.320 0.000 0.000 0.252 351 K C -2.752 173.815 176.600 -0.054 0.000 0.993 351 K CA -2.201 54.074 56.287 -0.020 0.000 0.847 351 K CB 1.701 34.200 32.500 -0.001 0.000 1.340 351 K HN -0.263 nan 8.250 nan 0.000 0.446 352 P HA 0.025 nan 4.420 nan 0.000 0.272 352 P C -0.851 176.465 177.300 0.027 0.000 1.223 352 P CA -0.222 62.880 63.100 0.004 0.000 0.784 352 P CB 0.245 32.004 31.700 0.099 0.000 0.923 353 W N 0.623 121.952 121.300 0.048 0.000 2.253 353 W HA 0.108 4.768 4.660 0.000 0.000 0.348 353 W C 1.377 177.904 176.519 0.014 0.000 1.267 353 W CA -0.002 57.353 57.345 0.016 0.000 1.298 353 W CB -0.678 28.769 29.460 -0.022 0.000 1.181 353 W HN 0.311 nan 8.180 nan 0.000 0.585 354 T N -0.585 114.129 114.554 0.268 0.000 2.828 354 T HA 0.415 4.765 4.350 0.000 0.000 0.290 354 T C 1.118 175.885 174.700 0.112 0.000 1.019 354 T CA -0.236 61.953 62.100 0.149 0.000 1.031 354 T CB 1.383 70.313 68.868 0.104 0.000 1.001 354 T HN 0.605 nan 8.240 nan 0.000 0.531 355 A N 1.527 124.388 122.820 0.069 0.000 1.940 355 A HA 0.120 4.440 4.320 0.000 0.000 0.219 355 A C 2.642 180.235 177.584 0.016 0.000 1.176 355 A CA 1.951 54.010 52.037 0.038 0.000 0.631 355 A CB -1.521 17.494 19.000 0.026 0.000 0.814 355 A HN 1.279 nan 8.150 nan 0.000 0.446 356 A N -0.965 121.865 122.820 0.017 0.000 1.930 356 A HA -0.162 4.158 4.320 0.000 0.000 0.217 356 A C 2.111 179.676 177.584 -0.032 0.000 1.175 356 A CA 1.509 53.543 52.037 -0.004 0.000 0.627 356 A CB -0.461 18.541 19.000 0.003 0.000 0.815 356 A HN 0.652 nan 8.150 nan 0.000 0.443 357 Q N -0.709 119.077 119.800 -0.023 0.000 2.119 357 Q HA -0.052 4.288 4.340 0.000 0.000 0.201 357 Q C 2.403 178.281 176.000 -0.204 0.000 0.972 357 Q CA 1.181 56.916 55.803 -0.112 0.000 0.847 357 Q CB -0.332 28.419 28.738 0.020 0.000 0.903 357 Q HN 0.679 nan 8.270 nan 0.000 0.433 358 A N 1.047 123.807 122.820 -0.100 0.000 1.933 358 A HA -0.096 4.224 4.320 0.000 0.000 0.218 358 A C 2.258 179.845 177.584 0.005 0.000 1.175 358 A CA 1.520 53.509 52.037 -0.080 0.000 0.628 358 A CB -0.619 18.375 19.000 -0.010 0.000 0.814 358 A HN 0.386 nan 8.150 nan 0.000 0.444 359 A N -1.284 121.527 122.820 -0.016 0.000 1.930 359 A HA -0.038 4.282 4.320 0.000 0.000 0.217 359 A C 2.289 179.862 177.584 -0.017 0.000 1.175 359 A CA 2.155 54.189 52.037 -0.005 0.000 0.627 359 A CB -1.090 17.895 19.000 -0.025 0.000 0.815 359 A HN 0.400 nan 8.150 nan 0.000 0.443 360 T N 0.275 114.789 114.554 -0.066 0.000 2.737 360 T HA -0.093 4.257 4.350 0.000 0.000 0.265 360 T C 1.803 176.476 174.700 -0.045 0.000 1.038 360 T CA 1.338 63.402 62.100 -0.060 0.000 1.144 360 T CB -0.316 68.496 68.868 -0.092 0.000 0.866 360 T HN 0.190 nan 8.240 nan 0.000 0.434 361 L N 0.396 121.531 121.223 -0.147 0.000 2.021 361 L HA -0.112 4.228 4.340 0.000 0.000 0.215 361 L C 2.042 178.812 176.870 -0.166 0.000 1.074 361 L CA 1.805 56.547 54.840 -0.163 0.000 0.760 361 L CB -1.369 40.580 42.059 -0.182 0.000 0.889 361 L HN 0.357 nan 8.230 nan 0.000 0.433 362 Y N 0.673 120.772 120.300 -0.334 0.000 2.036 362 Y HA -0.294 4.256 4.550 0.000 0.000 0.273 362 Y C 2.780 178.489 175.900 -0.318 0.000 1.135 362 Y CA 1.958 59.701 58.100 -0.596 0.000 1.106 362 Y CB -0.306 37.856 38.460 -0.496 0.000 0.976 362 Y HN 0.113 nan 8.280 nan 0.000 0.483 363 R N -0.892 119.540 120.500 -0.113 0.000 2.165 363 R HA -0.305 4.035 4.340 0.000 0.000 0.254 363 R C 1.990 178.123 176.300 -0.280 0.000 1.153 363 R CA 2.311 58.288 56.100 -0.205 0.000 0.971 363 R CB -1.100 29.080 30.300 -0.199 0.000 0.878 363 R HN 0.589 nan 8.270 nan 0.000 0.449 364 H N -0.327 118.649 119.070 -0.157 0.000 2.436 364 H HA 0.089 4.645 4.556 0.000 0.000 0.294 364 H C 2.030 177.382 175.328 0.040 0.000 1.048 364 H CA 0.861 56.893 56.048 -0.027 0.000 1.353 364 H CB 0.209 29.818 29.762 -0.256 0.000 1.414 364 H HN 0.070 nan 8.280 nan 0.000 0.536 365 L N -1.052 120.110 121.223 -0.102 0.000 2.249 365 L HA -0.055 4.285 4.340 0.000 0.000 0.207 365 L C 2.422 178.917 176.870 -0.624 0.000 1.090 365 L CA 0.595 55.305 54.840 -0.217 0.000 0.802 365 L CB -0.100 41.899 42.059 -0.101 0.000 0.947 365 L HN 0.200 nan 8.230 nan 0.000 0.453 366 S N 0.108 115.313 115.700 -0.824 0.000 2.428 366 S HA 0.054 4.524 4.470 0.000 0.000 0.230 366 S C 1.238 175.438 174.600 -0.666 0.000 1.014 366 S CA 0.456 58.022 58.200 -1.058 0.000 0.957 366 S CB -0.129 62.368 63.200 -1.171 0.000 0.784 366 S HN 0.319 nan 8.310 nan 0.000 0.499 367 A N 1.393 123.950 122.820 -0.439 0.000 2.547 367 A HA 0.113 4.433 4.320 0.000 0.000 0.233 367 A C 0.316 177.670 177.584 -0.383 0.000 1.067 367 A CA 0.190 52.035 52.037 -0.320 0.000 0.763 367 A CB -0.134 18.764 19.000 -0.170 0.000 1.007 367 A HN 0.434 nan 8.150 nan 0.000 0.506 368 D N 0.935 121.145 120.400 -0.317 0.000 3.038 368 D HA 0.216 4.856 4.640 0.000 0.000 0.243 368 D C 0.958 177.044 176.300 -0.357 0.000 1.245 368 D CA 0.787 54.599 54.000 -0.313 0.000 0.871 368 D CB -0.535 40.128 40.800 -0.229 0.000 1.089 368 D HN 0.674 nan 8.370 nan 0.000 0.464 369 S N 0.095 115.487 115.700 -0.513 0.000 2.537 369 S HA -0.215 4.255 4.470 0.000 0.000 0.280 369 S C 0.930 175.217 174.600 -0.523 0.000 1.335 369 S CA -0.027 57.725 58.200 -0.746 0.000 1.025 369 S CB 0.959 63.388 63.200 -1.284 0.000 0.836 369 S HN 0.411 