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_D 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 0.000 177.384 177.584 -0.334 0.000 1.274 10 A CA 0.000 51.806 52.037 -0.385 0.000 0.836 10 A CB 0.000 18.676 19.000 -0.541 0.000 0.831 11 L N 1.069 122.220 121.223 -0.120 0.000 2.479 11 L HA 0.303 4.643 4.340 0.000 0.000 0.270 11 L C 1.227 178.211 176.870 0.189 0.000 1.236 11 L CA -0.221 54.642 54.840 0.037 0.000 0.823 11 L CB 0.565 42.646 42.059 0.036 0.000 1.098 11 L HN 0.822 nan 8.230 nan 0.000 0.500 12 V N 2.112 122.155 119.914 0.215 0.000 2.763 12 V HA 0.059 4.179 4.120 0.000 0.000 0.306 12 V C 0.069 176.309 176.094 0.244 0.000 1.059 12 V CA -0.105 62.351 62.300 0.260 0.000 1.138 12 V CB 0.455 32.382 31.823 0.173 0.000 0.940 12 V HN 0.603 nan 8.190 nan 0.000 0.489 13 K N 4.945 125.503 120.400 0.263 0.000 2.221 13 K HA 0.636 4.956 4.320 0.000 0.000 0.258 13 K C -1.351 175.336 176.600 0.145 0.000 0.944 13 K CA -0.673 55.731 56.287 0.194 0.000 0.823 13 K CB 2.153 34.776 32.500 0.205 0.000 1.113 13 K HN 0.620 nan 8.250 nan 0.000 0.431 14 V N 2.778 122.739 119.914 0.078 0.000 2.376 14 V HA 0.129 4.249 4.120 0.000 0.000 0.287 14 V C -0.564 175.492 176.094 -0.063 0.000 1.015 14 V CA -0.786 61.486 62.300 -0.047 0.000 0.834 14 V CB 1.557 33.380 31.823 -0.001 0.000 1.001 14 V HN 0.685 nan 8.190 nan 0.000 0.428 15 D N 4.614 124.956 120.400 -0.096 0.000 2.427 15 D HA 0.394 5.034 4.640 0.000 0.000 0.226 15 D C 0.511 176.830 176.300 0.031 0.000 1.076 15 D CA -0.404 53.596 54.000 -0.001 0.000 0.849 15 D CB 1.635 42.462 40.800 0.044 0.000 1.052 15 D HN 0.631 nan 8.370 nan 0.000 0.515 16 R N 1.833 122.334 120.500 0.002 0.000 2.107 16 R HA 0.115 4.455 4.340 0.000 0.000 0.195 16 R C 1.507 177.686 176.300 -0.202 0.000 1.214 16 R CA 0.262 56.333 56.100 -0.048 0.000 1.129 16 R CB -0.471 29.782 30.300 -0.079 0.000 1.045 16 R HN 0.162 nan 8.270 nan 0.000 0.489 17 V N -0.399 119.414 119.914 -0.169 0.000 3.159 17 V HA 0.296 4.416 4.120 0.000 0.000 0.333 17 V C -0.289 175.746 176.094 -0.099 0.000 1.424 17 V CA -0.517 61.642 62.300 -0.236 0.000 1.125 17 V CB -0.379 31.330 31.823 -0.190 0.000 1.075 17 V HN 0.269 nan 8.190 nan 0.000 0.482 18 D N 0.925 121.308 120.400 -0.028 0.000 2.346 18 D HA 0.058 4.698 4.640 0.000 0.000 0.236 18 D C 1.489 177.820 176.300 0.051 0.000 1.259 18 D CA 0.206 54.219 54.000 0.022 0.000 0.898 18 D CB 0.754 41.582 40.800 0.047 0.000 1.178 18 D HN 0.220 nan 8.370 nan 0.000 0.457 19 R N 0.583 121.110 120.500 0.045 0.000 2.152 19 R HA -0.066 4.274 4.340 0.000 0.000 0.232 19 R C 1.820 178.162 176.300 0.070 0.000 1.117 19 R CA 0.989 57.118 56.100 0.049 0.000 0.981 19 R CB -0.068 30.253 30.300 0.034 0.000 0.870 19 R HN 0.433 nan 8.270 nan 0.000 0.451 20 R N -1.057 119.491 120.500 0.080 0.000 2.300 20 R HA -0.005 4.335 4.340 0.000 0.000 0.199 20 R C 1.515 177.868 176.300 0.089 0.000 0.920 20 R CA 0.122 56.264 56.100 0.070 0.000 1.046 20 R CB -0.115 30.217 30.300 0.053 0.000 0.984 20 R HN 0.227 nan 8.270 nan 0.000 0.493 21 Y N 1.965 122.262 120.300 -0.005 0.000 2.053 21 Y HA -0.367 4.183 4.550 0.000 0.000 0.277 21 Y C 2.358 178.257 175.900 -0.003 0.000 1.159 21 Y CA 1.767 59.862 58.100 -0.009 0.000 1.125 21 Y CB 0.080 38.532 38.460 -0.013 0.000 0.969 21 Y HN -0.040 nan 8.280 nan 0.000 0.492 22 Q N 0.567 120.426 119.800 0.100 0.000 2.135 22 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 22 Q C 1.927 177.880 176.000 -0.077 0.000 0.981 22 Q CA 1.838 57.638 55.803 -0.004 0.000 0.856 22 Q CB -0.673 28.109 28.738 0.074 0.000 0.902 22 Q HN 0.617 nan 8.270 nan 0.000 0.425 23 D N -0.602 119.774 120.400 -0.040 0.000 2.144 23 D HA -0.136 4.504 4.640 0.000 0.000 0.199 23 D C 1.746 178.002 176.300 -0.072 0.000 0.984 23 D CA 0.682 54.659 54.000 -0.039 0.000 0.834 23 D CB 0.264 41.057 40.800 -0.011 0.000 0.955 23 D HN 0.157 nan 8.370 nan 0.000 0.465 24 L N 0.229 121.381 121.223 -0.120 0.000 2.109 24 L HA -0.058 4.282 4.340 0.000 0.000 0.207 24 L C 2.250 179.017 176.870 -0.171 0.000 1.086 24 L CA 0.851 55.612 54.840 -0.132 0.000 0.760 24 L CB -0.765 41.209 42.059 -0.141 0.000 0.910 24 L HN -0.076 nan 8.230 nan 0.000 0.437 25 V N -0.705 119.041 119.914 -0.280 0.000 3.623 25 V HA -0.023 4.097 4.120 0.000 0.000 0.271 25 V C 1.684 177.712 176.094 -0.111 0.000 1.248 25 V CA 1.256 63.422 62.300 -0.222 0.000 1.156 25 V CB -0.495 31.119 31.823 -0.349 0.000 0.870 25 V HN 0.691 nan 8.190 nan 0.000 0.453 26 T N -3.948 110.552 114.554 -0.090 0.000 3.134 26 T HA 0.202 4.552 4.350 0.000 0.000 0.260 26 T C 1.527 176.209 174.700 -0.031 0.000 1.027 26 T CA -0.125 61.945 62.100 -0.050 0.000 0.913 26 T CB -0.156 68.684 68.868 -0.046 0.000 1.046 26 T HN 0.409 nan 8.240 nan 0.000 0.553 27 R N 1.104 121.588 120.500 -0.026 0.000 2.189 27 R HA 0.177 4.517 4.340 0.000 0.000 0.218 27 R C 1.562 177.872 176.300 0.016 0.000 1.074 27 R CA 0.416 56.514 56.100 -0.002 0.000 0.991 27 R CB -0.478 29.822 30.300 0.000 0.000 0.883 27 R HN 0.534 nan 8.270 nan 0.000 0.457 28 G N 0.733 109.545 108.800 0.020 0.000 2.138 28 G HA2 -0.170 3.790 3.960 0.000 0.000 0.244 28 G HA3 -0.170 3.790 3.960 0.000 0.000 0.244 28 G C 0.349 175.277 174.900 0.047 0.000 1.166 28 G CA -0.115 45.015 45.100 0.050 0.000 0.902 28 G HN 0.353 nan 8.290 nan 0.000 0.460 29 F N 2.695 122.558 119.950 -0.145 0.000 2.259 29 F HA 0.059 4.586 4.527 0.000 0.000 0.298 29 F C 1.080 176.827 175.800 -0.088 0.000 1.088 29 F CA 0.142 58.008 58.000 -0.224 0.000 1.358 29 F CB -0.078 38.557 39.000 -0.609 0.000 1.040 29 F HN 0.453 nan 8.300 nan 0.000 0.505 30 N N 0.526 119.049 118.700 -0.295 0.000 2.420 30 N HA 0.205 4.945 4.740 0.000 0.000 0.262 30 N C 1.243 176.614 175.510 -0.231 0.000 1.144 30 N CA 0.344 53.191 53.050 -0.338 0.000 0.952 30 N CB 1.049 39.602 38.487 0.111 0.000 1.081 30 N HN 0.389 nan 8.380 nan 0.000 0.480 31 G N 2.781 111.370 108.800 -0.352 0.000 2.509 31 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 31 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 31 G C 1.366 176.059 174.900 -0.344 0.000 1.124 31 G CA 0.358 45.278 45.100 -0.301 0.000 0.776 31 G HN 0.612 nan 8.290 nan 0.000 0.547 32 R N -0.862 119.318 120.500 -0.533 0.000 2.148 32 R HA 0.043 4.383 4.340 0.000 0.000 0.227 32 R C -0.213 175.679 176.300 -0.680 0.000 1.103 32 R CA 0.424 56.088 56.100 -0.727 0.000 0.983 32 R CB -0.086 29.520 30.300 -1.156 0.000 0.874 32 R HN 0.348 nan 8.270 nan 0.000 0.451 33 F N 1.052 120.955 119.950 -0.078 0.000 2.375 33 F HA 0.421 4.948 4.527 0.000 0.000 0.361 33 F C 0.092 175.871 175.800 -0.035 0.000 1.117 33 F CA -0.957 57.022 58.000 -0.035 0.000 1.037 33 F CB 1.142 40.129 39.000 -0.022 0.000 1.192 33 F HN -0.347 nan 8.300 nan 0.000 0.452 34 R N 2.053 122.630 120.500 0.127 0.000 2.502 34 R HA 0.532 4.872 4.340 0.000 0.000 0.300 34 R C 0.089 176.435 176.300 0.078 0.000 0.984 34 R CA -0.736 55.404 56.100 0.066 0.000 0.882 34 R CB 1.793 32.102 30.300 0.016 0.000 1.180 34 R HN 0.795 nan 8.270 nan 0.000 0.444 35 G N 1.004 109.841 108.800 0.061 0.000 2.547 35 G HA2 0.419 4.379 3.960 0.000 0.000 0.291 35 G HA3 0.419 4.379 3.960 0.000 0.000 0.291 35 G C -0.204 174.736 174.900 0.067 0.000 1.211 35 G CA -0.631 44.509 45.100 0.066 0.000 0.950 35 G HN 0.395 nan 8.290 nan 0.000 0.504 36 R N 0.931 121.488 120.500 0.094 0.000 2.782 36 R HA 0.222 4.562 4.340 0.000 0.000 0.293 36 R C -2.408 173.993 176.300 0.169 0.000 1.333 36 R CA -1.065 55.125 56.100 0.150 0.000 1.479 36 R CB 1.499 31.871 30.300 0.121 0.000 1.306 36 R HN 0.438 nan 8.270 nan 0.000 0.654 37 P HA 0.097 nan 4.420 nan 0.000 0.274 37 P C -0.262 177.152 177.300 0.190 0.000 1.246 37 P CA -0.195 62.992 63.100 0.145 0.000 0.795 37 P CB 1.233 32.993 31.700 0.100 0.000 1.006 38 D N -0.878 119.586 120.400 0.107 0.000 2.213 38 D HA 0.038 4.678 4.640 0.000 0.000 0.205 38 D C 0.352 176.684 176.300 0.053 0.000 0.961 38 D CA 1.038 55.076 54.000 0.063 0.000 0.853 38 D CB 0.454 41.273 40.800 0.032 0.000 0.967 38 D HN 0.063 nan 8.370 nan 0.000 0.496 39 V N 0.337 120.273 119.914 0.038 0.000 3.012 39 V HA 0.339 4.459 4.120 0.000 0.000 0.307 39 V C -1.480 174.547 176.094 -0.111 0.000 1.166 39 V CA -0.711 61.544 62.300 -0.076 0.000 0.974 39 V CB 2.562 34.211 31.823 -0.290 0.000 1.040 39 V HN -0.260 nan 8.190 nan 0.000 0.428 40 V N 6.142 125.977 119.914 -0.132 0.000 2.459 40 V HA 0.517 4.637 4.120 0.000 0.000 0.295 40 V C -1.219 174.756 176.094 -0.198 0.000 1.029 40 V CA -0.602 61.632 62.300 -0.110 0.000 0.874 40 V CB 1.624 33.415 31.823 -0.054 0.000 0.985 40 V HN 0.798 nan 8.190 nan 0.000 0.438 41 Y N 2.970 123.286 120.300 0.027 0.000 2.385 41 Y HA 0.452 5.002 4.550 0.000 0.000 0.341 41 Y C 0.236 176.121 175.900 -0.026 0.000 0.965 41 Y CA -0.658 57.450 58.100 0.014 0.000 1.180 41 Y CB 1.670 40.141 38.460 0.017 0.000 1.139 41 Y HN 0.381 nan 8.280 nan 0.000 0.502 42 V N 6.106 126.067 119.914 0.079 0.000 2.356 42 V HA 0.199 4.319 4.120 0.000 0.000 0.258 42 V C 0.063 175.979 176.094 -0.297 0.000 1.065 42 V CA -0.734 61.526 62.300 -0.068 0.000 0.935 42 V CB 0.063 31.869 31.823 -0.029 0.000 1.061 42 V HN 0.579 nan 8.190 nan 0.000 0.484 43 V N 2.276 122.006 119.914 -0.308 0.000 2.644 43 V HA 0.540 4.660 4.120 0.000 0.000 0.295 43 V C 0.379 176.158 176.094 -0.526 0.000 1.053 43 V CA -0.122 61.985 62.300 -0.321 0.000 0.987 43 V CB 1.073 32.836 31.823 -0.100 0.000 1.006 43 V HN 0.842 nan 8.190 nan 0.000 0.472 44 H N 1.060 120.157 119.070 0.045 0.000 3.457 44 H HA 0.341 4.897 4.556 0.000 0.000 0.255 44 H C 0.679 176.027 175.328 0.034 0.000 1.082 44 H CA 0.721 56.792 56.048 0.039 0.000 1.189 44 H CB 1.015 30.800 29.762 0.039 0.000 1.511 44 H HN 0.971 nan 8.280 nan 0.000 0.527 45 T N -3.020 111.604 114.554 0.116 0.000 2.868 45 T HA 0.598 4.948 4.350 0.000 0.000 0.306 45 T C 1.099 175.823 174.700 0.039 0.000 1.224 45 T CA -0.354 61.791 62.100 0.076 0.000 1.012 45 T CB 1.767 70.682 68.868 0.078 0.000 1.221 45 T HN 0.033 nan 8.240 nan 0.000 0.499 46 A N 0.839 123.676 122.820 0.028 0.000 1.948 46 A HA -0.072 4.248 4.320 0.000 0.000 0.220 46 A C 1.848 179.441 177.584 0.016 0.000 1.177 46 A CA 2.025 54.069 52.037 0.012 0.000 0.636 46 A CB -1.035 17.973 19.000 0.013 0.000 0.815 46 A HN 0.884 nan 8.150 nan 0.000 0.449 47 D N -0.768 119.648 120.400 0.027 0.000 2.224 47 D HA -0.094 4.546 4.640 0.000 0.000 0.205 47 D C 2.146 178.457 176.300 0.018 0.000 0.965 47 D CA 1.004 55.017 54.000 0.023 0.000 0.852 47 D CB -0.290 40.527 40.800 0.028 0.000 0.947 47 D HN 0.622 nan 8.370 nan 0.000 0.494 48 Q N 0.128 119.946 119.800 0.029 0.000 2.124 48 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 48 Q C 2.309 178.299 176.000 -0.018 0.000 0.977 48 Q CA 0.720 56.538 55.803 0.026 0.000 0.850 48 Q CB 0.178 28.957 28.738 0.068 0.000 0.901 48 Q HN 0.139 nan 8.270 nan 0.000 0.429 49 V N 0.048 119.952 119.914 -0.017 0.000 2.343 49 V HA -0.221 3.899 4.120 0.000 0.000 0.247 49 V C 2.195 178.271 176.094 -0.031 0.000 1.051 49 V CA 1.283 63.566 62.300 -0.029 0.000 1.036 49 V CB -0.366 31.449 31.823 -0.013 0.000 0.654 49 V HN 0.190 nan 8.190 nan 0.000 0.451 50 V N 0.432 120.338 119.914 -0.012 0.000 2.332 50 V HA -0.291 3.829 4.120 0.000 0.000 0.248 50 V C 2.371 178.443 176.094 -0.036 0.000 1.055 50 V CA 2.458 64.755 62.300 -0.005 0.000 1.038 50 V CB -0.574 31.254 31.823 0.009 0.000 0.651 50 V HN 0.626 nan 8.190 nan 0.000 0.450 51 D N -0.240 120.128 120.400 -0.054 0.000 2.149 51 D HA -0.057 4.583 4.640 0.000 0.000 0.201 51 D C 2.131 178.315 176.300 -0.193 0.000 0.972 51 D CA 1.401 55.354 54.000 -0.079 0.000 0.835 51 D CB -0.002 40.773 40.800 -0.041 0.000 0.966 51 D HN 0.368 nan 8.370 nan 0.000 0.476 52 A N 0.048 122.686 122.820 -0.304 0.000 1.897 52 A HA -0.061 4.259 4.320 0.000 0.000 0.215 52 A C 2.546 179.849 177.584 -0.468 0.000 1.181 52 A CA 1.365 52.967 52.037 -0.724 0.000 0.620 52 A CB -0.773 17.714 19.000 -0.855 0.000 0.821 52 A HN 0.170 nan 8.150 nan 0.000 0.443 53 V N 1.154 120.943 119.914 -0.209 0.000 2.332 53 V HA -0.282 3.838 4.120 0.000 0.000 0.248 53 V C 2.331 178.369 176.094 -0.092 0.000 1.055 53 V CA 2.218 64.461 62.300 -0.094 0.000 1.038 53 V CB -0.971 30.864 31.823 0.021 0.000 0.651 53 V HN 0.544 nan 8.190 nan 0.000 0.450 54 N N -0.153 118.496 118.700 -0.084 0.000 2.142 54 N HA -0.145 4.595 4.740 0.000 0.000 0.186 54 N C 1.959 177.433 175.510 -0.059 0.000 1.023 54 N CA 1.282 54.298 53.050 -0.056 0.000 0.852 54 N CB -0.275 38.191 38.487 -0.034 0.000 0.998 54 N HN 0.594 nan 8.380 nan 0.000 0.424 55 Q N 0.252 119.994 119.800 -0.096 0.000 2.119 55 Q HA 0.031 4.371 4.340 0.000 0.000 0.201 55 Q C 2.035 178.045 176.000 0.016 0.000 0.972 55 Q CA 1.296 57.079 55.803 -0.033 0.000 0.847 55 Q CB -0.139 28.587 28.738 -0.020 0.000 0.903 55 Q HN 0.359 nan 8.270 nan 0.000 0.433 56 A N 0.983 123.789 122.820 -0.024 0.000 1.940 56 A HA -0.184 4.136 4.320 0.000 0.000 0.219 56 A C 2.062 179.654 177.584 0.014 0.000 1.176 56 A CA 1.406 53.477 52.037 0.057 0.000 0.631 56 A CB -0.453 18.577 19.000 0.050 0.000 0.814 56 A HN 0.282 nan 8.150 nan 0.000 0.446 57 M N -0.829 118.757 119.600 -0.025 0.000 2.200 57 M HA -0.061 4.419 4.480 0.000 0.000 0.265 57 M C 2.471 178.765 176.300 -0.010 0.000 1.066 57 M CA 1.184 56.465 55.300 -0.032 0.000 1.127 57 M CB -0.356 32.214 32.600 -0.050 0.000 1.379 57 M HN 0.454 nan 8.290 nan 0.000 0.420 58 A N 0.265 123.085 122.820 -0.001 0.000 2.070 58 A HA 0.044 4.365 4.320 0.000 0.000 0.220 58 A C 2.020 179.615 177.584 0.017 0.000 1.159 58 A CA 1.801 53.843 52.037 0.008 0.000 0.656 58 A CB -0.557 18.451 19.000 0.013 0.000 0.800 58 A HN 0.508 nan 8.150 nan 0.000 0.453 59 A N -2.056 120.781 122.820 0.028 0.000 2.470 59 A HA 0.474 4.794 4.320 0.000 0.000 0.251 59 A C 1.478 179.077 177.584 0.026 0.000 1.245 59 A CA 0.889 52.946 52.037 0.033 0.000 0.932 59 A CB -0.685 18.348 19.000 0.054 0.000 1.037 59 A HN 1.802 nan 8.150 nan 0.000 0.522 60 G N 0.016 108.824 108.800 0.015 0.000 2.221 60 G HA2 -0.267 3.693 3.960 0.000 0.000 0.265 60 G HA3 -0.267 3.693 3.960 0.000 0.000 0.265 60 G C -0.096 174.810 174.900 0.010 0.000 1.041 60 G CA 0.400 45.502 45.100 0.005 0.000 0.807 60 G HN 0.653 nan 8.290 nan 0.000 0.502 61 Q N -0.497 119.317 119.800 0.022 0.000 2.294 61 Q HA 0.360 4.700 4.340 0.000 0.000 0.257 61 Q C 0.774 176.785 176.000 0.019 0.000 0.955 61 Q CA -0.561 55.264 55.803 0.037 0.000 0.936 61 Q CB 1.073 29.859 28.738 0.079 0.000 1.188 61 Q HN 0.447 nan 8.270 nan 0.000 0.420 62 R N 3.646 124.155 120.500 0.015 0.000 2.370 62 R HA 0.183 4.523 4.340 0.000 0.000 0.309 62 R C -0.750 175.563 176.300 0.021 0.000 1.059 62 R CA 0.014 56.113 56.100 -0.002 0.000 0.981 62 R CB 0.290 30.591 30.300 0.003 0.000 0.972 62 R HN 0.595 nan 8.270 nan 0.000 0.437 63 I N 3.092 123.661 120.570 -0.001 0.000 2.566 63 I HA 0.423 4.593 4.170 0.000 0.000 0.303 63 I C -0.085 176.081 176.117 0.082 0.000 0.983 63 I CA -0.412 60.914 61.300 0.043 0.000 1.235 63 I CB 1.884 39.884 38.000 0.001 0.000 1.386 63 I HN 0.739 nan 8.210 nan 0.000 0.494 64 A N 4.998 127.890 122.820 0.120 0.000 2.486 64 A HA 0.740 5.061 4.320 0.000 0.000 0.300 64 A C -1.155 176.515 177.584 0.142 0.000 1.048 64 A CA -0.529 51.595 52.037 0.145 0.000 0.696 64 A CB 1.553 20.635 19.000 0.137 0.000 1.278 64 A HN 0.366 nan 8.150 nan 0.000 0.405 65 V N 1.522 121.521 119.914 0.143 0.000 2.407 65 V HA 0.640 4.760 4.120 0.000 0.000 0.278 65 V C 0.366 176.513 176.094 0.088 0.000 1.037 65 V CA -0.569 61.793 62.300 0.105 0.000 0.900 65 V CB 1.095 32.959 31.823 0.069 0.000 0.983 65 V HN 0.893 nan 8.190 nan 0.000 0.459 66 R N 2.710 123.251 120.500 0.067 0.000 2.534 66 R HA 0.627 4.967 4.340 0.000 0.000 0.301 66 R C -0.132 176.192 176.300 0.039 0.000 0.961 66 R CA -0.205 55.928 56.100 0.055 0.000 0.871 66 R CB 2.290 32.618 30.300 0.047 0.000 1.170 66 R HN 0.842 nan 8.270 nan 0.000 0.446 67 S N 1.722 117.443 115.700 0.036 0.000 3.037 67 S HA 0.168 4.638 4.470 0.000 0.000 0.173 67 S C 1.404 176.018 174.600 0.023 0.000 0.681 67 S CA 0.301 58.517 58.200 0.027 0.000 0.807 67 S CB -0.197 63.022 63.200 0.032 0.000 0.789 67 S HN 0.794 nan 8.310 nan 0.000 0.637 68 G N 0.085 108.894 108.800 0.015 0.000 2.403 68 G HA2 0.329 4.289 3.960 0.000 0.000 0.216 68 G HA3 0.329 4.289 3.960 0.000 0.000 0.216 68 G C 0.973 175.937 174.900 0.107 0.000 1.154 68 G CA 0.830 45.944 45.100 0.023 0.000 0.784 68 G HN 1.222 nan 8.290 nan 0.000 0.538 69 G N -1.078 107.770 108.800 0.080 0.000 2.134 69 G HA2 -0.218 3.742 3.960 0.000 0.000 0.209 69 G HA3 -0.218 3.742 3.960 0.000 0.000 0.209 69 G C 0.563 175.492 174.900 0.048 0.000 0.993 69 G CA 0.398 45.541 45.100 0.071 0.000 0.669 69 G HN 0.592 nan 8.290 nan 0.000 0.519 70 H N -0.797 118.179 119.070 -0.156 0.000 2.520 70 H HA 0.196 4.752 4.556 0.000 0.000 0.284 70 H C 1.387 176.512 175.328 -0.339 0.000 1.037 70 H CA 0.185 55.997 56.048 -0.393 0.000 1.168 70 H CB 0.302 29.612 29.762 -0.753 0.000 1.497 70 H HN 0.424 nan 8.280 nan 0.000 0.547 71 C N 1.649 120.899 119.300 -0.083 0.000 2.601 71 C HA -0.099 4.361 4.460 0.000 0.000 0.405 71 C C 1.852 176.833 174.990 -0.015 0.000 1.441 71 C CA 0.090 59.019 59.018 -0.148 0.000 1.555 71 C CB -2.078 25.577 27.740 -0.141 0.000 2.450 71 C