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 1l1l_1_D DATA FIRST_RESID 4 DATA SEQUENCE EISLSAEFID RVKASVKPHW GKLGWVTYKR TYARWLPEKG RSENWDETVK DATA SEQUENCE RVVEGNINLD PRLQDSPSLE LKQSLTEEAE RLYKLIYGLG ATPSGRNLWI DATA SEQUENCE SGTDYQRRTG DSLNNcWFVA IRPQKYGDSK IVPSYLGKQE KAVSMPFSFL DATA SEQUENCE FDELMKGGGV GFSVARSNIS QIPRVDFAID LQLVVDETSE SYDASVKVGA DATA SEQUENCE VGKNELVQDA DSIYYRLPDT REGWVLANAL LIDLHFAQTN PDRKQKLILD DATA SEQUENCE LSDIRPYGAE IHGFGGTASG PMPLISMLLD VNEVLNNKAG GRLTAVDAAD DATA SEQUENCE ICNLIGKAVV AGNXXXXAEL ALGSNDDQDF ISMKQDQEKL MHHRWASNNS DATA SEQUENCE VAVDSAFSGY QPIAAGIREN GEPGIVNLDL SKNYGRIVDG YQAGIDGDVE DATA SEQUENCE GTNPCGEISL ANGEPcNLFE VFPLIAEEQG WDLQEVFALA ARYAKRVTFS DATA SEQUENCE PYDWEISREI IQKNRRIGIS MSGIQDWLLT RLGNRVVTGF KDDFDPETHE DATA SEQUENCE AIKVPVYDKR AIKMVDQLYK AVVKADQDYS KTLGCNESIK HTTVKPSGTV DATA SEQUENCE AKLAGASEGM HFHYGAYLIQ RIRFQDSDPL LPALKACGYR TEADIYTENT DATA SEQUENCE TCVEFPIKAV GADNPNFASA GTVSIAEQFA TQAFLQTYWS DNAVSCTITF DATA SEQUENCE QDSEGDQVES LLRQYRFITK STSLLPYFGG SLQQAPKEPI DKETYEKRSQ DATA SEQUENCE EITGNVEEVF SQLNSDVKDL E 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.579 176.600 -0.035 0.000 1.382 4 E CA 0.000 56.382 56.400 -0.031 0.000 0.976 4 E CB 0.000 29.685 29.700 -0.026 0.000 0.812 5 I N 1.811 122.357 120.570 -0.039 0.000 2.412 5 I HA 0.804 5.522 4.170 0.913 0.000 0.296 5 I C 0.593 176.684 176.117 -0.044 0.000 0.987 5 I CA -0.851 60.422 61.300 -0.047 0.000 1.180 5 I CB 0.922 38.890 38.000 -0.053 0.000 1.340 5 I HN 0.903 nan 8.210 nan 0.000 0.455 6 S N 6.000 121.667 115.700 -0.054 0.000 2.618 6 S HA 0.771 5.789 4.470 0.913 0.000 0.277 6 S C -1.023 173.531 174.600 -0.077 0.000 1.138 6 S CA -0.951 57.219 58.200 -0.050 0.000 0.844 6 S CB 2.039 65.217 63.200 -0.036 0.000 1.127 6 S HN 0.399 nan 8.310 nan 0.000 0.474 7 L N 2.779 123.959 121.223 -0.072 0.000 2.282 7 L HA 0.521 5.409 4.340 0.913 0.000 0.288 7 L C 0.655 177.503 176.870 -0.037 0.000 1.033 7 L CA -0.715 54.066 54.840 -0.098 0.000 0.807 7 L CB 1.777 43.777 42.059 -0.098 0.000 1.209 7 L HN 0.953 nan 8.230 nan 0.000 0.423 8 S N 1.853 117.540 115.700 -0.021 0.000 2.560 8 S HA 0.184 5.202 4.470 0.913 0.000 0.284 8 S C 1.194 175.813 174.600 0.030 0.000 1.327 8 S CA -0.115 58.090 58.200 0.009 0.000 1.055 8 S CB 1.562 64.772 63.200 0.016 0.000 0.868 8 S HN 0.725 nan 8.310 nan 0.000 0.506 9 A N 1.823 124.643 122.820 -0.001 0.000 2.070 9 A HA -0.032 4.836 4.320 0.913 0.000 0.220 9 A C 2.049 179.616 177.584 -0.029 0.000 1.159 9 A CA 1.525 53.549 52.037 -0.022 0.000 0.656 9 A CB -0.872 18.116 19.000 -0.019 0.000 0.800 9 A HN 0.962 nan 8.150 nan 0.000 0.453 10 E N -0.815 119.385 120.200 0.000 0.000 2.047 10 E HA -0.139 4.759 4.350 0.913 0.000 0.191 10 E C 1.583 178.176 176.600 -0.013 0.000 0.987 10 E CA 1.426 57.824 56.400 -0.003 0.000 0.799 10 E CB -0.345 29.366 29.700 0.017 0.000 0.752 10 E HN 0.610 nan 8.360 nan 0.000 0.449 11 F N 1.021 120.906 119.950 -0.108 0.000 2.069 11 F HA -0.199 4.876 4.527 0.912 0.000 0.298 11 F C 1.892 177.578 175.800 -0.190 0.000 1.113 11 F CA 1.685 59.604 58.000 -0.135 0.000 1.214 11 F CB -0.429 38.477 39.000 -0.157 0.000 0.978 11 F HN 0.027 nan 8.300 nan 0.000 0.474 12 I N 0.470 120.766 120.570 -0.457 0.000 2.194 12 I HA -0.330 4.388 4.170 0.913 0.000 0.246 12 I C 1.977 177.827 176.117 -0.445 0.000 1.093 12 I CA 1.766 62.683 61.300 -0.637 0.000 1.355 12 I CB -0.682 37.094 38.000 -0.374 0.000 1.046 12 I HN 0.210 nan 8.210 nan 0.000 0.413 13 D N 0.501 120.745 120.400 -0.259 0.000 2.219 13 D HA -0.117 5.071 4.640 0.913 0.000 0.205 13 D C 2.298 178.488 176.300 -0.183 0.000 0.970 13 D CA 0.911 54.810 54.000 -0.167 0.000 0.851 13 D CB -0.055 40.691 40.800 -0.089 0.000 0.943 13 D HN 0.289 nan 8.370 nan 0.000 0.488 14 R N 0.047 120.399 120.500 -0.246 0.000 2.092 14 R HA -0.050 4.838 4.340 0.913 0.000 0.231 14 R C 2.365 178.522 176.300 -0.239 0.000 1.119 14 R CA 0.553 56.531 56.100 -0.204 0.000 0.970 14 R CB -0.163 30.028 30.300 -0.181 0.000 0.864 14 R HN 0.043 nan 8.270 nan 0.000 0.440 15 V N 1.054 120.714 119.914 -0.424 0.000 2.488 15 V HA -0.168 4.500 4.120 0.913 0.000 0.246 15 V C 1.857 177.834 176.094 -0.195 0.000 1.046 15 V CA 1.509 63.606 62.300 -0.338 0.000 1.053 15 V CB -0.307 31.204 31.823 -0.519 0.000 0.679 15 V HN 0.261 nan 8.190 nan 0.000 0.458 16 K N 0.631 120.887 120.400 -0.240 0.000 2.209 16 K HA -0.083 4.785 4.320 0.913 0.000 0.204 16 K C 1.901 178.544 176.600 0.070 0.000 1.048 16 K CA 1.461 57.718 56.287 -0.050 0.000 0.940 16 K CB -0.222 32.260 32.500 -0.030 0.000 0.729 16 K HN 0.489 nan 8.250 nan 0.000 0.451 17 A N 0.607 123.430 122.820 0.006 0.000 2.267 17 A HA 0.025 4.893 4.320 0.913 0.000 0.213 17 A C 1.719 179.324 177.584 0.036 0.000 1.192 17 A CA 0.519 52.573 52.037 0.029 0.000 0.851 17 A CB 0.178 19.178 19.000 0.001 0.000 0.881 17 A HN 0.265 nan 8.150 nan 0.000 0.494 18 S N -1.881 113.840 115.700 0.035 0.000 2.559 18 S HA 0.380 5.398 4.470 0.913 0.000 0.226 18 S C 0.013 174.664 174.600 0.086 0.000 1.030 18 S CA 0.005 58.229 58.200 0.040 0.000 0.956 18 S CB 0.221 63.423 63.200 0.004 0.000 0.900 18 S HN 0.078 nan 8.310 nan 0.000 0.510 19 V N 2.267 122.276 119.914 0.159 0.000 2.588 19 V HA 0.523 5.191 4.120 0.913 0.000 0.304 19 V C -0.674 175.594 176.094 0.289 0.000 1.042 19 V CA -0.789 61.655 62.300 0.241 0.000 0.877 19 V CB 1.957 33.997 31.823 0.363 0.000 0.996 19 V HN 0.334 nan 8.190 nan 0.000 0.425 20 K N 5.627 126.122 120.400 0.158 0.000 2.367 20 K HA 0.496 5.364 4.320 0.913 0.000 0.263 20 K C -2.743 173.820 176.600 -0.060 0.000 1.000 20 K CA -1.923 54.413 56.287 0.081 0.000 0.891 20 K CB 1.832 34.373 32.500 0.068 0.000 1.117 20 K HN 0.353 nan 8.250 nan 0.000 0.443 21 P HA -0.109 nan 4.420 nan 0.000 0.260 21 P C -0.895 176.090 177.300 -0.525 0.000 1.185 21 P CA 0.192 62.920 63.100 -0.620 0.000 0.763 21 P CB 0.206 31.252 31.700 -1.091 0.000 0.776 22 H N 4.581 123.361 119.070 -0.483 0.000 3.220 22 H HA 0.057 5.161 4.556 0.913 0.000 0.225 22 H C -0.372 174.762 175.328 -0.323 0.000 1.869 22 H CA -0.383 55.489 56.048 -0.293 0.000 1.428 22 H CB -0.576 29.065 29.762 -0.201 0.000 1.792 22 H HN 0.413 nan 8.280 nan 0.000 0.595 23 W N 1.745 122.942 121.300 -0.172 0.000 2.181 23 W HA 0.265 5.472 4.660 0.911 0.000 0.335 23 W C 1.194 177.651 176.519 -0.104 0.000 1.310 23 W CA -0.146 57.115 57.345 -0.140 0.000 1.226 23 W CB 0.755 30.157 29.460 -0.096 0.000 1.155 23 W HN 0.472 nan 8.180 nan 0.000 0.565 24 G N 1.696 110.629 108.800 0.223 0.000 2.588 24 G HA2 0.100 4.608 3.960 0.913 0.000 0.281 24 G HA3 0.100 4.608 3.960 0.913 0.000 0.281 24 G C 0.625 175.621 174.900 0.160 0.000 1.236 24 G CA -0.647 44.536 45.100 0.138 0.000 0.969 24 G HN 0.397 nan 8.290 nan 0.000 0.504 25 K N -0.618 119.873 120.400 0.152 0.000 2.515 25 K HA 0.055 4.923 4.320 0.913 0.000 0.196 25 K C 1.653 178.369 176.600 0.194 0.000 1.038 25 K CA 0.593 57.010 56.287 0.216 0.000 0.967 25 K CB -0.121 32.540 32.500 0.268 0.000 0.780 25 K HN 0.372 nan 8.250 nan 0.000 0.483 26 L N -1.885 119.360 121.223 0.037 0.000 2.920 26 L HA 0.201 5.089 4.340 0.913 0.000 0.257 26 L C 1.898 178.719 176.870 -0.080 0.000 1.150 26 L CA 0.023 54.750 54.840 -0.188 0.000 0.959 26 L CB 0.228 42.102 42.059 -0.308 0.000 1.321 26 L HN 0.020 nan 8.230 nan 0.000 0.555 27 G N 0.761 109.602 108.800 0.068 0.000 2.806 27 G HA2 -0.363 4.145 3.960 0.913 0.000 0.214 27 G HA3 -0.363 4.145 3.960 0.913 0.000 0.214 27 G C 1.093 176.013 174.900 0.033 0.000 1.331 27 G CA 1.214 46.431 45.100 0.195 0.000 0.807 27 G HN 0.482 nan 8.290 nan 0.000 0.644 28 W N 0.915 121.905 121.300 -0.516 0.000 2.305 28 W HA -0.197 5.013 4.660 0.916 0.000 0.308 28 W C 2.706 178.991 176.519 -0.390 0.000 1.226 28 W CA 2.555 59.282 57.345 -1.031 0.000 1.253 28 W CB -0.565 28.190 29.460 -1.176 0.000 1.146 28 W HN 0.062 nan 8.180 nan 0.000 0.507 29 V N 0.146 119.930 119.914 -0.217 0.000 2.343 29 V HA -0.366 4.302 4.120 0.913 0.000 0.247 29 V C 2.241 178.085 176.094 -0.416 0.000 1.051 29 V CA 2.499 64.604 62.300 -0.326 0.000 1.036 29 V CB -1.444 30.362 31.823 -0.028 0.000 0.654 29 V HN 0.239 nan 8.190 nan 0.000 0.451 30 T N -0.745 113.634 114.554 -0.292 0.000 2.746 30 T HA -0.236 4.662 4.350 0.913 0.000 0.267 30 T C 1.747 176.294 174.700 -0.255 0.000 1.039 30 T CA 2.100 64.046 62.100 -0.257 0.000 1.142 30 T CB -0.379 68.406 68.868 -0.139 0.000 0.866 30 T HN 0.636 nan 8.240 nan 0.000 0.444 31 Y N 2.241 122.363 120.300 -0.296 0.000 2.145 31 Y HA -0.098 5.000 4.550 0.913 0.000 0.286 31 Y C 2.209 177.949 175.900 -0.266 0.000 1.145 31 Y CA 1.258 59.275 58.100 -0.139 0.000 1.148 31 Y CB -0.264 38.119 38.460 -0.128 0.000 0.981 31 Y HN -0.121 nan 8.280 nan 0.000 0.507 32 K N 0.916 120.739 120.400 -0.961 0.000 2.097 32 K HA -0.140 4.727 4.320 0.913 0.000 0.206 32 K C 1.802 178.063 176.600 -0.564 0.000 1.049 32 K CA 1.834 57.551 56.287 -0.950 0.000 0.933 32 K CB -0.294 31.507 32.500 -1.164 0.000 0.717 32 K HN 0.626 nan 8.250 nan 0.000 0.442 33 R N -0.679 119.530 120.500 -0.486 0.000 2.427 33 R HA 0.165 5.053 4.340 0.913 0.000 0.262 33 R C 0.529 176.589 176.300 -0.399 0.000 0.943 33 R CA 0.305 56.184 56.100 -0.368 0.000 1.081 33 R CB 0.383 30.473 30.300 -0.351 0.000 1.166 33 R HN -0.125 nan 8.270 nan 0.000 0.534 34 T N -1.190 113.081 114.554 -0.473 0.000 3.254 34 T HA 0.155 5.053 4.350 0.913 0.000 0.267 34 T C 0.618 174.986 174.700 -0.553 0.000 0.946 34 T CA 0.151 61.851 62.100 -0.666 0.000 0.991 34 T CB 0.011 68.286 68.868 -0.989 0.000 1.205 34 T HN 0.240 nan 8.240 nan 0.000 0.494 35 Y N 1.141 121.505 120.300 0.106 0.000 2.426 35 Y HA 0.659 5.755 4.550 0.909 0.000 0.249 35 Y C 1.157 177.285 175.900 0.381 0.000 1.103 35 Y CA -0.790 57.567 58.100 0.429 0.000 1.256 35 Y CB 0.620 39.399 38.460 0.533 0.000 1.208 35 Y HN 0.121 nan 8.280 nan 0.000 0.519 36 A N 2.023 124.871 