nan 8.310 nan 0.000 0.523 370 Q N 0.972 120.476 119.800 -0.495 0.000 2.204 370 Q HA 0.390 4.730 4.340 0.000 0.000 0.209 370 Q C -0.170 175.662 176.000 -0.280 0.000 0.861 370 Q CA -0.173 55.437 55.803 -0.323 0.000 0.971 370 Q CB 0.298 28.867 28.738 -0.281 0.000 1.095 370 Q HN 0.777 nan 8.270 nan 0.000 0.486 371 V N -2.627 117.050 119.914 -0.394 0.000 2.823 371 V HA 0.444 4.564 4.120 0.000 0.000 0.312 371 V C -0.980 175.054 176.094 -0.100 0.000 1.072 371 V CA -0.981 61.193 62.300 -0.211 0.000 0.937 371 V CB 1.491 33.153 31.823 -0.268 0.000 1.013 371 V HN 0.421 nan 8.190 nan 0.000 0.430 372 W N 4.992 126.220 121.300 -0.120 0.000 1.539 372 W HA 0.453 5.113 4.660 0.000 0.000 0.502 372 W C 0.504 177.027 176.519 0.006 0.000 0.689 372 W CA 0.347 57.647 57.345 -0.075 0.000 2.088 372 W CB 0.212 29.619 29.460 -0.088 0.000 1.686 372 W HN 0.975 nan 8.180 nan 0.000 0.211 373 G N 3.234 112.002 108.800 -0.054 0.000 2.367 373 G HA2 0.507 4.467 3.960 0.000 0.000 0.314 373 G HA3 0.507 4.467 3.960 0.000 0.000 0.314 373 G C -0.964 173.919 174.900 -0.028 0.000 1.130 373 G CA -0.398 44.740 45.100 0.064 0.000 0.864 373 G HN 0.432 nan 8.290 nan 0.000 0.486 374 E N -0.083 120.132 120.200 0.025 0.000 2.375 374 E HA 0.458 4.808 4.350 0.000 0.000 0.280 374 E C -1.937 174.697 176.600 0.056 0.000 0.972 374 E CA -0.896 55.535 56.400 0.052 0.000 0.782 374 E CB 2.067 31.839 29.700 0.120 0.000 1.229 374 E HN 0.264 nan 8.360 nan 0.000 0.439 375 V N 1.324 121.285 119.914 0.078 0.000 2.483 375 V HA 0.369 4.489 4.120 0.000 0.000 0.297 375 V C -0.682 175.468 176.094 0.093 0.000 1.027 375 V CA -0.656 61.678 62.300 0.057 0.000 0.855 375 V CB 1.765 33.572 31.823 -0.026 0.000 0.995 375 V HN 0.715 nan 8.190 nan 0.000 0.424 376 S N 6.241 122.022 115.700 0.134 0.000 2.437 376 S HA 0.706 5.176 4.470 0.000 0.000 0.305 376 S C -0.464 174.036 174.600 -0.167 0.000 1.109 376 S CA -0.543 57.633 58.200 -0.040 0.000 1.099 376 S CB 1.008 64.197 63.200 -0.019 0.000 1.004 376 S HN 0.539 nan 8.310 nan 0.000 0.475 377 L N 3.913 125.013 121.223 -0.206 0.000 2.280 377 L HA 0.516 4.856 4.340 0.000 0.000 0.287 377 L C -1.286 175.492 176.870 -0.153 0.000 1.023 377 L CA -0.786 54.007 54.840 -0.078 0.000 0.819 377 L CB 0.248 42.327 42.059 0.034 0.000 1.212 377 L HN 0.621 nan 8.230 nan 0.000 0.420 378 Y N 0.622 121.046 120.300 0.207 0.000 2.341 378 Y HA 0.311 4.861 4.550 -0.000 0.000 0.337 378 Y C 0.947 176.947 175.900 0.167 0.000 1.014 378 Y CA -0.926 57.300 58.100 0.209 0.000 1.111 378 Y CB 1.659 40.388 38.460 0.448 0.000 1.194 378 Y HN 0.628 nan 8.280 nan 0.000 0.462 379 S N 2.738 118.548 115.700 0.184 0.000 2.558 379 S HA 0.178 4.648 4.470 0.000 0.000 0.288 379 S C -0.884 173.977 174.600 0.435 0.000 1.318 379 S CA -0.206 58.138 58.200 0.240 0.000 1.056 379 S CB 0.432 63.803 63.200 0.285 0.000 0.853 379 S HN 0.723 nan 8.310 nan 0.000 0.505 380 Y N 1.560 121.991 120.300 0.218 0.000 2.876 380 Y HA 0.653 5.203 4.550 0.000 0.000 0.317 380 Y C 0.867 176.854 175.900 0.146 0.000 1.369 380 Y CA 0.326 58.532 58.100 0.177 0.000 1.101 380 Y CB 1.288 39.812 38.460 0.107 0.000 1.346 380 Y HN 1.236 nan 8.280 nan 0.000 0.505 381 G N 0.471 109.174 108.800 -0.162 0.000 2.481 381 G HA2 0.314 4.274 3.960 0.000 0.000 0.230 381 G HA3 0.314 4.274 3.960 0.000 0.000 0.230 381 G C 0.455 175.274 174.900 -0.134 0.000 1.210 381 G CA 0.164 45.230 45.100 -0.055 0.000 0.936 381 G HN 2.164 nan 8.290 nan 0.000 0.583 382 G N -0.531 108.239 108.800 -0.050 0.000 2.528 382 G HA2 -0.023 3.937 3.960 0.000 0.000 0.262 382 G HA3 -0.023 3.937 3.960 0.000 0.000 0.262 382 G C 0.987 175.858 174.900 -0.048 0.000 1.200 382 G CA 1.521 46.596 45.100 -0.041 0.000 0.951 382 G HN 1.904 nan 8.290 nan 0.000 0.566 383 K N -0.084 120.294 120.400 -0.037 0.000 2.280 383 K HA 0.163 4.483 4.320 0.000 0.000 0.202 383 K C 2.582 179.156 176.600 -0.044 0.000 1.047 383 K CA 2.080 58.353 56.287 -0.023 0.000 0.942 383 K CB -0.442 32.062 32.500 0.007 0.000 0.739 383 K HN 1.029 nan 8.250 nan 0.000 0.457 384 V N 0.990 120.842 119.914 -0.103 0.000 2.469 384 V HA -0.216 3.904 4.120 0.000 0.000 0.251 384 V C 0.827 176.885 176.094 -0.059 0.000 1.064 384 V CA 2.016 64.251 62.300 -0.108 0.000 1.066 384 V CB -0.409 31.270 31.823 -0.241 0.000 0.667 384 V HN 0.429 nan 8.190 nan 0.000 0.461 385 N N -0.005 118.663 118.700 -0.054 0.000 2.398 385 N HA 0.050 4.790 4.740 0.000 0.000 0.188 385 N C 1.611 177.114 175.510 -0.012 0.000 1.122 385 N CA 0.988 54.024 53.050 -0.023 0.000 0.866 385 N CB 0.164 38.642 38.487 -0.015 0.000 0.970 385 N HN 0.431 nan 8.380 nan 0.000 0.462 386 S N -0.143 115.550 115.700 -0.011 0.000 2.607 386 S HA 0.083 4.553 4.470 0.000 0.000 0.224 386 S C 0.630 175.235 174.600 0.008 0.000 0.969 386 S CA 0.089 58.289 58.200 -0.001 0.000 0.927 386 S CB 0.319 63.519 63.200 0.001 0.000 0.772 386 S HN -0.020 nan 8.310 nan 0.000 0.533 387 V N 3.195 123.114 119.914 0.010 0.000 2.495 387 V HA 0.360 4.480 4.120 0.000 0.000 0.298 387 V C -2.516 173.598 176.094 0.033 0.000 1.031 387 V CA -2.433 59.883 62.300 0.025 0.000 0.871 387 V CB 1.404 33.243 31.823 0.027 0.000 0.988 387 V HN 0.003 nan 8.190 nan 0.000 0.432 388 P HA 0.087 nan 4.420 nan 0.000 0.266 388 P C 0.827 178.169 177.300 0.070 0.000 1.195 