HN 0.511 nan 8.230 nan 0.000 0.614 72 F N 1.725 121.717 119.950 0.071 0.000 2.333 72 F HA -0.056 4.471 4.527 0.000 0.000 0.300 72 F C 2.246 178.053 175.800 0.010 0.000 1.083 72 F CA 0.790 58.918 58.000 0.214 0.000 1.395 72 F CB 0.143 39.316 39.000 0.290 0.000 1.056 72 F HN 0.633 nan 8.300 nan 0.000 0.529 73 E N -0.105 119.942 120.200 -0.255 0.000 2.476 73 E HA 0.127 4.477 4.350 0.000 0.000 0.196 73 E C 1.415 177.213 176.600 -1.336 0.000 1.029 73 E CA 0.431 56.381 56.400 -0.749 0.000 0.896 73 E CB 0.231 29.212 29.700 -1.198 0.000 1.012 73 E HN 0.308 nan 8.360 nan 0.000 0.475 74 G N 1.547 109.842 108.800 -0.841 0.000 2.321 74 G HA2 -0.318 3.642 3.960 0.000 0.000 0.287 74 G HA3 -0.318 3.642 3.960 0.000 0.000 0.287 74 G C 0.781 175.411 174.900 -0.450 0.000 1.018 74 G CA 0.627 45.340 45.100 -0.646 0.000 0.855 74 G HN 0.399 nan 8.290 nan 0.000 0.507 75 F N -0.548 119.195 119.950 -0.344 0.000 2.134 75 F HA -0.164 4.363 4.527 0.000 0.000 0.299 75 F C 2.746 178.476 175.800 -0.116 0.000 1.097 75 F CA 0.970 58.808 58.000 -0.271 0.000 1.264 75 F CB -0.253 38.508 39.000 -0.397 0.000 1.001 75 F HN 0.216 nan 8.300 nan 0.000 0.479 76 V N -0.425 119.565 119.914 0.126 0.000 2.660 76 V HA -0.313 3.807 4.120 0.000 0.000 0.257 76 V C 0.946 177.089 176.094 0.082 0.000 1.088 76 V CA 1.863 64.229 62.300 0.109 0.000 1.106 76 V CB -0.523 31.352 31.823 0.086 0.000 0.686 76 V HN 0.361 nan 8.190 nan 0.000 0.481 77 D N -0.947 119.493 120.400 0.067 0.000 2.402 77 D HA 0.076 4.716 4.640 0.000 0.000 0.216 77 D C 0.631 176.991 176.300 0.101 0.000 1.128 77 D CA -0.089 53.962 54.000 0.084 0.000 0.833 77 D CB 0.124 40.993 40.800 0.116 0.000 0.971 77 D HN 0.455 nan 8.370 nan 0.000 0.503 78 D N 2.067 122.519 120.400 0.087 0.000 2.506 78 D HA -0.054 4.586 4.640 0.000 0.000 0.234 78 D C -1.528 174.823 176.300 0.085 0.000 1.143 78 D CA -0.958 53.095 54.000 0.089 0.000 0.871 78 D CB 1.978 42.818 40.800 0.067 0.000 1.190 78 D HN -0.038 nan 8.370 nan 0.000 0.459 79 P HA 0.030 nan 4.420 nan 0.000 0.234 79 P C 0.463 177.799 177.300 0.061 0.000 1.167 79 P CA 0.487 63.632 63.100 0.075 0.000 0.763 79 P CB 0.174 31.919 31.700 0.074 0.000 0.835 80 A N -0.743 122.108 122.820 0.052 0.000 2.178 80 A HA 0.095 4.415 4.320 0.000 0.000 0.211 80 A C 0.979 178.588 177.584 0.043 0.000 1.157 80 A CA 0.243 52.304 52.037 0.041 0.000 0.780 80 A CB -0.592 18.424 19.000 0.028 0.000 0.828 80 A HN 0.033 nan 8.150 nan 0.000 0.476 81 V N 1.358 121.304 119.914 0.054 0.000 2.508 81 V HA 0.151 4.271 4.120 0.000 0.000 0.281 81 V C 1.089 177.221 176.094 0.064 0.000 1.041 81 V CA -0.012 62.323 62.300 0.059 0.000 1.016 81 V CB 0.892 32.757 31.823 0.070 0.000 0.984 81 V HN 0.413 nan 8.190 nan 0.000 0.478 82 R N 2.921 123.458 120.500 0.062 0.000 2.446 82 R HA 0.480 4.820 4.340 0.000 0.000 0.254 82 R C 0.129 176.478 176.300 0.082 0.000 0.918 82 R CA 0.319 56.459 56.100 0.068 0.000 1.069 82 R CB 1.041 31.373 30.300 0.054 0.000 1.194 82 R HN 0.686 nan 8.270 nan 0.000 0.534 83 A N 0.620 123.497 122.820 0.094 0.000 2.429 83 A HA 0.525 4.845 4.320 0.000 0.000 0.289 83 A C -1.171 176.497 177.584 0.140 0.000 1.043 83 A CA -0.594 51.524 52.037 0.135 0.000 0.722 83 A CB 1.715 20.843 19.000 0.214 0.000 1.243 83 A HN -0.053 nan 8.150 nan 0.000 0.415 84 V N 5.230 125.220 119.914 0.127 0.000 2.495 84 V HA 0.765 4.885 4.120 0.000 0.000 0.298 84 V C -0.497 175.697 176.094 0.166 0.000 1.031 84 V CA -0.841 61.531 62.300 0.119 0.000 0.871 84 V CB 1.391 33.251 31.823 0.062 0.000 0.988 84 V HN 0.977 nan 8.190 nan 0.000 0.432 85 I N 3.190 123.858 120.570 0.163 0.000 2.307 85 I HA 0.562 4.732 4.170 0.000 0.000 0.289 85 I C -0.742 175.425 176.117 0.084 0.000 1.021 85 I CA -0.077 61.315 61.300 0.153 0.000 1.224 85 I CB 1.266 39.341 38.000 0.126 0.000 1.376 85 I HN 0.578 nan 8.210 nan 0.000 0.470 86 D N 7.656 128.091 120.400 0.060 0.000 2.280 86 D HA 0.323 4.963 4.640 0.000 0.000 0.236 86 D C 0.569 176.868 176.300 -0.003 0.000 1.082 86 D CA -0.422 53.592 54.000 0.025 0.000 0.834 86 D CB 1.671 42.478 40.800 0.011 0.000 1.100 86 D HN 0.564 nan 8.370 nan 0.000 0.486 87 M N 2.216 121.817 119.600 0.001 0.000 2.428 87 M HA -0.030 4.450 4.480 0.000 0.000 0.239 87 M C 1.764 178.059 176.300 -0.008 0.000 1.121 87 M CA 0.044 55.336 55.300 -0.012 0.000 1.019 87 M CB -0.249 32.349 32.600 -0.003 0.000 1.485 87 M HN 0.281 nan 8.290 nan 0.000 0.484 88 S N 0.131 115.830 115.700 -0.001 0.000 2.500 88 S HA -0.095 4.375 4.470 0.000 0.000 0.239 88 S C 1.550 176.163 174.600 0.020 0.000 0.989 88 S CA 0.800 59.007 58.200 0.011 0.000 0.951 88 S CB -0.191 63.017 63.200 0.015 0.000 0.759 88 S HN 0.467 nan 8.310 nan 0.000 0.523 89 Q N 0.109 119.918 119.800 0.015 0.000 2.360 89 Q HA 0.339 4.679 4.340 0.000 0.000 0.202 89 Q C -0.217 175.827 176.000 0.074 0.000 0.915 89 Q CA 0.248 56.086 55.803 0.058 0.000 0.943 89 Q CB 0.105 28.898 28.738 0.091 0.000 1.064 89 Q HN 0.665 nan 8.270 nan 0.000 0.511 90 M N 1.104 120.728 119.600 0.040 0.000 2.080 90 M HA 0.271 4.751 4.480 0.000 0.000 0.350 90 M C 0.123 176.453 176.300 0.049 0.000 1.143 90 M CA 0.207 55.538 55.300 0.052 0.000 1.064 90 M CB 0.731 33.348 32.600 0.028 0.000 1.429 90 M HN -0.121 nan 8.290 nan 0.000 0.418 91 R N 1.002 121.542 120.500 0.067 0.000 2.582 91 R HA 0.243 4.583 4.340 0.000 0.000 0.453 91 R C -0.498 175.856 176.300 0.089 0.000 0.969 91 R CA -0.487 55.649 56.100 0.060 0.000 1.113 91 R CB 0.297 30.624 30.300 0.045 0.000 1.507 91 R HN 0.603 nan 8.270 nan 0.000 0.587 92 Q N 1.159 121.034 119.800 0.126 0.000 2.428 92 Q HA 0.229 4.569 4.340 0.000 0.000 0.276 92 Q C -0.371 175.745 176.000 0.194 0.000 1.059 92 Q CA 0.334 56.261 55.803 0.205 0.000 0.923 92 Q CB 1.383 30.304 28.738 0.305 0.000 1.283 92 Q HN -0.039 nan 8.270 nan 0.000 0.447 93 V N 3.280 123.355 119.914 0.267 0.000 2.733 93 V HA 0.665 4.786 4.120 0.000 0.000 0.306 93 V C -0.916 175.440 176.094 0.435 0.000 1.084 93 V CA -0.765 61.662 62.300 0.211 0.000 0.905 93 V CB 0.978 32.912 31.823 0.185 0.000 1.010 93 V HN 0.753 nan 8.190 nan 0.000 0.424 94 F N 2.903 123.029 119.950 0.294 0.000 2.770 94 F HA 0.688 5.216 4.527 0.000 0.000 0.313 94 F C -1.820 174.208 175.800 0.381 0.000 1.154 94 F CA -1.399 56.853 58.000 0.421 0.000 0.923 94 F CB 1.285 40.453 39.000 0.280 0.000 1.301 94 F HN 0.482 nan 8.300 nan 0.000 0.449 95 Y N 1.918 122.500 120.300 0.470 0.000 2.320 95 Y HA 0.571 5.121 4.550 0.000 0.000 0.334 95 Y C -1.079 174.986 175.900 0.274 0.000 1.055 95 Y CA -0.595 57.509 58.100 0.006 0.000 1.143 95 Y CB 1.252 39.491 38.460 -0.370 0.000 1.193 95 Y HN 0.802 nan 8.280 nan 0.000 0.477 96 D N 2.842 122.875 120.400 -0.612 0.000 2.408 96 D HA 0.258 4.898 4.640 0.000 0.000 0.243 96 D C 0.148 175.927 176.300 -0.868 0.000 1.075 96 D CA -0.372 53.421 54.000 -0.345 0.000 0.832 96 D CB 1.659 42.594 40.800 0.224 0.000 1.162 96 D HN 0.553 nan 8.370 nan 0.000 0.515 97 S N 2.037 117.435 115.700 -0.503 0.000 2.383 97 S HA -0.034 4.436 4.470 0.000 0.000 0.227 97 S C 2.134 176.602 174.600 -0.220 0.000 1.026 97 S CA 0.562 58.609 58.200 -0.255 0.000 0.981 97 S CB -0.448 62.762 63.200 0.018 0.000 0.818 97 S HN 0.603 nan 8.310 nan 0.000 0.472 98 G N 2.218 110.901 108.800 -0.195 0.000 2.446 98 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 98 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 98 G C 1.514 176.250 174.900 -0.274 0.000 1.168 98 G CA 0.691 45.683 45.100 -0.180 0.000 0.771 98 G HN 0.383 nan 8.290 nan 0.000 0.551 99 K N -0.421 119.714 120.400 -0.442 0.000 2.305 99 K HA 0.090 4.410 4.320 0.000 0.000 0.199 99 K C 0.992 177.290 176.600 -0.502 0.000 1.047 99 K CA -0.158 55.780 56.287 -0.582 0.000 0.976 99 K CB 0.204 31.985 32.500 -1.199 0.000 0.765 99 K HN 0.241 nan 8.250 nan 0.000 0.474 100 R N 0.214 120.439 120.500 -0.458 0.000 3.267 100 R HA -0.229 4.112 4.340 0.000 0.000 0.254 100 R C -1.105 174.985 176.300 -0.351 0.000 0.993 100 R CA 0.546 56.446 56.100 -0.334 0.000 0.670 100 R CB -1.433 28.733 30.300 -0.224 0.000 1.125 100 R HN 0.297 nan 8.270 nan 0.000 0.434 101 A N 0.266 122.801 122.820 -0.475 0.000 2.601 101 A HA 0.647 4.967 4.320 0.000 0.000 0.291 101 A C -1.268 176.275 177.584 -0.068 0.000 1.075 101 A CA -0.778 51.162 52.037 -0.162 0.000 0.671 101 A CB 0.716 19.700 19.000 -0.028 0.000 1.277 101 A HN 0.143 nan 8.150 nan 0.000 0.417 102 F N 1.104 121.202 119.950 0.246 0.000 2.411 102 F HA 0.561 5.088 4.527 0.000 0.000 0.355 102 F C 1.018 176.792 175.800 -0.043 0.000 1.117 102 F CA 0.300 58.357 58.000 0.095 0.000 1.139 102 F CB 1.606 40.630 39.000 0.039 0.000 1.120 102 F HN 0.706 nan 8.300 nan 0.000 0.493 103 A N 3.762 126.305 122.820 -0.462 0.000 2.320 103 A HA 0.656 4.976 4.320 0.000 0.000 0.287 103 A C -0.637 176.568 177.584 -0.631 0.000 1.181 103 A CA -0.538 50.756 52.037 -1.238 0.000 0.831 103 A CB 0.423 18.083 19.000 -2.234 0.000 1.102 103 A HN 0.828 nan 8.150 nan 0.000 0.513 104 V N 1.118 120.817 119.914 -0.358 0.000 2.577 104 V HA 0.617 4.737 4.120 0.000 0.000 0.303 104 V C -0.540 175.524 176.094 -0.050 0.000 1.042 104 V CA -0.723 61.535 62.300 -0.069 0.000 0.872 104 V CB 1.475 33.408 31.823 0.183 0.000 0.998 104 V HN 0.894 nan 8.190 nan 0.000 0.423 105 E N 6.400 126.586 120.200 -0.023 0.000 2.313 105 E HA 0.372 4.722 4.350 0.000 0.000 0.272 105 E C -1.859 174.774 176.600 0.055 0.000 1.038 105 E CA -1.929 54.464 56.400 -0.012 0.000 0.863 105 E CB 1.872 31.576 29.700 0.008 0.000 1.060 105 E HN 0.636 nan 8.360 nan 0.000 0.402 106 P HA -0.088 nan 4.420 nan 0.000 0.229 106 P C 0.871 178.210 177.300 0.064 0.000 1.160 106 P CA 0.793 63.961 63.100 0.114 0.000 0.777 106 P CB 0.260 31.987 31.700 0.045 0.000 0.814 107 G N -0.241 108.578 108.800 0.032 0.000 2.985 107 G HA2 0.259 4.219 3.960 0.000 0.000 0.209 107 G HA3 0.259 4.219 3.960 0.000 0.000 0.209 107 G C 0.666 175.570 174.900 0.006 0.000 1.165 107 G CA 0.168 45.278 45.100 0.017 0.000 0.776 107 G HN 0.429 nan 8.290 nan 0.000 0.541 108 A N 0.276 123.101 122.820 0.008 0.000 2.409 108 A HA 0.584 4.904 4.320 0.000 0.000 0.262 108 A C 0.580 178.121 177.584 -0.071 0.000 1.113 108 A CA -0.015 52.012 52.037 -0.016 0.000 0.790 108 A CB 0.371 19.369 19.000 -0.002 0.000 1.046 108 A HN 0.103 nan 8.150 nan 0.000 0.496 109 T N 1.700 116.194 114.554 -0.098 0.000 2.868 109 T HA 0.310 4.660 4.350 0.000 0.000 0.292 109 T C 1.720 176.255 174.700 -0.277 0.000 1.028 109 T CA -0.363 61.634 62.100 -0.171 0.000 1.059 109 T CB 0.078 68.870 68.868 -0.127 0.000 0.991 109 T HN 0.458 nan 8.240 nan 0.000 0.531 110 L N 2.316 123.293 121.223 -0.411 0.000 2.046 110 L HA 0.008 4.348 4.340 0.000 0.000 0.208 110 L C 2.871 179.312 176.870 -0.715 0.000 1.077 110 L CA 1.646 56.071 54.840 -0.692 0.000 0.747 110 L CB -1.076 40.520 42.059 -0.773 0.000 0.896 110 L HN 0.853 nan 8.230 nan 0.000 0.432 111 G N -0.090 108.488 108.800 -0.370 0.000 2.440 111 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 111 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 111 G C 1.414 176.249 174.900 -0.109 0.000 1.154 111 G CA 0.683 45.684 45.100 -0.165 0.000 0.767 111 G HN 0.434 nan 8.290 nan 0.000 0.552 112 E N -0.058 120.071 120.200 -0.118 0.000 2.077 112 E HA -0.143 4.207 4.350 0.000 0.000 0.193 112 E C 2.879 179.460 176.600 -0.033 0.000 0.989 112 E CA 1.607 57.978 56.400 -0.049 0.000 0.800 112 E CB -0.252 29.424 29.700 -0.039 0.000 0.746 112 E HN 0.610 nan 8.360 nan 0.000 0.452 113 T N -1.710 112.770 114.554 -0.124 0.000 2.904 113 T HA -0.124 4.226 4.350 0.000 0.000 0.267 113 T C 1.825 176.540 174.700 0.025 0.000 1.059 113 T CA 0.733 62.782 62.100 -0.084 0.000 1.137 113 T CB -0.509 68.244 68.868 -0.191 0.000 0.879 113 T HN 0.270 nan 8.240 nan 0.000 0.467 114 Y N 2.408 122.692 120.300 -0.027 0.000 2.163 114 Y HA -0.102 4.448 4.550 0.000 0.000 0.288 114 Y C 3.071 179.037 175.900 0.110 0.000 1.136 114 Y CA 1.156 59.270 58.100 0.023 0.000 1.147 114 Y CB -0.160 38.253 38.460 -0.078 0.000 0.987 114 Y HN 0.260 nan 8.280 nan 0.000 0.509 115 R N 0.920 121.552 120.500 0.220 0.000 2.092 115 R HA -0.096 4.244 4.340 0.000 0.000 0.231 115 R C 2.255 178.690 176.300 0.225 0.000 1.119 115 R CA 1.272 57.500 56.100 0.212 0.000 0.970 115 R CB -0.787 29.584 30.300 0.119 0.000 0.864 115 R HN 0.167 nan 8.270 nan 0.000 0.440 116 A N 1.550 124.479 122.820 0.182 0.000 1.858 116 A HA -0.086 4.234 4.320 0.000 0.000 0.216 116 A C 2.157 179.912 177.584 0.285 0.000 1.190 116 A CA 1.162 53.319 52.037 0.200 0.000 0.617 116 A CB -0.565 18.553 19.000 0.196 0.000 0.827 116 A HN 0.280 nan 8.150 nan 0.000 0.443 117 L N -1.822 119.570 121.223 0.282 0.000 2.079 117 L HA -0.155 4.185 4.340 0.000 0.000 0.210 117 L C 2.323 179.405 176.870 0.354 0.000 1.081 117 L CA 1.928 56.938 54.840 0.283 0.000 0.752 117 L CB -1.192 40.883 42.059 0.026 0.000 0.896 117 L HN 0.626 nan 8.230 nan 0.000 0.433 118 Y N -0.806 119.605 120.300 0.186 0.000 2.176 118 Y HA -0.101 4.449 4.550 0.000 0.000 0.291 118 Y C 2.314 178.274 175.900 0.101 0.000 1.122 118 Y CA 1.290 59.484 58.100 0.158 0.000 1.128 118 Y CB -0.153 38.472 38.460 0.274 0.000 1.005 118 Y HN 0.026 nan 8.280 nan 0.000 0.509 119 L N -0.088 121.169 121.223 0.056 0.000 2.083 119 L HA -0.205 4.135 4.340 0.000 0.000 0.209 119 L C 1.640 178.372 176.870 -0.230 0.000 1.083 119 L CA 1.698 56.467 54.840 -0.118 0.000 0.752 119 L CB -0.560 41.493 42.059 -0.010 0.000 0.899 119 L HN 0.214 nan 8.230 nan 0.000 0.433 120 D N -1.609 118.624 120.400 -0.278 0.000 2.213 120 D HA -0.099 4.541 4.640 0.000 0.000 0.205 120 D C 1.802 177.625 176.300 -0.794 0.000 0.961 120 D CA 0.967 54.524 54.000 -0.738 0.000 0.853 120 D CB 0.194 40.131 40.800 -1.439 0.000 0.967 120 D HN 0.353 nan 8.370 nan 0.000 0.496 121 W N -0.706 120.586 121.300 -0.012 0.000 2.355 121 W HA 0.302 4.963 4.660 0.000 0.000 0.303 121 W C 0.932 177.400 176.519 -0.086 0.000 0.939 121 W CA 0.296 57.636 57.345 -0.009 0.000 1.377 121 W CB 0.338 29.866 29.460 0.113 0.000 1.048 121 W HN 0.048 nan 8.180 nan 0.000 0.542 122 G N 1.934 110.722 108.800 -0.020 0.000 2.143 122 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 122 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 122 G C -0.323 174.602 174.900 0.041 0.000 0.991 122 G CA 0.549 45.565 45.100 -0.141 0.000 0.689 122 G HN 0.020 nan 8.290 nan 0.000 0.522 123 V N -0.674 119.301 119.914 0.101 0.000 3.113 123 V HA 0.968 5.088 4.120 0.000 0.000 0.316 123 V C 0.451 176.503 176.094 -0.070 0.000 1.125 123 V CA 0.101 62.386 62.300 -0.024 0.000 1.026 123 V CB 2.204 33.997 31.823 -0.049 0.000 1.080 123 V HN 0.466 nan 8.190 nan 0.000 0.444 124 T N 1.651 116.089 114.554 -0.193 0.000 2.754 124 T HA 0.672 5.022 4.350 0.000 0.000 0.296 124 T C -1.020 173.529 174.700 -0.252 0.000 1.205 124 T CA -0.504 61.494 62.100 -0.170 0.000 1.009 124 T CB 1.912 70.668 68.868 -0.187 0.000 1.368 124 T HN 0.813 nan 8.240 nan 0.000 0.509 125 I N -1.010 119.442 120.570 -0.197 0.000 2.608 125 I HA 0.616 4.786 4.170 0.000 0.000 0.295 125 I C -2.779 173.288 176.117 -0.084 0.000 1.049 125 I CA -3.137 58.010 61.300 -0.254 0.000 1.063 125 I CB 2.658 40.401 38.000 -0.428 0.000 1.248 125 I HN 0.279 nan 8.210 nan 0.000 0.424 126 P HA 0.254 nan 4.420 nan 0.000 0.230 126 P C -0.056 177.295 177.300 0.084 0.000 1.791 126 P CA 0.164 63.272 63.100 0.012 0.000 1.020 126 P CB 0.287 32.015 31.700 0.046 0.000 1.977 127 A N 1.995 124.897 122.820 0.136 0.000 2.450 127 A HA 0.737 5.057 4.320 0.000 0.000 0.281 127 A C 0.930 178.571 177.584 0.094 0.000 1.372 127 A CA -0.186 51.965 52.037 0.189 0.000 0.886 127 A CB -0.360 18.712 19.000 0.119 0.000 1.462 127 A HN 0.365 nan 8.150 nan 0.000 0.514 128 G N -2.266 106.505 108.800 -0.049 0.000 2.588 128 G HA2 0.403 4.363 3.960 0.000 0.000 0.278 128 G HA3 0.403 4.363 3.960 0.000 0.000 0.278 128 G C 0.654 175.439 174.900 -0.193 0.000 1.307 128 G CA 0.328 45.292 45.100 -0.227 0.000 1.016 128 G HN 0.767 nan 8.290 nan 0.000 0.503 129 V N -0.844 118.915 119.914 -0.260 0.000 2.725 129 V HA 0.004 4.124 4.120 0.000 0.000 0.247 129 V C 1.117 177.043 176.094 -0.279 0.000 1.058 129 V CA 0.284 62.497 62.300 -0.146 0.000 1.080 129 V CB -0.504 31.341 31.823 0.036 0.000 0.713 129 V HN 0.533 nan 8.190 nan 0.000 0.465 130 C N 2.857 121.772 119.300 -0.641 0.000 2.442 130 C HA 0.282 4.742 4.460 0.000 0.000 0.362 130 C C -0.474 174.230 174.990 -0.477 0.000 1.242 130 C CA -0.687 57.791 59.018 -0.901 0.000 1.741 130 C CB 0.199 27.277 27.740 -1.104 0.000 2.378 130 C HN 0.363 nan 8.230 nan 0.000 0.549 131 P HA -0.145 nan 4.420 nan 0.000 0.218 131 P C 1.497 178.666 177.300 -0.217 0.000 1.149 131 P CA 1.089 64.087 63.100 -0.171 0.000 0.817 131 P CB 0.018 31.700 31.700 -0.030 0.000 0.785 132 Q N -0.174 119.504 119.800 -0.202 0.000 2.444 132 Q HA 0.043 4.383 4.340 0.000 0.000 0.206 132 Q C 0.085 175.888 176.000 -0.327 0.000 0.948 132 Q CA 0.106 55.813 55.803 -0.160 0.000 0.946 132 Q CB 0.031 28.773 28.738 0.007 0.000 1.027 132 Q HN 0.061 nan 8.270 nan 0.000 0.513 133 V N 0.804 120.364 119.914 -0.589 0.000 2.763 133 V HA 0.095 4.215 4.120 0.000 0.000 0.306 133 V C 0.843 176.688 176.094 -0.415 0.000 1.059 133 V CA 0.342 62.201 62.300 -0.735 0.000 1.138 133 V CB 1.067 32.414 31.823 -0.793 0.000 0.940 