122.820 0.047 0.000 2.404 36 A HA 0.386 5.254 4.320 0.913 0.000 0.273 36 A C 0.111 177.811 177.584 0.194 0.000 1.144 36 A CA -0.419 51.619 52.037 0.002 0.000 0.806 36 A CB 0.044 18.807 19.000 -0.395 0.000 1.080 36 A HN 0.331 nan 8.150 nan 0.000 0.509 37 R N 1.796 122.357 120.500 0.102 0.000 2.500 37 R HA 0.161 5.049 4.340 0.913 0.000 0.275 37 R C -0.182 176.213 176.300 0.157 0.000 1.051 37 R CA -0.449 55.636 56.100 -0.024 0.000 1.088 37 R CB 1.076 31.219 30.300 -0.263 0.000 1.063 37 R HN 0.885 nan 8.270 nan 0.000 0.511 38 W N 4.640 125.942 121.300 0.002 0.000 2.190 38 W HA 0.155 5.358 4.660 0.906 0.000 0.330 38 W C -1.162 175.370 176.519 0.022 0.000 1.299 38 W CA -0.323 57.045 57.345 0.039 0.000 1.215 38 W CB 0.552 30.045 29.460 0.056 0.000 1.147 38 W HN 0.377 nan 8.180 nan 0.000 0.563 39 L N 8.936 129.750 121.223 -0.682 0.000 2.337 39 L HA 0.180 5.068 4.340 0.913 0.000 0.269 39 L C -1.545 174.909 176.870 -0.694 0.000 1.018 39 L CA -1.950 52.589 54.840 -0.502 0.000 0.876 39 L CB 1.228 43.087 42.059 -0.334 0.000 1.236 39 L HN 0.232 nan 8.230 nan 0.000 0.436 40 P HA -0.233 nan 4.420 nan 0.000 0.216 40 P C 1.196 178.415 177.300 -0.136 0.000 1.167 40 P CA 1.402 64.420 63.100 -0.137 0.000 0.914 40 P CB 0.333 32.046 31.700 0.022 0.000 0.793 41 E N 0.065 120.197 120.200 -0.114 0.000 2.038 41 E HA -0.192 4.705 4.350 0.913 0.000 0.195 41 E C 1.751 178.285 176.600 -0.110 0.000 1.000 41 E CA 1.424 57.776 56.400 -0.080 0.000 0.803 41 E CB -0.717 28.948 29.700 -0.058 0.000 0.750 41 E HN 0.403 nan 8.360 nan 0.000 0.448 42 K N -0.309 119.989 120.400 -0.169 0.000 2.486 42 K HA 0.037 4.905 4.320 0.913 0.000 0.194 42 K C 1.080 177.545 176.600 -0.225 0.000 1.033 42 K CA 0.513 56.701 56.287 -0.165 0.000 1.004 42 K CB 0.056 32.465 32.500 -0.152 0.000 0.798 42 K HN 0.281 nan 8.250 nan 0.000 0.495 43 G N 2.737 111.334 108.800 -0.339 0.000 2.187 43 G HA2 -0.345 4.162 3.960 0.913 0.000 0.261 43 G HA3 -0.345 4.162 3.960 0.913 0.000 0.261 43 G C -0.058 174.515 174.900 -0.545 0.000 1.000 43 G CA 1.186 46.092 45.100 -0.322 0.000 0.718 43 G HN 0.505 nan 8.290 nan 0.000 0.519 44 R N -1.754 118.238 120.500 -0.847 0.000 2.831 44 R HA 0.787 5.675 4.340 0.913 0.000 0.266 44 R C 0.200 176.156 176.300 -0.574 0.000 1.051 44 R CA -0.233 55.548 56.100 -0.530 0.000 0.943 44 R CB 0.626 30.859 30.300 -0.113 0.000 1.228 44 R HN 0.562 nan 8.270 nan 0.000 0.467 45 S N -0.466 115.270 115.700 0.059 0.000 2.672 45 S HA 0.263 5.281 4.470 0.913 0.000 0.276 45 S C -0.102 174.588 174.600 0.150 0.000 1.207 45 S CA -0.942 57.378 58.200 0.201 0.000 1.002 45 S CB 1.111 64.532 63.200 0.368 0.000 0.998 45 S HN 0.627 nan 8.310 nan 0.000 0.542 46 E N 0.855 121.157 120.200 0.170 0.000 2.425 46 E HA 0.146 5.044 4.350 0.913 0.000 0.258 46 E C -0.223 176.624 176.600 0.412 0.000 1.151 46 E CA -0.062 56.485 56.400 0.245 0.000 0.958 46 E CB 0.302 30.169 29.700 0.278 0.000 0.968 46 E HN 0.520 nan 8.360 nan 0.000 0.451 47 N N 0.541 119.516 118.700 0.459 0.000 2.404 47 N HA 0.028 5.316 4.740 0.913 0.000 0.297 47 N C 0.228 176.135 175.510 0.662 0.000 1.163 47 N CA -0.529 52.886 53.050 0.609 0.000 0.864 47 N CB 0.807 39.566 38.487 0.452 0.000 1.247 47 N HN 0.674 nan 8.380 nan 0.000 0.510 48 W N 1.852 123.405 121.300 0.422 0.000 2.290 48 W HA -0.335 4.872 4.660 0.912 0.000 0.318 48 W C 1.050 177.744 176.519 0.291 0.000 1.248 48 W CA 2.522 59.956 57.345 0.149 0.000 1.263 48 W CB 0.099 29.677 29.460 0.196 0.000 1.147 48 W HN 0.733 nan 8.180 nan 0.000 0.494 49 D N -0.580 120.074 120.400 0.424 0.000 2.182 49 D HA -0.273 4.915 4.640 0.913 0.000 0.201 49 D C 1.549 177.972 176.300 0.205 0.000 0.986 49 D CA 2.010 56.189 54.000 0.298 0.000 0.847 49 D CB -0.859 40.118 40.800 0.295 0.000 0.942 49 D HN 0.327 nan 8.370 nan 0.000 0.467 50 E N -0.386 119.934 120.200 0.200 0.000 2.076 50 E HA -0.071 4.826 4.350 0.913 0.000 0.190 50 E C 2.050 178.720 176.600 0.116 0.000 0.979 50 E CA 1.280 57.774 56.400 0.157 0.000 0.807 50 E CB -0.065 29.733 29.700 0.164 0.000 0.761 50 E HN 0.269 nan 8.360 nan 0.000 0.454 51 T N 1.048 115.671 114.554 0.117 0.000 2.674 51 T HA -0.136 4.762 4.350 0.913 0.000 0.265 51 T C 2.132 176.765 174.700 -0.113 0.000 1.039 51 T CA 1.237 63.378 62.100 0.068 0.000 1.150 51 T CB -0.229 68.778 68.868 0.232 0.000 0.864 51 T HN -0.030 nan 8.240 nan 0.000 0.427 52 V N 1.871 121.551 119.914 -0.389 0.000 2.407 52 V HA -0.190 4.478 4.120 0.913 0.000 0.248 52 V C 2.479 178.578 176.094 0.008 0.000 1.055 52 V CA 1.717 63.749 62.300 -0.447 0.000 1.049 52 V CB -0.627 30.601 31.823 -0.993 0.000 0.662 52 V HN 0.476 nan 8.190 nan 0.000 0.455 53 K N 1.115 121.670 120.400 0.259 0.000 2.032 53 K HA -0.261 4.607 4.320 0.913 0.000 0.209 53 K C 2.438 179.123 176.600 0.142 0.000 1.048 53 K CA 2.140 58.609 56.287 0.303 0.000 0.927 53 K CB -0.190 32.423 32.500 0.188 0.000 0.712 53 K HN 0.616 nan 8.250 nan 0.000 0.441 54 R N 0.049 120.601 120.500 0.086 0.000 2.090 54 R HA -0.037 4.850 4.340 0.913 0.000 0.228 54 R C 2.068 178.405 176.300 0.061 0.000 1.110 54 R CA 1.256 57.390 56.100 0.056 0.000 0.973 54 R CB -0.775 29.547 30.300 0.036 0.000 0.869 54 R HN -0.021 nan 8.270 nan 0.000 0.440 55 V N 1.398 121.349 119.914 0.061 0.000 2.332 55 V HA -0.216 4.452 4.120 0.913 0.000 0.248 55 V C 2.441 178.622 176.094 0.145 0.000 1.055 55 V CA 1.712 64.068 62.300 0.093 0.000 1.038 55 V CB -0.160 31.695 31.823 0.054 0.000 0.651 55 V HN 0.233 nan 8.190 nan 0.000 0.450 56 V N -0.337 119.664 119.914 0.144 0.000 2.453 56 V HA -0.201 4.467 4.120 0.913 0.000 0.247 56 V C 2.352 178.503 176.094 0.095 0.000 1.048 56 V CA 1.841 64.245 62.300 0.173 0.000 1.049 56 V CB -0.558 31.399 31.823 0.223 0.000 0.672 56 V HN 0.627 nan 8.190 nan 0.000 0.457 57 E N 0.415 120.658 120.200 0.072 0.000 2.107 57 E HA -0.107 4.791 4.350 0.913 0.000 0.191 57 E C 2.328 178.931 176.600 0.005 0.000 0.982 57 E CA 1.105 57.520 56.400 0.025 0.000 0.809 57 E CB -0.442 29.270 29.700 0.020 0.000 0.756 57 E HN 0.629 nan 8.360 nan 0.000 0.459 58 G N 1.574 110.384 108.800 0.016 0.000 2.432 58 G HA2 -0.291 4.217 3.960 0.913 0.000 0.219 58 G HA3 -0.291 4.217 3.960 0.913 0.000 0.219 58 G C 1.433 176.308 174.900 -0.041 0.000 1.135 58 G CA 0.696 45.794 45.100 -0.002 0.000 0.767 58 G HN 0.171 nan 8.290 nan 0.000 0.550 59 N N 0.351 119.010 118.700 -0.069 0.000 2.305 59 N HA -0.043 5.245 4.740 0.913 0.000 0.179 59 N C 2.180 177.584 175.510 -0.177 0.000 1.019 59 N CA 0.673 53.591 53.050 -0.220 0.000 0.869 59 N CB -0.020 38.172 38.487 -0.492 0.000 1.000 59 N HN 0.204 nan 8.380 nan 0.000 0.431 60 I N 2.295 122.804 120.570 -0.101 0.000 2.361 60 I HA -0.136 4.582 4.170 0.913 0.000 0.251 60 I C 1.276 177.349 176.117 -0.072 0.000 1.133 60 I CA 1.141 62.395 61.300 -0.077 0.000 1.413 60 I CB -0.494 37.478 38.000 -0.046 0.000 1.073 60 I HN 0.118 nan 8.210 nan 0.000 0.424 61 N N 0.189 118.850 118.700 -0.064 0.000 2.521 61 N HA 0.030 5.317 4.740 0.913 0.000 0.188 61 N C 1.466 176.937 175.510 -0.066 0.000 1.146 61 N CA 0.487 53.503 53.050 -0.058 0.000 0.893 61 N CB 0.053 38.515 38.487 -0.042 0.000 0.975 61 N HN 0.424 nan 8.380 nan 0.000 0.451 62 L N -0.189 120.985 121.223 -0.082 0.000 2.558 62 L HA 0.075 4.963 4.340 0.913 0.000 0.225 62 L C 0.783 177.562 176.870 -0.152 0.000 1.128 62 L CA 0.079 54.874 54.840 -0.076 0.000 0.868 62 L CB 0.027 42.051 42.059 -0.057 0.000 1.006 62 L HN -0.014 nan 8.230 nan 0.000 0.454 63 D N 1.889 122.188 120.400 -0.168 0.000 2.401 63 D HA -0.006 5.182 4.640 0.913 0.000 0.254 63 D C -1.410 174.725 176.300 -0.276 0.000 1.192 63 D CA -1.307 52.539 54.000 -0.258 0.000 0.885 63 D CB 1.594 42.319 40.800 -0.125 0.000 1.147 63 D HN 0.006 nan 8.370 nan 0.000 0.478 64 P HA -0.148 nan 4.420 nan 0.000 0.219 64 P C 0.955 178.160 177.300 -0.159 0.000 1.146 64 P CA 0.838 63.773 63.100 -0.276 0.000 0.808 64 P CB 0.228 31.712 31.700 -0.360 0.000 0.779 65 R N -0.546 119.854 120.500 -0.167 0.000 2.285 65 R HA 0.072 4.960 4.340 0.913 0.000 0.213 65 R C 2.314 178.571 176.300 -0.071 0.000 1.068 65 R CA 0.535 56.575 56.100 -0.100 0.000 1.004 65 R CB -0.566 29.681 30.300 -0.088 0.000 0.873 65 R HN 0.296 nan 8.270 nan 0.000 0.467 66 L N 0.197 121.374 121.223 -0.078 0.000 2.418 66 L HA -0.065 4.823 4.340 0.913 0.000 0.218 66 L C 2.025 178.869 176.870 -0.044 0.000 1.125 66 L CA 0.574 55.380 54.840 -0.057 0.000 0.835 66 L CB -0.099 41.925 42.059 -0.060 0.000 0.953 66 L HN 0.131 nan 8.230 nan 0.000 0.454 67 Q N -0.269 119.505 119.800 -0.043 0.000 2.250 67 Q HA 0.002 4.890 4.340 0.913 0.000 0.200 67 Q C 0.261 176.248 176.000 -0.022 0.000 0.941 67 Q CA 0.839 56.626 55.803 -0.027 0.000 0.872 67 Q CB 0.129 28.856 28.738 -0.018 0.000 0.965 67 Q HN 0.447 nan 8.270 nan 0.000 0.480 68 D N 1.683 122.068 120.400 -0.025 0.000 2.767 68 D HA 0.128 5.316 4.640 0.913 0.000 0.241 68 D C -0.660 175.627 176.300 -0.021 0.000 1.187 68 D CA -0.108 53.881 54.000 -0.019 0.000 0.999 68 D CB 0.188 40.977 40.800 -0.018 0.000 1.042 68 D HN -0.152 nan 8.370 nan 0.000 0.510 69 S N 2.211 117.899 115.700 -0.019 0.000 3.580 69 S HA -0.114 4.903 4.470 0.913 0.000 0.472 69 S C -2.137 172.450 174.600 -0.022 0.000 0.730 69 S CA -0.261 57.928 58.200 -0.019 0.000 1.324 69 S CB -0.330 62.861 63.200 -0.015 0.000 1.439 69 S HN 0.427 nan 8.310 nan 0.000 0.676 70 P HA 0.510 nan 4.420 nan 0.000 0.293 70 P C -0.331 176.956 177.300 -0.022 0.000 1.291 70 P CA -0.802 62.283 63.100 -0.026 0.000 0.867 70 P CB 1.525 33.207 31.700 -0.030 0.000 1.074 71 S N 1.796 117.483 115.700 -0.021 0.000 2.632 71 S HA 0.095 5.113 4.470 0.913 0.000 0.267 71 S C 1.301 175.889 174.600 -0.020 0.000 1.276 71 S CA -0.623 57.566 58.200 -0.018 0.000 0.998 71 S CB 0.340 63.531 63.200 -0.016 0.000 0.953 71 S HN 0.406 nan 8.310 nan 0.000 0.547 72 L N 0.750 121.962 121.223 -0.018 0.000 2.042 72 L HA -0.067 4.820 4.340 0.913 0.000 