388 P CA 0.017 63.149 63.100 0.052 0.000 0.768 388 P CB 0.773 32.508 31.700 0.058 0.000 0.838 389 E N 1.582 121.819 120.200 0.062 0.000 2.187 389 E HA -0.256 4.094 4.350 0.000 0.000 0.199 389 E C 1.409 178.092 176.600 0.138 0.000 1.004 389 E CA 1.965 58.409 56.400 0.073 0.000 0.813 389 E CB -0.158 29.577 29.700 0.058 0.000 0.736 389 E HN 0.453 nan 8.360 nan 0.000 0.468 390 T N -1.925 112.723 114.554 0.157 0.000 3.060 390 T HA 0.306 4.656 4.350 0.000 0.000 0.249 390 T C 1.464 176.373 174.700 0.349 0.000 1.079 390 T CA 0.616 62.867 62.100 0.251 0.000 1.013 390 T CB -0.054 68.894 68.868 0.133 0.000 0.975 390 T HN 0.268 nan 8.240 nan 0.000 0.518 391 A N 0.345 123.322 122.820 0.261 0.000 2.019 391 A HA 0.198 4.518 4.320 0.000 0.000 0.219 391 A C 1.505 179.368 177.584 0.466 0.000 1.164 391 A CA 1.176 53.397 52.037 0.307 0.000 0.644 391 A CB -0.379 18.743 19.000 0.203 0.000 0.805 391 A HN 0.497 nan 8.150 nan 0.000 0.449 392 T N -3.498 111.237 114.554 0.301 0.000 2.864 392 T HA 0.552 4.902 4.350 0.000 0.000 0.289 392 T C 0.451 174.836 174.700 -0.525 0.000 1.082 392 T CA 0.081 62.135 62.100 -0.078 0.000 1.009 392 T CB 1.742 70.570 68.868 -0.067 0.000 1.234 392 T HN 0.336 nan 8.240 nan 0.000 0.526 393 A N 1.192 123.471 122.820 -0.901 0.000 2.302 393 A HA 0.299 4.619 4.320 0.000 0.000 0.219 393 A C 0.907 178.330 177.584 -0.268 0.000 1.243 393 A CA 0.321 51.837 52.037 -0.868 0.000 0.856 393 A CB -0.666 17.706 19.000 -1.046 0.000 0.893 393 A HN 0.746 nan 8.150 nan 0.000 0.491 394 T N -3.045 111.411 114.554 -0.163 0.000 2.853 394 T HA 0.612 4.962 4.350 0.000 0.000 0.317 394 T C 0.762 175.451 174.700 -0.019 0.000 1.059 394 T CA -0.009 62.078 62.100 -0.020 0.000 0.954 394 T CB 1.395 70.265 68.868 0.004 0.000 0.994 394 T HN 0.303 nan 8.240 nan 0.000 0.479 395 A N 3.087 125.916 122.820 0.014 0.000 2.016 395 A HA 0.123 4.444 4.320 0.000 0.000 0.217 395 A C 1.312 178.852 177.584 -0.073 0.000 1.162 395 A CA 0.352 52.398 52.037 0.016 0.000 0.662 395 A CB -0.337 18.712 19.000 0.083 0.000 0.812 395 A HN 0.737 nan 8.150 nan 0.000 0.450 396 Q N 0.909 120.585 119.800 -0.207 0.000 2.534 396 Q HA 0.243 4.583 4.340 0.000 0.000 0.223 396 Q C -0.165 175.693 176.000 -0.237 0.000 1.239 396 Q CA 0.199 55.769 55.803 -0.388 0.000 0.936 396 Q CB 0.357 28.435 28.738 -1.100 0.000 1.457 396 Q HN 0.209 nan 8.270 nan 0.000 0.547 397 R N 1.616 122.048 120.500 -0.113 0.000 2.767 397 R HA 0.168 4.508 4.340 0.000 0.000 0.377 397 R C -0.503 175.783 176.300 -0.023 0.000 1.151 397 R CA -0.017 56.057 56.100 -0.044 0.000 1.046 397 R CB 0.421 30.709 30.300 -0.019 0.000 1.404 397 R HN 0.418 nan 8.270 nan 0.000 0.580 398 D N -0.774 119.610 120.400 -0.027 0.000 2.848 398 D HA 0.102 4.742 4.640 0.000 0.000 0.303 398 D C -0.805 175.505 176.300 0.017 0.000 1.665 398 D CA 0.155 54.152 54.000 -0.004 0.000 0.807 398 D CB 0.643 41.433 40.800 -0.016 0.000 1.288 398 D HN -0.161 nan 8.370 nan 0.000 0.441 399 S N -0.060 115.677 115.700 0.062 0.000 2.651 399 S HA 0.493 4.963 4.470 0.000 0.000 0.291 399 S C 1.339 176.071 174.600 0.221 0.000 1.141 399 S CA -0.754 57.516 58.200 0.116 0.000 1.027 399 S CB 1.427 64.688 63.200 0.102 0.000 1.043 399 S HN 0.339 nan 8.310 nan 0.000 0.530 400 I N -1.642 119.032 120.570 0.173 0.000 4.323 400 I HA 0.521 4.691 4.170 0.000 0.000 0.328 400 I C -0.492 175.759 176.117 0.223 0.000 1.310 400 I CA 0.264 61.683 61.300 0.199 0.000 1.186 400 I CB 0.279 38.362 38.000 0.138 0.000 1.130 400 I HN 0.342 nan 8.210 nan 0.000 0.411 401 I N 2.144 122.790 120.570 0.127 0.000 2.607 401 I HA 0.410 4.580 4.170 0.000 0.000 0.290 401 I C -0.763 175.343 176.117 -0.018 0.000 1.129 401 I CA -0.613 60.715 61.300 0.047 0.000 1.042 401 I CB 2.487 40.434 38.000 -0.089 0.000 1.242 401 I HN -0.020 nan 8.210 nan 0.000 0.421 402 K N 4.933 125.343 120.400 0.016 0.000 2.138 402 K HA 0.671 4.991 4.320 0.000 0.000 0.263 402 K C -0.969 175.734 176.600 0.171 0.000 0.965 402 K CA -0.560 55.664 56.287 -0.105 0.000 0.868 402 K CB 2.706 35.016 32.500 -0.318 0.000 1.083 402 K HN 0.490 nan 8.250 nan 0.000 0.443 403 V N 0.126 120.144 119.914 0.173 0.000 2.604 403 V HA 0.628 4.748 4.120 0.000 0.000 0.305 403 V C -1.651 174.718 176.094 0.460 0.000 1.043 403 V CA -0.873 61.622 62.300 0.326 0.000 0.888 403 V CB 1.560 33.578 31.823 0.325 0.000 0.995 403 V HN 0.867 nan 8.190 nan 0.000 0.429 404 W N 6.445 127.883 121.300 0.231 0.000 2.715 404 W HA 0.812 5.472 4.660 -0.000 0.000 0.331 404 W C -0.877 175.684 176.519 0.070 0.000 1.031 404 W CA -0.936 56.451 57.345 0.070 0.000 1.237 404 W CB 2.165 31.673 29.460 0.080 0.000 1.378 404 W HN 0.674 nan 8.180 nan 0.000 0.454 405 M N 5.717 125.095 119.600 -0.371 0.000 2.404 405 M HA 0.591 5.071 4.480 0.000 0.000 0.338 405 M C -0.060 175.746 176.300 -0.824 0.000 1.150 405 M CA -0.667 54.393 55.300 -0.401 0.000 1.016 405 M CB 1.900 34.387 32.600 -0.187 0.000 1.672 405 M HN 0.465 nan 8.290 nan 0.000 0.448 406 S N 1.320 116.684 115.700 -0.561 0.000 2.547 406 S HA 0.900 5.370 4.470 0.000 0.000 0.270 406 S C -1.521 173.010 174.600 -0.114 0.000 1.150 406 S CA -0.935 56.945 58.200 -0.533 0.000 0.850 406 S CB 2.047 64.761 63.200 -0.810 0.000 1.118 406 S HN 0.895 nan 8.310 nan 0.000 0.461 407 A N 1.457 