133 V HN 0.326 nan 8.190 nan 0.000 0.489 134 G N 2.928 111.565 108.800 -0.272 0.000 2.420 134 G HA2 0.394 4.354 3.960 0.000 0.000 0.284 134 G HA3 0.394 4.354 3.960 0.000 0.000 0.284 134 G C 0.886 175.712 174.900 -0.123 0.000 1.177 134 G CA -0.425 44.586 45.100 -0.149 0.000 0.841 134 G HN 0.548 nan 8.290 nan 0.000 0.527 135 V N 2.915 122.781 119.914 -0.080 0.000 2.295 135 V HA -0.150 3.970 4.120 0.000 0.000 0.246 135 V C 3.092 179.250 176.094 0.107 0.000 1.049 135 V CA 2.601 64.890 62.300 -0.019 0.000 1.024 135 V CB -1.016 30.826 31.823 0.031 0.000 0.648 135 V HN 0.852 nan 8.190 nan 0.000 0.447 136 G N -0.190 108.708 108.800 0.163 0.000 2.469 136 G HA2 -0.192 3.768 3.960 0.000 0.000 0.220 136 G HA3 -0.192 3.768 3.960 0.000 0.000 0.220 136 G C 1.448 176.465 174.900 0.196 0.000 1.136 136 G CA 1.104 46.353 45.100 0.248 0.000 0.759 136 G HN 0.634 nan 8.290 nan 0.000 0.562 137 G N -1.483 107.377 108.800 0.101 0.000 2.921 137 G HA2 0.156 4.116 3.960 0.000 0.000 0.213 137 G HA3 0.156 4.116 3.960 0.000 0.000 0.213 137 G C 1.292 176.211 174.900 0.032 0.000 1.143 137 G CA 0.802 45.940 45.100 0.063 0.000 0.764 137 G HN 0.556 nan 8.290 nan 0.000 0.542 138 H N 0.056 119.083 119.070 -0.071 0.000 2.355 138 H HA 0.105 4.661 4.556 0.000 0.000 0.303 138 H C 2.409 177.692 175.328 -0.075 0.000 1.061 138 H CA 1.361 57.344 56.048 -0.108 0.000 1.368 138 H CB 0.196 29.865 29.762 -0.155 0.000 1.412 138 H HN 0.037 nan 8.280 nan 0.000 0.523 139 V N 1.117 120.995 119.914 -0.061 0.000 2.358 139 V HA -0.189 3.931 4.120 0.000 0.000 0.246 139 V C 2.061 178.085 176.094 -0.116 0.000 1.047 139 V CA 1.530 63.723 62.300 -0.178 0.000 1.035 139 V CB -0.630 30.870 31.823 -0.538 0.000 0.658 139 V HN 0.468 nan 8.190 nan 0.000 0.452 140 L N 0.937 122.166 121.223 0.010 0.000 2.551 140 L HA 0.241 4.582 4.340 0.000 0.000 0.228 140 L C 1.937 178.769 176.870 -0.063 0.000 1.153 140 L CA 1.555 56.411 54.840 0.028 0.000 0.851 140 L CB -1.936 40.205 42.059 0.136 0.000 0.959 140 L HN 0.155 nan 8.230 nan 0.000 0.451 141 G N -0.791 107.944 108.800 -0.107 0.000 3.189 141 G HA2 0.373 4.333 3.960 0.000 0.000 0.225 141 G HA3 0.373 4.333 3.960 0.000 0.000 0.225 141 G C 1.029 175.890 174.900 -0.064 0.000 1.159 141 G CA 0.068 45.082 45.100 -0.144 0.000 0.763 141 G HN 0.746 nan 8.290 nan 0.000 0.549 142 G N -0.101 108.675 108.800 -0.040 0.000 2.353 142 G HA2 0.149 4.109 3.960 0.000 0.000 0.294 142 G HA3 0.149 4.109 3.960 0.000 0.000 0.294 142 G C 0.663 175.671 174.900 0.179 0.000 1.077 142 G CA -0.026 45.119 45.100 0.075 0.000 1.098 142 G HN 0.979 nan 8.290 nan 0.000 0.511 143 G N -0.134 108.585 108.800 -0.135 0.000 2.414 143 G HA2 0.591 4.551 3.960 0.000 0.000 0.236 143 G HA3 0.591 4.551 3.960 0.000 0.000 0.236 143 G C 0.030 175.040 174.900 0.182 0.000 1.293 143 G CA 0.417 45.335 45.100 -0.303 0.000 0.869 143 G HN 1.763 nan 8.290 nan 0.000 0.556 144 Y N 0.316 120.699 120.300 0.138 0.000 2.562 144 Y HA 0.848 5.398 4.550 0.000 0.000 0.343 144 Y C 0.228 176.191 175.900 0.105 0.000 1.025 144 Y CA -0.954 57.198 58.100 0.087 0.000 1.082 144 Y CB 1.785 40.255 38.460 0.017 0.000 1.264 144 Y HN 0.868 nan 8.280 nan 0.000 0.478 145 G N 0.767 109.499 108.800 -0.114 0.000 2.706 145 G HA2 0.418 4.378 3.960 0.000 0.000 0.307 145 G HA3 0.418 4.378 3.960 0.000 0.000 0.307 145 G C -2.698 172.089 174.900 -0.188 0.000 1.307 145 G CA -1.518 43.416 45.100 -0.277 0.000 0.790 145 G HN 0.316 nan 8.290 nan 0.000 0.503 146 P HA -0.020 nan 4.420 nan 0.000 0.218 146 P C 1.368 178.618 177.300 -0.083 0.000 1.146 146 P CA 0.978 63.778 63.100 -0.501 0.000 0.820 146 P CB 0.177 31.648 31.700 -0.382 0.000 0.778 147 L N -1.851 119.342 121.223 -0.049 0.000 2.741 147 L HA 0.156 4.496 4.340 0.000 0.000 0.237 147 L C 1.459 178.339 176.870 0.016 0.000 1.178 147 L CA 0.195 55.030 54.840 -0.008 0.000 0.973 147 L CB -0.213 41.819 42.059 -0.044 0.000 1.255 147 L HN -0.083 nan 8.230 nan 0.000 0.498 148 S N -0.411 115.308 115.700 0.031 0.000 2.470 148 S HA 0.015 4.485 4.470 0.000 0.000 0.225 148 S C 1.922 176.513 174.600 -0.015 0.000 1.006 148 S CA 0.490 58.704 58.200 0.023 0.000 0.934 148 S CB 0.038 63.256 63.200 0.029 0.000 0.778 148 S HN 0.408 nan 8.310 nan 0.000 0.517 149 R N 0.789 121.296 120.500 0.012 0.000 2.236 149 R HA 0.192 4.532 4.340 0.000 0.000 0.208 149 R C 2.437 178.755 176.300 0.029 0.000 1.036 149 R CA 0.454 56.562 56.100 0.012 0.000 1.001 149 R CB 0.005 30.349 30.300 0.073 0.000 0.896 149 R HN 0.192 nan 8.270 nan 0.000 0.464 150 R N 0.189 120.709 120.500 0.034 0.000 2.087 150 R HA -0.023 4.317 4.340 0.000 0.000 0.216 150 R C 0.347 176.668 176.300 0.034 0.000 1.114 150 R CA 1.191 57.306 56.100 0.026 0.000 1.002 150 R CB 0.450 30.756 30.300 0.010 0.000 0.903 150 R HN 0.096 nan 8.270 nan 0.000 0.445 151 D N -1.079 119.352 120.400 0.052 0.000 2.500 151 D HA 0.215 4.855 4.640 0.000 0.000 0.217 151 D C 0.593 176.996 176.300 0.172 0.000 1.159 151 D CA 0.761 54.834 54.000 0.122 0.000 0.828 151 D CB 1.437 42.303 40.800 0.110 0.000 1.039 151 D HN 0.430 nan 8.370 nan 0.000 0.512 152 G N 0.574 109.425 108.800 0.085 0.000 2.587 152 G HA2 -0.232 3.728 3.960 0.000 0.000 0.212 152 G HA3 -0.232 3.728 3.960 0.000 0.000 0.212 152 G C -0.266 174.687 174.900 0.089 0.000 1.327 152 G CA -0.414 44.719 45.100 0.055 0.000 0.898 152 G HN 0.091 nan 8.290 nan 0.000 0.551 153 V N 0.248 120.212 119.914 0.084 0.000 2.953 153 V HA 0.341 4.461 4.120 0.000 0.000 0.304 153 V C 2.064 178.268 176.094 0.183 0.000 1.073 153 V CA 0.523 62.898 62.300 0.124 0.000 1.064 153 V CB 1.360 33.245 31.823 0.105 0.000 1.047 153 V HN 1.448 nan 8.190 nan 0.000 0.478 154 V N 3.330 123.359 119.914 0.192 0.000 2.453 154 V HA -0.222 3.898 4.120 0.000 0.000 0.252 154 V C 2.252 178.531 176.094 0.308 0.000 1.068 154 V CA 2.597 65.040 62.300 0.238 0.000 1.070 154 V CB -0.372 31.562 31.823 0.185 0.000 0.664 154 V HN 1.051 nan 8.190 nan 0.000 0.461 155 A N -1.169 121.764 122.820 0.188 0.000 2.206 155 A HA -0.064 4.256 4.320 0.000 0.000 0.211 155 A C 1.632 179.303 177.584 0.145 0.000 1.158 155 A CA 1.086 53.211 52.037 0.146 0.000 0.761 155 A CB -0.441 18.559 19.000 0.001 0.000 0.801 155 A HN 0.594 nan 8.150 nan 0.000 0.473 156 D N -0.454 120.003 120.400 0.095 0.000 2.378 156 D HA -0.038 4.602 4.640 0.000 0.000 0.227 156 D C 0.582 176.722 176.300 -0.267 0.000 1.012 156 D CA 0.778 54.743 54.000 -0.059 0.000 0.905 156 D CB -0.124 40.587 40.800 -0.148 0.000 0.895 156 D HN 0.614 nan 8.370 nan 0.000 0.532 157 H N -0.726 118.515 119.070 0.287 0.000 2.662 157 H HA 0.157 4.714 4.556 0.000 0.000 0.268 157 H C -0.029 175.589 175.328 0.483 0.000 1.152 157 H CA -0.505 55.755 56.048 0.353 0.000 1.072 157 H CB 0.879 30.824 29.762 0.304 0.000 1.660 157 H HN 0.023 nan 8.280 nan 0.000 0.584 158 L N 1.236 122.739 121.223 0.467 0.000 2.278 158 L HA 0.072 4.412 4.340 0.000 0.000 0.287 158 L C 0.836 178.025 176.870 0.531 0.000 1.072 158 L CA -0.041 55.025 54.840 0.376 0.000 0.819 158 L CB 0.382 42.605 42.059 0.273 0.000 1.176 158 L HN 0.127 nan 8.230 nan 0.000 0.435 159 Y N 5.203 125.642 120.300 0.233 0.000 2.389 159 Y HA 0.611 5.161 4.550 0.000 0.000 0.292 159 Y C 0.552 176.433 175.900 -0.031 0.000 1.117 159 Y CA 0.501 58.637 58.100 0.060 0.000 1.195 159 Y CB 0.524 39.016 38.460 0.053 0.000 1.076 159 Y HN 0.661 nan 8.280 nan 0.000 0.548 160 A N -0.104 122.788 122.820 0.119 0.000 2.597 160 A HA 0.596 4.916 4.320 0.000 0.000 0.292 160 A C -2.227 175.488 177.584 0.219 0.000 1.057 160 A CA -0.310 51.744 52.037 0.029 0.000 0.674 160 A CB 1.210 20.122 19.000 -0.146 0.000 1.278 160 A HN 0.119 nan 8.150 nan 0.000 0.416 161 V N 0.549 120.511 119.914 0.080 0.000 2.808 161 V HA 0.601 4.721 4.120 0.000 0.000 0.308 161 V C -1.014 175.004 176.094 -0.127 0.000 1.099 161 V CA -0.391 61.865 62.300 -0.073 0.000 0.920 161 V CB 1.981 33.640 31.823 -0.274 0.000 1.014 161 V HN 0.998 nan 8.190 nan 0.000 0.425 162 E N 3.646 123.763 120.200 -0.138 0.000 2.200 162 E HA 0.656 5.006 4.350 0.000 0.000 0.283 162 E C -1.209 175.250 176.600 -0.236 0.000 1.015 162 E CA -0.271 56.053 56.400 -0.127 0.000 0.819 162 E CB 1.853 31.532 29.700 -0.036 0.000 1.081 162 E HN 0.578 nan 8.360 nan 0.000 0.397 163 V N 2.948 122.739 119.914 -0.205 0.000 2.709 163 V HA 0.329 4.449 4.120 0.000 0.000 0.308 163 V C -0.423 175.608 176.094 -0.106 0.000 1.062 163 V CA -1.095 61.081 62.300 -0.207 0.000 0.901 163 V CB 1.886 33.549 31.823 -0.266 0.000 1.003 163 V HN 0.356 nan 8.190 nan 0.000 0.425 164 V N 4.995 124.857 119.914 -0.086 0.000 2.364 164 V HA 0.550 4.670 4.120 0.000 0.000 0.272 164 V C 0.194 176.310 176.094 0.036 0.000 1.036 164 V CA -0.188 62.108 62.300 -0.006 0.000 0.880 164 V CB 1.426 33.259 31.823 0.017 0.000 0.991 164 V HN 0.820 nan 8.190 nan 0.000 0.460 165 V N 4.044 124.028 119.914 0.116 0.000 3.166 165 V HA 0.841 4.961 4.120 0.000 0.000 0.317 165 V C -0.552 175.700 176.094 0.264 0.000 1.136 165 V CA -0.779 61.659 62.300 0.230 0.000 1.035 165 V CB 2.327 34.302 31.823 0.253 0.000 1.110 165 V HN 0.399 nan 8.190 nan 0.000 0.450 166 V N 1.276 121.370 119.914 0.299 0.000 2.531 166 V HA 0.423 4.543 4.120 0.000 0.000 0.301 166 V C -0.398 175.777 176.094 0.133 0.000 1.034 166 V CA -0.382 62.022 62.300 0.174 0.000 0.865 166 V CB 1.248 33.133 31.823 0.105 0.000 0.995 166 V HN 1.035 nan 8.190 nan 0.000 0.424 167 D N 2.690 123.144 120.400 0.090 0.000 2.443 167 D HA 0.129 4.769 4.640 0.000 0.000 0.234 167 D C 1.213 177.531 176.300 0.031 0.000 1.172 167 D CA 0.829 54.862 54.000 0.054 0.000 0.878 167 D CB 1.431 42.253 40.800 0.036 0.000 1.204 167 D HN 0.683 nan 8.370 nan 0.000 0.453 168 A N 1.608 124.434 122.820 0.010 0.000 2.019 168 A HA -0.175 4.145 4.320 0.000 0.000 0.219 168 A C 2.019 179.603 177.584 -0.001 0.000 1.164 168 A CA 2.027 54.063 52.037 -0.001 0.000 0.644 168 A CB -0.483 18.507 19.000 -0.017 0.000 0.805 168 A HN 0.528 nan 8.150 nan 0.000 0.449 169 S N -1.839 113.862 115.700 0.002 0.000 2.522 169 S HA 0.337 4.808 4.470 0.000 0.000 0.227 169 S C 1.396 175.997 174.600 0.003 0.000 0.986 169 S CA 1.208 59.409 58.200 0.001 0.000 0.929 169 S CB -0.302 62.899 63.200 0.002 0.000 0.769 169 S HN 1.958 nan 8.310 nan 0.000 0.529 170 G N 0.698 109.502 108.800 0.007 0.000 2.134 170 G HA2 -0.197 3.763 3.960 0.000 0.000 0.209 170 G HA3 -0.197 3.763 3.960 0.000 0.000 0.209 170 G C -0.032 174.872 174.900 0.007 0.000 0.993 170 G CA -0.155 44.946 45.100 0.001 0.000 0.669 170 G HN 0.554 nan 8.290 nan 0.000 0.519 171 R N 0.536 121.047 120.500 0.018 0.000 2.312 171 R HA 0.674 5.014 4.340 0.000 0.000 0.311 171 R C 0.507 176.832 176.300 0.041 0.000 1.004 171 R CA 0.287 56.401 56.100 0.023 0.000 0.902 171 R CB 1.182 31.495 30.300 0.022 0.000 1.073 171 R HN 0.493 nan 8.270 nan 0.000 0.457 172 A N 4.432 127.276 122.820 0.039 0.000 2.363 172 A HA 0.484 4.804 4.320 0.000 0.000 0.270 172 A C -0.439 177.179 177.584 0.056 0.000 1.121 172 A CA -0.398 51.676 52.037 0.062 0.000 0.800 172 A CB 0.492 19.523 19.000 0.052 0.000 1.052 172 A HN 0.852 nan 8.150 nan 0.000 0.493 173 R N 1.065 121.608 120.500 0.071 0.000 2.739 173 R HA 0.544 4.884 4.340 0.000 0.000 0.271 173 R C -0.911 175.422 176.300 0.054 0.000 1.010 173 R CA -1.065 55.070 56.100 0.058 0.000 0.897 173 R CB 1.466 31.804 30.300 0.063 0.000 1.236 173 R HN 0.716 nan 8.270 nan 0.000 0.466 174 K N 1.415 121.838 120.400 0.039 0.000 2.172 174 K HA 0.513 4.833 4.320 0.000 0.000 0.276 174 K C -0.440 176.176 176.600 0.027 0.000 1.013 174 K CA -0.630 55.671 56.287 0.023 0.000 0.913 174 K CB 1.547 34.059 32.500 0.019 0.000 1.055 174 K HN 0.530 nan 8.250 nan 0.000 0.461 175 V N 0.196 120.112 119.914 0.004 0.000 2.962 175 V HA 0.654 4.774 4.120 0.000 0.000 0.313 175 V C -1.084 174.981 176.094 -0.047 0.000 1.099 175 V CA -0.941 61.358 62.300 -0.002 0.000 0.971 175 V CB 1.887 33.715 31.823 0.009 0.000 1.028 175 V HN 0.550 nan 8.190 nan 0.000 0.430 176 V N 2.617 122.506 119.914 -0.043 0.000 2.495 176 V HA 0.928 5.048 4.120 0.000 0.000 0.298 176 V C 0.382 176.415 176.094 -0.100 0.000 1.031 176 V CA 0.133 62.393 62.300 -0.067 0.000 0.871 176 V CB 1.482 33.275 31.823 -0.050 0.000 0.988 176 V HN 1.487 nan 8.190 nan 0.000 0.432 177 A N 3.006 125.744 122.820 -0.137 0.000 2.359 177 A HA 0.846 5.166 4.320 0.000 0.000 0.303 177 A C -0.446 177.050 177.584 -0.146 0.000 1.066 177 A CA -0.475 51.480 52.037 -0.137 0.000 0.730 177 A CB 2.005 20.893 19.000 -0.185 0.000 1.211 177 A HN 0.692 nan 8.150 nan 0.000 0.439 178 T N 0.013 114.415 114.554 -0.253 0.000 2.906 178 T HA 0.462 4.812 4.350 0.000 0.000 0.295 178 T C 1.229 175.498 174.700 -0.718 0.000 1.075 178 T CA 0.326 62.094 62.100 -0.553 0.000 1.005 178 T CB 1.387 69.868 68.868 -0.645 0.000 1.136 178 T HN 1.238 nan 8.240 nan 0.000 0.498 179 S N 1.280 116.250 115.700 -1.217 0.000 2.603 179 S HA 0.264 4.734 4.470 0.000 0.000 0.229 179 S C 0.978 175.165 174.600 -0.689 0.000 0.972 179 S CA -0.015 57.337 58.200 -1.413 0.000 0.935 179 S CB -0.483 61.683 63.200 -1.723 0.000 0.769 179 S HN 0.901 nan 8.310 nan 0.000 0.536 180 A N 1.227 123.748 122.820 -0.498 0.000 2.548 180 A HA 0.636 4.956 4.320 0.000 0.000 0.247 180 A C 1.643 179.107 177.584 -0.200 0.000 1.067 180 A CA 0.240 52.111 52.037 -0.277 0.000 0.757 180 A CB -0.372 18.498 19.000 -0.216 0.000 0.996 180 A HN 0.793 nan 8.150 nan 0.000 0.504 181 A N 2.573 125.306 122.820 -0.145 0.000 1.997 181 A HA -0.208 4.112 4.320 0.000 0.000 0.221 181 A C 1.328 178.868 177.584 -0.074 0.000 1.172 181 A CA 2.200 54.180 52.037 -0.094 0.000 0.645 181 A CB -0.501 18.459 19.000 -0.067 0.000 0.813 181 A HN 0.924 nan 8.150 nan 0.000 0.454 182 D N -1.061 119.294 120.400 -0.075 0.000 2.363 182 D HA 0.103 4.743 4.640 0.000 0.000 0.214 182 D C 0.036 176.302 176.300 -0.057 0.000 1.093 182 D CA -0.129 53.838 54.000 -0.056 0.000 0.837 182 D CB -0.226 40.544 40.800 -0.050 0.000 0.948 182 D HN 0.281 nan 8.370 nan 0.000 0.507 183 D N 1.616 121.970 120.400 -0.077 0.000 2.348 183 D HA 0.053 4.693 4.640 0.000 0.000 0.253 183 D C -1.282 175.007 176.300 -0.018 0.000 1.161 183 D CA -1.840 52.119 54.000 -0.069 0.000 0.876 183 D CB 1.842 42.566 40.800 -0.126 0.000 1.160 183 D HN -0.073 nan 8.370 nan 0.000 0.459 184 P HA -0.013 nan 4.420 nan 0.000 0.233 184 P C 0.064 177.452 177.300 0.146 0.000 1.167 184 P CA 0.438 63.572 63.100 0.056 0.000 0.770 184 P CB 0.421 32.149 31.700 0.046 0.000 0.837 185 N N -0.454 118.327 118.700 0.135 0.000 2.238 185 N HA 0.087 4.827 4.740 0.000 0.000 0.222 185 N C 1.483 177.027 175.510 0.056 0.000 1.133 185 N CA -0.133 53.031 53.050 0.189 0.000 0.854 185 N CB -0.270 38.277 38.487 0.099 0.000 1.041 185 N HN 0.138 nan 8.380 nan 0.000 0.510 186 R N 1.047 121.591 120.500 0.074 0.000 2.127 186 R HA -0.064 4.276 4.340 0.000 0.000 0.238 186 R C 1.020 177.460 176.300 0.233 0.000 1.134 186 R CA 1.224 57.392 56.100 0.113 0.000 0.975 186 R CB 0.272 30.602 30.300 0.050 0.000 0.865 186 R HN 0.108 nan 8.270 nan 0.000 0.447 187 E N 0.544 120.842 120.200 0.164 0.000 2.208 187 E HA -0.162 4.188 4.350 0.000 0.000 0.193 187 E C 1.950 178.569 176.600 0.032 0.000 0.988 187 E CA 0.483 56.972 56.400 0.147 0.000 0.828 187 E CB -0.042 29.746 29.700 0.147 0.000 0.763 187 E HN 0.422 nan 8.360 nan 0.000 0.478 188 L N -0.246 120.759 121.223 -0.364 0.000 2.093 188 L HA -0.158 4.182 4.340 0.000 0.000 0.208 188 L C 2.291 179.043 176.870 -0.197 0.000 1.085 188 L CA 1.242 55.656 54.840 -0.710 0.000 0.755 188 L CB -0.305 40.925 42.059 -1.381 0.000 0.904 188 L HN 0.268 nan 8.230 nan 0.000 0.435 189 W N 0.696 121.867 121.300 -0.215 0.000 2.353 189 W HA -0.261 4.399 4.660 0.000 0.000 0.319 189 W C 2.556 179.087 176.519 0.019 0.000 1.207 189 W CA 1.788 59.068 57.345 -0.107 0.000 1.291 189 W CB -0.998 28.394 29.460 -0.112 0.000 1.159 189 W HN 0.376 nan 8.180 nan 0.000 0.478 190 W N 1.948 123.060 121.300 -0.315 0.000 2.290 190 W HA -0.379 4.281 4.660 0.000 0.000 0.318 190 W C 1.879 178.060 176.519 -0.563 0.000 1.248 190 W CA 3.215 60.188 57.345 -0.620 0.000 1.263 190 W CB -1.383 27.969 29.460 -0.181 0.000 1.147 190 W HN 0.121 nan 8.180 nan 0.000 0.494 191 A N 0.330 122.876 122.820 -0.457 0.000 2.024 191 A HA -0.244 4.076 4.320 0.000 0.000 0.220 191 A C 1.416 178.541 177.584 -0.766 0.000 1.164 191 A CA 1.965 53.523 52.037 -0.798 0.000 0.643 191 A CB -1.358 16.949 19.000 -1.155 0.000 0.806 191 A HN 0.596 nan 8.150 nan 0.000 0.451 192 H N -1.824 116.914 119.070 -0.553 0.000 2.533 192 H HA 0.160 4.716 4.556 0.000 0.000 0.271 192 H C 0.858 175.942 175.328 -0.407 0.000 1.000 192 H CA 1.028 56.868 56.048 -0.347 0.000 1.149 192 H CB 0.254 29.871 29.762 -0.242 0.000 1.375 192 H HN 0.301 nan 8.280 nan 0.000 0.582 193 T N 0.495 114.704 114.554 -0.575 0.000 3.242 193 T HA 0.497 4.847 4.350 0.000 0.000 0.253 193 T C 0.139 174.588 174.700 -0.419 0.000 0.946 193 T CA 0.397 62.186 62.100 -0.519 0.000 0.944 193 T CB -0.976 67.436 68.868 -0.760 0.000 1.122 193 T HN 0.667 nan 8.240 nan 0.000 0.546 194 G N -0.742 107.874 108.800 -0.306 0.000 2.357 194 G HA2 0.404 4.364 3.960 0.000 0.000 0.643 194 G HA3 0.404 4.364 3.960 0.000 0.000 0.643 194 G C 0.459 175.255 174.900 -0.174 0.000 1.358 194 G CA 0.056 45.049 45.100 -0.178 0.000 