0.210 72 L C 2.519 179.376 176.870 -0.022 0.000 1.076 72 L CA 2.256 57.084 54.840 -0.020 0.000 0.749 72 L CB -1.166 40.883 42.059 -0.017 0.000 0.893 72 L HN 0.977 nan 8.230 nan 0.000 0.432 73 E N -0.305 119.884 120.200 -0.019 0.000 2.072 73 E HA -0.232 4.665 4.350 0.913 0.000 0.191 73 E C 2.197 178.784 176.600 -0.022 0.000 0.985 73 E CA 1.575 57.964 56.400 -0.019 0.000 0.801 73 E CB -0.335 29.356 29.700 -0.015 0.000 0.750 73 E HN 0.517 nan 8.360 nan 0.000 0.452 74 L N 1.577 122.788 121.223 -0.021 0.000 2.083 74 L HA -0.132 4.756 4.340 0.913 0.000 0.209 74 L C 2.096 178.949 176.870 -0.028 0.000 1.083 74 L CA 1.828 56.655 54.840 -0.022 0.000 0.752 74 L CB -0.301 41.746 42.059 -0.021 0.000 0.899 74 L HN -0.047 nan 8.230 nan 0.000 0.433 75 K N -0.945 119.437 120.400 -0.031 0.000 2.211 75 K HA -0.192 4.676 4.320 0.913 0.000 0.203 75 K C 2.077 178.650 176.600 -0.045 0.000 1.050 75 K CA 1.208 57.472 56.287 -0.038 0.000 0.945 75 K CB -0.119 32.360 32.500 -0.035 0.000 0.732 75 K HN 0.318 nan 8.250 nan 0.000 0.451 76 Q N 0.841 120.616 119.800 -0.041 0.000 2.187 76 Q HA -0.043 4.845 4.340 0.913 0.000 0.199 76 Q C 2.031 178.000 176.000 -0.051 0.000 0.957 76 Q CA 1.391 57.165 55.803 -0.048 0.000 0.857 76 Q CB -0.100 28.615 28.738 -0.038 0.000 0.929 76 Q HN 0.135 nan 8.270 nan 0.000 0.453 77 S N -0.787 114.889 115.700 -0.040 0.000 2.355 77 S HA -0.033 4.985 4.470 0.913 0.000 0.222 77 S C 1.738 176.310 174.600 -0.047 0.000 1.031 77 S CA 1.023 59.200 58.200 -0.037 0.000 0.993 77 S CB -0.231 62.954 63.200 -0.024 0.000 0.859 77 S HN 0.513 nan 8.310 nan 0.000 0.453 78 L N 0.761 121.956 121.223 -0.047 0.000 2.217 78 L HA -0.022 4.865 4.340 0.913 0.000 0.211 78 L C 2.627 179.452 176.870 -0.075 0.000 1.107 78 L CA 1.179 55.986 54.840 -0.054 0.000 0.783 78 L CB -0.810 41.222 42.059 -0.045 0.000 0.919 78 L HN 0.345 nan 8.230 nan 0.000 0.442 79 T N -0.654 113.847 114.554 -0.088 0.000 2.821 79 T HA -0.146 4.751 4.350 0.913 0.000 0.267 79 T C 1.703 176.302 174.700 -0.169 0.000 1.046 79 T CA 1.153 63.175 62.100 -0.130 0.000 1.139 79 T CB -0.046 68.747 68.868 -0.125 0.000 0.871 79 T HN 0.395 nan 8.240 nan 0.000 0.454 80 E N 0.832 120.958 120.200 -0.123 0.000 2.072 80 E HA -0.131 4.767 4.350 0.913 0.000 0.191 80 E C 2.262 178.811 176.600 -0.085 0.000 0.985 80 E CA 0.880 57.212 56.400 -0.113 0.000 0.801 80 E CB -0.051 29.610 29.700 -0.066 0.000 0.750 80 E HN 0.550 nan 8.360 nan 0.000 0.452 81 E N 0.581 120.742 120.200 -0.066 0.000 2.106 81 E HA -0.168 4.730 4.350 0.913 0.000 0.192 81 E C 2.022 178.605 176.600 -0.028 0.000 0.984 81 E CA 0.852 57.227 56.400 -0.042 0.000 0.806 81 E CB -0.019 29.641 29.700 -0.067 0.000 0.750 81 E HN 0.218 nan 8.360 nan 0.000 0.458 82 A N 1.013 123.795 122.820 -0.062 0.000 1.933 82 A HA -0.211 4.657 4.320 0.913 0.000 0.218 82 A C 1.897 179.451 177.584 -0.051 0.000 1.175 82 A CA 1.538 53.551 52.037 -0.040 0.000 0.628 82 A CB -0.433 18.521 19.000 -0.078 0.000 0.814 82 A HN 0.298 nan 8.150 nan 0.000 0.444 83 E N -0.532 119.530 120.200 -0.231 0.000 2.077 83 E HA -0.180 4.718 4.350 0.913 0.000 0.193 83 E C 2.360 179.041 176.600 0.134 0.000 0.989 83 E CA 1.138 57.269 56.400 -0.449 0.000 0.800 83 E CB -0.131 29.114 29.700 -0.759 0.000 0.746 83 E HN 0.555 nan 8.360 nan 0.000 0.452 84 R N 0.229 120.819 120.500 0.150 0.000 2.075 84 R HA -0.102 4.786 4.340 0.913 0.000 0.232 84 R C 2.457 178.970 176.300 0.356 0.000 1.126 84 R CA 0.707 57.011 56.100 0.340 0.000 0.963 84 R CB -0.341 30.128 30.300 0.283 0.000 0.858 84 R HN 0.103 nan 8.270 nan 0.000 0.435 85 L N 0.069 121.409 121.223 0.196 0.000 2.083 85 L HA -0.206 4.682 4.340 0.913 0.000 0.209 85 L C 2.139 179.130 176.870 0.202 0.000 1.083 85 L CA 1.611 56.531 54.840 0.133 0.000 0.752 85 L CB -0.485 41.642 42.059 0.113 0.000 0.899 85 L HN 0.116 nan 8.230 nan 0.000 0.433 86 Y N 0.321 120.727 120.300 0.176 0.000 2.145 86 Y HA -0.299 4.798 4.550 0.912 0.000 0.286 86 Y C 2.688 178.747 175.900 0.265 0.000 1.145 86 Y CA 2.300 60.523 58.100 0.204 0.000 1.148 86 Y CB -0.159 38.479 38.460 0.298 0.000 0.981 86 Y HN 0.206 nan 8.280 nan 0.000 0.507 87 K N -0.220 120.537 120.400 0.596 0.000 2.103 87 K HA -0.220 4.648 4.320 0.913 0.000 0.207 87 K C 2.022 178.930 176.600 0.513 0.000 1.048 87 K CA 1.629 58.251 56.287 0.559 0.000 0.930 87 K CB -0.461 32.393 32.500 0.591 0.000 0.716 87 K HN 0.392 nan 8.250 nan 0.000 0.444 88 L N 1.147 122.593 121.223 0.372 0.000 2.005 88 L HA -0.064 4.824 4.340 0.913 0.000 0.207 88 L C 1.909 178.747 176.870 -0.052 0.000 1.072 88 L CA 1.611 56.419 54.840 -0.053 0.000 0.744 88 L CB -0.274 41.453 42.059 -0.553 0.000 0.895 88 L HN 0.239 nan 8.230 nan 0.000 0.433 89 I N -1.689 118.852 120.570 -0.049 0.000 2.286 89 I HA -0.283 4.435 4.170 0.913 0.000 0.245 89 I C 2.387 178.494 176.117 -0.018 0.000 1.104 89 I CA 1.271 62.520 61.300 -0.084 0.000 1.397 89 I CB -0.509 37.402 38.000 -0.148 0.000 1.072 89 I HN 0.324 nan 8.210 nan 0.000 0.417 90 Y N 2.036 122.188 120.300 -0.245 0.000 2.165 90 Y HA -0.210 4.887 4.550 0.912 0.000 0.286 90 Y C 2.396 178.389 175.900 0.155 0.000 1.155 90 Y CA 1.656 59.667 58.100 -0.147 0.000 1.164 90 Y CB -0.724 37.543 38.460 -0.321 0.000 0.978 90 Y HN 0.089 nan 8.280 nan 0.000 0.513 91 G N -0.768 108.095 108.800 0.105 0.000 2.598 91 G HA2 -0.084 4.424 3.960 0.913 0.000 0.215 91 G HA3 -0.084 4.424 3.960 0.913 0.000 0.215 91 G C 0.937 175.771 174.900 -0.110 0.000 1.131 91 G CA 0.676 45.784 45.100 0.012 0.000 0.785 91 G HN 0.540 nan 8.290 nan 0.000 0.539 92 L N -1.610 119.550 121.223 -0.105 0.000 4.613 92 L HA -0.181 4.707 4.340 0.913 0.000 0.409 92 L C 1.977 178.792 176.870 -0.091 0.000 1.100 92 L CA 0.052 54.794 54.840 -0.163 0.000 1.029 92 L CB -1.495 40.325 42.059 -0.399 0.000 2.137 92 L HN 0.287 nan 8.230 nan 0.000 0.713 93 G N -0.440 108.312 108.800 -0.080 0.000 2.650 93 G HA2 0.422 4.930 3.960 0.913 0.000 0.214 93 G HA3 0.422 4.930 3.960 0.913 0.000 0.214 93 G C 0.534 175.358 174.900 -0.127 0.000 1.136 93 G CA 0.951 45.992 45.100 -0.097 0.000 0.789 93 G HN 0.715 nan 8.290 nan 0.000 0.536 94 A N -1.692 121.036 122.820 -0.153 0.000 2.594 94 A HA 0.696 5.564 4.320 0.913 0.000 0.296 94 A C -0.873 176.466 177.584 -0.408 0.000 1.056 94 A CA 0.044 51.864 52.037 -0.362 0.000 0.693 94 A CB 1.246 20.014 19.000 -0.387 0.000 1.278 94 A HN 0.569 nan 8.150 nan 0.000 0.408 95 T N 2.209 116.316 114.554 -0.746 0.000 2.942 95 T HA 0.747 5.645 4.350 0.913 0.000 0.327 95 T C -3.130 170.886 174.700 -1.139 0.000 1.360 95 T CA -1.177 60.497 62.100 -0.711 0.000 1.055 95 T CB 2.005 70.717 68.868 -0.260 0.000 1.261 95 T HN 0.508 nan 8.240 nan 0.000 0.485 96 P HA 0.232 nan 4.420 nan 0.000 0.277 96 P C 0.052 177.144 177.300 -0.348 0.000 1.276 96 P CA -0.286 62.425 63.100 -0.650 0.000 0.788 96 P CB 0.223 31.764 31.700 -0.265 0.000 1.114 97 S N -1.466 114.148 115.700 -0.143 0.000 2.580 97 S HA 0.113 5.131 4.470 0.913 0.000 0.266 97 S C 1.877 176.434 174.600 -0.071 0.000 1.354 97 S CA 0.170 58.325 58.200 -0.076 0.000 1.008 97 S CB -0.695 62.515 63.200 0.016 0.000 0.898 97 S HN 0.652 nan 8.310 nan 0.000 0.555 98 G N 1.140 109.933 108.800 -0.013 0.000 2.442 98 G HA2 -0.278 4.230 3.960 0.913 0.000 0.219 98 G HA3 -0.278 4.230 3.960 0.913 0.000 0.219 98 G C 1.480 176.487 174.900 0.179 0.000 1.141 98 G CA 1.007 46.140 45.100 0.056 0.000 0.763 98 G HN 0.759 nan 8.290 nan 0.000 0.554 99 R N 1.230 121.829 120.500 0.164 0.000 2.083 99 R HA -0.023 4.865 4.340 0.913 0.000 0.237 99 R C 2.232 178.671 176.300 0.231 0.000 1.137 99 R CA 2.039 58.264 56.100 0.208 0.000 0.951 99 R CB -1.092 29.306 30.300 0.163 0.000 0.851 99 R HN 0.482 nan 8.270 nan 0.000 0.434 100 N N -0.058 118.742 118.700 0.166 0.000 2.166 100 N HA -0.128 5.160 4.740 0.913 0.000 0.186 100 N C 1.708 177.311 175.510 0.154 0.000 1.019 100 N CA 1.461 54.619 53.050 0.179 0.000 0.856 100 N CB -0.103 38.520 38.487 0.226 0.000 0.993 100 N HN 0.221 nan 8.380 nan 0.000 0.426 101 L N -0.023 121.246 121.223 0.077 0.000 2.083 101 L HA -0.158 4.730 4.340 0.913 0.000 0.209 101 L C 2.313 179.344 176.870 0.269 0.000 1.083 101 L CA 1.034 55.910 54.840 0.060 0.000 0.752 101 L CB -0.333 41.559 42.059 -0.279 0.000 0.899 101 L HN 0.488 nan 8.230 nan 0.000 0.433 102 W N -0.127 121.275 121.300 0.170 0.000 2.576 102 W HA -0.063 5.133 4.660 0.894 0.000 0.275 102 W C 1.900 178.494 176.519 0.126 0.000 1.241 102 W CA 0.687 58.155 57.345 0.204 0.000 1.328 102 W CB 0.332 29.922 29.460 0.216 0.000 1.092 102 W HN 0.077 nan 8.180 nan 0.000 0.586 103 I N 0.639 121.296 120.570 0.146 0.000 3.616 103 I HA 0.070 4.787 4.170 0.913 0.000 0.296 103 I C 1.234 177.390 176.117 0.065 0.000 1.226 103 I CA 0.445 61.781 61.300 0.060 0.000 1.394 103 I CB -0.241 37.895 38.000 0.226 0.000 1.171 103 I HN -0.306 nan 8.210 nan 0.000 0.442 104 S N 0.564 116.323 115.700 0.098 0.000 2.575 104 S HA 0.277 5.295 4.470 0.913 0.000 0.295 104 S C 1.352 175.980 174.600 0.046 0.000 1.267 104 S CA 0.924 59.174 58.200 0.084 0.000 1.074 104 S CB -0.316 62.962 63.200 0.129 0.000 0.829 104 S HN 0.826 nan 8.310 nan 0.000 0.497 105 G N 3.183 112.001 108.800 0.031 0.000 2.179 105 G HA2 -0.269 4.239 3.960 0.913 0.000 0.260 105 G HA3 -0.269 4.239 3.960 0.913 0.000 0.260 105 G C 0.285 175.188 174.900 0.006 0.000 0.977 105 G CA 0.610 45.721 45.100 0.017 0.000 0.641 105 G HN 1.467 nan 8.290 nan 0.000 0.533 106 T N -2.111 112.446 114.554 0.006 0.000 2.899 106 T HA 0.549 5.447 4.350 0.913 0.000 0.284 106 T C 0.939 175.661 174.700 0.036 0.000 1.004 106 T CA 0.271 62.372 62.100 0.002 0.000 1.043 106 T CB 1.603 70.453 68.868 -0.029 0.000 1.013 106 T HN -0.025 nan 8.240 nan 0.000 0.518 107 D N -0.236 120.190 120.400 0.043 0.000 2.178 107 D HA -0.106 5.082 4.640 0.913 0.000 0.201 107 D C 1.384 177.729 176.300 0.075 0.000 0.980 107 D CA 1.259 55.286 54.000 0.045 0.000 0.842 107 