124.290 122.820 0.021 0.000 2.343 407 A HA 0.841 5.161 4.320 0.000 0.000 0.316 407 A C -0.359 177.499 177.584 0.458 0.000 1.104 407 A CA -0.705 51.471 52.037 0.231 0.000 0.768 407 A CB 1.416 20.525 19.000 0.182 0.000 1.213 407 A HN 0.865 nan 8.150 nan 0.000 0.456 408 T N 2.252 117.118 114.554 0.521 0.000 2.848 408 T HA 0.712 5.062 4.350 0.000 0.000 0.285 408 T C -0.759 174.322 174.700 0.635 0.000 0.995 408 T CA -0.142 62.254 62.100 0.492 0.000 0.970 408 T CB 0.647 69.731 68.868 0.360 0.000 0.976 408 T HN 1.049 nan 8.240 nan 0.000 0.441 409 W N 2.502 123.929 121.300 0.210 0.000 2.895 409 W HA 0.618 5.278 4.660 -0.000 0.000 0.377 409 W C -0.004 176.611 176.519 0.160 0.000 1.191 409 W CA -1.020 56.498 57.345 0.289 0.000 1.179 409 W CB 1.174 30.740 29.460 0.176 0.000 1.469 409 W HN 0.607 nan 8.180 nan 0.000 0.577 410 M N 0.676 120.360 119.600 0.140 0.000 2.627 410 M HA 0.153 4.633 4.480 0.000 0.000 0.236 410 M C -0.143 176.075 176.300 -0.137 0.000 1.483 410 M CA 0.327 55.480 55.300 -0.244 0.000 1.139 410 M CB 0.219 32.507 32.600 -0.520 0.000 1.399 410 M HN 0.405 nan 8.290 nan 0.000 0.549 411 D N 2.371 122.798 120.400 0.045 0.000 2.249 411 D HA 0.167 4.807 4.640 0.000 0.000 0.246 411 D C -1.989 174.305 176.300 -0.010 0.000 1.114 411 D CA -1.694 52.260 54.000 -0.076 0.000 0.854 411 D CB 1.504 42.178 40.800 -0.209 0.000 1.132 411 D HN 0.144 nan 8.370 nan 0.000 0.461 412 P HA -0.208 nan 4.420 nan 0.000 0.216 412 P C 1.310 178.596 177.300 -0.022 0.000 1.150 412 P CA 1.458 64.575 63.100 0.029 0.000 0.843 412 P CB 0.013 31.698 31.700 -0.025 0.000 0.787 413 A N -0.046 122.676 122.820 -0.163 0.000 2.032 413 A HA -0.205 4.115 4.320 0.000 0.000 0.221 413 A C 1.156 178.691 177.584 -0.081 0.000 1.165 413 A CA 1.550 53.494 52.037 -0.155 0.000 0.645 413 A CB -1.733 17.142 19.000 -0.209 0.000 0.807 413 A HN 0.487 nan 8.150 nan 0.000 0.453 414 H N -1.567 117.505 119.070 0.003 0.000 2.481 414 H HA 0.238 4.794 4.556 0.000 0.000 0.273 414 H C 0.262 175.418 175.328 -0.287 0.000 1.145 414 H CA -0.519 55.459 56.048 -0.117 0.000 0.964 414 H CB 0.342 30.019 29.762 -0.142 0.000 1.722 414 H HN 0.258 nan 8.280 nan 0.000 0.573 415 D N 1.356 121.721 120.400 -0.058 0.000 2.092 415 D HA -0.160 4.480 4.640 0.000 0.000 0.193 415 D C 1.372 177.537 176.300 -0.225 0.000 0.994 415 D CA 1.369 55.299 54.000 -0.117 0.000 0.828 415 D CB -0.074 40.814 40.800 0.146 0.000 0.963 415 D HN 0.443 nan 8.370 nan 0.000 0.450 416 D N 0.272 120.627 120.400 -0.075 0.000 2.133 416 D HA -0.125 4.515 4.640 0.000 0.000 0.195 416 D C 1.956 178.211 176.300 -0.075 0.000 0.997 416 D CA 1.661 55.639 54.000 -0.038 0.000 0.840 416 D CB -0.173 40.634 40.800 0.012 0.000 0.947 416 D HN 0.173 nan 8.370 nan 0.000 0.452 417 A N 0.658 123.412 122.820 -0.111 0.000 1.858 417 A HA -0.219 4.101 4.320 0.000 0.000 0.216 417 A C 2.017 179.513 177.584 -0.147 0.000 1.190 417 A CA 1.416 53.389 52.037 -0.108 0.000 0.617 417 A CB -0.624 18.296 19.000 -0.132 0.000 0.827 417 A HN 0.171 nan 8.150 nan 0.000 0.443 418 N N -0.075 118.415 118.700 -0.350 0.000 2.069 418 N HA -0.144 4.596 4.740 0.000 0.000 0.191 418 N C 1.798 177.138 175.510 -0.283 0.000 1.031 418 N CA 1.702 54.483 53.050 -0.448 0.000 0.852 418 N CB -0.372 37.396 38.487 -1.199 0.000 1.018 418 N HN 0.464 nan 8.380 nan 0.000 0.423 419 L N 1.098 122.134 121.223 -0.312 0.000 2.046 419 L HA -0.150 4.190 4.340 0.000 0.000 0.208 419 L C 2.605 179.424 176.870 -0.084 0.000 1.077 419 L CA 1.155 55.905 54.840 -0.150 0.000 0.747 419 L CB -0.495 41.522 42.059 -0.069 0.000 0.896 419 L HN 0.118 nan 8.230 nan 0.000 0.432 420 A N -0.397 122.424 122.820 0.001 0.000 1.917 420 A HA -0.297 4.023 4.320 0.000 0.000 0.219 420 A C 2.183 179.802 177.584 0.057 0.000 1.182 420 A CA 1.822 53.914 52.037 0.092 0.000 0.633 420 A CB -1.160 17.925 19.000 0.142 0.000 0.819 420 A HN 0.713 nan 8.150 nan 0.000 0.448 421 W N 1.424 122.649 121.300 -0.125 0.000 2.353 421 W HA -0.262 4.398 4.660 0.000 0.000 0.319 421 W C 1.831 178.235 176.519 -0.192 0.000 1.207 421 W CA 2.307 59.571 57.345 -0.135 0.000 1.291 421 W CB -0.301 29.071 29.460 -0.146 0.000 1.159 421 W HN 0.445 nan 8.180 nan 0.000 0.478 422 I N 0.485 120.917 120.570 -0.229 0.000 2.286 422 I HA -0.189 3.981 4.170 0.000 0.000 0.248 422 I C 2.367 178.220 176.117 -0.441 0.000 1.115 422 I CA 1.642 62.711 61.300 -0.384 0.000 1.392 422 I CB -1.365 36.486 38.000 -0.248 0.000 1.065 422 I HN -0.149 nan 8.210 nan 0.000 0.418 423 R N 0.693 120.918 120.500 -0.459 0.000 2.120 423 R HA -0.109 4.231 4.340 0.000 0.000 0.234 423 R C 2.229 178.221 176.300 -0.515 0.000 1.123 423 R CA 1.562 57.256 56.100 -0.678 0.000 0.975 423 R CB -0.353 29.215 30.300 -1.222 0.000 0.866 423 R HN 0.523 nan 8.270 nan 0.000 0.446 424 E N 0.204 120.171 120.200 -0.388 0.000 2.076 424 E HA -0.080 4.270 4.350 0.000 0.000 0.190 424 E C 1.821 178.160 176.600 -0.435 0.000 0.979 424 E CA 0.912 57.169 56.400 -0.237 0.000 0.807 424 E CB 0.080 29.700 29.700 -0.132 0.000 0.761 424 E HN 0.269 nan 8.360 nan 0.000 0.454 425 I N 0.023 120.110 120.570 -0.805 0.000 2.286 425 I HA -0.262 3.908 4.170 0.000 0.000 0.248 425 I C 2.171 177.976 176.117 -0.520 0.000 1.115 425 I CA 1.048 61.740 61.300 -1.014 0.000 1.392 425 I CB -0.409 