0.986 194 G HN 1.128 nan 8.290 nan 0.000 0.620 195 G N -1.380 107.441 108.800 0.035 0.000 2.179 195 G HA2 0.152 4.113 3.960 0.000 0.000 0.260 195 G HA3 0.152 4.113 3.960 0.000 0.000 0.260 195 G C 1.907 176.860 174.900 0.088 0.000 0.977 195 G CA 1.354 46.513 45.100 0.099 0.000 0.641 195 G HN 2.384 nan 8.290 nan 0.000 0.533 196 G N 0.474 109.280 108.800 0.010 0.000 2.326 196 G HA2 0.476 4.436 3.960 0.000 0.000 0.232 196 G HA3 0.476 4.436 3.960 0.000 0.000 0.232 196 G C 1.416 176.302 174.900 -0.024 0.000 1.559 196 G CA 1.210 46.297 45.100 -0.022 0.000 1.031 196 G HN 1.879 nan 8.290 nan 0.000 0.498 197 G N -1.217 107.583 108.800 -0.001 0.000 2.936 197 G HA2 0.361 4.322 3.960 0.000 0.000 0.316 197 G HA3 0.361 4.322 3.960 0.000 0.000 0.316 197 G C 1.342 176.211 174.900 -0.052 0.000 0.207 197 G CA 0.916 46.044 45.100 0.047 0.000 1.229 197 G HN 2.229 nan 8.290 nan 0.000 0.331 198 G N 1.710 110.389 108.800 -0.203 0.000 2.390 198 G HA2 -0.319 3.641 3.960 0.000 0.000 0.299 198 G HA3 -0.319 3.641 3.960 0.000 0.000 0.299 198 G C 0.901 175.405 174.900 -0.662 0.000 1.002 198 G CA 0.834 45.648 45.100 -0.478 0.000 0.979 198 G HN 0.888 nan 8.290 nan 0.000 0.513 199 N N -0.932 117.411 118.700 -0.594 0.000 2.646 199 N HA 0.166 4.906 4.740 0.000 0.000 0.214 199 N C 1.312 176.407 175.510 -0.692 0.000 1.042 199 N CA 0.855 53.419 53.050 -0.809 0.000 0.925 199 N CB 0.084 37.676 38.487 -1.492 0.000 1.383 199 N HN 0.342 nan 8.380 nan 0.000 0.439 200 F N 0.434 120.264 119.950 -0.200 0.000 2.678 200 F HA 0.511 5.038 4.527 0.000 0.000 0.305 200 F C 1.238 176.867 175.800 -0.285 0.000 1.090 200 F CA -0.106 57.818 58.000 -0.127 0.000 1.272 200 F CB 0.566 39.488 39.000 -0.131 0.000 1.060 200 F HN 0.015 nan 8.300 nan 0.000 0.576 201 G N 0.455 108.769 108.800 -0.810 0.000 2.343 201 G HA2 0.087 4.047 3.960 0.000 0.000 0.465 201 G HA3 0.087 4.047 3.960 0.000 0.000 0.465 201 G C -1.417 172.962 174.900 -0.868 0.000 1.282 201 G CA -1.246 43.049 45.100 -1.342 0.000 0.996 201 G HN -0.021 nan 8.290 nan 0.000 0.521 202 I N 0.840 121.076 120.570 -0.558 0.000 2.312 202 I HA 0.354 4.524 4.170 0.000 0.000 0.290 202 I C 0.719 176.712 176.117 -0.206 0.000 1.008 202 I CA -0.897 60.237 61.300 -0.276 0.000 1.226 202 I CB 1.584 39.508 38.000 -0.126 0.000 1.371 202 I HN 0.317 nan 8.210 nan 0.000 0.468 203 V N 5.700 125.490 119.914 -0.206 0.000 2.485 203 V HA -0.050 4.070 4.120 0.000 0.000 0.287 203 V C 1.259 177.182 176.094 -0.284 0.000 1.022 203 V CA 0.615 62.720 62.300 -0.324 0.000 1.067 203 V CB 1.005 32.535 31.823 -0.489 0.000 0.967 203 V HN 0.903 nan 8.190 nan 0.000 0.479 204 T N 5.424 119.816 114.554 -0.270 0.000 3.022 204 T HA 0.240 4.590 4.350 0.000 0.000 0.250 204 T C 0.566 175.142 174.700 -0.206 0.000 1.060 204 T CA 0.033 62.026 62.100 -0.177 0.000 1.013 204 T CB -0.092 68.714 68.868 -0.103 0.000 0.982 204 T HN 0.663 nan 8.240 nan 0.000 0.508 205 R N -0.124 120.177 120.500 -0.332 0.000 2.633 205 R HA 0.384 4.724 4.340 0.000 0.000 0.255 205 R C -2.183 173.811 176.300 -0.510 0.000 1.106 205 R CA -0.657 55.221 56.100 -0.369 0.000 0.959 205 R CB 0.880 30.995 30.300 -0.309 0.000 1.259 205 R HN 0.207 nan 8.270 nan 0.000 0.453 206 Y N 1.676 121.744 120.300 -0.385 0.000 2.496 206 Y HA 0.548 5.098 4.550 0.000 0.000 0.331 206 Y C -0.617 174.914 175.900 -0.615 0.000 1.140 206 Y CA -0.312 57.535 58.100 -0.422 0.000 1.166 206 Y CB 1.624 39.815 38.460 -0.448 0.000 1.249 206 Y HN 0.441 nan 8.280 nan 0.000 0.479 207 W N 2.393 123.597 121.300 -0.161 0.000 2.683 207 W HA 0.589 5.249 4.660 0.000 0.000 0.329 207 W C -1.764 174.662 176.519 -0.154 0.000 1.037 207 W CA -0.639 56.657 57.345 -0.080 0.000 1.232 207 W CB 1.124 30.624 29.460 0.067 0.000 1.390 207 W HN 0.205 nan 8.180 nan 0.000 0.465 208 F N 3.113 123.322 119.950 0.431 0.000 2.508 208 F HA 0.730 5.257 4.527 0.000 0.000 0.325 208 F C 0.397 176.406 175.800 0.348 0.000 1.090 208 F CA -1.198 57.021 58.000 0.366 0.000 0.945 208 F CB 1.922 41.073 39.000 0.253 0.000 1.156 208 F HN 0.076 nan 8.300 nan 0.000 0.463 209 R N 1.188 121.984 120.500 0.492 0.000 2.808 209 R HA 0.144 4.484 4.340 0.000 0.000 0.254 209 R C -1.477 175.016 176.300 0.322 0.000 1.145 209 R CA -0.398 55.889 56.100 0.310 0.000 1.066 209 R CB 1.911 32.236 30.300 0.042 0.000 1.268 209 R HN 0.748 nan 8.270 nan 0.000 0.447 210 T N 5.498 120.257 114.554 0.342 0.000 2.934 210 T HA 0.046 4.396 4.350 0.000 0.000 0.306 210 T C -1.565 173.245 174.700 0.184 0.000 1.042 210 T CA -0.691 61.638 62.100 0.381 0.000 1.145 210 T CB 0.801 69.889 68.868 0.366 0.000 0.982 210 T HN 0.336 nan 8.240 nan 0.000 0.544 211 P HA -0.097 nan 4.420 nan 0.000 0.217 211 P C 0.837 178.175 177.300 0.063 0.000 1.158 211 P CA 0.863 64.012 63.100 0.082 0.000 0.887 211 P CB -0.191 31.541 31.700 0.054 0.000 0.792 212 G N -0.719 108.121 108.800 0.067 0.000 2.363 212 G HA2 0.204 4.164 3.960 0.000 0.000 0.285 212 G HA3 0.204 4.164 3.960 0.000 0.000 0.285 212 G C 0.906 175.834 174.900 0.046 0.000 1.084 212 G CA 0.441 45.571 45.100 0.051 0.000 1.216 212 G HN 0.301 nan 8.290 nan 0.000 0.429 213 A N 2.882 125.715 122.820 0.021 0.000 2.035 213 A HA 0.324 4.644 4.320 0.000 0.000 0.208 213 A C 1.532 179.109 177.584 -0.012 0.000 1.206 213 A CA 0.474 52.511 52.037 -0.000 0.000 0.773 213 A CB -0.225 18.759 19.000 -0.027 0.000 0.878 213 A HN 0.554 nan 8.150 nan 0.000 0.469 214 T N 1.461 116.010 114.554 -0.009 0.000 2.772 214 T HA 0.331 4.681 4.350 0.000 0.000 0.268 214 T C 0.659 175.348 174.700 -0.018 0.000 1.025 214 T CA 1.587 63.679 62.100 -0.013 0.000 1.139 214 T CB -0.564 68.300 68.868 -0.007 0.000 1.053 214 T HN 1.868 nan 8.240 nan 0.000 0.483 215 G N 2.493 111.279 108.800 -0.022 0.000 2.699 215 G HA2 -0.069 3.891 3.960 0.000 0.000 0.686 215 G HA3 -0.069 3.891 3.960 0.000 0.000 0.686 215 G C 0.513 175.397 174.900 -0.027 0.000 1.301 215 G CA -0.025 45.062 45.100 -0.022 0.000 0.816 215 G HN 1.247 nan 8.290 nan 0.000 0.595 216 T N -2.397 112.145 114.554 -0.020 0.000 3.144 216 T HA 0.283 4.633 4.350 0.000 0.000 0.249 216 T C 0.518 175.187 174.700 -0.051 0.000 1.089 216 T CA 0.957 63.050 62.100 -0.013 0.000 0.989 216 T CB 0.374 69.245 68.868 0.005 0.000 0.992 216 T HN 0.630 nan 8.240 nan 0.000 0.540 217 D N 2.773 123.137 120.400 -0.060 0.000 2.374 217 D HA 0.242 4.882 4.640 0.000 0.000 0.240 217 D C -1.629 174.577 176.300 -0.156 0.000 1.229 217 D CA -2.484 51.471 54.000 -0.076 0.000 0.895 217 D CB 1.728 42.510 40.800 -0.030 0.000 1.046 217 D HN 0.032 nan 8.370 nan 0.000 0.498 218 P HA -0.097 nan 4.420 nan 0.000 0.217 218 P C 1.114 178.313 177.300 -0.168 0.000 1.148 218 P CA 0.811 63.536 63.100 -0.624 0.000 0.828 218 P CB 0.340 31.398 31.700 -1.069 0.000 0.783 219 S N -1.219 114.506 115.700 0.042 0.000 2.515 219 S HA -0.075 4.395 4.470 0.000 0.000 0.231 219 S C 1.355 175.994 174.600 0.065 0.000 0.987 219 S CA 0.861 59.144 58.200 0.138 0.000 0.936 219 S CB -0.481 62.802 63.200 0.139 0.000 0.766 219 S HN 0.283 nan 8.310 nan 0.000 0.528 220 Q N 0.057 119.870 119.800 0.023 0.000 2.186 220 Q HA 0.377 4.717 4.340 0.000 0.000 0.241 220 Q C 0.827 176.844 176.000 0.028 0.000 0.849 220 Q CA -0.082 55.733 55.803 0.019 0.000 1.053 220 Q CB 0.350 29.091 28.738 0.006 0.000 1.146 220 Q HN 0.366 nan 8.270 nan 0.000 0.475 221 L N -0.326 120.928 121.223 0.052 0.000 2.585 221 L HA 0.311 4.651 4.340 0.000 0.000 0.226 221 L C -0.015 176.955 176.870 0.167 0.000 1.113 221 L CA 0.632 55.525 54.840 0.088 0.000 0.876 221 L CB 0.457 42.538 42.059 0.037 0.000 1.072 221 L HN 0.221 nan 8.230 nan 0.000 0.468 222 L N -1.335 119.963 121.223 0.124 0.000 2.469 222 L HA 0.441 4.781 4.340 0.000 0.000 0.256 222 L C -2.519 174.312 176.870 -0.065 0.000 1.006 222 L CA -1.804 53.047 54.840 0.018 0.000 0.832 222 L CB 2.421 44.447 42.059 -0.056 0.000 1.421 222 L HN -0.278 nan 8.230 nan 0.000 0.410 223 P HA 0.093 nan 4.420 nan 0.000 0.268 223 P C -1.284 175.924 177.300 -0.152 0.000 1.208 223 P CA -0.177 62.844 63.100 -0.131 0.000 0.777 223 P CB 0.370 31.968 31.700 -0.170 0.000 0.875 224 K N 1.522 121.843 120.400 -0.131 0.000 2.249 224 K HA 0.505 4.825 4.320 0.000 0.000 0.280 224 K C 0.383 176.821 176.600 -0.270 0.000 1.033 224 K CA -0.573 55.624 56.287 -0.150 0.000 0.946 224 K CB 0.763 33.203 32.500 -0.101 0.000 1.005 224 K HN 0.482 nan 8.250 nan 0.000 0.469 225 A N 4.369 126.966 122.820 -0.371 0.000 2.429 225 A HA 0.236 4.556 4.320 0.000 0.000 0.242 225 A C -2.120 175.066 177.584 -0.663 0.000 1.088 225 A CA -0.940 50.608 52.037 -0.815 0.000 0.784 225 A CB -0.496 17.696 19.000 -1.347 0.000 1.038 225 A HN 0.449 nan 8.150 nan 0.000 0.501 226 P HA 0.246 nan 4.420 nan 0.000 0.274 226 P C 0.812 177.959 177.300 -0.256 0.000 1.237 226 P CA -0.228 62.611 63.100 -0.435 0.000 0.793 226 P CB 0.362 31.869 31.700 -0.321 0.000 0.977 227 T N -0.399 114.098 114.554 -0.095 0.000 2.720 227 T HA -0.045 4.306 4.350 0.000 0.000 0.268 227 T C 0.822 175.561 174.700 0.065 0.000 1.037 227 T CA 1.883 63.980 62.100 -0.005 0.000 1.144 227 T CB -0.295 68.569 68.868 -0.007 0.000 0.864 227 T HN 0.787 nan 8.240 nan 0.000 0.444 228 S N -1.504 114.244 115.700 0.080 0.000 2.643 228 S HA 0.418 4.888 4.470 0.000 0.000 0.266 228 S C -1.335 173.344 174.600 0.133 0.000 1.130 228 S CA -1.133 57.145 58.200 0.131 0.000 0.817 228 S CB 1.770 65.019 63.200 0.081 0.000 1.107 228 S HN -0.020 nan 8.310 nan 0.000 0.471 229 T N 1.891 116.511 114.554 0.111 0.000 2.770 229 T HA 0.587 4.937 4.350 0.000 0.000 0.283 229 T C -0.957 173.765 174.700 0.037 0.000 0.988 229 T CA -0.368 61.783 62.100 0.084 0.000 0.957 229 T CB 0.836 69.742 68.868 0.063 0.000 0.930 229 T HN 0.685 nan 8.240 nan 0.000 0.443 230 L N 4.672 125.906 121.223 0.018 0.000 2.264 230 L HA 0.638 4.978 4.340 0.000 0.000 0.289 230 L C 0.001 176.849 176.870 -0.036 0.000 1.044 230 L CA -0.205 54.623 54.840 -0.020 0.000 0.807 230 L CB 0.511 42.538 42.059 -0.054 0.000 1.192 230 L HN 0.524 nan 8.230 nan 0.000 0.425 231 R N 3.486 123.976 120.500 -0.017 0.000 2.740 231 R HA 0.492 4.832 4.340 0.000 0.000 0.282 231 R C -1.272 175.077 176.300 0.082 0.000 0.969 231 R CA -0.721 55.393 56.100 0.023 0.000 0.918 231 R CB 1.166 31.503 30.300 0.062 0.000 1.175 231 R HN 0.838 nan 8.270 nan 0.000 0.464 232 H N 3.385 122.483 119.070 0.048 0.000 2.589 232 H HA 0.340 4.896 4.556 0.000 0.000 0.335 232 H C -0.836 174.498 175.328 0.010 0.000 1.019 232 H CA -0.715 55.346 56.048 0.021 0.000 1.213 232 H CB 1.968 31.746 29.762 0.027 0.000 1.472 232 H HN 0.378 nan 8.280 nan 0.000 0.508 233 I N 5.615 126.239 120.570 0.091 0.000 2.330 233 I HA 0.247 4.417 4.170 0.000 0.000 0.286 233 I C -1.022 175.029 176.117 -0.111 0.000 1.025 233 I CA -0.746 60.563 61.300 0.015 0.000 1.197 233 I CB 0.243 38.261 38.000 0.030 0.000 1.358 233 I HN 0.263 nan 8.210 nan 0.000 0.467 234 V N 5.864 125.667 119.914 -0.186 0.000 2.439 234 V HA 0.436 4.556 4.120 0.000 0.000 0.282 234 V C 0.396 176.242 176.094 -0.412 0.000 1.039 234 V CA -0.290 61.756 62.300 -0.423 0.000 0.913 234 V CB 1.198 32.663 31.823 -0.597 0.000 0.983 234 V HN 0.710 nan 8.190 nan 0.000 0.460 235 T N 4.562 118.824 114.554 -0.486 0.000 2.887 235 T HA 0.559 4.909 4.350 0.000 0.000 0.288 235 T C -1.277 173.187 174.700 -0.392 0.000 1.021 235 T CA -0.321 61.624 62.100 -0.259 0.000 1.000 235 T CB 1.111 69.910 68.868 -0.115 0.000 1.034 235 T HN 0.637 nan 8.240 nan 0.000 0.467 236 W N 2.347 123.631 121.300 -0.027 0.000 2.715 236 W HA 0.291 4.951 4.660 0.000 0.000 0.331 236 W C -0.739 175.745 176.519 -0.059 0.000 1.031 236 W CA -0.881 56.436 57.345 -0.047 0.000 1.237 236 W CB 1.396 30.819 29.460 -0.062 0.000 1.378 236 W HN 0.629 nan 8.180 nan 0.000 0.454 237 D N 0.925 121.428 120.400 0.172 0.000 2.443 237 D HA -0.040 4.601 4.640 0.000 0.000 0.239 237 D C 0.887 177.273 176.300 0.144 0.000 1.136 237 D CA 0.501 54.590 54.000 0.148 0.000 0.879 237 D CB 0.985 41.864 40.800 0.131 0.000 1.195 237 D HN 0.342 nan 8.370 nan 0.000 0.443 238 W N 1.113 122.483 121.300 0.116 0.000 2.374 238 W HA -0.197 4.463 4.660 0.000 0.000 0.288 238 W C 2.483 179.045 176.519 0.071 0.000 1.218 238 W CA 1.180 58.574 57.345 0.081 0.000 1.245 238 W CB -0.089 29.381 29.460 0.017 0.000 1.126 238 W HN 0.478 nan 8.180 nan 0.000 0.545 239 S N -0.577 115.301 115.700 0.296 0.000 2.423 239 S HA -0.086 4.384 4.470 0.000 0.000 0.231 239 S C 1.702 176.403 174.600 0.168 0.000 1.014 239 S CA 1.112 59.432 58.200 0.200 0.000 0.965 239 S CB -0.487 62.796 63.200 0.138 0.000 0.785 239 S HN 0.123 nan 8.310 nan 0.000 0.495 240 A N 0.363 123.279 122.820 0.160 0.000 2.267 240 A HA 0.545 4.865 4.320 0.000 0.000 0.213 240 A C 0.721 178.380 177.584 0.125 0.000 1.192 240 A CA -0.253 51.862 52.037 0.131 0.000 0.851 240 A CB -0.047 19.030 19.000 0.129 0.000 0.881 240 A HN 0.507 nan 8.150 nan 0.000 0.494 241 L N 1.375 122.677 121.223 0.131 0.000 2.282 241 L HA 0.403 4.743 4.340 0.000 0.000 0.288 241 L C -0.272 176.730 176.870 0.220 0.000 1.033 241 L CA -0.318 54.580 54.840 0.097 0.000 0.807 241 L CB 1.770 43.792 42.059 -0.063 0.000 1.209 241 L HN 0.137 nan 8.230 nan 0.000 0.423 242 T N 0.243 114.902 114.554 0.175 0.000 2.905 242 T HA 0.161 4.511 4.350 0.000 0.000 0.283 242 T C 0.855 175.535 174.700 -0.035 0.000 1.031 242 T CA -0.653 61.563 62.100 0.194 0.000 1.002 242 T CB 2.073 71.000 68.868 0.098 0.000 1.200 242 T HN 0.565 nan 8.240 nan 0.000 0.560 243 E N 0.632 120.523 120.200 -0.516 0.000 2.055 243 E HA -0.267 4.084 4.350 0.000 0.000 0.209 243 E C 1.866 178.298 176.600 -0.280 0.000 1.036 243 E CA 2.345 58.248 56.400 -0.827 0.000 0.849 243 E CB -0.070 29.181 29.700 -0.749 0.000 0.767 243 E HN 0.683 nan 8.360 nan 0.000 0.461 244 E N -0.069 120.022 120.200 -0.182 0.000 2.055 244 E HA -0.330 4.020 4.350 0.000 0.000 0.209 244 E C 2.175 178.732 176.600 -0.071 0.000 1.036 244 E CA 1.352 57.694 56.400 -0.097 0.000 0.849 244 E CB -0.436 29.226 29.700 -0.064 0.000 0.767 244 E HN 0.410 nan 8.360 nan 0.000 0.461 245 A N 0.985 123.778 122.820 -0.045 0.000 1.898 245 A HA -0.148 4.172 4.320 0.000 0.000 0.216 245 A C 2.031 179.554 177.584 -0.101 0.000 1.181 245 A CA 1.224 53.227 52.037 -0.056 0.000 0.620 245 A CB -0.766 18.221 19.000 -0.022 0.000 0.819 245 A HN 0.323 nan 8.150 nan 0.000 0.442 246 F N 1.099 120.927 119.950 -0.203 0.000 2.075 246 F HA -0.159 4.368 4.527 0.000 0.000 0.297 246 F C 2.484 178.149 175.800 -0.224 0.000 1.113 246 F CA 2.390 60.244 58.000 -0.244 0.000 1.218 246 F CB -0.526 38.404 39.000 -0.117 0.000 0.984 246 F HN 0.188 nan 8.300 nan 0.000 0.472 247 T N 1.552 116.098 114.554 -0.013 0.000 2.777 247 T HA -0.120 4.230 4.350 0.000 0.000 0.266 247 T C 1.970 176.580 174.700 -0.150 0.000 1.040 247 T CA 1.237 63.292 62.100 -0.074 0.000 1.141 247 T CB -0.184 68.674 68.868 -0.016 0.000 0.868 247 T HN 0.218 nan 8.240 nan 0.000 0.444 248 R N 1.140 121.564 120.500 -0.127 0.000 2.105 248 R HA 0.005 4.345 4.340 0.000 0.000 0.239 248 R C 2.339 178.552 176.300 -0.145 0.000 1.135 248 R CA 0.931 56.969 56.100 -0.104 0.000 0.967 248 R CB -1.095 29.158 30.300 -0.078 0.000 0.861 248 R HN 0.427 nan 8.270 nan 0.000 0.442 249 I N 1.201 121.615 120.570 -0.259 0.000 2.069 249 I HA -0.316 3.854 4.170 0.000 0.000 0.237 249 I C 2.393 178.370 176.117 -0.233 0.000 1.053 249 I CA 1.453 62.557 61.300 -0.327 0.000 1.311 249 I CB -0.436 37.204 38.000 -0.599 0.000 1.030 249 I HN 0.015 nan 8.210 nan 0.000 0.398 250 I N 0.833 121.185 120.570 -0.364 0.000 2.208 250 I HA -0.294 3.876 4.170 0.000 0.000 0.245 250 I C 2.202 178.331 176.117 0.020 0.000 1.097 250 I CA 1.755 62.925 61.300 -0.216 0.000 1.363 250 I CB -1.576 36.256 38.000 -0.280 0.000 1.051 250 I HN 0.274 nan 8.210 nan 0.000 0.413 251 D N 0.856 121.251 120.400 -0.008 0.000 2.144 251 D HA -0.157 4.483 4.640 0.000 0.000 0.199 251 D C 1.949 178.289 176.300 0.066 0.000 0.984 251 D CA 0.967 54.992 54.000 0.041 0.000 0.834 251 D CB -0.342 40.463 40.800 0.009 0.000 0.955 251 D HN 0.283 nan 8.370 nan 0.000 0.465 252 N N -0.027 118.696 118.700 0.038 0.000 2.039 252 N HA -0.165 4.575 4.740 0.000 0.000 0.193 252 N C 1.752 177.357 175.510 0.157 0.000 1.044 252 N CA 0.911 53.999 53.050 0.064 0.000 0.847 252 N CB -0.745 37.738 38.487 -0.006 0.000 1.030 252 N HN 0.374 nan 8.380 nan 0.000 0.422 253 H N 0.354 119.468 119.070 0.072 0.000 2.319 253 H HA -0.119 4.437 4.556 0.000 0.000 0.297 253 H C 1.869 177.411 175.328 0.356 0.000 1.097 253 H CA 2.039 58.217 56.048 0.216 0.000 1.285 253 H CB -0.553 29.343 29.762 0.224 0.000 1.368 253 H HN 0.251 nan 8.280 nan 0.000 0.495 254 G N 0.279 109.269 108.800 0.317 0.000 2.514 254 G HA2 -0.306 3.654 3.960 0.000 0.000 0.217 254 G HA3 -0.306 3.654 3.960 0.000 0.000 0.217 254 G C 1.997 177.001 174.900 0.174 0.000 1.198 254 G CA 1.783 47.006 45.100 0.205 0.000 0.780 254 G HN 0.605 nan 8.290 nan 0.000 0.565 255 A N -0.459 122.452 122.820 0.153 0.000 1.972 255 A HA -0.049 4.271 4.320 0.000 0.000 0.219 255 A C 2.153 179.810 177.584 0.123 0.000 1.169 255 A CA 1.599 53.702 52.037 0.111 0.000 0.635 255 A CB -0.690 18.361 19.000 0.086 0.000 0.810 255 A HN 0.618 nan 8.150 nan 0.000 0.446 256 W N 0.062 121.351 121.300 -0.017 0.000 2.355 256 W HA -0.220 4.440 4.660 0.000 0.000 0.309 256 W