D CB -0.156 40.669 40.800 0.042 0.000 0.948 107 D HN 0.760 nan 8.370 nan 0.000 0.472 108 Y N 1.606 121.910 120.300 0.008 0.000 2.224 108 Y HA -0.208 4.805 4.550 0.773 0.000 0.289 108 Y C 2.402 178.323 175.900 0.034 0.000 1.146 108 Y CA 1.487 59.613 58.100 0.044 0.000 1.182 108 Y CB 0.035 38.534 38.460 0.064 0.000 0.983 108 Y HN -0.154 nan 8.280 nan 0.000 0.524 109 Q N 1.079 120.917 119.800 0.063 0.000 2.119 109 Q HA -0.174 4.714 4.340 0.913 0.000 0.201 109 Q C 2.036 177.984 176.000 -0.087 0.000 0.972 109 Q CA 1.565 57.358 55.803 -0.016 0.000 0.847 109 Q CB -0.233 28.542 28.738 0.061 0.000 0.903 109 Q HN 0.515 nan 8.270 nan 0.000 0.433 110 R N 0.113 120.579 120.500 -0.056 0.000 2.280 110 R HA -0.041 4.847 4.340 0.913 0.000 0.207 110 R C 1.931 178.180 176.300 -0.085 0.000 1.043 110 R CA 1.137 57.202 56.100 -0.059 0.000 1.006 110 R CB 0.109 30.390 30.300 -0.031 0.000 0.885 110 R HN 0.261 nan 8.270 nan 0.000 0.467 111 R N -1.370 119.051 120.500 -0.131 0.000 2.476 111 R HA 0.167 5.055 4.340 0.913 0.000 0.276 111 R C -0.550 175.626 176.300 -0.207 0.000 0.941 111 R CA 0.035 56.054 56.100 -0.135 0.000 1.088 111 R CB 0.730 30.973 30.300 -0.094 0.000 1.216 111 R HN -0.197 nan 8.270 nan 0.000 0.533 112 T N 0.875 115.239 114.554 -0.317 0.000 2.815 112 T HA 0.471 5.369 4.350 0.913 0.000 0.289 112 T C 0.044 174.621 174.700 -0.204 0.000 1.000 112 T CA -0.575 61.318 62.100 -0.345 0.000 0.958 112 T CB 1.695 70.106 68.868 -0.762 0.000 0.944 112 T HN 0.351 nan 8.240 nan 0.000 0.442 113 G N 1.188 109.910 108.800 -0.131 0.000 2.544 113 G HA2 0.404 4.912 3.960 0.913 0.000 0.242 113 G HA3 0.404 4.912 3.960 0.913 0.000 0.242 113 G C 0.172 175.046 174.900 -0.043 0.000 1.247 113 G CA -0.490 44.550 45.100 -0.100 0.000 0.840 113 G HN 0.781 nan 8.290 nan 0.000 0.578 114 D N -0.440 119.916 120.400 -0.073 0.000 2.978 114 D HA -0.296 4.891 4.640 0.913 0.000 0.205 114 D C 2.036 178.475 176.300 0.231 0.000 1.093 114 D CA 1.742 55.850 54.000 0.180 0.000 1.006 114 D CB -1.400 39.593 40.800 0.321 0.000 1.116 114 D HN 0.686 nan 8.370 nan 0.000 0.419 115 S N -0.293 115.462 115.700 0.092 0.000 2.500 115 S HA -0.069 4.949 4.470 0.913 0.000 0.239 115 S C 1.778 176.481 174.600 0.171 0.000 0.989 115 S CA 0.659 58.951 58.200 0.152 0.000 0.951 115 S CB -0.248 63.005 63.200 0.087 0.000 0.759 115 S HN 0.516 nan 8.310 nan 0.000 0.523 116 L N 0.347 121.645 121.223 0.124 0.000 2.607 116 L HA 0.354 5.241 4.340 0.913 0.000 0.228 116 L C -0.372 176.590 176.870 0.155 0.000 1.123 116 L CA -0.173 54.747 54.840 0.133 0.000 0.890 116 L CB -0.284 41.827 42.059 0.087 0.000 1.103 116 L HN 0.217 nan 8.230 nan 0.000 0.468 117 N N -0.660 118.158 118.700 0.196 0.000 2.314 117 N HA 0.188 5.475 4.740 0.913 0.000 0.294 117 N C 0.220 175.823 175.510 0.156 0.000 1.029 117 N CA -0.321 52.781 53.050 0.088 0.000 0.845 117 N CB 1.251 39.687 38.487 -0.085 0.000 1.321 117 N HN -0.065 nan 8.380 nan 0.000 0.481 118 N N 0.310 119.040 118.700 0.049 0.000 2.356 118 N HA 0.117 5.405 4.740 0.913 0.000 0.178 118 N C -0.717 174.862 175.510 0.115 0.000 1.075 118 N CA 0.119 53.247 53.050 0.131 0.000 0.889 118 N CB 0.389 38.935 38.487 0.099 0.000 0.999 118 N HN 0.545 nan 8.380 nan 0.000 0.464 119 c N -0.628 117.891 118.600 -0.136 0.000 2.898 119 c HA 0.731 5.849 4.570 0.913 0.000 0.304 119 c C -1.181 172.693 174.090 -0.360 0.000 1.237 119 c CA -1.317 54.988 56.329 -0.041 0.000 1.529 119 c CB -0.373 42.144 42.510 0.011 0.000 2.021 119 c HN 0.237 nan 8.230 nan 0.000 0.474 120 W N -0.053 121.346 121.300 0.164 0.000 3.018 120 W HA 0.735 5.943 4.660 0.913 0.000 0.352 120 W C -1.036 175.645 176.519 0.271 0.000 1.230 120 W CA -0.714 56.764 57.345 0.222 0.000 1.162 120 W CB 0.937 30.552 29.460 0.259 0.000 1.483 120 W HN 0.723 nan 8.180 nan 0.000 0.584 121 F N 1.524 121.702 119.950 0.380 0.000 2.591 121 F HA 0.808 5.883 4.527 0.914 0.000 0.309 121 F C -1.833 174.032 175.800 0.108 0.000 1.098 121 F CA -1.345 56.773 58.000 0.197 0.000 0.937 121 F CB 1.391 40.434 39.000 0.071 0.000 1.250 121 F HN 0.215 nan 8.300 nan 0.000 0.447 122 V N 4.385 123.541 119.914 -1.264 0.000 2.932 122 V HA 0.847 5.515 4.120 0.913 0.000 0.307 122 V C -1.331 174.100 176.094 -1.105 0.000 1.147 122 V CA -0.339 61.346 62.300 -1.026 0.000 0.951 122 V CB 1.850 33.327 31.823 -0.575 0.000 1.031 122 V HN 1.256 nan 8.190 nan 0.000 0.426 123 A N 6.656 129.054 122.820 -0.704 0.000 2.328 123 A HA 0.663 5.531 4.320 0.913 0.000 0.284 123 A C -0.159 177.215 177.584 -0.350 0.000 1.160 123 A CA -0.453 51.357 52.037 -0.378 0.000 0.818 123 A CB 0.254 19.153 19.000 -0.168 0.000 1.087 123 A HN 0.711 nan 8.150 nan 0.000 0.504 124 I N 3.841 124.242 120.570 -0.282 0.000 2.268 124 I HA 0.182 4.900 4.170 0.913 0.000 0.298 124 I C 0.756 176.728 176.117 -0.243 0.000 1.185 124 I CA 0.591 61.667 61.300 -0.372 0.000 1.548 124 I CB -1.680 36.099 38.000 -0.369 0.000 1.492 124 I HN 0.783 nan 8.210 nan 0.000 0.711 125 R N 4.272 124.632 120.500 -0.234 0.000 2.698 125 R HA 0.708 5.596 4.340 0.913 0.000 0.275 125 R C -3.220 172.986 176.300 -0.156 0.000 1.001 125 R CA -1.928 54.081 56.100 -0.151 0.000 0.896 125 R CB 1.138 31.368 30.300 -0.117 0.000 1.218 125 R HN -0.087 nan 8.270 nan 0.000 0.462 126 P HA -0.019 nan 4.420 nan 0.000 0.264 126 P C -1.121 176.118 177.300 -0.102 0.000 1.183 126 P CA 0.274 63.308 63.100 -0.109 0.000 0.763 126 P CB 0.597 32.231 31.700 -0.110 0.000 0.807 127 Q N 1.002 120.743 119.800 -0.099 0.000 2.565 127 Q HA 0.353 5.241 4.340 0.913 0.000 0.294 127 Q C -0.601 175.372 176.000 -0.045 0.000 1.005 127 Q CA -1.240 54.504 55.803 -0.098 0.000 0.771 127 Q CB 2.096 30.728 28.738 -0.176 0.000 1.486 127 Q HN 0.348 nan 8.270 nan 0.000 0.422 128 K N -0.350 120.045 120.400 -0.009 0.000 2.098 128 K HA 0.284 5.152 4.320 0.913 0.000 0.257 128 K C -0.331 176.324 176.600 0.092 0.000 0.999 128 K CA -0.406 55.932 56.287 0.086 0.000 0.924 128 K CB 0.721 33.265 32.500 0.074 0.000 1.028 128 K HN 0.537 nan 8.250 nan 0.000 0.466 129 Y N 0.754 121.103 120.300 0.082 0.000 2.420 129 Y HA 0.089 5.185 4.550 0.909 0.000 0.292 129 Y C 1.442 177.412 175.900 0.116 0.000 1.119 129 Y CA 1.100 59.292 58.100 0.154 0.000 1.229 129 Y CB -0.176 38.329 38.460 0.075 0.000 1.026 129 Y HN 1.140 nan 8.280 nan 0.000 0.554 130 G N 0.395 109.313 108.800 0.196 0.000 2.698 130 G HA2 -0.335 4.173 3.960 0.913 0.000 0.233 130 G HA3 -0.335 4.173 3.960 0.913 0.000 0.233 130 G C -0.690 174.258 174.900 0.080 0.000 1.352 130 G CA -0.112 45.056 45.100 0.113 0.000 0.879 130 G HN 0.268 nan 8.290 nan 0.000 0.567 131 D N 0.736 121.164 120.400 0.046 0.000 2.551 131 D HA 0.511 5.699 4.640 0.913 0.000 0.223 131 D C 0.547 176.842 176.300 -0.009 0.000 1.144 131 D CA 0.510 54.516 54.000 0.010 0.000 1.025 131 D CB -0.441 40.364 40.800 0.007 0.000 1.085 131 D HN 0.553 nan 8.370 nan 0.000 0.506 132 S N 1.391 117.061 115.700 -0.049 0.000 2.704 132 S HA 0.274 5.292 4.470 0.913 0.000 0.305 132 S C 1.146 175.599 174.600 -0.245 0.000 1.107 132 S CA -0.859 57.242 58.200 -0.165 0.000 0.993 132 S CB 1.920 64.949 63.200 -0.285 0.000 1.110 132 S HN 0.107 nan 8.310 nan 0.000 0.534 133 K N 0.695 120.901 120.400 -0.324 0.000 2.103 133 K HA 0.107 4.975 4.320 0.913 0.000 0.207 133 K C 0.121 176.549 176.600 -0.288 0.000 1.048 133 K CA 1.238 57.365 56.287 -0.267 0.000 0.930 133 K CB -0.218 32.130 32.500 -0.254 0.000 0.716 133 K HN 0.502 nan 8.250 nan 0.000 0.444 134 I N 1.102 121.409 120.570 -0.438 0.000 2.339 134 I HA 0.183 4.901 4.170 0.913 0.000 0.290 134 I C -1.094 174.868 176.117 -0.259 0.000 0.994 134 I CA -0.826 60.279 61.300 -0.325 0.000 1.191 134 I CB 1.646 39.457 38.000 -0.314 0.000 1.343 134 I HN -0.326 nan 8.210 nan 0.000 0.458 135 V N 7.416 127.149 119.914 -0.303 0.000 2.624 135 V HA 0.244 4.912 4.120 0.913 0.000 0.294 135 V C -2.376 173.390 176.094 -0.547 0.000 1.077 135 V CA -1.426 60.592 62.300 -0.470 0.000 0.905 135 V CB 1.770 33.424 31.823 -0.281 0.000 1.025 135 V HN 0.587 nan 8.190 nan 0.000 0.440 136 P HA 0.044 nan 4.420 nan 0.000 0.264 136 P C 1.180 178.050 177.300 -0.716 0.000 1.183 136 P CA 0.373 62.978 63.100 -0.824 0.000 0.763 136 P CB 0.671 31.571 31.700 -1.334 0.000 0.807 137 S N 2.302 117.741 115.700 -0.435 0.000 2.420 137 S HA -0.270 4.747 4.470 0.913 0.000 0.237 137 S C 1.678 176.182 174.600 -0.159 0.000 1.023 137 S CA 1.568 59.634 58.200 -0.223 0.000 0.991 137 S CB -1.442 61.702 63.200 -0.093 0.000 0.792 137 S HN 0.629 nan 8.310 nan 0.000 0.488 138 Y N 0.937 121.169 120.300 -0.114 0.000 2.420 138 Y HA 0.506 5.604 4.550 0.914 0.000 0.292 138 Y C 0.825 176.690 175.900 -0.058 0.000 1.119 138 Y CA -0.784 57.273 58.100 -0.073 0.000 1.229 138 Y CB -0.564 37.859 38.460 -0.062 0.000 1.026 138 Y HN 0.115 nan 8.280 nan 0.000 0.554 139 L N 1.379 122.366 121.223 -0.393 0.000 2.399 139 L HA 0.536 5.424 4.340 0.913 0.000 0.266 139 L C 0.870 177.657 176.870 -0.139 0.000 1.114 139 L CA -0.556 54.160 54.840 -0.208 0.000 0.804 139 L CB 0.956 42.813 42.059 -0.338 0.000 1.146 139 L HN 0.306 nan 8.230 nan 0.000 0.451 140 G N 0.360 109.132 108.800 -0.046 0.000 2.451 140 G HA2 0.255 4.763 3.960 0.913 0.000 0.303 140 G HA3 0.255 4.763 3.960 0.913 0.000 0.303 140 G C 0.377 175.267 174.900 -0.017 0.000 1.166 140 G CA -0.537 44.546 45.100 -0.029 0.000 0.884 140 G HN 0.710 nan 8.290 nan 0.000 0.514 141 K N -0.231 120.162 120.400 -0.011 0.000 2.362 141 K HA -0.098 4.769 4.320 0.913 0.000 0.202 141 K C 1.614 178.242 176.600 0.046 0.000 1.045 141 K CA 1.157 57.453 56.287 0.016 0.000 0.936 141 K CB 0.183 32.687 32.500 0.007 0.000 0.747 141 K HN 0.326 nan 8.250 nan 0.000 0.467 142 Q N -0.078 119.744 119.800 0.038 0.000 2.189 142 Q HA 0.077 4.965 4.340 0.913 0.000 0.223 142 Q C -0.296 175.734 176.000 0.049 0.000 0.828 142 Q CA 0.104 55.932 55.803 0.042 0.000 0.967 142 Q CB 0.908 29.662 28.738 0.027 0.000 1.139 