36.859 38.000 -1.220 0.000 1.065 425 I HN 0.127 nan 8.210 nan 0.000 0.418 426 Y N 2.343 122.360 120.300 -0.471 0.000 2.053 426 Y HA -0.374 4.176 4.550 0.000 0.000 0.277 426 Y C 3.025 178.839 175.900 -0.143 0.000 1.159 426 Y CA 2.391 60.334 58.100 -0.261 0.000 1.125 426 Y CB -0.225 38.118 38.460 -0.194 0.000 0.969 426 Y HN 0.024 nan 8.280 nan 0.000 0.492 427 R N 0.439 120.951 120.500 0.021 0.000 2.117 427 R HA -0.249 4.091 4.340 0.000 0.000 0.243 427 R C 2.064 178.349 176.300 -0.025 0.000 1.143 427 R CA 2.237 58.375 56.100 0.063 0.000 0.968 427 R CB -0.534 29.860 30.300 0.158 0.000 0.863 427 R HN 0.522 nan 8.270 nan 0.000 0.444 428 E N 0.473 120.599 120.200 -0.124 0.000 2.076 428 E HA -0.101 4.249 4.350 0.000 0.000 0.190 428 E C 2.001 178.493 176.600 -0.180 0.000 0.979 428 E CA 1.029 57.366 56.400 -0.106 0.000 0.807 428 E CB -0.066 29.592 29.700 -0.070 0.000 0.761 428 E HN 0.525 nan 8.360 nan 0.000 0.454 429 I N -0.269 120.083 120.570 -0.363 0.000 2.830 429 I HA -0.126 4.044 4.170 0.000 0.000 0.263 429 I C 0.220 176.038 176.117 -0.498 0.000 1.230 429 I CA 1.253 62.269 61.300 -0.473 0.000 1.480 429 I CB -0.143 37.434 38.000 -0.705 0.000 1.095 429 I HN -0.012 nan 8.210 nan 0.000 0.455 430 F N 2.221 122.091 119.950 -0.134 0.000 2.750 430 F HA 0.531 5.058 4.527 -0.000 0.000 0.297 430 F C 1.330 177.091 175.800 -0.065 0.000 1.138 430 F CA -0.678 57.254 58.000 -0.113 0.000 1.346 430 F CB -0.762 38.097 39.000 -0.236 0.000 0.965 430 F HN -0.003 nan 8.300 nan 0.000 0.514 431 A N -0.411 122.451 122.820 0.070 0.000 2.366 431 A HA 0.331 4.651 4.320 0.000 0.000 0.250 431 A C 1.533 179.158 177.584 0.070 0.000 1.099 431 A CA 0.763 52.837 52.037 0.062 0.000 0.794 431 A CB -0.243 18.775 19.000 0.030 0.000 1.056 431 A HN 0.524 nan 8.150 nan 0.000 0.499 432 T N -1.014 113.574 114.554 0.056 0.000 4.093 432 T HA -0.179 4.171 4.350 0.000 0.000 0.334 432 T C 0.552 175.283 174.700 0.052 0.000 0.773 432 T CA 2.111 64.240 62.100 0.048 0.000 1.900 432 T CB -1.500 67.392 68.868 0.040 0.000 1.911 432 T HN 1.306 nan 8.240 nan 0.000 0.844 433 T N -0.405 114.187 114.554 0.062 0.000 3.641 433 T HA 0.492 4.842 4.350 0.000 0.000 0.313 433 T C 1.206 175.928 174.700 0.035 0.000 0.952 433 T CA 0.342 62.467 62.100 0.043 0.000 1.004 433 T CB -0.080 68.818 68.868 0.049 0.000 1.209 433 T HN 1.315 nan 8.240 nan 0.000 0.493 434 G N 1.226 110.056 108.800 0.050 0.000 2.200 434 G HA2 -0.122 3.838 3.960 0.000 0.000 0.267 434 G HA3 -0.122 3.838 3.960 0.000 0.000 0.267 434 G C 1.048 176.003 174.900 0.092 0.000 0.993 434 G CA 0.831 45.968 45.100 0.062 0.000 0.701 434 G HN 1.552 nan 8.290 nan 0.000 0.524 435 G N -3.288 105.576 108.800 0.108 0.000 2.168 435 G HA2 0.237 4.197 3.960 0.000 0.000 0.197 435 G HA3 0.237 4.197 3.960 0.000 0.000 0.197 435 G C 0.531 175.518 174.900 0.144 0.000 0.997 435 G CA 0.952 46.141 45.100 0.149 0.000 0.658 435 G HN 2.316 nan 8.290 nan 0.000 0.513 436 V N -3.735 116.201 119.914 0.037 0.000 3.188 436 V HA 0.917 5.037 4.120 0.000 0.000 0.305 436 V C -2.752 173.011 176.094 -0.553 0.000 1.232 436 V CA -2.252 59.949 62.300 -0.165 0.000 1.043 436 V CB 2.201 34.009 31.823 -0.025 0.000 1.068 436 V HN 0.100 nan 8.190 nan 0.000 0.439 437 P HA 0.280 nan 4.420 nan 0.000 0.266 437 P C -0.238 176.833 177.300 -0.382 0.000 1.586 437 P CA 0.024 62.582 63.100 -0.904 0.000 1.088 437 P CB 0.866 31.958 31.700 -1.014 0.000 1.584 438 V N 6.931 126.699 119.914 -0.244 0.000 2.572 438 V HA 0.077 4.197 4.120 0.000 0.000 0.291 438 V C -1.807 174.222 176.094 -0.109 0.000 1.039 438 V CA -1.470 60.746 62.300 -0.140 0.000 1.055 438 V CB 0.177 31.948 31.823 -0.086 0.000 0.969 438 V HN 0.383 nan 8.190 nan 0.000 0.482 439 P HA 0.109 nan 4.420 nan 0.000 0.260 439 P C -0.922 176.356 177.300 -0.036 0.000 1.185 439 P CA 0.415 63.483 63.100 -0.053 0.000 0.763 439 P CB 0.386 32.064 31.700 -0.036 0.000 0.776 440 D N 1.104 121.486 120.400 -0.030 0.000 3.831 440 D HA 0.086 4.726 4.640 0.000 0.000 0.327 440 D C 0.215 176.509 176.300 -0.010 0.000 1.505 440 D CA -0.189 53.802 54.000 -0.015 0.000 0.976 440 D CB -0.472 40.322 40.800 -0.011 0.000 1.421 440 D HN 0.073 nan 8.370 nan 0.000 0.624 441 D N -1.580 118.819 120.400 -0.002 0.000 2.234 441 D HA 0.108 4.748 4.640 0.000 0.000 0.205 441 D C 1.503 177.804 176.300 0.001 0.000 0.962 441 D CA 0.867 54.868 54.000 0.002 0.000 0.855 441 D CB 0.329 41.133 40.800 0.007 0.000 0.951 441 D HN 0.186 nan 8.370 nan 0.000 0.500 442 R N -0.986 119.516 120.500 0.004 0.000 2.282 442 R HA 0.153 4.493 4.340 0.000 0.000 0.195 442 R C 0.465 176.757 176.300 -0.013 0.000 0.909 442 R CA 0.444 56.546 56.100 0.004 0.000 1.039 442 R CB 0.857 31.175 30.300 0.030 0.000 1.015 442 R HN 0.159 nan 8.270 nan 0.000 0.513 443 T N -2.565 111.975 114.554 -0.024 0.000 2.887 443 T HA 0.292 4.642 4.350 0.000 0.000 0.292 443 T C -0.000 174.679 174.700 -0.035 0.000 1.087 443 T CA -0.758 61.317 62.100 -0.042 0.000 1.009 443 T CB 2.660 71.468 68.868 -0.100 0.000 1.203 443 T HN -0.147 nan 8.240 nan 0.000 0.518 444 E N 0.199 120.391 120.200 -0.012 0.000 2.734 444 E HA 0.370 4.720 4.350 0.000 0.000 0.211 444 E C 0.893 177.503 176.600 0.016 0.000 0.991 444 E CA 0.221 56.603 56.400 -0.030 0.000 1.065 444 E CB 0.603 30.235 