C 2.144 178.564 176.519 -0.165 0.000 1.206 256 W CA 2.189 59.480 57.345 -0.090 0.000 1.284 256 W CB -0.299 29.112 29.460 -0.083 0.000 1.145 256 W HN 0.553 nan 8.180 nan 0.000 0.502 257 H N -0.791 118.467 119.070 0.314 0.000 2.457 257 H HA -0.170 4.386 4.556 0.000 0.000 0.294 257 H C 2.125 177.443 175.328 -0.017 0.000 1.064 257 H CA 1.956 58.096 56.048 0.154 0.000 1.330 257 H CB -0.354 29.455 29.762 0.080 0.000 1.395 257 H HN 0.268 nan 8.280 nan 0.000 0.541 258 Q N -0.022 119.833 119.800 0.091 0.000 2.369 258 Q HA -0.071 4.269 4.340 0.000 0.000 0.206 258 Q C 1.396 177.356 176.000 -0.066 0.000 0.963 258 Q CA 1.023 56.838 55.803 0.019 0.000 0.894 258 Q CB 0.231 28.985 28.738 0.028 0.000 0.965 258 Q HN 0.339 nan 8.270 nan 0.000 0.475 259 S N 0.094 115.689 115.700 -0.175 0.000 2.475 259 S HA 0.133 4.603 4.470 0.000 0.000 0.224 259 S C 1.175 175.565 174.600 -0.349 0.000 1.042 259 S CA 0.067 58.115 58.200 -0.254 0.000 0.935 259 S CB 0.142 63.154 63.200 -0.312 0.000 0.801 259 S HN 0.452 nan 8.310 nan 0.000 0.509 260 N N 0.437 118.816 118.700 -0.535 0.000 2.236 260 N HA 0.186 4.926 4.740 0.000 0.000 0.196 260 N C -0.320 175.039 175.510 -0.250 0.000 1.114 260 N CA 0.114 52.823 53.050 -0.569 0.000 0.859 260 N CB 0.517 38.215 38.487 -1.315 0.000 0.982 260 N HN 0.016 nan 8.380 nan 0.000 0.493 261 S N 0.692 116.319 115.700 -0.122 0.000 2.256 261 S HA 0.487 4.958 4.470 0.000 0.000 0.210 261 S C -0.567 174.044 174.600 0.018 0.000 1.329 261 S CA -0.468 57.735 58.200 0.004 0.000 1.267 261 S CB 0.280 63.548 63.200 0.114 0.000 1.086 261 S HN 0.302 nan 8.310 nan 0.000 0.468 262 A N 1.381 124.197 122.820 -0.006 0.000 2.386 262 A HA 1.041 5.361 4.320 0.000 0.000 0.308 262 A C -0.450 177.124 177.584 -0.018 0.000 1.128 262 A CA -0.590 51.446 52.037 -0.001 0.000 0.789 262 A CB 1.617 20.621 19.000 0.006 0.000 1.325 262 A HN 0.929 nan 8.150 nan 0.000 0.437 263 A N -0.828 121.990 122.820 -0.004 0.000 2.590 263 A HA 0.642 4.962 4.320 0.000 0.000 0.294 263 A C -0.274 177.315 177.584 0.009 0.000 1.046 263 A CA 0.085 52.121 52.037 -0.001 0.000 0.684 263 A CB 0.491 19.492 19.000 0.002 0.000 1.279 263 A HN 2.173 nan 8.150 nan 0.000 0.415 264 G N 1.072 109.876 108.800 0.006 0.000 4.959 264 G HA2 0.545 4.505 3.960 0.000 0.000 0.297 264 G HA3 0.545 4.505 3.960 0.000 0.000 0.297 264 G C 0.047 174.947 174.900 0.001 0.000 1.351 264 G CA 0.570 45.675 45.100 0.007 0.000 1.016 264 G HN 1.436 nan 8.290 nan 0.000 0.592 265 T N -3.019 111.538 114.554 0.004 0.000 2.910 265 T HA 0.646 4.996 4.350 0.000 0.000 0.287 265 T C -1.757 172.936 174.700 -0.012 0.000 1.050 265 T CA -1.661 60.436 62.100 -0.004 0.000 1.011 265 T CB 2.573 71.446 68.868 0.009 0.000 1.195 265 T HN -0.148 nan 8.240 nan 0.000 0.540 266 P HA -0.066 nan 4.420 nan 0.000 0.214 266 P C 0.915 178.183 177.300 -0.053 0.000 1.163 266 P CA 1.163 64.202 63.100 -0.101 0.000 0.883 266 P CB -0.215 31.356 31.700 -0.215 0.000 0.788 267 Y N -0.215 120.090 120.300 0.008 0.000 2.483 267 Y HA -0.024 4.526 4.550 0.000 0.000 0.291 267 Y C 2.407 178.325 175.900 0.029 0.000 1.143 267 Y CA 0.450 58.572 58.100 0.036 0.000 1.289 267 Y CB -1.491 36.989 38.460 0.033 0.000 0.983 267 Y HN -0.086 nan 8.280 nan 0.000 0.556 268 A N -1.470 121.436 122.820 0.144 0.000 2.125 268 A HA -0.117 4.203 4.320 0.000 0.000 0.219 268 A C 2.231 179.866 177.584 0.084 0.000 1.156 268 A CA 1.718 53.810 52.037 0.092 0.000 0.671 268 A CB -0.523 18.506 19.000 0.048 0.000 0.794 268 A HN 0.287 nan 8.150 nan 0.000 0.459 269 S N -1.098 114.648 115.700 0.077 0.000 2.556 269 S HA 0.274 4.744 4.470 0.000 0.000 0.216 269 S C 0.543 175.200 174.600 0.094 0.000 0.970 269 S CA -0.253 57.982 58.200 0.059 0.000 0.912 269 S CB -0.190 63.020 63.200 0.016 0.000 0.790 269 S HN 0.642 nan 8.310 nan 0.000 0.504 270 M N 2.459 122.142 119.600 0.138 0.000 2.233 270 M HA 0.261 4.741 4.480 0.000 0.000 0.355 270 M C -0.599 175.802 176.300 0.168 0.000 1.191 270 M CA -0.256 55.124 55.300 0.133 0.000 1.101 270 M CB 0.905 33.587 32.600 0.137 0.000 1.592 270 M HN 0.228 nan 8.290 nan 0.000 0.461 271 H N 2.911 122.018 119.070 0.061 0.000 2.747 271 H HA 0.707 5.263 4.556 0.000 0.000 0.371 271 H C -1.849 173.538 175.328 0.099 0.000 1.161 271 H CA -0.309 55.805 56.048 0.111 0.000 1.167 271 H CB 1.960 31.806 29.762 0.140 0.000 1.732 271 H HN 0.821 nan 8.280 nan 0.000 0.544 272 S N 2.286 117.679 115.700 -0.511 0.000 2.596 272 S HA 0.593 5.063 4.470 0.000 0.000 0.270 272 S C -1.709 172.717 174.600 -0.291 0.000 1.155 272 S CA -0.774 57.278 58.200 -0.248 0.000 0.827 272 S CB 1.832 65.038 63.200 0.011 0.000 1.130 272 S HN 0.365 nan 8.310 nan 0.000 0.467 273 V N 1.687 121.529 119.914 -0.120 0.000 2.569 273 V HA 0.466 4.586 4.120 0.000 0.000 0.301 273 V C -1.305 174.637 176.094 -0.253 0.000 1.044 273 V CA -0.549 61.609 62.300 -0.236 0.000 0.874 273 V CB 1.503 33.117 31.823 -0.348 0.000 1.002 273 V HN 0.935 nan 8.190 nan 0.000 0.424 274 F N 4.902 124.649 119.950 -0.338 0.000 2.335 274 F HA 0.478 5.005 4.527 0.000 0.000 0.365 274 F C -0.279 175.363 175.800 -0.263 0.000 1.122 274 F CA -0.754 57.105 58.000 -0.235 0.000 1.151 274 F CB 0.570 39.402 39.000 -0.279 0.000 1.282 274 F HN 0.516 nan 8.300 nan 0.000 0.513 275 Y N 6.634 127.152 120.300 0.364 0.000 2.613 275 Y HA 0.162 4.712 4.550 0.000 0.000 0.354 275 Y C 0.208 176.227 175.900 0.200 0.000 1.063 275 Y CA -0.578 57.662 58.100 0.233 0.000 1.384 275 Y CB 0.152 38.744 38.460 0.220 0.000 1.199 275 Y HN 0.396 nan 8.280 nan 0.000 0.517 276 L N 4.783 126.104 121.223 0.163 0.000 2.391 276 L HA 0.127 4.467 4.340 0.000 0.000 0.249 276 L C 0.060 177.037 176.870 0.179 0.000 1.308 276 L CA -0.230 54.647 54.840 0.061 0.000 1.209 276 L CB -0.777 41.247 42.059 -0.059 0.000 1.401 276 L HN 0.622 nan 8.230 nan 0.000 0.416 277 N N 0.668 119.498 118.700 0.217 0.000 2.453 277 N HA 0.082 4.822 4.740 0.000 0.000 0.253 277 N C 0.341 176.009 175.510 0.263 0.000 1.252 277 N CA -0.078 53.058 53.050 0.144 0.000 0.917 277 N CB 0.922 39.467 38.487 0.097 0.000 1.117 277 N HN 0.348 nan 8.380 nan 0.000 0.442 278 S N 0.439 116.090 115.700 -0.081 0.000 2.598 278 S HA -0.013 4.457 4.470 0.000 0.000 0.256 278 S C 1.198 175.503 174.600 -0.491 0.000 1.350 278 S CA -0.326 57.731 58.200 -0.237 0.000 0.984 278 S CB 0.486 63.367 63.200 -0.531 0.000 0.930 278 S HN 0.491 nan 8.310 nan 0.000 0.577 279 R N 0.394 120.219 120.500 -1.126 0.000 4.464 279 R HA 0.288 4.628 4.340 0.000 0.000 0.229 279 R C 0.495 176.372 176.300 -0.705 0.000 1.916 279 R CA 0.160 55.339 56.100 -1.534 0.000 1.601 279 R CB -0.873 28.470 30.300 -1.594 0.000 1.315 279 R HN 0.604 nan 8.270 nan 0.000 0.725 280 A N -0.905 121.591 122.820 -0.539 0.000 2.141 280 A HA 0.270 4.590 4.320 0.000 0.000 0.196 280 A C 1.595 179.081 177.584 -0.164 0.000 1.502 280 A CA 0.394 52.254 52.037 -0.294 0.000 1.075 280 A CB 0.248 19.093 19.000 -0.258 0.000 1.217 280 A HN 0.402 nan 8.150 nan 0.000 0.477 281 A N -0.995 121.602 122.820 -0.371 0.000 2.016 281 A HA 0.386 4.706 4.320 0.000 0.000 0.217 281 A C 2.129 179.800 177.584 0.145 0.000 1.162 281 A CA 1.668 53.640 52.037 -0.108 0.000 0.662 281 A CB -0.660 18.221 19.000 -0.198 0.000 0.812 281 A HN 1.909 nan 8.150 nan 0.000 0.450 282 G N -1.373 107.553 108.800 0.209 0.000 2.336 282 G HA2 -0.274 3.686 3.960 0.000 0.000 0.233 282 G HA3 -0.274 3.686 3.960 0.000 0.000 0.233 282 G C 0.213 175.366 174.900 0.422 0.000 1.053 282 G CA 0.603 45.881 45.100 0.296 0.000 0.625 282 G HN 1.396 nan 8.290 nan 0.000 0.511 283 Q N 0.005 120.013 119.800 0.346 0.000 2.511 283 Q HA 0.695 5.035 4.340 0.000 0.000 0.289 283 Q C -0.507 175.576 176.000 0.137 0.000 1.021 283 Q CA -0.973 54.936 55.803 0.176 0.000 0.785 283 Q CB 2.070 30.899 28.738 0.152 0.000 1.472 283 Q HN 1.070 nan 8.270 nan 0.000 0.411 284 I N -0.643 119.978 120.570 0.085 0.000 2.377 284 I HA 0.678 4.848 4.170 0.000 0.000 0.293 284 I C -1.332 175.076 176.117 0.484 0.000 0.987 284 I CA -1.085 60.359 61.300 0.241 0.000 1.185 284 I CB 1.511 39.583 38.000 0.120 0.000 1.341 284 I HN 0.649 nan 8.210 nan 0.000 0.455 285 L N 6.721 128.245 121.223 0.501 0.000 2.365 285 L HA 0.568 4.908 4.340 0.000 0.000 0.273 285 L C -1.369 175.720 176.870 0.364 0.000 1.000 285 L CA -0.734 54.347 54.840 0.402 0.000 0.819 285 L CB 1.955 44.211 42.059 0.328 0.000 1.284 285 L HN 0.690 nan 8.230 nan 0.000 0.418 286 L N 4.386 125.651 121.223 0.070 0.000 2.294 286 L HA 0.411 4.751 4.340 0.000 0.000 0.283 286 L C -1.241 175.647 176.870 0.030 0.000 1.015 286 L CA -0.385 54.372 54.840 -0.139 0.000 0.831 286 L CB 1.388 43.186 42.059 -0.435 0.000 1.217 286 L HN 0.617 nan 8.230 nan 0.000 0.420 287 D N 5.956 126.420 120.400 0.107 0.000 2.373 287 D HA 0.331 4.971 4.640 0.000 0.000 0.227 287 D C -0.577 175.809 176.300 0.143 0.000 1.091 287 D CA -0.119 53.979 54.000 0.164 0.000 0.840 287 D CB 1.201 42.168 40.800 0.279 0.000 1.060 287 D HN 0.460 nan 8.370 nan 0.000 0.502 288 I N 1.857 122.520 120.570 0.156 0.000 2.465 288 I HA 0.487 4.657 4.170 0.000 0.000 0.291 288 I C -1.300 174.889 176.117 0.121 0.000 1.014 288 I CA -0.636 60.751 61.300 0.144 0.000 1.093 288 I CB 1.676 39.797 38.000 0.202 0.000 1.267 288 I HN 0.293 nan 8.210 nan 0.000 0.431 289 Q N 6.798 126.673 119.800 0.124 0.000 2.484 289 Q HA 0.789 5.129 4.340 0.000 0.000 0.285 289 Q C -1.548 174.503 176.000 0.084 0.000 1.097 289 Q CA -0.956 54.906 55.803 0.098 0.000 0.802 289 Q CB 3.256 32.076 28.738 0.136 0.000 1.444 289 Q HN 0.880 nan 8.270 nan 0.000 0.429 290 I N 0.294 120.894 120.570 0.051 0.000 2.984 290 I HA 0.205 4.375 4.170 0.000 0.000 0.303 290 I C -1.770 174.368 176.117 0.034 0.000 1.381 290 I CA -0.794 60.533 61.300 0.044 0.000 0.988 290 I CB 2.468 40.477 38.000 0.015 0.000 1.307 290 I HN 0.869 nan 8.210 nan 0.000 0.460 291 D N 3.931 124.344 120.400 0.023 0.000 2.389 291 D HA 0.128 4.768 4.640 0.000 0.000 0.263 291 D C 1.004 177.301 176.300 -0.004 0.000 1.255 291 D CA 0.583 54.587 54.000 0.006 0.000 0.914 291 D CB 1.307 42.090 40.800 -0.028 0.000 1.116 291 D HN 0.667 nan 8.370 nan 0.000 0.502 292 G N 2.726 111.531 108.800 0.008 0.000 3.061 292 G HA2 0.061 4.021 3.960 0.000 0.000 0.208 292 G HA3 0.061 4.021 3.960 0.000 0.000 0.208 292 G C 1.094 175.991 174.900 -0.005 0.000 1.175 292 G CA 0.191 45.290 45.100 -0.001 0.000 0.812 292 G HN 0.555 nan 8.290 nan 0.000 0.523 293 G N 0.103 108.896 108.800 -0.011 0.000 3.044 293 G HA2 0.368 4.328 3.960 0.000 0.000 0.223 293 G HA3 0.368 4.328 3.960 0.000 0.000 0.223 293 G C 0.542 175.428 174.900 -0.024 0.000 1.123 293 G CA -0.194 44.897 45.100 -0.015 0.000 0.765 293 G HN 0.393 nan 8.290 nan 0.000 0.546 294 L N -0.919 120.285 121.223 -0.032 0.000 2.399 294 L HA 0.580 4.920 4.340 0.000 0.000 0.266 294 L C -0.617 176.228 176.870 -0.043 0.000 1.114 294 L CA -1.451 53.364 54.840 -0.041 0.000 0.804 294 L CB 0.240 42.269 42.059 -0.051 0.000 1.146 294 L HN -0.246 nan 8.230 nan 0.000 0.451 295 D N 1.515 121.889 120.400 -0.044 0.000 2.478 295 D HA 0.194 4.834 4.640 0.000 0.000 0.234 295 D C 1.314 177.582 176.300 -0.053 0.000 1.154 295 D CA 1.608 55.583 54.000 -0.041 0.000 0.874 295 D CB 0.525 41.302 40.800 -0.039 0.000 1.198 295 D HN 1.077 nan 8.370 nan 0.000 0.455 296 G N 1.391 110.167 108.800 -0.039 0.000 2.450 296 G HA2 -0.248 3.712 3.960 0.000 0.000 0.302 296 G HA3 -0.248 3.712 3.960 0.000 0.000 0.302 296 G C 1.212 176.082 174.900 -0.049 0.000 0.957 296 G CA 0.942 46.021 45.100 -0.036 0.000 1.005 296 G HN 0.659 nan 8.290 nan 0.000 0.514 297 A N -0.453 122.339 122.820 -0.047 0.000 1.858 297 A HA 0.001 4.321 4.320 0.000 0.000 0.216 297 A C 2.226 179.788 177.584 -0.036 0.000 1.190 297 A CA 2.021 54.026 52.037 -0.054 0.000 0.617 297 A CB -0.312 18.660 19.000 -0.047 0.000 0.827 297 A HN 0.438 nan 8.150 nan 0.000 0.443 298 E N 0.058 120.244 120.200 -0.023 0.000 2.118 298 E HA -0.173 4.177 4.350 0.000 0.000 0.195 298 E C 2.287 178.920 176.600 0.056 0.000 0.992 298 E CA 1.251 57.648 56.400 -0.006 0.000 0.804 298 E CB -0.447 29.267 29.700 0.024 0.000 0.741 298 E HN 0.508 nan 8.360 nan 0.000 0.458 299 A N 0.891 123.737 122.820 0.044 0.000 1.858 299 A HA -0.201 4.119 4.320 0.000 0.000 0.216 299 A C 2.257 179.908 177.584 0.111 0.000 1.190 299 A CA 1.904 53.983 52.037 0.069 0.000 0.617 299 A CB -0.765 18.258 19.000 0.038 0.000 0.827 299 A HN 0.274 nan 8.150 nan 0.000 0.443 300 L N -1.675 119.586 121.223 0.064 0.000 2.275 300 L HA -0.018 4.322 4.340 0.000 0.000 0.215 300 L C 2.031 179.132 176.870 0.385 0.000 1.119 300 L CA 0.924 55.853 54.840 0.148 0.000 0.790 300 L CB -0.960 40.915 42.059 -0.307 0.000 0.919 300 L HN 0.158 nan 8.230 nan 0.000 0.443 301 L N 0.928 122.295 121.223 0.240 0.000 2.068 301 L HA -0.074 4.266 4.340 0.000 0.000 0.204 301 L C 2.255 179.340 176.870 0.357 0.000 1.076 301 L CA 1.472 56.476 54.840 0.274 0.000 0.753 301 L CB -0.977 41.081 42.059 -0.001 0.000 0.910 301 L HN 0.476 nan 8.230 nan 0.000 0.439 302 N N -1.132 117.754 118.700 0.311 0.000 2.381 302 N HA -0.164 4.576 4.740 0.000 0.000 0.182 302 N C 1.219 176.830 175.510 0.169 0.000 1.025 302 N CA 1.049 54.233 53.050 0.222 0.000 0.888 302 N CB -0.509 38.073 38.487 0.159 0.000 0.965 302 N HN 0.242 nan 8.380 nan 0.000 0.438 303 D N 0.080 120.619 120.400 0.232 0.000 2.117 303 D HA -0.096 4.544 4.640 0.000 0.000 0.198 303 D C 1.370 177.819 176.300 0.248 0.000 0.982 303 D CA 0.637 54.785 54.000 0.247 0.000 0.828 303 D CB -0.404 40.596 40.800 0.334 0.000 0.967 303 D HN 0.303 nan 8.370 nan 0.000 0.464 304 F N 1.160 121.161 119.950 0.085 0.000 2.069 304 F HA -0.239 4.288 4.527 0.000 0.000 0.298 304 F C 2.165 177.826 175.800 -0.232 0.000 1.113 304 F CA 1.466 59.315 58.000 -0.250 0.000 1.214 304 F CB -0.104 38.612 39.000 -0.473 0.000 0.978 304 F HN -0.050 nan 8.300 nan 0.000 0.474 305 V N -0.748 119.034 119.914 -0.221 0.000 2.913 305 V HA -0.008 4.112 4.120 0.000 0.000 0.260 305 V C 2.080 178.072 176.094 -0.169 0.000 1.098 305 V CA 1.380 63.495 62.300 -0.309 0.000 1.121 305 V CB -1.547 30.176 31.823 -0.167 0.000 0.714 305 V HN 0.394 nan 8.190 nan 0.000 0.487 306 A N 0.163 122.940 122.820 -0.072 0.000 2.072 306 A HA 0.473 4.793 4.320 0.000 0.000 0.216 306 A C 2.339 179.914 177.584 -0.014 0.000 1.156 306 A CA 1.341 53.369 52.037 -0.015 0.000 0.701 306 A CB -0.496 18.528 19.000 0.040 0.000 0.816 306 A HN 0.880 nan 8.150 nan 0.000 0.458 307 A N -0.726 122.063 122.820 -0.050 0.000 1.975 307 A HA 0.204 4.524 4.320 0.000 0.000 0.215 307 A C 2.059 179.589 177.584 -0.090 0.000 1.170 307 A CA 1.217 53.248 52.037 -0.009 0.000 0.656 307 A CB -0.489 18.594 19.000 0.138 0.000 0.821 307 A HN 0.258 nan 8.150 nan 0.000 0.449 308 V N 0.698 120.466 119.914 -0.244 0.000 2.358 308 V HA -0.160 3.960 4.120 0.000 0.000 0.246 308 V C 1.831 177.878 176.094 -0.079 0.000 1.047 308 V CA 2.119 64.296 62.300 -0.205 0.000 1.035 308 V CB -0.762 30.847 31.823 -0.357 0.000 0.658 308 V HN 0.647 nan 8.190 nan 0.000 0.452 309 N N -0.303 118.401 118.700 0.005 0.000 2.322 309 N HA -0.004 4.736 4.740 0.000 0.000 0.216 309 N C 1.533 177.065 175.510 0.036 0.000 1.144 309 N CA -0.004 53.096 53.050 0.084 0.000 0.830 309 N CB -0.013 38.608 38.487 0.223 0.000 1.034 309 N HN 0.415 nan 8.380 nan 0.000 0.484 310 E N -0.286 119.917 120.200 0.005 0.000 2.033 310 E HA -0.149 4.201 4.350 0.000 0.000 0.199 310 E C 1.286 177.892 176.600 0.009 0.000 1.011 310 E CA 1.437 57.843 56.400 0.011 0.000 0.815 310 E CB -0.303 29.405 29.700 0.013 0.000 0.755 310 E HN 0.461 nan 8.360 nan 0.000 0.451 311 G N 0.644 109.441 108.800 -0.005 0.000 2.920 311 G HA2 -0.028 3.932 3.960 0.000 0.000 0.208 311 G HA3 -0.028 3.932 3.960 0.000 0.000 0.208 311 G C 0.479 175.377 174.900 -0.004 0.000 1.159 311 G CA 0.440 45.535 45.100 -0.008 0.000 0.784 311 G HN 0.204 nan 8.290 nan 0.000 0.535 312 T N -0.682 113.877 114.554 0.008 0.000 2.828 312 T HA 0.442 4.792 4.350 0.000 0.000 0.290 312 T C 1.446 176.166 174.700 0.035 0.000 1.019 312 T CA 0.149 62.264 62.100 0.026 0.000 1.031 312 T CB 1.903 70.816 68.868 0.075 0.000 1.001 312 T HN 0.021 nan 8.240 nan 0.000 0.531 313 G N -0.207 108.617 108.800 0.039 0.000 3.126 313 G HA2 0.358 4.318 3.960 0.000 0.000 0.224 313 G HA3 0.358 4.318 3.960 0.000 0.000 0.224 313 G C 0.318 175.249 174.900 0.051 0.000 1.142 313 G CA -0.038 45.085 45.100 0.037 0.000 0.759 313 G HN 0.787 nan 8.290 nan 0.000 0.550 314 V N -0.289 119.674 119.914 0.082 0.000 2.547 314 V HA 0.722 4.842 4.120 0.000 0.000 0.299 314 V C -0.774 175.387 176.094 0.112 0.000 1.040 314 V CA -1.150 61.212 62.300 0.103 0.000 0.913 314 V CB 1.808 33.724 31.823 0.154 0.000 0.992 314 V HN 0.293 nan 8.190 nan 0.000 0.449 315 E N 7.356 127.582 120.200 0.043 0.000 2.081 315 E HA 0.587 4.937 4.350 0.000 0.000 0.276 315 E C -2.540 173.984 176.600 -0.127 0.000 0.950 315 E CA -1.997 54.391 56.400 -0.020 0.000 0.776 315 E CB 1.491 31.171 29.700 -0.032 0.000 1.094 315 E HN 0.717 nan 8.360 nan 0.000 0.402 316 P HA 0.102 nan 4.420 nan 0.000 0.270 316 P C -0.847 176.192 177.300 -0.435 0.000 1.223 316 P CA -0.407 62.301 63.100 -0.653 0.000 0.785 316 P CB 1.007 31.985 31.700 -1.203 0.000 0.923 317 A N 1.724 124.289 122.820 -0.424 0.000 2.331 317 A HA 0.548 4.868 4.320 0.000 