142 Q HN 0.333 nan 8.270 nan 0.000 0.497 143 E N 1.694 121.929 120.200 0.058 0.000 2.313 143 E HA 0.128 5.026 4.350 0.913 0.000 0.276 143 E C -0.638 176.018 176.600 0.094 0.000 1.031 143 E CA -0.183 56.258 56.400 0.068 0.000 0.857 143 E CB 0.739 30.478 29.700 0.066 0.000 1.040 143 E HN -0.131 nan 8.360 nan 0.000 0.408 144 K N 2.053 122.497 120.400 0.074 0.000 2.205 144 K HA 0.485 5.353 4.320 0.913 0.000 0.279 144 K C -0.874 175.777 176.600 0.084 0.000 1.027 144 K CA -0.415 55.910 56.287 0.065 0.000 0.932 144 K CB 1.596 34.109 32.500 0.021 0.000 1.032 144 K HN 0.484 nan 8.250 nan 0.000 0.466 145 A N 2.232 125.112 122.820 0.099 0.000 2.449 145 A HA 0.297 5.165 4.320 0.913 0.000 0.302 145 A C 0.719 178.318 177.584 0.026 0.000 1.048 145 A CA -0.780 51.326 52.037 0.115 0.000 0.708 145 A CB 1.298 20.475 19.000 0.296 0.000 1.274 145 A HN 0.459 nan 8.150 nan 0.000 0.410 146 V N 1.948 121.792 119.914 -0.118 0.000 2.594 146 V HA -0.218 4.450 4.120 0.913 0.000 0.253 146 V C 2.705 178.869 176.094 0.117 0.000 1.069 146 V CA 2.844 65.030 62.300 -0.190 0.000 1.082 146 V CB -0.747 30.610 31.823 -0.777 0.000 0.680 146 V HN 1.095 nan 8.190 nan 0.000 0.469 147 S N -0.357 115.464 115.700 0.201 0.000 2.387 147 S HA -0.243 4.775 4.470 0.913 0.000 0.226 147 S C 2.036 176.844 174.600 0.348 0.000 1.026 147 S CA 1.321 59.730 58.200 0.350 0.000 0.972 147 S CB -0.464 62.965 63.200 0.382 0.000 0.814 147 S HN 0.407 nan 8.310 nan 0.000 0.477 148 M N 3.433 123.125 119.600 0.153 0.000 2.308 148 M HA -0.116 4.912 4.480 0.913 0.000 0.257 148 M C -0.965 175.206 176.300 -0.215 0.000 1.070 148 M CA 2.427 57.554 55.300 -0.288 0.000 1.080 148 M CB -2.149 30.127 32.600 -0.541 0.000 1.274 148 M HN 0.236 nan 8.290 nan 0.000 0.434 149 P HA -0.190 nan 4.420 nan 0.000 0.216 149 P C 1.640 178.748 177.300 -0.320 0.000 1.153 149 P CA 1.793 64.655 63.100 -0.397 0.000 0.858 149 P CB -0.558 30.815 31.700 -0.546 0.000 0.789 150 F N 0.765 120.654 119.950 -0.102 0.000 2.171 150 F HA -0.098 4.975 4.527 0.910 0.000 0.300 150 F C 2.699 178.539 175.800 0.066 0.000 1.090 150 F CA 1.452 59.413 58.000 -0.066 0.000 1.293 150 F CB -1.389 37.583 39.000 -0.047 0.000 1.013 150 F HN -0.087 nan 8.300 nan 0.000 0.486 151 S N -0.221 115.676 115.700 0.330 0.000 2.402 151 S HA -0.172 4.845 4.470 0.913 0.000 0.229 151 S C 1.845 176.601 174.600 0.258 0.000 1.021 151 S CA 0.885 59.334 58.200 0.414 0.000 0.974 151 S CB -0.621 62.922 63.200 0.571 0.000 0.800 151 S HN 0.353 nan 8.310 nan 0.000 0.484 152 F N 2.153 121.944 119.950 -0.264 0.000 2.113 152 F HA -0.052 5.029 4.527 0.924 0.000 0.297 152 F C 1.911 177.502 175.800 -0.348 0.000 1.103 152 F CA 0.989 58.551 58.000 -0.730 0.000 1.248 152 F CB -0.515 37.877 39.000 -1.013 0.000 0.999 152 F HN 0.145 nan 8.300 nan 0.000 0.475 153 L N -0.429 120.740 121.223 -0.090 0.000 1.970 153 L HA -0.241 4.647 4.340 0.913 0.000 0.212 153 L C 2.337 179.223 176.870 0.027 0.000 1.071 153 L CA 1.927 56.728 54.840 -0.064 0.000 0.751 153 L CB -1.284 40.729 42.059 -0.077 0.000 0.889 153 L HN 0.197 nan 8.230 nan 0.000 0.432 154 F N 1.042 120.969 119.950 -0.038 0.000 2.063 154 F HA -0.316 4.769 4.527 0.930 0.000 0.298 154 F C 2.450 178.244 175.800 -0.010 0.000 1.109 154 F CA 2.123 60.139 58.000 0.026 0.000 1.212 154 F CB -1.048 38.021 39.000 0.115 0.000 0.973 154 F HN 0.422 nan 8.300 nan 0.000 0.480 155 D N -0.306 120.161 120.400 0.112 0.000 2.123 155 D HA -0.172 5.016 4.640 0.913 0.000 0.196 155 D C 2.010 178.234 176.300 -0.126 0.000 0.992 155 D CA 1.473 55.459 54.000 -0.023 0.000 0.833 155 D CB -0.070 40.819 40.800 0.150 0.000 0.954 155 D HN 0.218 nan 8.370 nan 0.000 0.455 156 E N -0.185 119.822 120.200 -0.322 0.000 2.152 156 E HA -0.044 4.853 4.350 0.913 0.000 0.192 156 E C 2.403 178.972 176.600 -0.053 0.000 0.983 156 E CA 0.234 56.404 56.400 -0.383 0.000 0.818 156 E CB -0.242 28.963 29.700 -0.825 0.000 0.758 156 E HN 0.423 nan 8.360 nan 0.000 0.467 157 L N 0.208 121.448 121.223 0.029 0.000 2.093 157 L HA -0.100 4.788 4.340 0.913 0.000 0.208 157 L C 2.427 179.374 176.870 0.127 0.000 1.085 157 L CA 0.734 55.648 54.840 0.124 0.000 0.755 157 L CB -0.313 41.839 42.059 0.154 0.000 0.904 157 L HN 0.126 nan 8.230 nan 0.000 0.435 158 M N -0.487 119.164 119.600 0.085 0.000 2.296 158 M HA -0.148 4.880 4.480 0.913 0.000 0.265 158 M C 1.727 178.088 176.300 0.103 0.000 1.064 158 M CA 1.492 56.780 55.300 -0.020 0.000 1.109 158 M CB -0.715 31.796 32.600 -0.147 0.000 1.396 158 M HN 0.147 nan 8.290 nan 0.000 0.430 159 K N 0.182 120.688 120.400 0.175 0.000 2.505 159 K HA 0.191 5.058 4.320 0.913 0.000 0.192 159 K C 0.694 177.538 176.600 0.407 0.000 1.025 159 K CA 0.324 56.790 56.287 0.298 0.000 1.086 159 K CB -0.054 32.545 32.500 0.166 0.000 0.840 159 K HN 0.524 nan 8.250 nan 0.000 0.514 160 G N 1.033 110.129 108.800 0.494 0.000 2.212 160 G HA2 -0.205 4.303 3.960 0.913 0.000 0.255 160 G HA3 -0.205 4.303 3.960 0.913 0.000 0.255 160 G C 0.132 175.187 174.900 0.259 0.000 1.062 160 G CA -0.132 45.227 45.100 0.432 0.000 0.815 160 G HN 0.488 nan 8.290 nan 0.000 0.497 161 G N -1.302 107.654 108.800 0.261 0.000 2.735 161 G HA2 0.911 5.419 3.960 0.913 0.000 0.301 161 G HA3 0.911 5.419 3.960 0.913 0.000 0.301 161 G C 0.198 175.251 174.900 0.255 0.000 1.279 161 G CA -0.123 45.153 45.100 0.292 0.000 1.019 161 G HN 1.259 nan 8.290 nan 0.000 0.497 162 G N -1.508 107.456 108.800 0.272 0.000 2.416 162 G HA2 0.561 5.069 3.960 0.913 0.000 0.329 162 G HA3 0.561 5.069 3.960 0.913 0.000 0.329 162 G C -1.309 173.768 174.900 0.296 0.000 1.173 162 G CA -0.358 44.880 45.100 0.231 0.000 0.929 162 G HN 0.753 nan 8.290 nan 0.000 0.475 163 V N 0.879 120.957 119.914 0.272 0.000 2.638 163 V HA 0.762 5.430 4.120 0.913 0.000 0.306 163 V C 0.618 176.900 176.094 0.312 0.000 1.052 163 V CA -0.617 61.874 62.300 0.318 0.000 0.885 163 V CB 1.759 33.741 31.823 0.265 0.000 0.999 163 V HN 1.000 nan 8.190 nan 0.000 0.424 164 G N 3.491 112.480 108.800 0.315 0.000 2.371 164 G HA2 0.782 5.290 3.960 0.913 0.000 0.326 164 G HA3 0.782 5.290 3.960 0.913 0.000 0.326 164 G C -1.126 173.929 174.900 0.259 0.000 1.127 164 G CA -0.375 44.882 45.100 0.261 0.000 0.885 164 G HN 0.776 nan 8.290 nan 0.000 0.477 165 F N -0.017 119.992 119.950 0.099 0.000 2.613 165 F HA 0.780 5.855 4.527 0.913 0.000 0.310 165 F C -0.398 175.420 175.800 0.030 0.000 1.085 165 F CA -1.695 56.206 58.000 -0.166 0.000 0.945 165 F CB 1.978 40.846 39.000 -0.220 0.000 1.298 165 F HN 0.452 nan 8.300 nan 0.000 0.455 166 S N 1.501 117.286 115.700 0.142 0.000 2.433 166 S HA 0.556 5.574 4.470 0.913 0.000 0.310 166 S C -0.238 174.390 174.600 0.046 0.000 1.097 166 S CA -0.332 57.937 58.200 0.116 0.000 1.103 166 S CB 0.946 64.278 63.200 0.221 0.000 0.992 166 S HN 1.254 nan 8.310 nan 0.000 0.469 167 V N 3.379 123.264 119.914 -0.048 0.000 2.955 167 V HA 0.667 5.334 4.120 0.913 0.000 0.379 167 V C 0.769 176.742 176.094 -0.203 0.000 1.288 167 V CA -0.506 61.735 62.300 -0.098 0.000 1.358 167 V CB -0.946 30.818 31.823 -0.099 0.000 1.406 167 V HN 0.874 nan 8.190 nan 0.000 0.569 168 A N 0.967 123.701 122.820 -0.143 0.000 2.425 168 A HA 0.434 5.301 4.320 0.913 0.000 0.242 168 A C 1.516 179.044 177.584 -0.094 0.000 1.077 168 A CA -0.012 51.946 52.037 -0.132 0.000 0.781 168 A CB 0.219 19.171 19.000 -0.079 0.000 1.020 168 A HN 0.630 nan 8.150 nan 0.000 0.494 169 R N 0.966 121.418 120.500 -0.080 0.000 2.096 169 R HA -0.189 4.699 4.340 0.913 0.000 0.240 169 R C 2.375 178.654 176.300 -0.034 0.000 1.139 169 R CA 2.045 58.117 56.100 -0.047 0.000 0.952 169 R CB -0.524 29.756 30.300 -0.032 0.000 0.854 169 R HN 0.932 nan 8.270 nan 0.000 0.436 170 S N 0.580 116.260 115.700 -0.034 0.000 2.465 170 S HA -0.101 4.917 4.470 0.913 0.000 0.241 170 S C 1.445 176.026 174.600 -0.031 0.000 1.000 170 S CA 1.191 59.375 58.200 -0.027 0.000 0.964 170 S CB -0.204 62.981 63.200 -0.025 0.000 0.763 170 S HN 0.294 nan 8.310 nan 0.000 0.512 171 N N 1.419 120.095 118.700 -0.040 0.000 2.333 171 N HA 0.213 5.501 4.740 0.913 0.000 0.183 171 N C 1.637 177.123 175.510 -0.040 0.000 1.030 171 N CA 0.857 53.878 53.050 -0.048 0.000 0.867 171 N CB -0.285 38.166 38.487 -0.061 0.000 1.027 171 N HN 0.279 nan 8.380 nan 0.000 0.435 172 I N 1.878 122.429 120.570 -0.032 0.000 2.361 172 I HA -0.175 4.543 4.170 0.913 0.000 0.251 172 I C 2.323 178.443 176.117 0.004 0.000 1.133 172 I CA 1.082 62.378 61.300 -0.007 0.000 1.413 172 I CB -1.522 36.476 38.000 -0.003 0.000 1.073 172 I HN 0.115 nan 8.210 nan 0.000 0.424 173 S N 0.590 116.288 115.700 -0.004 0.000 2.447 173 S HA -0.184 4.834 4.470 0.913 0.000 0.233 173 S C 1.669 176.271 174.600 0.002 0.000 1.006 173 S CA 0.699 58.901 58.200 0.003 0.000 0.957 173 S CB -0.485 62.714 63.200 -0.001 0.000 0.773 173 S HN 0.576 nan 8.310 nan 0.000 0.507 174 Q N 0.210 120.004 119.800 -0.010 0.000 2.444 174 Q HA 0.307 5.195 4.340 0.913 0.000 0.206 174 Q C -0.098 175.889 176.000 -0.020 0.000 0.948 174 Q CA 0.206 55.999 55.803 -0.018 0.000 0.946 174 Q CB -0.050 28.668 28.738 -0.033 0.000 1.027 174 Q HN 0.622 nan 8.270 nan 0.000 0.513 175 I N 4.063 124.630 120.570 -0.004 0.000 2.337 175 I HA 0.141 4.859 4.170 0.913 0.000 0.291 175 I C -1.869 174.284 176.117 0.059 0.000 1.046 175 I CA -2.149 59.151 61.300 -0.001 0.000 1.324 175 I CB 0.662 38.688 38.000 0.043 0.000 1.409 175 I HN -0.079 nan 8.210 nan 0.000 0.494 176 P HA 0.012 nan 4.420 nan 0.000 0.271 176 P C -0.663 176.783 177.300 0.244 0.000 1.238 176 P CA -0.385 62.799 63.100 0.140 0.000 0.794 176 P CB 0.467 32.256 31.700 0.149 0.000 0.959 177 R N -0.291 120.296 120.500 0.146 0.000 2.738 177 R HA 0.265 5.152 4.340 0.913 0.000 0.268 177 R C -0.530 175.790 176.300 0.034 0.000 1.062 177 R CA -0.691 55.460 56.100 0.084 0.000 1.158 177 R CB -0.391 29.913 30.300 0.006 0.000 1.046 177 R HN 0.147 nan 8.270 nan 0.000 0.493 178 V N 