29.700 -0.113 0.000 1.047 444 E HN 1.141 nan 8.360 nan 0.000 0.470 445 G N 0.904 109.705 108.800 0.002 0.000 2.466 445 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 445 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 445 G C 0.020 174.955 174.900 0.058 0.000 1.237 445 G CA -0.066 45.022 45.100 -0.019 0.000 0.954 445 G HN 0.213 nan 8.290 nan 0.000 0.580 446 T N -1.656 112.929 114.554 0.052 0.000 2.654 446 T HA 0.652 5.002 4.350 0.000 0.000 0.289 446 T C -1.915 172.987 174.700 0.336 0.000 1.062 446 T CA 0.272 62.428 62.100 0.094 0.000 1.041 446 T CB 1.527 70.392 68.868 -0.006 0.000 1.417 446 T HN 1.549 nan 8.240 nan 0.000 0.510 447 F N 3.443 123.506 119.950 0.189 0.000 2.460 447 F HA 0.409 4.936 4.527 0.000 0.000 0.341 447 F C 1.277 177.293 175.800 0.360 0.000 1.130 447 F CA -2.119 56.002 58.000 0.202 0.000 0.962 447 F CB 0.707 39.528 39.000 -0.299 0.000 1.171 447 F HN 0.548 nan 8.300 nan 0.000 0.436 448 I N 1.994 122.628 120.570 0.108 0.000 2.623 448 I HA -0.234 3.936 4.170 0.000 0.000 0.261 448 I C 0.659 176.560 176.117 -0.359 0.000 1.204 448 I CA 1.400 62.518 61.300 -0.303 0.000 1.444 448 I CB -0.421 37.368 38.000 -0.352 0.000 1.094 448 I HN 0.450 nan 8.210 nan 0.000 0.451 449 N N 0.693 118.891 118.700 -0.836 0.000 2.521 449 N HA -0.011 4.729 4.740 0.000 0.000 0.188 449 N C -0.104 175.399 175.510 -0.011 0.000 1.146 449 N CA 0.662 53.321 53.050 -0.651 0.000 0.893 449 N CB -0.252 37.549 38.487 -1.145 0.000 0.975 449 N HN 0.637 nan 8.380 nan 0.000 0.451 450 Y N 0.922 121.281 120.300 0.099 0.000 2.726 450 Y HA 0.278 4.828 4.550 0.000 0.000 0.367 450 Y C -2.079 174.056 175.900 0.391 0.000 1.038 450 Y CA -2.290 56.069 58.100 0.431 0.000 1.174 450 Y CB 0.829 39.605 38.460 0.526 0.000 1.265 450 Y HN -0.082 nan 8.280 nan 0.000 0.622 451 P HA 0.033 nan 4.420 nan 0.000 0.271 451 P C -0.655 176.818 177.300 0.288 0.000 1.216 451 P CA 0.219 63.506 63.100 0.310 0.000 0.776 451 P CB 1.689 33.491 31.700 0.169 0.000 0.881 452 D N 2.161 122.746 120.400 0.308 0.000 2.319 452 D HA 0.047 4.687 4.640 0.000 0.000 0.237 452 D C 0.196 176.592 176.300 0.160 0.000 1.353 452 D CA -0.501 53.596 54.000 0.163 0.000 0.992 452 D CB 0.985 41.832 40.800 0.078 0.000 1.368 452 D HN -0.082 nan 8.370 nan 0.000 0.564 453 V N 3.012 122.997 119.914 0.118 0.000 3.380 453 V HA -0.055 4.066 4.120 0.000 0.000 0.268 453 V C 1.025 177.170 176.094 0.084 0.000 1.168 453 V CA 1.064 63.431 62.300 0.110 0.000 1.156 453 V CB -0.007 31.897 31.823 0.135 0.000 0.785 453 V HN 0.447 nan 8.190 nan 0.000 0.487 454 D N -0.053 120.376 120.400 0.049 0.000 2.310 454 D HA -0.084 4.556 4.640 0.000 0.000 0.212 454 D C 1.915 178.278 176.300 0.106 0.000 0.965 454 D CA 0.898 54.928 54.000 0.048 0.000 0.879 454 D CB -0.035 40.688 40.800 -0.129 0.000 0.921 454 D HN 0.393 nan 8.370 nan 0.000 0.510 455 L N 0.046 121.335 121.223 0.110 0.000 2.456 455 L HA -0.048 4.292 4.340 0.000 0.000 0.224 455 L C 1.002 177.975 176.870 0.172 0.000 1.148 455 L CA 0.421 55.351 54.840 0.150 0.000 0.825 455 L CB 0.271 42.448 42.059 0.196 0.000 0.937 455 L HN -0.117 nan 8.230 nan 0.000 0.450 456 V N -1.364 118.630 119.914 0.134 0.000 2.933 456 V HA 0.180 4.300 4.120 0.000 0.000 0.374 456 V C -0.368 175.797 176.094 0.120 0.000 1.321 456 V CA -0.165 62.206 62.300 0.118 0.000 1.290 456 V CB 0.057 31.899 31.823 0.032 0.000 1.346 456 V HN 0.109 nan 8.190 nan 0.000 0.560 457 D N 0.698 121.192 120.400 0.157 0.000 2.440 457 D HA 0.268 4.908 4.640 0.000 0.000 0.239 457 D C 0.855 177.263 176.300 0.181 0.000 1.084 457 D CA -0.244 53.869 54.000 0.189 0.000 0.843 457 D CB 1.992 42.977 40.800 0.309 0.000 1.097 457 D HN 0.322 nan 8.370 nan 0.000 0.531 458 E N 1.866 122.136 120.200 0.117 0.000 2.152 458 E HA -0.047 4.303 4.350 0.000 0.000 0.192 458 E C 0.650 177.283 176.600 0.055 0.000 0.983 458 E CA 0.563 57.014 56.400 0.085 0.000 0.818 458 E CB 0.415 30.148 29.700 0.055 0.000 0.758 458 E HN 0.245 nan 8.360 nan 0.000 0.467 459 R N -0.612 119.894 120.500 0.010 0.000 3.732 459 R HA 0.070 4.410 4.340 0.000 0.000 0.258 459 R C -0.165 175.938 176.300 -0.327 0.000 1.661 459 R CA 0.183 56.196 56.100 -0.145 0.000 1.424 459 R CB -0.020 30.165 30.300 -0.191 0.000 1.308 459 R HN 0.270 nan 8.270 nan 0.000 0.634 460 W N -1.918 119.405 121.300 0.038 0.000 4.537 460 W HA 0.158 4.818 4.660 0.000 0.000 0.163 460 W C 0.368 176.921 176.519 0.057 0.000 3.464 460 W CA -0.373 56.998 57.345 0.044 0.000 1.218 460 W CB 0.336 29.825 29.460 0.048 0.000 2.065 460 W HN -0.015 nan 8.180 nan 0.000 0.428 461 N N -0.605 118.331 118.700 0.394 0.000 3.512 461 N HA 0.275 5.015 4.740 0.000 0.000 0.360 461 N C -0.921 174.690 175.510 0.169 0.000 1.593 461 N CA 0.941 54.146 53.050 0.259 0.000 0.672 461 N CB 0.040 38.685 38.487 0.262 0.000 2.105 461 N HN 0.002 nan 8.380 nan 0.000 0.645 462 T N -0.777 113.854 114.554 0.127 0.000 3.580 462 T HA -0.142 4.208 4.350 0.000 0.000 0.402 462 T C -0.543 174.191 174.700 0.057 0.000 0.765 462 T CA 0.260 62.405 62.100 0.076 0.000 2.064 462 T CB -2.025 66.897 68.868 0.091 0.000 1.724 462 T HN 0.342 nan 8.240 nan 0.000 0.719 463 S N 1.404 117.132 115.700 0.046 0.000 2.415 463 S HA 0.574 5.044 4.470 0.000 0.000 0.313 463 S C 1.514 176.123 174.600 0.015 0.000 