0.000 0.283 317 A C -0.378 177.018 177.584 -0.314 0.000 1.142 317 A CA -0.407 51.460 52.037 -0.283 0.000 0.812 317 A CB 0.323 19.207 19.000 -0.193 0.000 1.074 317 A HN 0.341 nan 8.150 nan 0.000 0.497 318 V N 2.643 122.410 119.914 -0.246 0.000 2.638 318 V HA 0.487 4.607 4.120 0.000 0.000 0.306 318 V C -0.904 175.091 176.094 -0.165 0.000 1.052 318 V CA -0.635 61.512 62.300 -0.255 0.000 0.885 318 V CB 1.709 33.332 31.823 -0.333 0.000 0.999 318 V HN 0.995 nan 8.190 nan 0.000 0.424 319 Q N 3.543 123.273 119.800 -0.118 0.000 2.330 319 Q HA 0.755 5.095 4.340 0.000 0.000 0.269 319 Q C -0.834 175.177 176.000 0.018 0.000 1.022 319 Q CA -0.601 55.173 55.803 -0.048 0.000 0.796 319 Q CB 2.514 31.235 28.738 -0.029 0.000 1.271 319 Q HN 0.720 nan 8.270 nan 0.000 0.450 320 R N 0.604 121.140 120.500 0.061 0.000 2.778 320 R HA 0.906 5.246 4.340 0.000 0.000 0.277 320 R C -0.743 175.612 176.300 0.093 0.000 0.977 320 R CA -0.872 55.331 56.100 0.172 0.000 0.950 320 R CB 1.782 32.239 30.300 0.263 0.000 1.165 320 R HN 0.770 nan 8.270 nan 0.000 0.474 321 S N -0.645 115.104 115.700 0.081 0.000 2.537 321 S HA 0.417 4.887 4.470 0.000 0.000 0.270 321 S C -1.001 173.617 174.600 0.029 0.000 1.142 321 S CA -0.910 57.316 58.200 0.044 0.000 0.870 321 S CB 2.121 65.340 63.200 0.032 0.000 1.112 321 S HN 0.558 nan 8.310 nan 0.000 0.466 322 T N 1.250 115.817 114.554 0.022 0.000 2.809 322 T HA 0.671 5.021 4.350 0.000 0.000 0.284 322 T C -1.277 173.434 174.700 0.020 0.000 0.992 322 T CA -0.237 61.874 62.100 0.018 0.000 0.957 322 T CB 0.654 69.532 68.868 0.017 0.000 0.942 322 T HN 0.742 nan 8.240 nan 0.000 0.439 323 E N 4.538 124.751 120.200 0.021 0.000 2.392 323 E HA 0.562 4.912 4.350 0.000 0.000 0.269 323 E C -2.814 173.805 176.600 0.032 0.000 0.924 323 E CA -2.350 54.060 56.400 0.016 0.000 0.784 323 E CB 1.482 31.178 29.700 -0.006 0.000 1.292 323 E HN 0.355 nan 8.360 nan 0.000 0.447 324 P HA -0.069 nan 4.420 nan 0.000 0.269 324 P C -0.325 177.007 177.300 0.054 0.000 1.209 324 P CA -0.131 63.011 63.100 0.071 0.000 0.776 324 P CB 0.459 32.200 31.700 0.068 0.000 0.876 325 W N 4.626 125.863 121.300 -0.105 0.000 2.353 325 W HA -0.183 4.477 4.660 0.000 0.000 0.319 325 W C 1.814 178.178 176.519 -0.259 0.000 1.207 325 W CA 1.271 58.501 57.345 -0.192 0.000 1.291 325 W CB -1.004 28.304 29.460 -0.253 0.000 1.159 325 W HN 0.252 nan 8.180 nan 0.000 0.478 326 L N 1.646 122.588 121.223 -0.469 0.000 2.079 326 L HA -0.172 4.168 4.340 0.000 0.000 0.210 326 L C 2.790 179.395 176.870 -0.443 0.000 1.081 326 L CA 2.302 56.703 54.840 -0.732 0.000 0.752 326 L CB -1.025 40.821 42.059 -0.355 0.000 0.896 326 L HN 0.084 nan 8.230 nan 0.000 0.433 327 R N -0.551 119.812 120.500 -0.229 0.000 2.083 327 R HA -0.200 4.141 4.340 0.000 0.000 0.237 327 R C 2.131 178.323 176.300 -0.181 0.000 1.137 327 R CA 1.627 57.639 56.100 -0.146 0.000 0.951 327 R CB -0.478 29.783 30.300 -0.065 0.000 0.851 327 R HN 0.515 nan 8.270 nan 0.000 0.434 328 A N -0.172 122.521 122.820 -0.213 0.000 1.933 328 A HA -0.113 4.207 4.320 0.000 0.000 0.218 328 A C 2.128 179.543 177.584 -0.281 0.000 1.175 328 A CA 1.959 53.877 52.037 -0.198 0.000 0.628 328 A CB -0.693 18.213 19.000 -0.157 0.000 0.814 328 A HN 0.455 nan 8.150 nan 0.000 0.444 329 T N 0.125 114.356 114.554 -0.539 0.000 2.915 329 T HA 0.050 4.400 4.350 0.000 0.000 0.269 329 T C 1.296 175.808 174.700 -0.313 0.000 1.071 329 T CA 0.910 62.641 62.100 -0.614 0.000 1.132 329 T CB -0.220 67.849 68.868 -1.333 0.000 0.878 329 T HN 0.349 nan 8.240 nan 0.000 0.479 330 L N 0.972 122.050 121.223 -0.242 0.000 2.629 330 L HA 0.378 4.718 4.340 0.000 0.000 0.230 330 L C 1.087 177.930 176.870 -0.044 0.000 1.151 330 L CA -0.645 54.131 54.840 -0.106 0.000 0.924 330 L CB -0.443 41.558 42.059 -0.097 0.000 1.137 330 L HN 0.108 nan 8.230 nan 0.000 0.457 331 A N 1.612 124.404 122.820 -0.048 0.000 2.566 331 A HA -0.065 4.255 4.320 0.000 0.000 0.245 331 A C 0.906 178.507 177.584 0.028 0.000 1.056 331 A CA 0.007 52.028 52.037 -0.026 0.000 0.757 331 A CB -0.349 18.617 19.000 -0.057 0.000 0.979 331 A HN 0.661 nan 8.150 nan 0.000 0.508 332 N N 2.511 121.223 118.700 0.019 0.000 2.843 332 N HA 0.033 4.773 4.740 0.000 0.000 0.284 332 N C 0.135 175.644 175.510 -0.002 0.000 1.274 332 N CA -0.269 52.824 53.050 0.071 0.000 1.045 332 N CB 0.250 38.773 38.487 0.061 0.000 1.370 332 N HN 0.675 nan 8.380 nan 0.000 0.525 333 K N 0.246 120.534 120.400 -0.188 0.000 2.616 333 K HA -0.001 4.319 4.320 0.000 0.000 0.192 333 K C -0.532 175.680 176.600 -0.645 0.000 1.031 333 K CA 0.652 56.651 56.287 -0.480 0.000 1.004 333 K CB -0.106 31.984 32.500 -0.683 0.000 0.810 333 K HN 0.356 nan 8.250 nan 0.000 0.497 334 F N 0.611 120.609 119.950 0.080 0.000 2.739 334 F HA 0.158 4.685 4.527 0.000 0.000 0.345 334 F C 0.080 175.965 175.800 0.142 0.000 1.373 334 F CA -1.287 56.788 58.000 0.125 0.000 1.160 334 F CB 0.278 39.360 39.000 0.137 0.000 1.137 334 F HN -0.133 nan 8.300 nan 0.000 0.524 335 D N 0.539 121.052 120.400 0.188 0.000 2.277 335 D HA 0.058 4.699 4.640 0.000 0.000 0.249 335 D C 1.026 177.423 176.300 0.161 0.000 1.134 335 D CA 0.328 54.426 54.000 0.163 0.000 0.863 335 D CB 1.952 42.810 40.800 0.096 0.000 1.143 335 D HN 0.190 nan 8.370 nan 0.000 0.458 336 T N 2.168 116.832 114.554 0.184 0.000 2.978 336 T HA 0.106 4.456 4.350 0.000 0.000 0.262 336 T C 1.125 175.936 174.700 0.185 0.000 1.063 336 T CA 1.154 63.366 62.100 0.187 0.000 1.140 336 T CB -0.476 68.497 68.868 0.174 0.000 0.886 336 T HN 0.779 nan 8.240 nan 0.000 0.470 337 G N 0.394 109.285 108.800 0.152 0.000 2.359 337 G HA2 0.029 3.989 3.960 0.000 0.000 0.298 337 G HA3 0.029 3.989 3.960 0.000 0.000 0.298 337 G C 1.055 176.113 174.900 0.263 0.000 1.030 337 G CA 0.476 45.677 45.100 0.169 0.000 1.149 337 G HN 1.347 nan 8.290 nan 0.000 0.512 338 G N -1.355 107.503 108.800 0.097 0.000 2.205 338 G HA2 -0.265 3.695 3.960 0.000 0.000 0.261 338 G HA3 -0.265 3.695 3.960 0.000 0.000 0.261 338 G C 0.483 175.226 174.900 -0.263 0.000 0.980 338 G CA 0.599 45.641 45.100 -0.096 0.000 0.632 338 G HN 1.309 nan 8.290 nan 0.000 0.533 339 F N 2.502 122.389 119.950 -0.106 0.000 2.606 339 F HA 0.331 4.858 4.527 0.000 0.000 0.347 339 F C 1.327 177.023 175.800 -0.175 0.000 1.207 339 F CA -0.071 57.851 58.000 -0.129 0.000 1.306 339 F CB 0.542 39.493 39.000 -0.082 0.000 1.657 339 F HN 0.223 nan 8.300 nan 0.000 0.606 340 D N -0.276 120.011 120.400 -0.189 0.000 2.349 340 D HA -0.014 4.626 4.640 0.000 0.000 0.214 340 D C 0.520 176.538 176.300 -0.470 0.000 1.063 340 D CA -0.076 53.750 54.000 -0.291 0.000 0.847 340 D CB 0.146 40.792 40.800 -0.256 0.000 0.933 340 D HN 0.241 nan 8.370 nan 0.000 0.513 341 R N 0.954 121.070 120.500 -0.640 0.000 2.221 341 R HA 0.375 4.715 4.340 0.000 0.000 0.327 341 R C -0.061 175.588 176.300 -1.084 0.000 1.033 341 R CA 0.021 55.474 56.100 -1.078 0.000 0.887 341 R CB 1.300 30.504 30.300 -1.827 0.000 1.057 341 R HN 0.219 nan 8.270 nan 0.000 0.455 342 T N -0.274 113.867 114.554 -0.689 0.000 2.896 342 T HA 0.557 4.907 4.350 0.000 0.000 0.297 342 T C -0.942 173.769 174.700 0.017 0.000 1.108 342 T CA -1.063 60.899 62.100 -0.229 0.000 1.004 342 T CB 2.540 71.406 68.868 -0.003 0.000 1.159 342 T HN 0.318 nan 8.240 nan 0.000 0.499 343 K N 0.897 121.424 120.400 0.212 0.000 2.422 343 K HA 0.776 5.096 4.320 0.000 0.000 0.251 343 K C -1.168 175.411 176.600 -0.035 0.000 0.933 343 K CA -0.228 56.156 56.287 0.161 0.000 0.798 343 K CB 2.018 34.659 32.500 0.235 0.000 1.238 343 K HN 1.092 nan 8.250 nan 0.000 0.428 344 S N 2.040 117.667 115.700 -0.123 0.000 2.596 344 S HA 0.822 5.292 4.470 0.000 0.000 0.270 344 S C -1.720 172.718 174.600 -0.271 0.000 1.155 344 S CA -1.140 56.838 58.200 -0.370 0.000 0.827 344 S CB 1.361 64.218 63.200 -0.572 0.000 1.130 344 S HN 0.681 nan 8.310 nan 0.000 0.467 345 K N -0.030 120.151 120.400 -0.364 0.000 2.569 345 K HA 0.693 5.013 4.320 0.000 0.000 0.259 345 K C -0.298 176.301 176.600 -0.001 0.000 0.932 345 K CA -1.036 55.092 56.287 -0.264 0.000 0.833 345 K CB 1.358 33.378 32.500 -0.800 0.000 1.340 345 K HN 0.889 nan 8.250 nan 0.000 0.429 346 G N 0.669 109.662 108.800 0.321 0.000 3.251 346 G HA2 0.927 4.887 3.960 0.000 0.000 0.248 346 G HA3 0.927 4.887 3.960 0.000 0.000 0.248 346 G C -1.437 173.749 174.900 0.476 0.000 1.320 346 G CA -0.641 44.760 45.100 0.502 0.000 0.982 346 G HN 0.901 nan 8.290 nan 0.000 0.575 347 A N -1.864 121.138 122.820 0.304 0.000 2.590 347 A HA 0.584 4.904 4.320 0.000 0.000 0.296 347 A C -2.253 175.300 177.584 -0.052 0.000 1.050 347 A CA -0.651 51.473 52.037 0.145 0.000 0.697 347 A CB 0.484 19.647 19.000 0.271 0.000 1.277 347 A HN 0.691 nan 8.150 nan 0.000 0.411 348 Y N 1.212 121.486 120.300 -0.043 0.000 2.342 348 Y HA 0.562 5.112 4.550 0.000 0.000 0.338 348 Y C 0.042 175.863 175.900 -0.132 0.000 0.965 348 Y CA -0.224 57.786 58.100 -0.149 0.000 1.159 348 Y CB 1.511 39.869 38.460 -0.170 0.000 1.157 348 Y HN 0.550 nan 8.280 nan 0.000 0.486 349 L N 4.353 125.534 121.223 -0.069 0.000 2.275 349 L HA 0.501 4.842 4.340 0.000 0.000 0.288 349 L C 1.189 178.025 176.870 -0.056 0.000 1.046 349 L CA -0.481 54.284 54.840 -0.126 0.000 0.805 349 L CB 1.455 43.294 42.059 -0.366 0.000 1.193 349 L HN 0.640 nan 8.230 nan 0.000 0.426 350 R N 1.397 121.883 120.500 -0.023 0.000 2.246 350 R HA 0.172 4.512 4.340 0.000 0.000 0.199 350 R C 0.056 176.351 176.300 -0.008 0.000 0.984 350 R CA 0.709 56.809 56.100 0.001 0.000 1.015 350 R CB 0.437 30.743 30.300 0.010 0.000 0.930 350 R HN 0.575 nan 8.270 nan 0.000 0.475 351 K N -0.437 119.942 120.400 -0.036 0.000 2.495 351 K HA 0.386 4.706 4.320 0.000 0.000 0.268 351 K C -2.792 173.763 176.600 -0.075 0.000 1.008 351 K CA -2.114 54.156 56.287 -0.028 0.000 0.882 351 K CB 2.009 34.509 32.500 -0.001 0.000 1.443 351 K HN -0.257 nan 8.250 nan 0.000 0.447 352 P HA 0.019 nan 4.420 nan 0.000 0.272 352 P C -0.824 176.467 177.300 -0.015 0.000 1.230 352 P CA -0.148 62.925 63.100 -0.044 0.000 0.788 352 P CB 0.293 32.022 31.700 0.048 0.000 0.949 353 W N -0.079 121.231 121.300 0.017 0.000 2.209 353 W HA 0.132 4.792 4.660 0.000 0.000 0.344 353 W C 1.523 178.030 176.519 -0.019 0.000 1.285 353 W CA 0.090 57.421 57.345 -0.024 0.000 1.267 353 W CB -0.084 29.342 29.460 -0.057 0.000 1.167 353 W HN 0.249 nan 8.180 nan 0.000 0.574 354 T N 0.836 115.536 114.554 0.242 0.000 2.824 354 T HA 0.413 4.763 4.350 0.000 0.000 0.277 354 T C 1.226 175.974 174.700 0.081 0.000 0.975 354 T CA 0.043 62.217 62.100 0.122 0.000 0.966 354 T CB 1.097 70.014 68.868 0.083 0.000 1.054 354 T HN 0.512 nan 8.240 nan 0.000 0.533 355 A N 1.626 124.472 122.820 0.044 0.000 1.884 355 A HA 0.007 4.327 4.320 0.000 0.000 0.219 355 A C 2.663 180.243 177.584 -0.005 0.000 1.197 355 A CA 2.661 54.708 52.037 0.017 0.000 0.637 355 A CB -1.610 17.395 19.000 0.008 0.000 0.827 355 A HN 1.174 nan 8.150 nan 0.000 0.450 356 A N -1.236 121.578 122.820 -0.010 0.000 1.902 356 A HA -0.209 4.111 4.320 0.000 0.000 0.217 356 A C 2.153 179.691 177.584 -0.076 0.000 1.181 356 A CA 1.725 53.742 52.037 -0.033 0.000 0.623 356 A CB -0.587 18.399 19.000 -0.024 0.000 0.818 356 A HN 0.679 nan 8.150 nan 0.000 0.443 357 Q N -0.785 118.965 119.800 -0.084 0.000 2.050 357 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 357 Q C 2.438 178.269 176.000 -0.282 0.000 0.980 357 Q CA 1.441 57.111 55.803 -0.221 0.000 0.840 357 Q CB -0.380 28.264 28.738 -0.155 0.000 0.898 357 Q HN 0.678 nan 8.270 nan 0.000 0.424 358 A N 0.845 123.576 122.820 -0.149 0.000 2.019 358 A HA -0.108 4.212 4.320 0.000 0.000 0.219 358 A C 2.209 179.789 177.584 -0.007 0.000 1.164 358 A CA 1.525 53.504 52.037 -0.097 0.000 0.644 358 A CB -0.591 18.416 19.000 0.011 0.000 0.805 358 A HN 0.407 nan 8.150 nan 0.000 0.449 359 A N -1.094 121.709 122.820 -0.029 0.000 1.897 359 A HA -0.024 4.296 4.320 0.000 0.000 0.215 359 A C 2.285 179.873 177.584 0.007 0.000 1.181 359 A CA 2.090 54.128 52.037 0.002 0.000 0.620 359 A CB -1.088 17.901 19.000 -0.020 0.000 0.821 359 A HN 0.402 nan 8.150 nan 0.000 0.443 360 T N 0.323 114.836 114.554 -0.070 0.000 2.746 360 T HA -0.113 4.237 4.350 0.000 0.000 0.267 360 T C 1.784 176.440 174.700 -0.072 0.000 1.039 360 T CA 1.418 63.477 62.100 -0.068 0.000 1.142 360 T CB -0.378 68.409 68.868 -0.134 0.000 0.866 360 T HN 0.203 nan 8.240 nan 0.000 0.444 361 L N 0.520 121.634 121.223 -0.182 0.000 1.978 361 L HA -0.168 4.172 4.340 0.000 0.000 0.218 361 L C 2.162 178.939 176.870 -0.154 0.000 1.075 361 L CA 1.922 56.651 54.840 -0.186 0.000 0.767 361 L CB -1.061 40.887 42.059 -0.184 0.000 0.890 361 L HN 0.400 nan 8.230 nan 0.000 0.434 362 Y N 0.113 120.207 120.300 -0.343 0.000 2.128 362 Y HA -0.291 4.259 4.550 0.000 0.000 0.284 362 Y C 2.674 178.398 175.900 -0.293 0.000 1.154 362 Y CA 1.869 59.600 58.100 -0.615 0.000 1.149 362 Y CB -0.243 37.924 38.460 -0.488 0.000 0.976 362 Y HN 0.094 nan 8.280 nan 0.000 0.505 363 R N -1.140 119.238 120.500 -0.204 0.000 2.120 363 R HA -0.175 4.165 4.340 0.000 0.000 0.234 363 R C 1.882 177.969 176.300 -0.354 0.000 1.123 363 R CA 1.815 57.730 56.100 -0.309 0.000 0.975 363 R CB -0.479 29.731 30.300 -0.150 0.000 0.866 363 R HN 0.532 nan 8.270 nan 0.000 0.446 364 H N -0.430 118.503 119.070 -0.228 0.000 2.448 364 H HA 0.110 4.666 4.556 0.000 0.000 0.292 364 H C 1.825 177.177 175.328 0.039 0.000 1.035 364 H CA 0.835 56.816 56.048 -0.113 0.000 1.349 364 H CB 0.338 29.939 29.762 -0.269 0.000 1.425 364 H HN 0.028 nan 8.280 nan 0.000 0.539 365 L N -1.109 120.112 121.223 -0.003 0.000 2.209 365 L HA -0.073 4.267 4.340 0.000 0.000 0.207 365 L C 2.469 178.998 176.870 -0.568 0.000 1.094 365 L CA 0.577 55.375 54.840 -0.070 0.000 0.790 365 L CB -0.197 41.961 42.059 0.166 0.000 0.932 365 L HN 0.195 nan 8.230 nan 0.000 0.447 366 S N 0.027 115.316 115.700 -0.686 0.000 2.368 366 S HA -0.030 4.440 4.470 0.000 0.000 0.225 366 S C 1.205 175.397 174.600 -0.680 0.000 1.030 366 S CA 0.759 58.392 58.200 -0.944 0.000 0.999 366 S CB -0.134 62.431 63.200 -1.059 0.000 0.844 366 S HN 0.357 nan 8.310 nan 0.000 0.459 367 A N 1.732 124.276 122.820 -0.459 0.000 2.462 367 A HA 0.166 4.486 4.320 0.000 0.000 0.243 367 A C 0.352 177.726 177.584 -0.349 0.000 1.076 367 A CA -0.146 51.691 52.037 -0.333 0.000 0.773 367 A CB 0.084 18.947 19.000 -0.228 0.000 1.010 367 A HN 0.451 nan 8.150 nan 0.000 0.493 368 D N 2.494 122.715 120.400 -0.298 0.000 3.057 368 D HA 0.123 4.763 4.640 0.000 0.000 0.246 368 D C 0.687 176.844 176.300 -0.237 0.000 1.238 368 D CA 0.185 54.011 54.000 -0.290 0.000 0.949 368 D CB -0.178 40.481 40.800 -0.236 0.000 1.086 368 D HN 0.514 nan 8.370 nan 0.000 0.487 369 S N 0.366 115.903 115.700 -0.272 0.000 2.589 369 S HA -0.125 4.345 4.470 0.000 0.000 0.256 369 S C 0.842 175.301 174.600 -0.235 0.000 1.383 369 S CA -0.064 57.991 58.200 -0.242 0.000 0.983 369 S CB 1.084 64.109 63.200 -0.291 0.000 0.908 369 S HN 0.446 nan 8.310 nan 0.000 0.572 370 Q N 1.203 120.882 119.800 -0.201 0.000 2.239 370 Q HA 0.197 4.538 4.340 0.000 0.000 0.219 370 Q C -0.232 175.670 176.000 -0.163 0.000 0.901 370 Q CA -0.179 55.528 55.803 -0.160 0.000 0.949 370 Q CB -0.570 28.063 28.738 -0.176 0.000 1.038 370 Q HN 0.578 nan 8.270 nan 0.000 0.458 371 V N -3.086 116.661 119.914 -0.278 0.000 2.876 371 V HA 0.467 4.587 4.120 0.000 0.000 0.312 371 V C -0.931 174.983 176.094 -0.301 0.000 1.085 371 V CA -1.100 61.021 62.300 -0.299 0.000 0.945 371 V CB 1.733 33.232 31.823 -0.541 0.000 1.017 371 V HN 0.326 nan 8.190 nan 0.000 0.428 372 W N 4.577 125.699 121.300 -0.298 0.000 2.430 372 W HA 0.633 5.293 4.660 0.000 0.000 0.380 372 W C 0.317 176.722 176.519 -0.190 0.000 1.045 372 W CA 0.082 57.309 57.345 -0.197 0.000 1.547 372 W CB 0.865 30.299 29.460 -0.043 0.000 1.554 372 W HN 1.017 nan 8.180 nan 0.000 0.378 373 G N 3.556 112.113 108.800 -0.405 0.000 2.513 373 G HA2 0.519 4.479 3.960 0.000 0.000 0.317 373 G HA3 0.519 4.479 3.960 0.000 0.000 0.317 373 G C -1.399 173.558 174.900 0.094 0.000 1.277 373 G CA -0.536 44.529 45.100 -0.058 0.000 0.955 373 G HN 0.456 nan 8.290 nan 0.000 0.484 374 E N -0.286 120.020 120.200 0.176 0.000 2.429 374 E HA 0.679 5.029 4.350 0.000 0.000 0.276 374 E C -1.642 175.009 176.600 0.084 0.000 0.953 374 E CA -0.980 55.496 56.400 0.127 0.000 0.787 374 E CB 2.305 32.075 29.700 0.118 0.000 1.307 374 E HN 0.314 nan 8.360 nan 0.000 0.458 375 V N 1.746 121.710 119.914 0.084 0.000 2.407 375 V HA 0.472 4.592 4.120 0.000 0.000 0.291 375 V C -0.792 175.348 176.094 0.077 0.000 1.018 375 V CA -0.719 61.615 62.300 0.056 0.000 0.842 375 V CB 1.609 33.441 31.823 0.016 0.000 0.996 375 V HN 0.746 nan 8.190 nan 0.000 0.426 376 S N 6.215 121.980 115.700 0.108 0.000 2.442 376 S HA 0.715 5.185 4.470 0.000 0.000 0.297 376 S C -0.410 174.089 174.600 -0.170 0.000 1.131 376 S CA -0.508 57.676 58.200 -0.026 0.000 1.092 376 S CB 0.903 64.147 63.200 0.073 0.000 0.998 376 S HN 0.530 nan 8.310 nan 0.000 0.478 377 L N 3.559 124.629 121.223 -0.255 0.000 2.296 377 L HA 0.564 4.904 4.340 0.000 0.000 0.286 377 L C -1.248 175.450 176.870 -0.286 0.000 1.023 377 L CA -0.874 53.859 54.840 -0.178 0.000 0.812 377 L CB 0.397 42.390 42.059 -0.110 0.000 1.223 377 L HN 0.587 nan 8.230 nan 0.000 