3.446 123.305 119.914 -0.091 0.000 2.364 178 V HA -0.027 4.641 4.120 0.913 0.000 0.252 178 V C 0.411 176.300 176.094 -0.342 0.000 1.075 178 V CA 0.049 62.147 62.300 -0.338 0.000 1.033 178 V CB 0.314 32.002 31.823 -0.226 0.000 1.116 178 V HN 0.820 nan 8.190 nan 0.000 0.488 179 D N 3.278 123.379 120.400 -0.498 0.000 2.097 179 D HA -0.051 5.137 4.640 0.913 0.000 0.195 179 D C 0.341 176.163 176.300 -0.798 0.000 0.989 179 D CA 1.712 55.271 54.000 -0.734 0.000 0.827 179 D CB 0.103 40.227 40.800 -1.128 0.000 0.966 179 D HN 0.492 nan 8.370 nan 0.000 0.456 180 F N -0.216 119.619 119.950 -0.192 0.000 2.508 180 F HA 0.591 5.666 4.527 0.912 0.000 0.325 180 F C 0.196 175.857 175.800 -0.231 0.000 1.090 180 F CA -1.637 56.247 58.000 -0.194 0.000 0.945 180 F CB 1.555 40.424 39.000 -0.217 0.000 1.156 180 F HN -0.268 nan 8.300 nan 0.000 0.463 181 A N 3.794 126.625 122.820 0.018 0.000 2.260 181 A HA 0.699 5.567 4.320 0.913 0.000 0.308 181 A C -0.650 176.857 177.584 -0.128 0.000 1.254 181 A CA -0.523 51.490 52.037 -0.039 0.000 0.874 181 A CB -0.033 18.964 19.000 -0.004 0.000 1.153 181 A HN 0.555 nan 8.150 nan 0.000 0.527 182 I N 2.425 122.837 120.570 -0.263 0.000 2.365 182 I HA 0.162 4.880 4.170 0.913 0.000 0.291 182 I C 0.020 176.078 176.117 -0.097 0.000 1.004 182 I CA -0.484 60.669 61.300 -0.245 0.000 1.311 182 I CB 1.247 39.009 38.000 -0.396 0.000 1.401 182 I HN 0.669 nan 8.210 nan 0.000 0.491 183 D N 6.581 126.931 120.400 -0.083 0.000 2.339 183 D HA 0.305 5.493 4.640 0.913 0.000 0.241 183 D C -0.860 175.416 176.300 -0.039 0.000 1.183 183 D CA -0.252 53.719 54.000 -0.048 0.000 0.859 183 D CB 0.576 41.349 40.800 -0.045 0.000 1.067 183 D HN 0.275 nan 8.370 nan 0.000 0.484 184 L N 3.360 124.570 121.223 -0.023 0.000 2.325 184 L HA 0.488 5.376 4.340 0.913 0.000 0.278 184 L C -0.995 175.867 176.870 -0.013 0.000 1.023 184 L CA -0.200 54.632 54.840 -0.015 0.000 0.811 184 L CB 1.589 43.647 42.059 -0.003 0.000 1.249 184 L HN 0.422 nan 8.230 nan 0.000 0.431 185 Q N 5.567 125.362 119.800 -0.008 0.000 2.292 185 Q HA 0.518 5.406 4.340 0.913 0.000 0.270 185 Q C -1.578 174.416 176.000 -0.011 0.000 1.024 185 Q CA -0.521 55.279 55.803 -0.006 0.000 0.768 185 Q CB 2.421 31.165 28.738 0.009 0.000 1.250 185 Q HN 0.586 nan 8.270 nan 0.000 0.447 186 L N 3.044 124.252 121.223 -0.025 0.000 2.280 186 L HA 0.551 5.438 4.340 0.913 0.000 0.287 186 L C -0.444 176.406 176.870 -0.032 0.000 1.023 186 L CA -0.915 53.899 54.840 -0.043 0.000 0.819 186 L CB 1.269 43.289 42.059 -0.064 0.000 1.212 186 L HN 0.300 nan 8.230 nan 0.000 0.420 187 V N 4.228 124.132 119.914 -0.017 0.000 2.612 187 V HA 0.497 5.165 4.120 0.913 0.000 0.301 187 V C 0.014 176.115 176.094 0.011 0.000 1.046 187 V CA -0.567 61.743 62.300 0.016 0.000 0.946 187 V CB 2.414 34.278 31.823 0.069 0.000 1.003 187 V HN 0.452 nan 8.190 nan 0.000 0.459 188 V N 3.533 123.474 119.914 0.045 0.000 2.559 188 V HA 0.267 4.934 4.120 0.913 0.000 0.289 188 V C -0.811 175.408 176.094 0.208 0.000 1.036 188 V CA -1.004 61.343 62.300 0.079 0.000 0.887 188 V CB 1.735 33.575 31.823 0.029 0.000 1.022 188 V HN 1.088 nan 8.190 nan 0.000 0.442 189 D N 2.555 123.054 120.400 0.165 0.000 2.360 189 D HA 0.203 5.391 4.640 0.913 0.000 0.242 189 D C 0.864 177.236 176.300 0.121 0.000 1.184 189 D CA -0.528 53.562 54.000 0.150 0.000 0.930 189 D CB 1.044 41.884 40.800 0.067 0.000 1.161 189 D HN 0.353 nan 8.370 nan 0.000 0.447 190 E N -0.536 119.594 120.200 -0.117 0.000 2.396 190 E HA -0.107 4.791 4.350 0.913 0.000 0.200 190 E C 1.444 177.963 176.600 -0.135 0.000 1.023 190 E CA 1.063 57.244 56.400 -0.365 0.000 0.857 190 E CB -0.422 29.025 29.700 -0.422 0.000 0.775 190 E HN 0.543 nan 8.360 nan 0.000 0.525 191 T N -0.738 113.793 114.554 -0.038 0.000 3.055 191 T HA -0.015 4.883 4.350 0.913 0.000 0.265 191 T C 0.925 175.642 174.700 0.027 0.000 1.111 191 T CA 0.525 62.621 62.100 -0.007 0.000 1.118 191 T CB 0.063 68.934 68.868 0.005 0.000 0.909 191 T HN 0.076 nan 8.240 nan 0.000 0.501 192 S N 0.941 116.679 115.700 0.064 0.000 2.545 192 S HA 0.125 5.143 4.470 0.913 0.000 0.275 192 S C 1.091 175.754 174.600 0.104 0.000 1.299 192 S CA -0.573 57.679 58.200 0.087 0.000 1.048 192 S CB 0.911 64.174 63.200 0.105 0.000 0.938 192 S HN 0.320 nan 8.310 nan 0.000 0.496 193 E N 2.646 122.898 120.200 0.086 0.000 2.338 193 E HA -0.049 4.849 4.350 0.913 0.000 0.197 193 E C 0.882 177.545 176.600 0.105 0.000 1.007 193 E CA 0.740 57.192 56.400 0.087 0.000 0.849 193 E CB 0.071 29.816 29.700 0.076 0.000 0.774 193 E HN 0.577 nan 8.360 nan 0.000 0.506 194 S N 0.093 115.859 115.700 0.109 0.000 2.614 194 S HA 0.021 5.039 4.470 0.913 0.000 0.230 194 S C 0.904 175.557 174.600 0.088 0.000 0.952 194 S CA -0.402 57.852 58.200 0.090 0.000 0.949 194 S CB -0.089 63.156 63.200 0.075 0.000 0.786 194 S HN 0.353 nan 8.310 nan 0.000 0.478 195 Y N 3.369 123.676 120.300 0.013 0.000 2.030 195 Y HA -0.287 4.811 4.550 0.912 0.000 0.274 195 Y C 1.822 177.724 175.900 0.003 0.000 1.153 195 Y CA 2.075 60.179 58.100 0.006 0.000 1.115 195 Y CB -0.268 38.196 38.460 0.007 0.000 0.969 195 Y HN 0.213 nan 8.280 nan 0.000 0.488 196 D N 0.183 120.622 120.400 0.065 0.000 2.097 196 D HA -0.208 4.980 4.640 0.913 0.000 0.195 196 D C 2.266 178.507 176.300 -0.098 0.000 0.989 196 D CA 1.541 55.515 54.000 -0.043 0.000 0.827 196 D CB -0.639 40.213 40.800 0.087 0.000 0.966 196 D HN 0.524 nan 8.370 nan 0.000 0.456 197 A N 0.867 123.659 122.820 -0.047 0.000 1.902 197 A HA -0.148 4.719 4.320 0.913 0.000 0.217 197 A C 2.498 180.036 177.584 -0.076 0.000 1.181 197 A CA 1.796 53.803 52.037 -0.050 0.000 0.623 197 A CB -0.523 18.464 19.000 -0.023 0.000 0.818 197 A HN 0.147 nan 8.150 nan 0.000 0.443 198 S N -0.412 115.229 115.700 -0.097 0.000 2.368 198 S HA -0.121 4.897 4.470 0.913 0.000 0.225 198 S C 1.841 176.346 174.600 -0.158 0.000 1.030 198 S CA 1.397 59.529 58.200 -0.113 0.000 0.999 198 S CB -0.426 62.707 63.200 -0.111 0.000 0.844 198 S HN 0.343 nan 8.310 nan 0.000 0.459 199 V N 1.967 121.729 119.914 -0.253 0.000 2.490 199 V HA -0.164 4.503 4.120 0.913 0.000 0.250 199 V C 2.187 178.196 176.094 -0.141 0.000 1.061 199 V CA 1.509 63.659 62.300 -0.250 0.000 1.064 199 V CB -0.552 31.041 31.823 -0.384 0.000 0.670 199 V HN 0.432 nan 8.190 nan 0.000 0.461 200 K N 0.381 120.714 120.400 -0.113 0.000 2.097 200 K HA -0.110 4.758 4.320 0.913 0.000 0.206 200 K C 1.824 178.393 176.600 -0.052 0.000 1.049 200 K CA 1.681 57.927 56.287 -0.069 0.000 0.933 200 K CB -0.256 32.212 32.500 -0.054 0.000 0.717 200 K HN 0.589 nan 8.250 nan 0.000 0.442 201 V N -3.478 116.403 119.914 -0.056 0.000 3.623 201 V HA 0.310 4.977 4.120 0.913 0.000 0.271 201 V C 1.026 177.096 176.094 -0.041 0.000 1.248 201 V CA 0.720 62.997 62.300 -0.038 0.000 1.156 201 V CB 0.088 31.892 31.823 -0.032 0.000 0.870 201 V HN 0.402 nan 8.190 nan 0.000 0.453 202 G N -0.783 107.983 108.800 -0.057 0.000 2.273 202 G HA2 0.144 4.652 3.960 0.913 0.000 0.162 202 G HA3 0.144 4.652 3.960 0.913 0.000 0.162 202 G C 0.215 175.077 174.900 -0.063 0.000 1.006 202 G CA -0.031 45.038 45.100 -0.052 0.000 0.704 202 G HN 1.270 nan 8.290 nan 0.000 0.487 203 A N 0.196 122.964 122.820 -0.087 0.000 2.316 203 A HA 0.872 5.739 4.320 0.913 0.000 0.284 203 A C 0.569 178.090 177.584 -0.106 0.000 1.115 203 A CA 0.144 52.126 52.037 -0.092 0.000 0.812 203 A CB 1.115 20.050 19.000 -0.109 0.000 1.064 203 A HN 1.732 nan 8.150 nan 0.000 0.489 204 V N 0.201 120.075 119.914 -0.067 0.000 2.630 204 V HA 0.847 5.514 4.120 0.913 0.000 0.305 204 V C 0.658 176.749 176.094 -0.004 0.000 1.046 204 V CA -0.234 62.040 62.300 -0.044 0.000 0.934 204 V CB 0.911 32.729 31.823 -0.009 0.000 1.003 204 V HN 1.272 nan 8.190 nan 0.000 0.451 205 G N 1.381 110.215 108.800 0.057 0.000 2.594 205 G HA2 0.219 4.727 3.960 0.913 0.000 0.243 205 G HA3 0.219 4.727 3.960 0.913 0.000 0.243 205 G C 0.396 175.389 174.900 0.154 0.000 1.229 205 G CA -0.104 45.151 45.100 0.257 0.000 0.843 205 G HN 1.111 nan 8.290 nan 0.000 0.578 206 K N 1.072 121.563 120.400 0.152 0.000 2.442 206 K HA -0.096 4.772 4.320 0.913 0.000 0.198 206 K C 2.445 179.081 176.600 0.061 0.000 1.042 206 K CA 1.381 57.721 56.287 0.089 0.000 0.958 206 K CB -0.431 32.115 32.500 0.077 0.000 0.766 206 K HN 0.651 nan 8.250 nan 0.000 0.474 207 N N 2.309 121.050 118.700 0.069 0.000 2.048 207 N HA -0.150 5.138 4.740 0.913 0.000 0.193 207 N C 1.040 176.570 175.510 0.035 0.000 1.061 207 N CA 1.575 54.649 53.050 0.041 0.000 0.849 207 N CB -0.617 37.896 38.487 0.043 0.000 1.044 207 N HN 0.413 nan 8.380 nan 0.000 0.429 208 E N 0.875 121.101 120.200 0.043 0.000 2.773 208 E HA 0.190 5.087 4.350 0.913 0.000 0.302 208 E C -0.476 176.139 176.600 0.026 0.000 1.574 208 E CA -0.327 56.091 56.400 0.030 0.000 1.775 208 E CB -0.926 28.792 29.700 0.030 0.000 1.413 208 E HN 0.541 nan 8.360 nan 0.000 0.471 209 L N 0.657 121.895 121.223 0.025 0.000 2.343 209 L HA 0.341 5.229 4.340 0.913 0.000 0.275 209 L C -0.777 176.101 176.870 0.013 0.000 1.056 209 L CA -0.953 53.902 54.840 0.024 0.000 0.804 209 L CB 1.901 43.981 42.059 0.035 0.000 1.203 209 L HN -0.013 nan 8.230 nan 0.000 0.440 210 V N 5.204 125.125 119.914 0.012 0.000 2.350 210 V HA 0.569 5.236 4.120 0.913 0.000 0.285 210 V C -0.478 175.618 176.094 0.004 0.000 1.014 210 V CA -0.459 61.843 62.300 0.003 0.000 0.831 210 V CB 1.051 32.874 31.823 -0.001 0.000 1.000 210 V HN 0.866 nan 8.190 nan 0.000 0.433 211 Q N 3.379 123.177 119.800 -0.003 0.000 2.320 211 Q HA 0.473 5.360 4.340 0.913 0.000 0.272 211 Q C -1.578 174.411 176.000 -0.017 0.000 1.023 211 Q CA -0.602 55.198 55.803 -0.005 0.000 0.855 211 Q CB 2.984 31.722 28.738 0.000 0.000 1.367 211 Q HN 0.941 nan 8.270 nan 0.000 0.406 212 D N 1.456 121.845 120.400 -0.018 0.000 2.624 212 D HA 0.589 5.777 4.640 0.913 0.000 0.257 212 D C 0.357 176.642 176.300 -0.025 0.000 1.167 212 D CA -0.211 