1.067 463 S CA 0.456 58.678 58.200 0.036 0.000 1.099 463 S CB 0.809 64.034 63.200 0.042 0.000 0.991 463 S HN 1.458 nan 8.310 nan 0.000 0.491 464 G N 2.694 111.499 108.800 0.009 0.000 2.349 464 G HA2 -0.220 3.740 3.960 0.000 0.000 0.213 464 G HA3 -0.220 3.740 3.960 0.000 0.000 0.213 464 G C -0.084 174.801 174.900 -0.026 0.000 1.044 464 G CA -0.129 44.970 45.100 -0.002 0.000 0.633 464 G HN 0.684 nan 8.290 nan 0.000 0.506 465 V N 3.927 123.813 119.914 -0.046 0.000 2.435 465 V HA 0.621 4.741 4.120 0.000 0.000 0.290 465 V C -1.589 174.409 176.094 -0.160 0.000 1.030 465 V CA -1.421 60.819 62.300 -0.101 0.000 0.881 465 V CB 1.717 33.482 31.823 -0.097 0.000 0.983 465 V HN 0.313 nan 8.190 nan 0.000 0.445 466 P HA 0.065 nan 4.420 nan 0.000 0.274 466 P C 0.904 177.905 177.300 -0.499 0.000 1.246 466 P CA -0.444 62.359 63.100 -0.494 0.000 0.795 466 P CB 0.622 31.658 31.700 -1.105 0.000 1.006 467 W N 2.180 123.281 121.300 -0.332 0.000 2.342 467 W HA -0.246 4.414 4.660 0.000 0.000 0.297 467 W C 1.701 178.178 176.519 -0.071 0.000 1.213 467 W CA 1.365 58.638 57.345 -0.119 0.000 1.251 467 W CB -2.134 27.367 29.460 0.069 0.000 1.136 467 W HN 0.450 nan 8.180 nan 0.000 0.526 468 Y N 1.105 120.636 120.300 -1.282 0.000 2.314 468 Y HA 0.033 4.583 4.550 -0.000 0.000 0.293 468 Y C 2.495 178.067 175.900 -0.547 0.000 1.129 468 Y CA 1.682 58.943 58.100 -1.399 0.000 1.201 468 Y CB -1.487 35.432 38.460 -2.568 0.000 0.999 468 Y HN -0.234 nan 8.280 nan 0.000 0.541 469 T N 1.673 116.023 114.554 -0.340 0.000 2.951 469 T HA 0.004 4.354 4.350 0.000 0.000 0.268 469 T C 1.795 176.441 174.700 -0.091 0.000 1.073 469 T CA 1.116 63.168 62.100 -0.079 0.000 1.134 469 T CB -0.325 68.475 68.868 -0.114 0.000 0.884 469 T HN 0.335 nan 8.240 nan 0.000 0.479 470 L N -0.687 120.430 121.223 -0.177 0.000 2.056 470 L HA -0.055 4.285 4.340 0.000 0.000 0.207 470 L C 2.162 178.905 176.870 -0.212 0.000 1.078 470 L CA 1.581 56.297 54.840 -0.206 0.000 0.749 470 L CB -0.517 41.376 42.059 -0.276 0.000 0.901 470 L HN 0.318 nan 8.230 nan 0.000 0.433 471 Y N -2.427 117.808 120.300 -0.109 0.000 2.301 471 Y HA -0.080 4.470 4.550 0.000 0.000 0.295 471 Y C 1.701 177.442 175.900 -0.266 0.000 1.119 471 Y CA 0.736 58.700 58.100 -0.226 0.000 1.162 471 Y CB 0.178 38.354 38.460 -0.474 0.000 1.046 471 Y HN -0.003 nan 8.280 nan 0.000 0.538 472 Y N -0.579 119.853 120.300 0.220 0.000 2.481 472 Y HA 0.197 4.747 4.550 -0.000 0.000 0.247 472 Y C 0.969 176.952 175.900 0.138 0.000 1.151 472 Y CA -1.098 57.114 58.100 0.187 0.000 1.238 472 Y CB -0.002 38.603 38.460 0.243 0.000 1.179 472 Y HN -0.136 nan 8.280 nan 0.000 0.524 473 K N -0.542 119.980 120.400 0.204 0.000 1.824 473 K HA -0.292 4.028 4.320 0.000 0.000 0.120 473 K C 1.520 178.233 176.600 0.188 0.000 1.268 473 K CA 1.455 57.827 56.287 0.142 0.000 0.420 473 K CB -1.533 31.022 32.500 0.092 0.000 0.586 473 K HN 0.427 nan 8.250 nan 0.000 0.907 474 G N 0.927 109.821 108.800 0.157 0.000 2.920 474 G HA2 -0.076 3.884 3.960 0.000 0.000 0.208 474 G HA3 -0.076 3.884 3.960 0.000 0.000 0.208 474 G C 0.822 175.831 174.900 0.181 0.000 1.159 474 G CA 0.365 45.556 45.100 0.152 0.000 0.784 474 G HN 0.340 nan 8.290 nan 0.000 0.535 475 N N -0.472 118.370 118.700 0.238 0.000 2.336 475 N HA 0.029 4.769 4.740 0.000 0.000 0.189 475 N C 1.156 176.803 175.510 0.229 0.000 1.113 475 N CA -0.212 53.003 53.050 0.274 0.000 0.858 475 N CB -0.060 38.619 38.487 0.321 0.000 0.970 475 N HN 0.551 nan 8.380 nan 0.000 0.471 476 Y N 2.319 122.662 120.300 0.073 0.000 2.163 476 Y HA -0.023 4.527 4.550 -0.000 0.000 0.288 476 Y C -0.800 175.038 175.900 -0.102 0.000 1.136 476 Y CA 1.243 59.302 58.100 -0.068 0.000 1.147 476 Y CB -0.756 37.672 38.460 -0.054 0.000 0.987 476 Y HN 0.036 nan 8.280 nan 0.000 0.509 477 P HA -0.257 nan 4.420 nan 0.000 0.216 477 P C 1.134 178.326 177.300 -0.179 0.000 1.154 477 P CA 2.449 65.426 63.100 -0.204 0.000 0.865 477 P CB -0.181 31.481 31.700 -0.064 0.000 0.789 478 R N -0.365 120.087 120.500 -0.081 0.000 2.115 478 R HA -0.032 4.308 4.340 0.000 0.000 0.226 478 R C 2.162 178.459 176.300 -0.005 0.000 1.100 478 R CA 0.936 56.997 56.100 -0.065 0.000 0.980 478 R CB -0.873 29.368 30.300 -0.098 0.000 0.875 478 R HN 0.143 nan 8.270 nan 0.000 0.445 479 L N 0.767 121.988 121.223 -0.002 0.000 2.083 479 L HA -0.195 4.145 4.340 0.000 0.000 0.209 479 L C 2.579 179.396 176.870 -0.088 0.000 1.083 479 L CA 1.525 56.349 54.840 -0.026 0.000 0.752 479 L CB -0.360 41.576 42.059 -0.205 0.000 0.899 479 L HN 0.349 nan 8.230 nan 0.000 0.433 480 Q N -0.227 119.383 119.800 -0.316 0.000 2.170 480 Q HA -0.235 4.105 4.340 0.000 0.000 0.203 480 Q C 2.159 178.099 176.000 -0.099 0.000 0.976 480 Q CA 1.338 56.972 55.803 -0.282 0.000 0.858 480 Q CB -0.017 28.442 28.738 -0.466 0.000 0.907 480 Q HN 0.505 nan 8.270 nan 0.000 0.433 481 K N -0.118 120.232 120.400 -0.083 0.000 2.057 481 K HA -0.091 4.229 4.320 0.000 0.000 0.206 481 K C 2.057 178.674 176.600 0.029 0.000 1.050 481 K CA 1.291 57.551 56.287 -0.044 0.000 0.935 481 K CB 0.028 32.489 32.500 -0.064 0.000 0.715 481 K HN 0.025 nan 8.250 nan 0.000 0.439 482 V N 1.840 121.807 119.914 0.087 0.000 2.515 482 V HA -0.225 3.895 4.120 0.000 0.000 0.250 482 V C 2.268 178.543 176.094 0.301 