0.421 378 Y N 0.346 120.722 120.300 0.127 0.000 2.341 378 Y HA 0.337 4.887 4.550 0.000 0.000 0.337 378 Y C 0.846 176.812 175.900 0.110 0.000 1.014 378 Y CA -0.858 57.337 58.100 0.158 0.000 1.111 378 Y CB 1.790 40.457 38.460 0.344 0.000 1.194 378 Y HN 0.634 nan 8.280 nan 0.000 0.462 379 S N 2.619 118.449 115.700 0.216 0.000 2.560 379 S HA 0.294 4.764 4.470 0.000 0.000 0.284 379 S C -0.959 173.877 174.600 0.393 0.000 1.327 379 S CA -0.224 58.119 58.200 0.238 0.000 1.055 379 S CB 0.520 63.924 63.200 0.339 0.000 0.868 379 S HN 0.713 nan 8.310 nan 0.000 0.506 380 Y N 0.870 121.279 120.300 0.181 0.000 2.896 380 Y HA 0.610 5.160 4.550 0.000 0.000 0.317 380 Y C 0.860 176.839 175.900 0.132 0.000 1.444 380 Y CA 0.305 58.488 58.100 0.138 0.000 1.084 380 Y CB 1.122 39.615 38.460 0.055 0.000 1.382 380 Y HN 1.209 nan 8.280 nan 0.000 0.471 381 G N 0.743 109.548 108.800 0.009 0.000 2.498 381 G HA2 0.245 4.205 3.960 0.000 0.000 0.251 381 G HA3 0.245 4.205 3.960 0.000 0.000 0.251 381 G C 0.695 175.571 174.900 -0.041 0.000 1.170 381 G CA 0.490 45.627 45.100 0.061 0.000 0.944 381 G HN 2.234 nan 8.290 nan 0.000 0.567 382 G N -0.523 108.283 108.800 0.010 0.000 2.550 382 G HA2 -0.168 3.792 3.960 0.000 0.000 0.277 382 G HA3 -0.168 3.792 3.960 0.000 0.000 0.277 382 G C 0.981 175.878 174.900 -0.005 0.000 1.190 382 G CA 1.489 46.591 45.100 0.004 0.000 0.971 382 G HN 1.727 nan 8.290 nan 0.000 0.559 383 K N -0.243 120.155 120.400 -0.003 0.000 2.281 383 K HA 0.144 4.464 4.320 0.000 0.000 0.203 383 K C 2.583 179.180 176.600 -0.005 0.000 1.046 383 K CA 1.793 58.083 56.287 0.005 0.000 0.938 383 K CB -0.401 32.112 32.500 0.022 0.000 0.737 383 K HN 0.716 nan 8.250 nan 0.000 0.458 384 V N 1.274 121.164 119.914 -0.039 0.000 2.407 384 V HA -0.214 3.906 4.120 0.000 0.000 0.248 384 V C 0.694 176.786 176.094 -0.003 0.000 1.055 384 V CA 1.876 64.153 62.300 -0.039 0.000 1.049 384 V CB -0.321 31.430 31.823 -0.119 0.000 0.662 384 V HN 0.430 nan 8.190 nan 0.000 0.455 385 N N 0.031 118.733 118.700 0.004 0.000 2.449 385 N HA 0.046 4.786 4.740 0.000 0.000 0.191 385 N C 1.558 177.080 175.510 0.020 0.000 1.161 385 N CA 0.916 53.979 53.050 0.021 0.000 0.863 385 N CB 0.295 38.801 38.487 0.031 0.000 0.980 385 N HN 0.440 nan 8.380 nan 0.000 0.458 386 S N -0.476 115.234 115.700 0.017 0.000 2.478 386 S HA 0.116 4.586 4.470 0.000 0.000 0.222 386 S C 0.833 175.449 174.600 0.026 0.000 1.008 386 S CA -0.106 58.105 58.200 0.020 0.000 0.928 386 S CB 0.625 63.835 63.200 0.018 0.000 0.781 386 S HN 0.005 nan 8.310 nan 0.000 0.518 387 V N 4.186 124.117 119.914 0.029 0.000 2.498 387 V HA 0.249 4.369 4.120 0.000 0.000 0.279 387 V C -2.378 173.745 176.094 0.049 0.000 1.048 387 V CA -2.056 60.269 62.300 0.043 0.000 0.967 387 V CB 0.782 32.631 31.823 0.043 0.000 0.988 387 V HN 0.115 nan 8.190 nan 0.000 0.473 388 P HA 0.064 nan 4.420 nan 0.000 0.268 388 P C 0.917 178.265 177.300 0.080 0.000 1.205 388 P CA -0.015 63.123 63.100 0.064 0.000 0.771 388 P CB 0.585 32.326 31.700 0.068 0.000 0.858 389 E N 1.743 121.985 120.200 0.070 0.000 2.169 389 E HA -0.306 4.044 4.350 0.000 0.000 0.202 389 E C 1.143 177.827 176.600 0.141 0.000 1.016 389 E CA 1.930 58.377 56.400 0.079 0.000 0.817 389 E CB -0.022 29.717 29.700 0.065 0.000 0.736 389 E HN 0.409 nan 8.360 nan 0.000 0.462 390 T N -1.822 112.834 114.554 0.169 0.000 3.069 390 T HA 0.361 4.711 4.350 0.000 0.000 0.252 390 T C 1.092 176.028 174.700 0.393 0.000 1.053 390 T CA 0.535 62.800 62.100 0.276 0.000 0.964 390 T CB 0.130 69.088 68.868 0.149 0.000 1.005 390 T HN 0.278 nan 8.240 nan 0.000 0.532 391 A N 0.138 123.146 122.820 0.314 0.000 2.119 391 A HA 0.345 4.665 4.320 0.000 0.000 0.216 391 A C 1.253 179.128 177.584 0.486 0.000 1.152 391 A CA 0.556 52.796 52.037 0.339 0.000 0.708 391 A CB -0.036 19.091 19.000 0.211 0.000 0.805 391 A HN 0.475 nan 8.150 nan 0.000 0.460 392 T N -2.852 111.905 114.554 0.338 0.000 2.853 392 T HA 0.495 4.845 4.350 0.000 0.000 0.311 392 T C -0.091 174.216 174.700 -0.655 0.000 1.307 392 T CA 0.116 62.112 62.100 -0.174 0.000 1.019 392 T CB 1.583 70.384 68.868 -0.112 0.000 1.264 392 T HN 0.431 nan 8.240 nan 0.000 0.497 393 A N 2.145 124.305 122.820 -1.101 0.000 2.310 393 A HA 0.361 4.681 4.320 0.000 0.000 0.230 393 A C 0.916 178.282 177.584 -0.364 0.000 1.294 393 A CA 0.430 51.876 52.037 -0.986 0.000 0.898 393 A CB -0.885 17.403 19.000 -1.186 0.000 0.917 393 A HN 0.812 nan 8.150 nan 0.000 0.491 394 T N -3.610 110.809 114.554 -0.225 0.000 2.963 394 T HA 0.602 4.952 4.350 0.000 0.000 0.343 394 T C 0.834 175.517 174.700 -0.029 0.000 1.146 394 T CA 0.029 62.103 62.100 -0.044 0.000 1.016 394 T CB 1.160 70.028 68.868 -0.000 0.000 1.046 394 T HN 0.340 nan 8.240 nan 0.000 0.496 395 A N 3.179 126.003 122.820 0.007 0.000 1.930 395 A HA 0.035 4.355 4.320 0.000 0.000 0.217 395 A C 1.398 178.948 177.584 -0.056 0.000 1.175 395 A CA 0.727 52.772 52.037 0.014 0.000 0.627 395 A CB -0.542 18.498 19.000 0.068 0.000 0.815 395 A HN 0.746 nan 8.150 nan 0.000 0.443 396 Q N 0.890 120.583 119.800 -0.178 0.000 2.409 396 Q HA 0.181 4.521 4.340 0.000 0.000 0.240 396 Q C -0.326 175.592 176.000 -0.136 0.000 1.226 396 Q CA 0.383 56.002 55.803 -0.307 0.000 0.895 396 Q CB 0.210 28.394 28.738 -0.924 0.000 1.491 396 Q HN 0.270 nan 8.270 nan 0.000 0.509 397 R N 2.198 122.667 120.500 -0.052 0.000 2.989 397 R HA 0.175 4.515 4.340 0.000 0.000 0.340 397 R C -0.587 175.725 176.300 0.020 0.000 1.205 397 R CA -0.085 56.018 56.100 0.006 0.000 1.235 397 R CB 0.297 30.606 30.300 0.016 0.000 1.394 397 R HN 0.484 nan 8.270 nan 0.000 0.598 398 D N -0.801 119.618 120.400 0.030 0.000 3.333 398 D HA 0.021 4.661 4.640 0.000 0.000 0.281 398 D C -0.940 175.395 176.300 0.058 0.000 1.578 398 D CA 0.134 54.157 54.000 0.039 0.000 0.857 398 D CB 0.387 41.198 40.800 0.019 0.000 1.603 398 D HN -0.074 nan 8.370 nan 0.000 0.508 399 S N 0.049 115.816 115.700 0.111 0.000 2.617 399 S HA 0.473 4.943 4.470 0.000 0.000 0.283 399 S C 1.613 176.332 174.600 0.198 0.000 1.189 399 S CA -0.776 57.505 58.200 0.135 0.000 1.036 399 S CB 1.393 64.688 63.200 0.158 0.000 1.014 399 S HN 0.339 nan 8.310 nan 0.000 0.522 400 I N -1.431 119.218 120.570 0.132 0.000 3.265 400 I HA 0.465 4.635 4.170 0.000 0.000 0.282 400 I C -0.190 176.022 176.117 0.159 0.000 1.207 400 I CA 0.605 61.999 61.300 0.156 0.000 1.449 400 I CB 0.113 38.178 38.000 0.109 0.000 1.121 400 I HN 0.344 nan 8.210 nan 0.000 0.442 401 I N 1.268 121.860 120.570 0.037 0.000 2.656 401 I HA 0.375 4.545 4.170 0.000 0.000 0.292 401 I C -0.634 175.369 176.117 -0.189 0.000 1.144 401 I CA -0.623 60.647 61.300 -0.050 0.000 1.038 401 I CB 2.658 40.565 38.000 -0.155 0.000 1.244 401 I HN -0.047 nan 8.210 nan 0.000 0.420 402 K N 4.245 124.509 120.400 -0.225 0.000 2.130 402 K HA 0.671 4.991 4.320 0.000 0.000 0.268 402 K C -1.074 175.579 176.600 0.089 0.000 0.983 402 K CA -0.539 55.533 56.287 -0.360 0.000 0.893 402 K CB 2.435 34.510 32.500 -0.708 0.000 1.066 402 K HN 0.464 nan 8.250 nan 0.000 0.450 403 V N 1.664 121.655 119.914 0.128 0.000 2.680 403 V HA 0.616 4.736 4.120 0.000 0.000 0.309 403 V C -1.922 174.470 176.094 0.496 0.000 1.052 403 V CA -0.752 61.736 62.300 0.314 0.000 0.908 403 V CB 1.515 33.518 31.823 0.300 0.000 1.001 403 V HN 0.889 nan 8.190 nan 0.000 0.431 404 W N 7.166 128.633 121.300 0.280 0.000 2.587 404 W HA 0.768 5.428 4.660 0.000 0.000 0.324 404 W C -0.942 175.635 176.519 0.097 0.000 1.008 404 W CA -0.954 56.460 57.345 0.115 0.000 1.265 404 W CB 1.924 31.384 29.460 -0.000 0.000 1.328 404 W HN 0.677 nan 8.180 nan 0.000 0.432 405 M N 5.766 125.169 119.600 -0.327 0.000 2.363 405 M HA 0.569 5.049 4.480 0.000 0.000 0.343 405 M C 0.252 176.085 176.300 -0.778 0.000 1.165 405 M CA -0.511 54.563 55.300 -0.377 0.000 1.046 405 M CB 1.762 34.280 32.600 -0.136 0.000 1.648 405 M HN 0.457 nan 8.290 nan 0.000 0.452 406 S N 1.376 116.747 115.700 -0.547 0.000 2.607 406 S HA 0.938 5.408 4.470 0.000 0.000 0.273 406 S C -1.442 173.171 174.600 0.022 0.000 1.148 406 S CA -0.929 57.004 58.200 -0.445 0.000 0.833 406 S CB 2.152 64.903 63.200 -0.749 0.000 1.130 406 S HN 0.885 nan 8.310 nan 0.000 0.470 407 A N 1.222 124.132 122.820 0.151 0.000 2.356 407 A HA 0.835 5.155 4.320 0.000 0.000 0.310 407 A C -0.493 177.360 177.584 0.447 0.000 1.075 407 A CA -0.709 51.522 52.037 0.324 0.000 0.746 407 A CB 1.394 20.626 19.000 0.386 0.000 1.221 407 A HN 0.922 nan 8.150 nan 0.000 0.443 408 T N 1.741 116.596 114.554 0.502 0.000 2.886 408 T HA 0.734 5.084 4.350 0.000 0.000 0.292 408 T C -0.759 174.337 174.700 0.659 0.000 1.012 408 T CA -0.277 62.113 62.100 0.483 0.000 0.982 408 T CB 0.834 69.917 68.868 0.358 0.000 1.018 408 T HN 1.119 nan 8.240 nan 0.000 0.451 409 W N 1.843 123.251 121.300 0.181 0.000 2.923 409 W HA 0.666 5.326 4.660 0.000 0.000 0.373 409 W C 0.228 176.715 176.519 -0.052 0.000 1.205 409 W CA -1.109 56.325 57.345 0.148 0.000 1.180 409 W CB 1.437 30.946 29.460 0.082 0.000 1.477 409 W HN 0.602 nan 8.180 nan 0.000 0.581 410 M N 0.970 120.490 119.600 -0.134 0.000 2.638 410 M HA 0.136 4.616 4.480 0.000 0.000 0.256 410 M C -0.231 175.891 176.300 -0.296 0.000 1.282 410 M CA 0.594 55.622 55.300 -0.454 0.000 1.155 410 M CB 0.314 32.435 32.600 -0.798 0.000 1.345 410 M HN 0.402 nan 8.290 nan 0.000 0.523 411 D N 1.205 121.542 120.400 -0.104 0.000 2.344 411 D HA 0.215 4.855 4.640 0.000 0.000 0.239 411 D C -2.210 174.116 176.300 0.043 0.000 1.064 411 D CA -1.848 52.064 54.000 -0.148 0.000 0.829 411 D CB 1.818 42.414 40.800 -0.340 0.000 1.129 411 D HN 0.043 nan 8.370 nan 0.000 0.506 412 P HA -0.208 nan 4.420 nan 0.000 0.217 412 P C 1.290 178.669 177.300 0.131 0.000 1.148 412 P CA 1.434 64.600 63.100 0.111 0.000 0.834 412 P CB 0.040 31.745 31.700 0.010 0.000 0.783 413 A N -0.538 122.309 122.820 0.045 0.000 2.076 413 A HA -0.197 4.123 4.320 0.000 0.000 0.220 413 A C 1.615 179.336 177.584 0.229 0.000 1.160 413 A CA 1.202 53.299 52.037 0.099 0.000 0.653 413 A CB -1.673 17.370 19.000 0.072 0.000 0.801 413 A HN 0.419 nan 8.150 nan 0.000 0.455 414 H N -1.476 117.596 119.070 0.004 0.000 2.537 414 H HA 0.087 4.643 4.556 0.000 0.000 0.295 414 H C 0.473 175.580 175.328 -0.368 0.000 1.054 414 H CA -0.402 55.552 56.048 -0.157 0.000 1.156 414 H CB 0.339 29.991 29.762 -0.184 0.000 1.468 414 H HN 0.378 nan 8.280 nan 0.000 0.551 415 D N 1.063 121.469 120.400 0.009 0.000 2.097 415 D HA -0.127 4.513 4.640 0.000 0.000 0.197 415 D C 1.553 177.754 176.300 -0.166 0.000 0.984 415 D CA 1.082 55.071 54.000 -0.018 0.000 0.826 415 D CB -0.019 40.932 40.800 0.252 0.000 0.973 415 D HN 0.343 nan 8.370 nan 0.000 0.460 416 D N 0.147 120.509 120.400 -0.063 0.000 2.123 416 D HA -0.104 4.536 4.640 0.000 0.000 0.196 416 D C 1.931 178.175 176.300 -0.094 0.000 0.992 416 D CA 1.487 55.462 54.000 -0.042 0.000 0.833 416 D CB -0.265 40.530 40.800 -0.008 0.000 0.954 416 D HN 0.150 nan 8.370 nan 0.000 0.455 417 A N 0.610 123.334 122.820 -0.160 0.000 1.845 417 A HA -0.236 4.084 4.320 0.000 0.000 0.215 417 A C 2.022 179.507 177.584 -0.166 0.000 1.195 417 A CA 1.936 53.881 52.037 -0.155 0.000 0.616 417 A CB -0.896 17.978 19.000 -0.210 0.000 0.832 417 A HN 0.180 nan 8.150 nan 0.000 0.443 418 N N -0.030 118.440 118.700 -0.382 0.000 2.069 418 N HA -0.106 4.634 4.740 0.000 0.000 0.191 418 N C 1.580 177.004 175.510 -0.144 0.000 1.031 418 N CA 1.530 54.352 53.050 -0.380 0.000 0.852 418 N CB -0.433 37.462 38.487 -0.988 0.000 1.018 418 N HN 0.452 nan 8.380 nan 0.000 0.423 419 L N 0.431 121.534 121.223 -0.200 0.000 2.013 419 L HA -0.245 4.095 4.340 0.000 0.000 0.212 419 L C 2.420 179.314 176.870 0.040 0.000 1.073 419 L CA 1.359 56.188 54.840 -0.019 0.000 0.753 419 L CB -0.658 41.428 42.059 0.046 0.000 0.890 419 L HN 0.216 nan 8.230 nan 0.000 0.432 420 A N 0.081 122.950 122.820 0.081 0.000 1.903 420 A HA -0.305 4.015 4.320 0.000 0.000 0.219 420 A C 2.139 179.794 177.584 0.118 0.000 1.191 420 A CA 2.114 54.241 52.037 0.149 0.000 0.638 420 A CB -1.301 17.773 19.000 0.123 0.000 0.823 420 A HN 0.754 nan 8.150 nan 0.000 0.451 421 W N 1.566 122.827 121.300 -0.064 0.000 2.311 421 W HA -0.275 4.385 4.660 0.000 0.000 0.326 421 W C 1.638 178.089 176.519 -0.114 0.000 1.239 421 W CA 2.645 59.948 57.345 -0.069 0.000 1.258 421 W CB -0.646 28.758 29.460 -0.093 0.000 1.165 421 W HN 0.415 nan 8.180 nan 0.000 0.466 422 I N 0.959 121.320 120.570 -0.348 0.000 2.439 422 I HA -0.066 4.104 4.170 0.000 0.000 0.251 422 I C 2.486 178.324 176.117 -0.466 0.000 1.139 422 I CA 1.279 62.240 61.300 -0.564 0.000 1.438 422 I CB -1.451 36.435 38.000 -0.190 0.000 1.085 422 I HN -0.125 nan 8.210 nan 0.000 0.427 423 R N 1.102 121.353 120.500 -0.415 0.000 2.105 423 R HA -0.172 4.168 4.340 0.000 0.000 0.239 423 R C 2.249 178.285 176.300 -0.440 0.000 1.135 423 R CA 1.790 57.518 56.100 -0.621 0.000 0.967 423 R CB -0.527 29.127 30.300 -1.077 0.000 0.861 423 R HN 0.497 nan 8.270 nan 0.000 0.442 424 E N 0.364 120.376 120.200 -0.314 0.000 2.047 424 E HA -0.150 4.200 4.350 0.000 0.000 0.191 424 E C 1.900 178.236 176.600 -0.440 0.000 0.987 424 E CA 1.354 57.633 56.400 -0.201 0.000 0.799 424 E CB -0.049 29.613 29.700 -0.063 0.000 0.752 424 E HN 0.335 nan 8.360 nan 0.000 0.449 425 I N -0.335 119.724 120.570 -0.852 0.000 2.286 425 I HA -0.259 3.911 4.170 0.000 0.000 0.248 425 I C 2.226 178.023 176.117 -0.533 0.000 1.115 425 I CA 1.133 61.795 61.300 -1.063 0.000 1.392 425 I CB -0.512 36.800 38.000 -1.146 0.000 1.065 425 I HN 0.102 nan 8.210 nan 0.000 0.418 426 Y N 2.653 122.679 120.300 -0.456 0.000 2.070 426 Y HA -0.321 4.230 4.550 0.000 0.000 0.279 426 Y C 2.894 178.769 175.900 -0.041 0.000 1.134 426 Y CA 2.184 60.162 58.100 -0.203 0.000 1.113 426 Y CB -0.145 38.211 38.460 -0.173 0.000 0.981 426 Y HN 0.052 nan 8.280 nan 0.000 0.487 427 R N 0.335 120.895 120.500 0.101 0.000 2.152 427 R HA -0.154 4.186 4.340 0.000 0.000 0.232 427 R C 1.932 178.233 176.300 0.001 0.000 1.117 427 R CA 1.919 58.084 56.100 0.107 0.000 0.981 427 R CB -0.836 29.560 30.300 0.159 0.000 0.870 427 R HN 0.447 nan 8.270 nan 0.000 0.451 428 E N 0.839 120.978 120.200 -0.100 0.000 2.072 428 E HA -0.072 4.278 4.350 0.000 0.000 0.190 428 E C 1.748 178.210 176.600 -0.230 0.000 0.982 428 E CA 1.140 57.467 56.400 -0.122 0.000 0.803 428 E CB 0.018 29.655 29.700 -0.104 0.000 0.755 428 E HN 0.520 nan 8.360 nan 0.000 0.453 429 I N -0.787 119.525 120.570 -0.429 0.000 3.111 429 I HA -0.068 4.102 4.170 0.000 0.000 0.272 429 I C 0.226 175.925 176.117 -0.695 0.000 1.268 429 I CA 0.982 61.906 61.300 -0.627 0.000 1.467 429 I CB -0.064 37.360 38.000 -0.960 0.000 1.087 429 I HN -0.006 nan 8.210 nan 0.000 0.467 430 F N 2.122 121.948 119.950 -0.206 0.000 2.668 430 F HA 0.518 5.045 4.527 0.000 0.000 0.301 430 F C 1.394 177.150 175.800 -0.073 0.000 1.106 430 F CA -0.545 57.367 58.000 -0.145 0.000 1.289 430 F CB -0.407 38.437 39.000 -0.260 0.000 1.006 430 F HN 0.001 nan 8.300 nan 0.000 0.535 431 A N -0.548 122.305 122.820 0.055 0.000 2.406 431 A HA 0.385 4.706 4.320 0.000 0.000 0.243 431 A C 1.484 179.104 177.584 0.060 0.000 1.082 431 A CA 0.905 52.978 52.037 0.059 0.000 0.786 431 A CB -0.081 18.936 19.000 0.028 0.000 1.029 431 A HN 0.429 nan 8.150 nan 0.000 0.495 432 T N -0.730 113.857 114.554 0.055 0.000 5.888 432 T HA -0.157 4.193 4.350 0.000 0.000 0.275 432 T C 0.599 175.334 174.700 0.058 0.000 2.123 432 T CA 2.071 64.199 62.100 0.047 0.000 3.523 432 T CB -1.491 67.398 68.868 0.035 0.000 1.240 432 T HN 1.238 nan 8.240 nan 0.000 1.133 433 T N -0.559 114.039 114.554 0.074 0.000 3.567 433 T HA 0.480 4.830 4.350 0.000 0.000 0.314 433 T C 1.205 175.940 174.700 0.059 0.000 0.942 433 T CA 0.385 62.526 62.100 0.068 0.000 0.997 433 T CB 0.565 69.491 68.868 0.098 0.000 1.205 433 T HN 1.079 nan 8.240 nan 0.000 0.518 434 G N 1.303 110.142 108.800 0.066 0.000 2.184 434 G HA2 -0.054 3.906 3.960 0.000 0.000 0.264 434 G HA3 -0.054 3.906 3.960 0.000 0.000 0.264 434 G C 1.025 175.984 174.900 0.099 0.000 0.975 434 G CA 0.566 45.707 45.100 0.069 0.000 0.642 434 G HN 1.590 nan 8.290 nan 0.000 0.536 435 G N -2.658 106.217 108.800 0.124 0.000 2.148 435 G HA2 0.257 4.217 3.960 0.000 0.000 0.203 435 G HA3 0.257 4.217 3.960 0.000 0.000 0.203 435 G C 0.630 175.628 174.900 0.164 0.000 0.993 435 G CA 1.129 46.328 45.100 0.166 0.000 0.661 435 G HN 2.385 nan 8.290 nan 0.000 0.518 436 V N -3.679 116.254 119.914 0.031 0.000 3.087 436 V HA 0.886 5.006 4.120 0.000 0.000 0.306 436 V C -2.644 173.118 176.094 -0.552 0.000 1.187 436 V CA -2.138 60.038 62.300 -0.206 0.000 0.999 436 V CB 2.299 34.082 31.823 -0.067 0.000 1.049 436 V HN 0.085 nan 8.190 nan 0.000 0.431 437 P HA 0.204 nan 4.420 nan 0.000 0.244 437 P C 0.004 177.130 177.300 -0.290 0.000 1.769 437 P CA 0.122 62.755 63.100 -0.778 0.000 1.102 437 P CB 0.408 31.662 31.700 -0.742 0.000 1.937 438 V N 5.029 124.844 119.914 -0.165 0.000 2.655 438 V HA 0.053 4.173 4.120 0.000 0.000 0.300 438 V C -1.763 174.297 176.094 -0.057 0.000 1.044 438 V CA -1.418 60.825 62.300 -0.094 0.000 1.095 438 V CB -0.165 31.626 31.823 -0.053 0.000 0.952 438 V HN 0.290 nan 8.190 nan 0.000 0.485 439 P HA 0.068 nan 4.420 nan 0.000 0.255 439 P C -0.530 176.764 177.300 -0.010 0.000 1.173 439 P CA 0.772 63.855 63.100 -0.028 0.000 0.780 439 P CB 0.297 31.982 31.700 -0.025 0.000 0.758 440 D N 1.346 121.747 120.400 0.000 0.000 2.867 440 D HA 0.082 4.722 4.640 0.000 0.000 0.308 440 D C 0.260 176.569 176.300 0.015 0.000 1.202 440 D CA -0.272 53.736 54.000 0.013 0.000 1.035 440 D CB 1.260 42.075 40.800 0.026 0.000 1.427 440 D HN 0.126 nan 8.370 nan 0.000 0.570 441 D N -0.886 119.526 120.400 0.020 0.000 2.348 441 D HA 0.081 4.721 4.640 0.000 0.000 0.211 441 D C 1.282 177.594 176.300 0.021 0.000 0.998 441 D CA 0.851 54.862 54.000 0.019 0.000 0.873 441 D CB 0.458 41.270 40.800 0.020 0.000 0.925 441 D HN 0.062 nan 8.370 nan 0.000 0.524 442 R N -1.227 119.290 120.500 0.028 0.000 2.412 442 R HA 0.173 4.513 4.340 0.000 0.000 0.212 442 R C 0.469 176.787 176.300 0.029 0.000 0.878 442 R CA 0.455 56.573 56.100 0.030 0.000 1.022 442 R CB 1.000 31.332 30.300 0.052 0.000 1.265 442 R HN 0.114 nan 8.270 nan 0.000 0.620 443 T N -1.655 112.921 114.554 0.036 0.000 2.887 443 T HA 0.332 4.682 4.350 0.000 0.000 0.292 443 T C -0.500 174.207 174.700 0.012 0.000 1.087 443 T CA -0.639 61.481 62.100 0.033 0.000 1.009 443 T CB 2.616 71.512 68.868 0.046 0.000 1.203 443 T HN -0.055 nan 8.240 nan 0.000 0.518 444 E N 0.692 120.906 120.200 0.024 0.000 3.729 444 E HA 0.370 4.720 4.350 0.000 0.000 0.195 444 E C 0.852 177.449 176.600 -0.005 0.000 1.005 444 E CA -0.025 56.365 56.400 -0.016 0.000 1.356 444 E CB 0.356 30.018 29.700 -0.063 0.000 1.138 444 E HN 1.171 nan 8.360 nan 0.000 0.450 445 G N 1.264 110.059 108.800 -0.008 0.000 2.574 445 G HA2 -0.331 3.629 3.960 0.000 0.000 0.286 445 G HA3 -0.331 3.629 3.960 0.000 0.000 0.286 445 G C 0.238 175.208 174.900 0.118 0.000 1.212 445 G CA 0.494 45.581 45.100 -0.022 0.000 0.979 445 G HN 0.383 nan 8.290 nan 0.000 0.557 446 T N -1.991 112.679 114.554 0.193 0.000 2.671 446 T HA 0.554 4.904 4.350 0.000 0.000 0.300 446 T C -1.905 173.189 174.700 0.658 0.000 1.238 446 T CA 0.227 62.548 62.100 0.368 0.000 1.020 446 T CB 1.416 70.362 68.868 0.130 0.000 1.503 446 T HN 1.403 nan 8.240 nan 0.000 0.497 447 F N 3.788 124.019 119.950 0.468 0.000 2.411 447 F HA 0.433 4.960 4.527 0.000 0.000 0.352 447 F C 1.392 177.380 175.800 0.314 0.000 1.123 447 F CA -2.108 56.096 58.000 0.339 0.000 1.044 447 F CB 0.785 39.649 39.000 -0.227 0.000 1.135 447 F HN 0.521 nan 8.300 nan 0.000 0.461 448 I N 2.013 122.531 120.570 -0.087 0.000 2.830 448 I HA -0.108 4.062 4.170 0.000 0.000 0.263 448 I C 0.760 176.564 176.117 -0.521 0.000 1.230 448 I CA 1.022 62.012 61.300 -0.516 0.000 1.480 448 I CB -0.542 37.214 38.000 -0.407 0.000 1.095 448 I HN 0.426 nan 8.210 nan 0.000 0.455 449 N N 1.060 119.131 118.700 -1.048 0.000 2.521 449 N HA -0.008 4.732 4.740 0.000 0.000 0.188 449 N C -0.467 174.961 175.510 -0.137 0.000 1.146 449 N CA 0.569 53.150 53.050 -0.782 0.000 0.893 449 N CB -0.282 37.493 38.487 -1.186 0.000 0.975 449 N HN 0.621 nan 8.380 nan 0.000 0.451 450 Y N 0.510 120.857 120.300 0.078 0.000 2.658 450 Y HA 0.336 4.886 4.550 0.000 0.000 0.362 450 Y C -2.121 174.009 175.900 0.384 0.000 1.017 450 Y CA -2.430 55.959 58.100 0.482 0.000 1.134 450 Y CB 0.913 39.731 38.460 0.597 0.000 1.144 450 Y HN -0.080 nan 8.280 nan 0.000 0.655 451 P HA 0.005 nan 4.420 nan 0.000 0.269 451 P C -0.535 176.929 177.300 0.272 0.000 1.215 451 P CA 0.245 63.502 63.100 0.261 0.000 0.780 451 P CB 1.372 33.084 31.700 0.020 0.000 0.898 452 D N 1.514 122.083 120.400 0.281 0.000 2.375 452 D HA 0.051 4.691 4.640 0.000 0.000 0.241 452 D C 0.374 176.748 176.300 0.124 0.000 1.361 452 D CA -0.549 53.532 54.000 0.135 0.000 0.995 452 D CB 1.098 41.914 40.800 0.027 0.000 1.312 452 D HN -0.080 nan 8.370 nan 0.000 0.576 453 V N 3.181 123.161 119.914 0.110 0.000 3.078 453 V HA -0.102 4.018 4.120 0.000 0.000 0.265 453 V C 1.031 177.162 176.094 0.061 0.000 1.122 453 V CA 1.383 63.742 62.300 0.098 0.000 1.141 453 V CB -0.051 31.861 31.823 0.148 0.000 0.735 453 V HN 0.454 nan 8.190 nan 0.000 0.498 454 D N -0.151 120.255 120.400 0.010 0.000 2.310 454 D HA -0.063 4.577 4.640 0.000 0.000 0.212 454 D C 1.851 178.170 176.300 0.032 0.000 0.965 454 D CA 0.889 54.881 54.000 -0.014 0.000 0.879 454 D CB -0.069 40.578 40.800 -0.256 0.000 0.921 454 D HN 0.408 nan 8.370 nan 0.000 0.510 455 L N -0.013 121.226 121.223 0.026 0.000 2.552 455 L HA -0.016 4.324 4.340 0.000 0.000 0.227 455 L C 1.401 178.335 176.870 0.107 0.000 1.146 455 L CA 0.283 55.155 54.840 0.053 0.000 0.858 455 L CB 0.241 42.322 42.059 0.038 0.000 0.969 455 L HN -0.068 nan 8.230 nan 0.000 0.451 456 V N -2.155 117.813 119.914 0.091 0.000 3.578 456 V HA 0.069 4.189 4.120 0.000 0.000 0.290 456 V C 0.374 176.532 176.094 0.106 0.000 1.376 456 V CA 0.084 62.438 62.300 0.090 0.000 1.083 456 V CB -0.092 31.718 31.823 -0.021 0.000 0.911 456 V HN 0.260 nan 8.190 nan 0.000 0.433 457 D N 0.826 121.312 120.400 0.142 0.000 2.349 457 D HA 0.165 4.805 4.640 0.000 0.000 0.232 457 D C 0.649 177.058 176.300 0.181 0.000 1.071 457 D CA -0.216 53.889 54.000 0.174 0.000 0.832 457 D CB 1.957 42.919 40.800 0.270 0.000 1.086 457 D HN 0.282 nan 8.370 nan 0.000 0.504 458 E N 2.351 122.622 120.200 0.118 0.000 2.150 458 E HA -0.097 4.253 4.350 0.000 0.000 0.193 458 E C 0.652 177.300 176.600 0.081 0.000 0.985 458 E CA 0.633 57.090 56.400 0.095 0.000 0.814 458 E CB 0.286 30.023 29.700 0.061 0.000 0.752 458 E HN 0.335 nan 8.360 nan 0.000 0.466 459 R N -0.387 120.132 120.500 0.032 0.000 4.464 459 R HA 0.050 4.390 4.340 0.000 0.000 0.229 459 R C -0.314 175.842 176.300 -0.239 0.000 1.916 459 R CA 0.245 56.284 56.100 -0.102 0.000 1.601 459 R CB -0.124 30.077 30.300 -0.165 0.000 1.315 459 R HN 0.271 nan 8.270 nan 0.000 0.725 460 W N -1.895 119.421 121.300 0.026 0.000 4.483 460 W HA 0.118 4.778 4.660 0.000 0.000 0.218 460 W C 0.154 176.696 176.519 0.039 0.000 3.472 460 W CA -0.466 56.898 57.345 0.030 0.000 1.137 460 W CB 0.277 29.755 29.460 0.031 0.000 2.116 460 W HN 0.033 nan 8.180 nan 0.000 0.349 461 N N -0.227 118.716 118.700 0.405 0.000 3.384 461 N HA 0.316 5.056 4.740 0.000 0.000 0.352 461 N C -0.989 174.611 175.510 0.151 0.000 1.466 461 N CA 0.836 54.025 53.050 0.231 0.000 0.629 461 N CB -0.609 37.998 38.487 0.201 0.000 1.810 461 N HN 0.074 nan 8.380 nan 0.000 0.575 462 T N -0.610 114.002 114.554 0.097 0.000 3.032 462 T HA -0.119 4.231 4.350 0.000 0.000 0.453 462 T C -0.815 173.914 174.700 0.048 0.000 0.774 462 T CA 0.144 62.275 62.100 0.053 0.000 2.352 462 T CB -1.967 66.938 68.868 0.062 0.000 1.663 462 T HN 0.371 nan 8.240 nan 0.000 0.599 463 S N 1.773 117.493 115.700 0.034 0.000 2.532 463 S HA 0.642 5.112 4.470 0.000 0.000 0.318 463 S C 1.478 176.085 174.600 0.010 0.000 1.083 463 S CA 0.210 58.429 58.200 0.030 0.000 1.131 463 S CB 1.267 64.490 63.200 0.039 0.000 0.973 463 S HN 1.577 nan 8.310 nan 0.000 0.468 464 G N 2.584 111.387 108.800 0.004 0.000 2.420 464 G HA2 -0.246 3.714 3.960 0.000 0.000 0.221 464 G HA3 -0.246 3.714 3.960 0.000 0.000 0.221 464 G C -0.022 174.856 174.900 -0.038 0.000 1.117 464 G CA -0.073 45.023 45.100 -0.008 0.000 0.657 464 G HN 0.703 nan 8.290 nan 0.000 0.512 465 V N 4.612 124.489 119.914 -0.061 0.000 2.394 465 V HA 0.551 4.671 4.120 0.000 0.000 0.282 465 V C -1.224 174.749 176.094 -0.201 0.000 1.031 465 V CA -1.241 60.985 62.300 -0.125 0.000 0.881 465 V CB 1.513 33.268 31.823 -0.113 0.000 0.982 465 V HN 0.381 nan 8.190 nan 0.000 0.451 466 P HA 0.017 nan 4.420 nan 0.000 0.271 466 P C 0.902 177.833 177.300 -0.616 0.000 1.233 466 P CA -0.313 62.418 63.100 -0.615 0.000 0.789 466 P CB 0.654 31.498 31.700 -1.427 0.000 0.951 467 W N 2.086 123.120 121.300 -0.444 0.000 2.363 467 W HA -0.209 4.451 4.660 0.000 0.000 0.296 467 W C 1.699 178.079 176.519 -0.232 0.000 1.212 467 W CA 1.045 58.238 57.345 -0.254 0.000 1.260 467 W CB -2.064 27.370 29.460 -0.043 0.000 1.131 467 W HN 0.410 nan 8.180 nan 0.000 0.530 468 Y N 1.220 120.727 120.300 -1.321 0.000 2.439 468 Y HA 0.073 4.623 4.550 0.000 0.000 0.292 468 Y C 2.384 177.926 175.900 -0.598 0.000 1.130 468 Y CA 1.526 58.813 58.100 -1.355 0.000 1.254 468 Y CB -1.426 35.547 38.460 -2.479 0.000 1.000 468 Y HN -0.237 nan 8.280 nan 0.000 0.554 469 T N 1.351 115.596 114.554 -0.515 0.000 2.896 469 T HA -0.021 4.329 4.350 0.000 0.000 0.263 469 T C 1.870 176.473 174.700 -0.161 0.000 1.050 469 T CA 1.138 63.112 62.100 -0.209 0.000 1.140 469 T CB -0.389 68.333 68.868 -0.243 0.000 0.877 469 T HN 0.331 nan 8.240 nan 0.000 0.457 470 L N -0.522 120.556 121.223 -0.242 0.000 2.079 470 L HA -0.115 4.225 4.340 0.000 0.000 0.210 470 L C 2.204 178.956 176.870 -0.197 0.000 1.081 470 L CA 1.650 56.346 54.840 -0.240 0.000 0.752 470 L CB -0.402 41.449 42.059 -0.347 0.000 0.896 470 L HN 0.369 nan 8.230 nan 0.000 0.433 471 Y N -2.638 117.555 120.300 -0.179 0.000 2.301 471 Y HA -0.122 4.428 4.550 0.000 0.000 0.295 471 Y C 1.585 177.313 175.900 -0.287 0.000 1.119 471 Y CA 0.500 58.427 58.100 -0.288 0.000 1.162 471 Y CB 0.326 38.459 38.460 -0.545 0.000 1.046 471 Y HN 0.041 nan 8.280 nan 0.000 0.538 472 Y N -0.512 119.918 120.300 0.217 0.000 2.481 472 Y HA 0.218 4.768 4.550 0.000 0.000 0.247 472 Y C 0.756 176.722 175.900 0.110 0.000 1.151 472 Y CA -1.172 57.026 58.100 0.162 0.000 1.238 472 Y CB -0.135 38.455 38.460 0.216 0.000 1.179 472 Y HN -0.090 nan 8.280 nan 0.000 0.524 473 K N -0.530 119.971 120.400 0.168 0.000 1.751 473 K HA -0.269 4.051 4.320 0.000 0.000 0.134 473 K C 1.345 178.046 176.600 0.169 0.000 1.167 473 K CA 1.337 57.693 56.287 0.116 0.000 0.330 473 K CB -1.627 30.920 32.500 0.077 0.000 0.663 473 K HN 0.399 nan 8.250 nan 0.000 0.817 474 G N 0.751 109.646 108.800 0.158 0.000 3.371 474 G HA2 0.025 3.985 3.960 0.000 0.000 0.248 474 G HA3 0.025 3.985 3.960 0.000 0.000 0.248 474 G C 0.513 175.538 174.900 0.208 0.000 1.161 474 G CA 0.045 45.246 45.100 0.168 0.000 0.796 474 G HN 0.304 nan 8.290 nan 0.000 0.539 475 N N -0.276 118.583 118.700 0.265 0.000 2.336 475 N HA 0.029 4.769 4.740 0.000 0.000 0.189 475 N C 1.140 176.802 175.510 0.254 0.000 1.113 475 N CA -0.244 52.983 53.050 0.294 0.000 0.858 475 N CB -0.062 38.603 38.487 0.298 0.000 0.970 475 N HN 0.542 nan 8.380 nan 0.000 0.471 476 Y N 2.179 122.552 120.300 0.122 0.000 2.181 476 Y HA -0.078 4.472 4.550 0.000 0.000 0.288 476 Y C -0.747 175.136 175.900 -0.027 0.000 1.146 476 Y CA 1.330 59.445 58.100 0.024 0.000 1.164 476 Y CB -0.639 37.826 38.460 0.008 0.000 0.982 476 Y HN 0.092 nan 8.280 nan 0.000 0.515 477 P HA -0.222 nan 4.420 nan 0.000 0.215 477 P C 1.298 178.540 177.300 -0.096 0.000 1.157 477 P CA 1.865 64.908 63.100 -0.094 0.000 0.874 477 P CB -0.145 31.552 31.700 -0.005 0.000 0.790 478 R N -0.590 119.901 120.500 -0.016 0.000 2.152 478 R HA -0.046 4.294 4.340 0.000 0.000 0.232 478 R C 2.211 178.550 176.300 0.066 0.000 1.117 478 R CA 0.961 57.061 56.100 -0.000 0.000 0.981 478 R CB -0.789 29.514 30.300 0.004 0.000 0.870 478 R HN 0.257 nan 8.270 nan 0.000 0.451 479 L N 0.179 121.418 121.223 0.026 0.000 2.044 479 L HA -0.169 4.172 4.340 0.000 0.000 0.205 479 L C 2.514 179.381 176.870 -0.005 0.000 1.075 479 L CA 1.240 56.089 54.840 0.015 0.000 0.747 479 L CB -0.371 41.609 42.059 -0.131 0.000 0.903 479 L HN 0.204 nan 8.230 nan 0.000 0.435 480 Q N 0.166 119.834 119.800 -0.219 0.000 2.112 480 Q HA -0.271 4.069 4.340 0.000 0.000 0.206 480 Q C 2.174 178.155 176.000 -0.032 0.000 0.987 480 Q CA 1.660 57.352 55.803 -0.185 0.000 0.858 480 Q CB -0.154 28.381 28.738 -0.337 0.000 0.905 480 Q HN 0.460 nan 8.270 nan 0.000 0.420 481 K N 0.042 120.422 120.400 -0.034 0.000 2.097 481 K HA -0.122 4.198 4.320 0.000 0.000 0.206 481 K C 2.119 178.766 176.600 0.078 0.000 1.049 481 K CA 1.348 57.635 56.287 -0.001 0.000 0.933 481 K CB -0.086 32.398 32.500 -0.027 0.000 0.717 481 K HN 0.036 nan 8.250 nan 0.000 0.442 482 V N 1.838 121.839 119.914 0.145 0.000 2.295 482 V HA -0.260 3.860 4.120 0.000 0.000 0.246 482 V C 2.285 178.614 176.094 0.391 0.000 1.049 482 V CA 1.917 64.392 62.300 0.292 0.000 1.024 482 V CB -0.437 31.413 31.823 0.044 0.000 0.648 482 V HN 0.274 nan 8.190 nan 0.000 0.447 483 K N 1.406 122.037 120.400 0.386 0.000 2.209 483 K HA -0.084 4.236 4.320 0.000 0.000 0.204 483 K C 1.919 178.661 176.600 0.236 0.000 1.048 483 K CA 1.739 58.275 56.287 0.414 0.000 0.940 483 K CB -0.562 32.111 32.500 0.288 0.000 0.729 483 K HN 0.390 nan 8.250 nan 0.000 0.451 484 A N 0.795 123.694 122.820 0.132 0.000 1.897 484 A HA -0.068 4.252 4.320 0.000 0.000 0.215 484 A C 2.123 179.710 177.584 0.005 0.000 1.181 484 A CA 1.372 53.439 52.037 0.050 0.000 0.620 484 A CB -0.382 18.619 19.000 0.001 0.000 0.821 484 A HN 0.356 nan 8.150 nan 0.000 0.443 485 R N -1.850 118.619 120.500 -0.052 0.000 2.073 485 R HA -0.079 4.261 4.340 0.000 0.000 0.229 485 R C 1.735 177.833 176.300 -0.337 0.000 1.120 485 R CA 1.383 57.287 56.100 -0.326 0.000 0.967 485 R CB -0.157 29.726 30.300 -0.695 0.000 0.862 485 R HN 0.728 nan 8.270 nan 0.000 0.436 486 W N -0.541 120.805 121.300 0.076 0.000 3.058 486 W HA 0.146 4.806 4.660 0.000 0.000 0.306 486 W C 0.043 176.649 176.519 0.146 0.000 1.188 486 W CA -0.239 57.166 57.345 0.100 0.000 1.651 486 W CB 0.500 30.022 29.460 0.104 0.000 1.051 486 W HN -0.044 nan 8.180 nan 0.000 0.592 487 D N 0.044 120.639 120.400 0.325 0.000 2.739 487 D HA 0.167 4.807 4.640 0.000 0.000 0.335 487 D C -1.421 174.964 176.300 0.141 0.000 1.216 487 D CA -1.865 52.292 54.000 0.262 0.000 0.808 487 D CB 0.663 41.650 40.800 0.313 0.000 1.121 487 D HN -0.190 nan 8.370 nan 0.000 0.499 488 P HA -0.119 nan 4.420 nan 0.000 0.218 488 P C 0.946 178.262 177.300 0.028 0.000 1.149 488 P CA 0.670 63.793 63.100 0.039 0.000 0.817 488 P CB 0.317 32.024 31.700 0.011 0.000 0.785 489 R N -0.520 119.994 120.500 0.023 0.000 2.320 489 R HA 0.036 4.376 4.340 0.000 0.000 0.211 489 R C 0.195 176.485 176.300 -0.018 0.000 0.931 489 R CA 0.025 56.123 56.100 -0.004 0.000 1.071 489 R CB -0.741 29.546 30.300 -0.022 0.000 1.025 489 R HN 0.029 nan 8.270 nan 0.000 0.495 490 D N 0.523 120.929 120.400 0.010 0.000 2.686 490 D HA -0.140 4.500 4.640 0.000 0.000 0.235 490 D C 0.733 176.991 176.300 -0.069 0.000 1.160 490 D CA 0.286 54.288 54.000 0.003 0.000 0.645 490 D CB -0.846 39.957 40.800 0.006 0.000 1.039 490 D HN 0.000 nan 8.370 nan 0.000 0.423 491 V N -0.590 119.230 119.914 -0.157 0.000 2.427 491 V HA -0.097 4.023 4.120 0.000 0.000 0.248 491 V C 1.342 177.106 176.094 -0.549 0.000 1.051 491 V CA 1.436 63.482 62.300 -0.424 0.000 1.048 491 V CB -0.310 31.101 31.823 -0.686 0.000 0.666 491 V HN 0.321 nan 8.190 nan 0.000 0.456 492 F N 1.195 121.111 119.950 -0.056 0.000 2.350 492 F HA 0.594 5.121 4.527 0.000 0.000 0.365 492 F C 0.428 176.122 175.800 -0.176 0.000 1.122 492 F CA -0.175 57.753 58.000 -0.121 0.000 1.139 492 F CB 0.429 39.342 39.000 -0.145 0.000 1.220 492 F HN -0.042 nan 8.300 nan 0.000 0.499 493 R N 2.492 122.972 120.500 -0.034 0.000 2.774 493 R HA 0.584 4.924 4.340 0.000 0.000 0.272 493 R C -1.871 174.439 176.300 0.015 0.000 1.000 493 R CA -0.752 55.317 56.100 -0.051 0.000 0.906 493 R CB 2.016 32.297 30.300 -0.032 0.000 1.227 493 R HN 0.766 nan 8.270 nan 0.000 0.468 494 H N 0.282 119.243 119.070 -0.181 0.000 3.085 494 H HA 0.262 4.818 4.556 0.000 0.000 0.356 494 H C 0.019 175.035 175.328 -0.520 0.000 1.178 494 H CA -0.135 55.687 56.048 -0.376 0.000 1.214 494 H CB 2.452 32.022 29.762 -0.320 0.000 1.881 494 H HN 0.798 nan 8.280 nan 0.000 0.538 495 A N 2.658 124.973 122.820 -0.842 0.000 2.024 495 A HA -0.107 4.213 4.320 0.000 0.000 0.220 495 A C 0.873 178.074 177.584 -0.639 0.000 1.164 495 A CA 1.382 53.011 52.037 -0.680 0.000 0.643 495 A CB -0.048 18.537 19.000 -0.691 0.000 0.806 495 A HN 0.304 nan 8.150 nan 0.000 0.451 496 L N 0.198 120.995 121.223 -0.711 0.000 3.108 496 L HA 0.334 4.674 4.340 0.000 0.000 0.251 496 L C 0.502 177.184 176.870 -0.314 0.000 1.315 496 L CA -0.116 54.316 54.840 -0.679 0.000 1.048 496 L CB -0.357 41.447 42.059 -0.425 0.000 1.432 496 L HN 0.089 nan 8.230 nan 0.000 0.543 497 S N 0.204 115.838 115.700 -0.110 0.000 2.528 497 S HA 0.352 4.822 4.470 0.000 0.000 0.277 497 S C 0.420 175.239 174.600 0.365 0.000 1.297 497 S CA -0.586 57.684 58.200 0.117 0.000 1.052 497 S CB 0.829 64.051 63.200 0.038 0.000 0.917 497 S HN 0.252 nan 8.310 nan 0.000 0.492 498 V N 4.589 124.729 119.914 0.376 0.000 2.694 498 V HA 0.329 4.449 4.120 0.000 0.000 0.306 498 V C 0.048 176.280 176.094 0.231 0.000 1.054 498 V CA -0.113 62.438 62.300 0.419 0.000 1.161 498 V CB -0.139 31.776 31.823 0.154 0.000 0.916 498 V HN 0.826 nan 8.190 nan 0.000 0.490 499 R N 5.116 125.757 120.500 0.236 0.000 2.589 499 R HA 0.594 4.934 4.340 0.000 0.000 0.293 499 R C -2.599 173.712 176.300 0.019 0.000 0.963 499 R CA -2.091 54.096 56.100 0.145 0.000 0.905 499 R CB 1.492 31.929 30.300 0.229 0.000 1.144 499 R HN 0.572 nan 8.270 nan 0.000 0.459 500 P HA 0.082 nan 4.420 nan 0.000 0.271 500 P C -2.361 174.929 177.300 -0.016 0.000 1.244 500 P CA -0.931 62.169 63.100 0.001 0.000 0.793 500 P CB -0.212 31.502 31.700 0.022 0.000 0.984 501 P HA 0.000 nan 4.420 nan 0.000 0.216 501 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 501 P CB 0.000 31.677 31.700 -0.038 0.000 0.726