0.000 1.058 482 V CA 1.675 64.110 62.300 0.226 0.000 1.064 482 V CB -0.434 31.400 31.823 0.018 0.000 0.675 482 V HN 0.278 nan 8.190 nan 0.000 0.461 483 K N 1.742 122.323 120.400 0.302 0.000 2.026 483 K HA -0.119 4.201 4.320 0.000 0.000 0.208 483 K C 2.033 178.766 176.600 0.222 0.000 1.048 483 K CA 1.961 58.475 56.287 0.378 0.000 0.929 483 K CB -0.602 32.059 32.500 0.269 0.000 0.713 483 K HN 0.357 nan 8.250 nan 0.000 0.439 484 A N 0.746 123.632 122.820 0.110 0.000 1.897 484 A HA -0.040 4.280 4.320 0.000 0.000 0.215 484 A C 2.134 179.723 177.584 0.009 0.000 1.181 484 A CA 1.284 53.348 52.037 0.046 0.000 0.620 484 A CB -0.414 18.584 19.000 -0.004 0.000 0.821 484 A HN 0.350 nan 8.150 nan 0.000 0.443 485 R N -1.684 118.794 120.500 -0.038 0.000 2.073 485 R HA -0.121 4.220 4.340 0.000 0.000 0.234 485 R C 1.818 177.963 176.300 -0.258 0.000 1.134 485 R CA 1.553 57.502 56.100 -0.251 0.000 0.952 485 R CB -0.195 29.820 30.300 -0.476 0.000 0.850 485 R HN 0.734 nan 8.270 nan 0.000 0.433 486 W N -0.528 120.812 121.300 0.066 0.000 3.107 486 W HA 0.105 4.765 4.660 -0.000 0.000 0.293 486 W C 0.183 176.786 176.519 0.140 0.000 1.239 486 W CA -0.142 57.260 57.345 0.094 0.000 1.653 486 W CB 0.447 29.966 29.460 0.098 0.000 1.068 486 W HN -0.024 nan 8.180 nan 0.000 0.615 487 D N -0.386 120.211 120.400 0.328 0.000 2.886 487 D HA 0.195 4.835 4.640 0.000 0.000 0.355 487 D C -1.876 174.510 176.300 0.143 0.000 1.274 487 D CA -1.948 52.210 54.000 0.264 0.000 0.836 487 D CB 0.534 41.529 40.800 0.325 0.000 1.109 487 D HN -0.173 nan 8.370 nan 0.000 0.488 488 P HA -0.024 nan 4.420 nan 0.000 0.222 488 P C 0.849 178.165 177.300 0.027 0.000 1.147 488 P CA 0.702 63.825 63.100 0.039 0.000 0.790 488 P CB 0.255 31.960 31.700 0.007 0.000 0.780 489 R N -0.839 119.677 120.500 0.026 0.000 2.359 489 R HA 0.073 4.413 4.340 0.000 0.000 0.231 489 R C -0.018 176.272 176.300 -0.017 0.000 0.913 489 R CA -0.037 56.063 56.100 -0.001 0.000 1.075 489 R CB -0.621 29.671 30.300 -0.014 0.000 1.087 489 R HN -0.005 nan 8.270 nan 0.000 0.515 490 D N 0.424 120.829 120.400 0.008 0.000 2.735 490 D HA -0.132 4.508 4.640 0.000 0.000 0.235 490 D C 0.493 176.742 176.300 -0.084 0.000 1.175 490 D CA 0.255 54.253 54.000 -0.004 0.000 0.683 490 D CB -0.752 40.047 40.800 -0.002 0.000 1.008 490 D HN 0.015 nan 8.370 nan 0.000 0.416 491 V N -0.105 119.699 119.914 -0.184 0.000 2.591 491 V HA 0.034 4.154 4.120 0.000 0.000 0.249 491 V C 1.204 176.878 176.094 -0.701 0.000 1.053 491 V CA 1.132 63.143 62.300 -0.481 0.000 1.068 491 V CB -0.262 31.128 31.823 -0.721 0.000 0.689 491 V HN 0.344 nan 8.190 nan 0.000 0.462 492 F N 1.265 121.221 119.950 0.010 0.000 2.308 492 F HA 0.652 5.179 4.527 0.000 0.000 0.370 492 F C 0.344 176.117 175.800 -0.045 0.000 1.100 492 F CA -0.324 57.674 58.000 -0.003 0.000 1.108 492 F CB 0.611 39.611 39.000 -0.000 0.000 1.293 492 F HN -0.088 nan 8.300 nan 0.000 0.478 493 R N 3.289 123.828 120.500 0.066 0.000 2.799 493 R HA 0.589 4.929 4.340 0.000 0.000 0.270 493 R C -1.324 174.963 176.300 -0.022 0.000 1.010 493 R CA -0.626 55.440 56.100 -0.057 0.000 0.916 493 R CB 2.079 32.327 30.300 -0.087 0.000 1.228 493 R HN 0.818 nan 8.270 nan 0.000 0.469 494 H N -0.633 118.292 119.070 -0.240 0.000 2.887 494 H HA 0.318 4.874 4.556 0.000 0.000 0.290 494 H C -0.487 174.504 175.328 -0.562 0.000 1.429 494 H CA -0.145 55.645 56.048 -0.430 0.000 1.137 494 H CB 1.107 30.472 29.762 -0.661 0.000 1.824 494 H HN 0.595 nan 8.280 nan 0.000 0.520 495 A N 0.453 122.898 122.820 -0.626 0.000 1.883 495 A HA -0.063 4.257 4.320 0.000 0.000 0.217 495 A C 1.292 178.484 177.584 -0.653 0.000 1.186 495 A CA 1.752 53.495 52.037 -0.491 0.000 0.624 495 A CB -0.374 18.502 19.000 -0.207 0.000 0.822 495 A HN 0.256 nan 8.150 nan 0.000 0.444 496 L N 0.600 121.364 121.223 -0.765 0.000 3.036 496 L HA 0.358 4.698 4.340 0.000 0.000 0.237 496 L C 0.420 176.840 176.870 -0.749 0.000 1.319 496 L CA 0.011 54.328 54.840 -0.870 0.000 1.112 496 L CB -0.582 41.203 42.059 -0.456 0.000 1.480 496 L HN 0.148 nan 8.230 nan 0.000 0.506 497 S N -0.308 114.918 115.700 -0.791 0.000 2.525 497 S HA 0.419 4.889 4.470 0.000 0.000 0.278 497 S C 0.133 174.773 174.600 0.066 0.000 1.234 497 S CA -0.639 57.215 58.200 -0.577 0.000 1.058 497 S CB 1.280 63.985 63.200 -0.825 0.000 0.983 497 S HN 0.217 nan 8.310 nan 0.000 0.495 498 V N 4.849 124.888 119.914 0.207 0.000 2.557 498 V HA 0.378 4.498 4.120 0.000 0.000 0.301 498 V C 0.072 176.273 176.094 0.178 0.000 1.026 498 V CA -0.196 62.312 62.300 0.347 0.000 1.137 498 V CB -0.077 31.828 31.823 0.136 0.000 0.917 498 V HN 0.683 nan 8.190 nan 0.000 0.484 499 R N 5.736 126.388 120.500 0.254 0.000 2.474 499 R HA 0.565 4.905 4.340 0.000 0.000 0.295 499 R C -2.597 173.719 176.300 0.026 0.000 0.980 499 R CA -2.265 53.917 56.100 0.136 0.000 0.934 499 R CB 1.477 31.900 30.300 0.203 0.000 1.101 499 R HN 0.585 nan 8.270 nan 0.000 0.469 500 P HA 0.215 nan 4.420 nan 0.000 0.274 500 P C -2.317 174.965 177.300 -0.030 0.000 1.231 500 P CA -1.230 61.861 63.100 -0.015 0.000 0.790 500 P CB -0.202 31.506 31.700 0.013 0.000 0.951 501 P HA 0.000 nan 4.420 nan 0.000 0.216 501 P CA 0.000 63.069 63.100 -0.051 0.000 0.800 501 P CB 0.000 31.657 31.700 -0.071 0.000 0.726