53.775 54.000 -0.023 0.000 1.086 212 D CB 0.578 41.364 40.800 -0.024 0.000 1.210 212 D HN 0.441 nan 8.370 nan 0.000 0.631 213 A N -1.112 121.692 122.820 -0.026 0.000 2.208 213 A HA 0.044 4.912 4.320 0.913 0.000 0.209 213 A C 1.423 178.992 177.584 -0.025 0.000 1.161 213 A CA 0.905 52.927 52.037 -0.025 0.000 0.782 213 A CB -0.674 18.312 19.000 -0.024 0.000 0.816 213 A HN 0.566 nan 8.150 nan 0.000 0.477 214 D N -0.647 119.735 120.400 -0.031 0.000 2.327 214 D HA 0.090 5.278 4.640 0.913 0.000 0.205 214 D C 0.644 176.918 176.300 -0.042 0.000 0.989 214 D CA 0.333 54.308 54.000 -0.042 0.000 0.873 214 D CB 0.100 40.868 40.800 -0.052 0.000 0.955 214 D HN 0.240 nan 8.370 nan 0.000 0.515 215 S N -0.181 115.503 115.700 -0.026 0.000 2.569 215 S HA 0.152 5.170 4.470 0.913 0.000 0.274 215 S C 0.447 175.054 174.600 0.012 0.000 1.353 215 S CA -0.093 58.100 58.200 -0.012 0.000 1.023 215 S CB 0.701 63.909 63.200 0.013 0.000 0.876 215 S HN 0.143 nan 8.310 nan 0.000 0.540 216 I N 2.017 122.597 120.570 0.016 0.000 2.377 216 I HA 0.364 5.082 4.170 0.913 0.000 0.293 216 I C -0.848 175.345 176.117 0.128 0.000 0.987 216 I CA -0.564 60.759 61.300 0.039 0.000 1.185 216 I CB 1.212 39.193 38.000 -0.032 0.000 1.341 216 I HN 0.618 nan 8.210 nan 0.000 0.455 217 Y N 7.330 127.649 120.300 0.032 0.000 2.425 217 Y HA 0.482 5.582 4.550 0.915 0.000 0.344 217 Y C -1.760 174.236 175.900 0.160 0.000 0.969 217 Y CA -0.884 57.257 58.100 0.069 0.000 1.052 217 Y CB 1.610 40.094 38.460 0.040 0.000 1.215 217 Y HN 0.489 nan 8.280 nan 0.000 0.451 218 Y N 6.724 126.624 120.300 -0.668 0.000 2.332 218 Y HA 0.477 5.573 4.550 0.909 0.000 0.325 218 Y C -1.316 174.209 175.900 -0.626 0.000 1.054 218 Y CA -1.226 56.596 58.100 -0.463 0.000 1.119 218 Y CB 0.855 39.198 38.460 -0.195 0.000 1.168 218 Y HN 0.742 nan 8.280 nan 0.000 0.439 219 R N 5.496 125.568 120.500 -0.713 0.000 2.216 219 R HA 0.397 5.285 4.340 0.913 0.000 0.332 219 R C -1.816 173.989 176.300 -0.826 0.000 1.056 219 R CA -0.254 55.490 56.100 -0.594 0.000 0.901 219 R CB 0.232 30.434 30.300 -0.163 0.000 1.039 219 R HN 0.713 nan 8.270 nan 0.000 0.456 220 L N 7.999 128.766 121.223 -0.761 0.000 2.410 220 L HA 0.339 5.227 4.340 0.913 0.000 0.273 220 L C -1.729 174.983 176.870 -0.263 0.000 1.152 220 L CA -1.148 53.308 54.840 -0.640 0.000 0.855 220 L CB 0.735 42.554 42.059 -0.400 0.000 1.129 220 L HN 0.660 nan 8.230 nan 0.000 0.463 221 P HA 0.048 nan 4.420 nan 0.000 0.279 221 P C -0.731 176.604 177.300 0.058 0.000 1.239 221 P CA -0.541 62.552 63.100 -0.013 0.000 0.789 221 P CB 0.840 32.560 31.700 0.033 0.000 0.933 222 D N 2.245 122.689 120.400 0.074 0.000 2.736 222 D HA 0.079 5.267 4.640 0.913 0.000 0.228 222 D C -0.052 176.328 176.300 0.133 0.000 1.077 222 D CA 0.389 54.469 54.000 0.133 0.000 1.096 222 D CB -0.695 40.167 40.800 0.102 0.000 1.138 222 D HN 0.338 nan 8.370 nan 0.000 0.461 223 T N -2.550 112.095 114.554 0.151 0.000 2.841 223 T HA 0.298 5.196 4.350 0.913 0.000 0.296 223 T C 1.010 175.727 174.700 0.027 0.000 1.166 223 T CA -1.047 61.104 62.100 0.084 0.000 1.007 223 T CB 1.684 70.596 68.868 0.074 0.000 1.253 223 T HN 0.121 nan 8.240 nan 0.000 0.511 224 R N 0.451 120.899 120.500 -0.086 0.000 2.073 224 R HA -0.127 4.761 4.340 0.913 0.000 0.234 224 R C 1.664 177.906 176.300 -0.096 0.000 1.134 224 R CA 2.154 58.128 56.100 -0.210 0.000 0.952 224 R CB -0.518 29.676 30.300 -0.177 0.000 0.850 224 R HN 0.741 nan 8.270 nan 0.000 0.433 225 E N -0.104 120.081 120.200 -0.025 0.000 2.118 225 E HA -0.117 4.781 4.350 0.913 0.000 0.195 225 E C 1.851 178.505 176.600 0.089 0.000 0.992 225 E CA 1.464 57.867 56.400 0.005 0.000 0.804 225 E CB -0.574 29.127 29.700 0.002 0.000 0.741 225 E HN 0.630 nan 8.360 nan 0.000 0.458 226 G N -0.036 108.857 108.800 0.155 0.000 2.440 226 G HA2 -0.254 4.254 3.960 0.913 0.000 0.218 226 G HA3 -0.254 4.254 3.960 0.913 0.000 0.218 226 G C 0.958 176.021 174.900 0.271 0.000 1.154 226 G CA 0.828 46.066 45.100 0.231 0.000 0.767 226 G HN 0.223 nan 8.290 nan 0.000 0.552 227 W N 0.649 121.906 121.300 -0.073 0.000 2.355 227 W HA -0.029 5.197 4.660 0.943 0.000 0.309 227 W C 2.769 179.203 176.519 -0.141 0.000 1.206 227 W CA 1.005 58.287 57.345 -0.106 0.000 1.284 227 W CB -1.095 28.204 29.460 -0.268 0.000 1.145 227 W HN 0.046 nan 8.180 nan 0.000 0.502 228 V N 0.606 120.459 119.914 -0.101 0.000 2.233 228 V HA -0.327 4.341 4.120 0.913 0.000 0.247 228 V C 2.275 178.496 176.094 0.213 0.000 1.050 228 V CA 1.887 64.166 62.300 -0.035 0.000 1.010 228 V CB -1.352 30.456 31.823 -0.026 0.000 0.637 228 V HN 0.132 nan 8.190 nan 0.000 0.444 229 L N 0.133 121.458 121.223 0.170 0.000 2.079 229 L HA -0.217 4.671 4.340 0.913 0.000 0.210 229 L C 2.727 179.713 176.870 0.194 0.000 1.081 229 L CA 1.599 56.523 54.840 0.139 0.000 0.752 229 L CB -0.834 41.271 42.059 0.077 0.000 0.896 229 L HN 0.395 nan 8.230 nan 0.000 0.433 230 A N 0.331 123.341 122.820 0.317 0.000 1.877 230 A HA -0.269 4.599 4.320 0.913 0.000 0.216 230 A C 2.062 179.782 177.584 0.226 0.000 1.186 230 A CA 2.223 54.448 52.037 0.313 0.000 0.620 230 A CB -0.740 18.393 19.000 0.222 0.000 0.822 230 A HN 0.490 nan 8.150 nan 0.000 0.443 231 N N -0.010 118.859 118.700 0.281 0.000 2.188 231 N HA -0.046 5.242 4.740 0.913 0.000 0.184 231 N C 1.720 177.366 175.510 0.228 0.000 1.018 231 N CA 1.738 54.944 53.050 0.259 0.000 0.858 231 N CB -0.321 38.414 38.487 0.413 0.000 0.989 231 N HN 0.355 nan 8.380 nan 0.000 0.426 232 A N 0.456 123.443 122.820 0.279 0.000 1.877 232 A HA -0.108 4.760 4.320 0.913 0.000 0.216 232 A C 2.117 179.872 177.584 0.285 0.000 1.186 232 A CA 1.382 53.600 52.037 0.302 0.000 0.620 232 A CB -1.058 18.131 19.000 0.315 0.000 0.822 232 A HN 0.396 nan 8.150 nan 0.000 0.443 233 L N -0.566 120.797 121.223 0.233 0.000 2.042 233 L HA -0.155 4.733 4.340 0.913 0.000 0.210 233 L C 2.266 179.191 176.870 0.092 0.000 1.076 233 L CA 2.245 57.163 54.840 0.129 0.000 0.749 233 L CB -0.787 41.291 42.059 0.031 0.000 0.893 233 L HN 0.394 nan 8.230 nan 0.000 0.432 234 L N -0.485 120.813 121.223 0.125 0.000 2.012 234 L HA -0.214 4.673 4.340 0.913 0.000 0.210 234 L C 2.372 179.390 176.870 0.248 0.000 1.073 234 L CA 2.011 56.938 54.840 0.145 0.000 0.748 234 L CB -0.668 41.456 42.059 0.108 0.000 0.891 234 L HN 0.326 nan 8.230 nan 0.000 0.431 235 I N -0.312 120.364 120.570 0.177 0.000 2.142 235 I HA -0.277 4.441 4.170 0.913 0.000 0.240 235 I C 2.091 178.465 176.117 0.429 0.000 1.078 235 I CA 1.527 62.931 61.300 0.173 0.000 1.343 235 I CB -0.623 37.411 38.000 0.057 0.000 1.046 235 I HN 0.276 nan 8.210 nan 0.000 0.405 236 D N 0.875 121.494 120.400 0.364 0.000 2.182 236 D HA -0.141 5.047 4.640 0.913 0.000 0.201 236 D C 2.229 178.729 176.300 0.335 0.000 0.986 236 D CA 1.163 55.403 54.000 0.399 0.000 0.847 236 D CB -0.256 40.742 40.800 0.329 0.000 0.942 236 D HN 0.332 nan 8.370 nan 0.000 0.467 237 L N 0.046 121.374 121.223 0.175 0.000 2.456 237 L HA -0.138 4.750 4.340 0.913 0.000 0.224 237 L C 1.631 178.543 176.870 0.070 0.000 1.148 237 L CA 0.747 55.603 54.840 0.026 0.000 0.825 237 L CB -0.371 41.621 42.059 -0.112 0.000 0.937 237 L HN 0.081 nan 8.230 nan 0.000 0.450 238 H N -1.460 117.646 119.070 0.059 0.000 2.547 238 H HA 0.096 5.199 4.556 0.913 0.000 0.272 238 H C -0.424 174.628 175.328 -0.461 0.000 0.989 238 H CA 0.379 56.302 56.048 -0.207 0.000 1.214 238 H CB -0.021 29.444 29.762 -0.496 0.000 1.389 238 H HN 0.074 nan 8.280 nan 0.000 0.577 239 F N -1.184 118.922 119.950 0.259 0.000 2.482 239 F HA 0.453 5.528 4.527 0.913 0.000 0.331 239 F C 1.164 177.095 175.800 0.219 0.000 1.115 239 F CA -0.779 57.311 58.000 0.151 0.000 0.955 239 F CB 1.477 40.546 39.000 0.115 0.000 1.136 239 F HN -0.064 nan 8.300 nan 0.000 0.452 240 A N 2.349 125.337 122.820 0.279 0.000 1.940 240 A HA -0.234 4.634 4.320 0.913 0.000 0.219 240 A C 2.183 179.918 177.584 0.251 0.000 1.176 240 A CA 1.987 54.230 52.037 0.343 0.000 0.631 240 A CB -0.861 18.232 19.000 0.156 0.000 0.814 240 A HN 0.906 nan 8.150 nan 0.000 0.446 241 Q N -0.336 119.597 119.800 0.220 0.000 2.234 241 Q HA -0.167 4.721 4.340 0.913 0.000 0.206 241 Q C 1.134 177.239 176.000 0.174 0.000 0.980 241 Q CA 1.890 57.794 55.803 0.167 0.000 0.869 241 Q CB -0.777 28.044 28.738 0.138 0.000 0.912 241 Q HN 0.607 nan 8.270 nan 0.000 0.436 242 T N -2.935 111.751 114.554 0.219 0.000 3.228 242 T HA 0.265 5.162 4.350 0.913 0.000 0.278 242 T C -0.067 174.696 174.700 0.104 0.000 1.014 242 T CA -0.366 61.852 62.100 0.196 0.000 0.904 242 T CB 0.221 69.246 68.868 0.262 0.000 1.110 242 T HN 0.160 nan 8.240 nan 0.000 0.541 243 N N 1.784 120.558 118.700 0.123 0.000 2.700 243 N HA 0.276 5.564 4.740 0.913 0.000 0.242 243 N C -2.094 173.443 175.510 0.044 0.000 1.541 243 N CA -1.816 51.252 53.050 0.030 0.000 0.764 243 N CB 1.518 40.017 38.487 0.021 0.000 1.319 243 N HN 0.001 nan 8.380 nan 0.000 0.518 244 P HA -0.062 nan 4.420 nan 0.000 0.216 244 P C 0.129 177.425 177.300 -0.007 0.000 1.153 244 P CA 1.165 64.290 63.100 0.042 0.000 0.848 244 P CB 0.467 32.191 31.700 0.039 0.000 0.787 245 D N 0.135 120.501 120.400 -0.055 0.000 2.363 245 D HA -0.029 5.158 4.640 0.913 0.000 0.226 245 D C 0.451 176.652 176.300 -0.165 0.000 1.020 245 D CA 0.220 54.169 54.000 -0.085 0.000 0.892 245 D CB -0.414 40.338 40.800 -0.080 0.000 0.900 245 D HN 0.302 nan 8.370 nan 0.000 0.531 246 R N 0.626 120.966 120.500 -0.266 0.000 3.251 246 R HA -0.201 4.687 4.340 0.913 0.000 0.249 246 R C -0.577 175.387 176.300 -0.560 0.000 0.949 246 R CA 0.578 56.308 56.100 -0.616 0.000 0.645 246 R CB -2.607 27.414 30.300 -0.464 0.000 1.065 246 R HN 0.209 nan 8.270 nan 0.000 0.452 247 K N 1.504 121.648 120.400 -0.427 0.000 2.297 247 K HA 0.107 4.975 4.320 0.913 0.000 0.286 247 K C 0.761 177.152 176.600 -0.347 0.000 1.053 247 K CA -0.156 55.947 56.287 -0.305 0.000 0.940 247 K CB 0.952 33.329 32.500 -0.205 0.000 1.019 247 K HN 0.304 nan 8.250 nan 0.000 0.475 248 Q N 1.660 121.295 119.800 -0.275 0.000 2.198 248 Q HA 0.083 4.971 4.340 0.913 0.000 0.209 248 Q C -0.494 175.413 176.000 -0.154 0.000 0.848 248 Q CA 0.200 55.863 55.803 -0.234 0.000 0.974 248 Q CB 0.698 29.323 28.738 -0.189 0.000 1.115 248 Q HN 0.280 nan 8.270 nan 0.000 0.494 249 K N 1.354 121.678 120.400 -0.126 0.000 2.358 249 K HA 0.398 5.266 4.320 0.913 0.000 0.260 249 K C -1.478 175.085 176.600 -0.061 0.000 0.956 249 K CA -0.723 55.517 56.287 -0.078 0.000 0.834 249 K CB 1.905 34.373 32.500 -0.054 0.000 1.102 249 K HN -0.066 nan 8.250 nan 0.000 0.431 250 L N 4.685 125.881 121.223 -0.044 0.000 2.362 250 L HA 0.561 5.449 4.340 0.913 0.000 0.275 250 L C -1.331 175.544 176.870 0.008 0.000 0.998 250 L CA -0.471 54.356 54.840 -0.021 0.000 0.820 250 L CB 1.402 43.442 42.059 -0.031 0.000 1.270 250 L HN 0.557 nan 8.230 nan 0.000 0.415 251 I N 6.170 126.763 120.570 0.037 0.000 2.410 251 I HA 0.375 5.093 4.170 0.913 0.000 0.286 251 I C -0.957 175.141 176.117 -0.033 0.000 1.009 251 I CA -0.422 60.910 61.300 0.053 0.000 1.111 251 I CB 1.559 39.668 38.000 0.182 0.000 1.262 251 I HN 0.432 nan 8.210 nan 0.000 0.443 252 L N 5.650 126.836 121.223 -0.060 0.000 2.287 252 L HA 0.433 5.321 4.340 0.913 0.000 0.287 252 L C -0.454 176.310 176.870 -0.177 0.000 1.022 252 L CA -0.458 54.303 54.840 -0.131 0.000 0.814 252 L CB 1.462 43.482 42.059 -0.065 0.000 1.217 252 L HN 0.515 nan 8.230 nan 0.000 0.420 253 D N 4.423 124.634 120.400 -0.316 0.000 2.373 253 D HA 0.273 5.461 4.640 0.913 0.000 0.227 253 D C 0.187 176.363 176.300 -0.206 0.000 1.091 253 D CA -0.225 53.653 54.000 -0.203 0.000 0.840 253 D CB 1.585 42.286 40.800 -0.165 0.000 1.060 253 D HN 0.422 nan 8.370 nan 0.000 0.502 254 L N 2.673 123.815 121.223 -0.136 0.000 2.872 254 L HA 0.113 5.000 4.340 0.913 0.000 0.245 254 L C 1.877 178.710 176.870 -0.062 0.000 1.211 254 L CA -0.179 54.579 54.840 -0.136 0.000 1.013 254 L CB 0.204 42.166 42.059 -0.161 0.000 1.326 254 L HN 0.195 nan 8.230 nan 0.000 0.525 255 S N 0.205 115.888 115.700 -0.028 0.000 2.442 255 S HA -0.146 4.872 4.470 0.913 0.000 0.236 255 S C 1.073 175.684 174.600 0.019 0.000 1.007 255 S CA 1.296 59.507 58.200 0.018 0.000 0.965 255 S CB -0.081 63.142 63.200 0.039 0.000 0.773 255 S HN 0.479 nan 8.310 nan 0.000 0.504 256 D N 0.509 120.908 120.400 -0.002 0.000 2.349 256 D HA 0.132 5.319 4.640 0.913 0.000 0.215 256 D C 0.049 176.374 176.300 0.041 0.000 1.016 256 D CA 0.078 54.087 54.000 0.015 0.000 0.870 256 D CB 0.019 40.818 40.800 -0.003 0.000 0.917 256 D HN 0.240 nan 8.370 nan 0.000 0.524 257 I N 2.789 123.384 120.570 0.042 0.000 2.533 257 I HA 0.013 4.731 4.170 0.913 0.000 0.284 257 I C 1.199 177.386 176.117 0.117 0.000 1.109 257 I CA -0.375 60.988 61.300 0.105 0.000 1.412 257 I CB -0.178 37.871 38.000 0.081 0.000 1.396 257 I HN 0.053 nan 8.210 nan 0.000 0.543 258 R N 8.573 129.156 120.500 0.138 0.000 2.756 258 R HA 0.233 5.121 4.340 0.913 0.000 0.264 258 R C -2.510 173.864 176.300 0.124 0.000 1.026 258 R CA -0.923 55.244 56.100 0.111 0.000 1.121 258 R CB -0.392 29.965 30.300 0.095 0.000 0.999 258 R HN 0.373 nan 8.270 nan 0.000 0.449 259 P HA -0.045 nan 4.420 nan 0.000 0.276 259 P C -1.067 176.319 177.300 0.143 0.000 1.252 259 P CA -0.477 62.703 63.100 0.132 0.000 0.802 259 P CB 0.378 32.149 31.700 0.118 0.000 1.035 260 Y N 0.685 121.020 120.300 0.057 0.000 2.717 260 Y HA 0.262 5.363 4.550 0.919 0.000 0.330 260 Y C 1.583 177.502 175.900 0.032 0.000 1.217 260 Y CA 2.062 60.189 58.100 0.046 0.000 1.506 260 Y CB -0.426 38.058 38.460 0.039 0.000 1.268 260 Y HN 0.857 nan 8.280 nan 0.000 0.561 261 G N 2.925 111.386 108.800 -0.565 0.000 2.234 261 G HA2 -0.215 4.293 3.960 0.913 0.000 0.235 261 G HA3 -0.215 4.293 3.960 0.913 0.000 0.235 261 G C 0.356 175.168 174.900 -0.147 0.000 0.997 261 G CA -0.064 44.832 45.100 -0.341 0.000 0.623 261 G HN 1.326 nan 8.290 nan 0.000 0.514 262 A N 0.482 123.251 122.820 -0.085 0.000 2.448 262 A HA 0.662 5.530 4.320 0.913 0.000 0.239 262 A C 0.768 178.327 177.584 -0.041 0.000 1.080 262 A CA 1.530 53.550 52.037 -0.028 0.000 0.779 262 A CB -0.085 18.922 19.000 0.012 0.000 1.026 262 A HN 2.000 nan 8.150 nan 0.000 0.499 263 E N 0.071 120.270 120.200 -0.002 0.000 2.392 263 E HA 0.533 5.431 4.350 0.913 0.000 0.259 263 E C -0.087 176.543 176.600 0.050 0.000 1.108 263 E CA 0.329 56.740 56.400 0.019 0.000 0.916 263 E CB 0.225 29.951 29.700 0.043 0.000 0.989 263 E HN 1.360 nan 8.360 nan 0.000 0.432 264 I N -1.647 118.968 120.570 0.074 0.000 2.722 264 I HA 0.546 5.264 4.170 0.913 0.000 0.295 264 I C -0.222 176.015 176.117 0.201 0.000 1.161 264 I CA -1.319 60.048 61.300 0.111 0.000 1.032 264 I CB 2.261 40.223 38.000 -0.063 0.000 1.244 264 I HN 0.760 nan 8.210 nan 0.000 0.421 265 H N 2.904 122.037 119.070 0.105 0.000 2.488 265 H HA 0.543 5.200 4.556 0.169 0.000 0.347 265 H C 0.919 176.192 175.328 -0.092 0.000 1.174 265 H CA -0.714 55.372 56.048 0.063 0.000 1.307 265 H CB 1.128 30.986 29.762 0.160 0.000 1.517 265 H HN 1.128 nan 8.280 nan 0.000 0.554 266 G N 0.179 108.647 108.800 -0.554 0.000 2.175 266 G HA2 -0.265 4.242 3.960 0.913 0.000 0.265 266 G HA3 -0.265 4.242 3.960 0.913 0.000 0.265 266 G C -0.456 174.059 174.900 -0.641 0.000 0.979 266 G CA 0.618 45.007 45.100 -1.185 0.000 0.663 266 G HN 0.564 nan 8.290 nan 0.000 0.533 267 F N -1.545 118.338 119.950 -0.111 0.000 2.596 267 F HA 0.566 5.613 4.527 0.866 0.000 0.311 267 F C 1.210 177.004 175.800 -0.009 0.000 1.116 267 F CA -0.146 57.807 58.000 -0.078 0.000 0.957 267 F CB 1.479 40.394 39.000 -0.142 0.000 1.250 267 F HN 0.017 nan 8.300 nan 0.000 0.444 268 G N 1.286 110.140 108.800 0.090 0.000 2.464 268 G HA2 0.235 4.743 3.960 0.913 0.000 0.217 268 G HA3 0.235 4.743 3.960 0.913 0.000 0.217 268 G C 0.859 175.767 174.900 0.013 0.000 1.138 268 G CA 0.517 45.654 45.100 0.062 0.000 0.793 268 G HN 0.892 nan 8.290 nan 0.000 0.539 269 G N -0.273 108.527 108.800 -0.000 0.000 2.553 269 G HA2 0.430 4.938 3.960 0.913 0.000 0.278 269 G HA3 0.430 4.938 3.960 0.913 0.000 0.278 269 G C 0.408 175.264 174.900 -0.073 0.000 1.349 269 G CA 0.560 45.628 45.100 -0.053 0.000 1.037 269 G HN 0.492 nan 8.290 nan 0.000 0.508 270 T N -3.145 111.324 114.554 -0.141 0.000 2.889 270 T HA 0.707 5.604 4.350 0.913 0.000 0.278 270 T C 0.337 174.901 174.700 -0.226 0.000 0.995 270 T CA -0.039 61.952 62.100 -0.181 0.000 0.966 270 T CB 1.289 70.004 68.868 -0.256 0.000 1.237 270 T HN 1.049 nan 8.240 nan 0.000 0.591 271 A N 0.520 123.209 122.820 -0.219 0.000 2.304 271 A HA 0.548 5.416 4.320 0.913 0.000 0.271 271 A C 1.381 178.853 177.584 -0.188 0.000 1.091 271 A CA -0.128 51.805 52.037 -0.172 0.000 0.812 271 A CB 0.269 19.224 19.000 -0.075 0.000 1.056 271 A HN 1.170 nan 8.150 nan 0.000 0.489 272 S N 0.505 116.192 115.700 -0.020 0.000 2.503 272 S HA 0.467 5.485 4.470 0.913 0.000 0.215 272 S C 1.036 175.804 174.600 0.281 0.000 1.003 272 S CA 0.670 58.956 58.200 0.143 0.000 0.910 272 S CB -0.744 62.566 63.200 0.183 0.000 0.790 272 S HN 2.681 nan 8.310 nan 0.000 0.514 273 G N 2.315 111.266 108.800 0.251 0.000 2.746 273 G HA2 -0.097 4.411 3.960 0.913 0.000 0.685 273 G HA3 -0.097 4.411 3.960 0.913 0.000 0.685 273 G C -2.255 172.795 174.900 0.250 0.000 1.350 273 G CA -0.344 44.903 45.100 0.244 0.000 0.837 273 G HN 0.170 nan 8.290 nan 0.000 0.564 274 P HA -0.000 nan 4.420 nan 0.000 0.236 274 P C 1.960 179.225 177.300 -0.058 0.000 1.177 274 P CA 1.111 64.190 63.100 -0.035 0.000 0.773 274 P CB 0.042 31.690 31.700 -0.087 0.000 0.878 275 M N 1.433 121.044 119.600 0.019 0.000 2.088 275 M HA -0.121 4.907 4.480 0.913 0.000 0.256 275 M C -0.428 175.876 176.300 0.006 0.000 1.071 275 M CA 2.882 58.184 55.300 0.004 0.000 1.097 275 M CB -2.742 29.873 32.600 0.025 0.000 1.315 275 M HN 0.056 nan 8.290 nan 0.000 0.406 276 P HA -0.149 nan 4.420 nan 0.000 0.217 276 P C 1.815 179.129 177.300 0.024 0.000 1.150 276 P CA 1.211 64.359 63.100 0.080 0.000 0.832 276 P CB -0.172 31.634 31.700 0.177 0.000 0.787 277 L N -0.271 120.907 121.223 -0.075 0.000 2.083 277 L HA -0.104 4.784 4.340 0.913 0.000 0.209 277 L C 2.547 179.314 176.870 -0.172 0.000 1.083 277 L CA 1.547 56.242 54.840 -0.242 0.000 0.752 277 L CB -1.292 40.267 42.059 -0.833 0.000 0.899 277 L HN -0.191 nan 8.230 nan 0.000 0.433 278 I N -1.088 119.392 120.570 -0.149 0.000 2.163 278 I HA -0.321 4.397 4.170 0.913 0.000 0.243 278 I C 2.344 178.419 176.117 -0.069 0.000 1.085 278 I CA 1.568 62.803 61.300 -0.108 0.000 1.347 278 I CB -0.484 37.462 38.000 -0.090 0.000 1.044 278 I HN 0.226 nan 8.210 nan 0.000 0.408 279 S N 0.377 116.050 115.700 -0.045 0.000 2.399 279 S HA -0.193 4.825 4.470 0.913 0.000 0.231 279 S C 1.960 176.540 174.600 -0.035 0.000 1.022 279 S CA 1.326 59.512 58.200 -0.023 0.000 0.983 279 S CB -0.278 62.922 63.200 0.001 0.000 0.803 279 S HN 0.419 nan 8.310 nan 0.000 0.480 280 M N 0.984 120.554 119.600 -0.050 0.000 2.132 280 M HA -0.041 4.987 4.480 0.913 0.000 0.263 280 M C 1.740 177.985 176.300 -0.092 0.000 1.065 280 M CA 1.457 56.709 55.300 -0.079 0.000 1.122 280 M CB -0.257 32.295 32.600 -0.081 0.000 1.365 280 M HN 0.279 nan 8.290 nan 0.000 0.411 281 L N 0.076 121.254 121.223 -0.075 0.000 2.056 281 L HA -0.207 4.680 4.340 0.913 0.000 0.207 281 L C 2.367 179.203 176.870 -0.056 0.000 1.078 281 L CA 0.931 55.735 54.840 -0.060 0.000 0.749 281 L CB -0.635 41.394 42.059 -0.051 0.000 0.901 281 L HN 0.364 nan 8.230 nan 0.000 0.433 282 L N -0.418 120.774 121.223 -0.053 0.000 1.988 282 L HA -0.224 4.664 4.340 0.913 0.000 0.207 282 L C 2.267 179.102 176.870 -0.059 0.000 1.071 282 L CA 1.285 56.098 54.840 -0.044 0.000 0.744 282 L CB -0.662 41.375 42.059 -0.036 0.000 0.893 282 L HN 0.252 nan 8.230 nan 0.000 0.433 283 D N -0.418 119.940 120.400 -0.070 0.000 2.182 283 D HA -0.155 5.033 4.640 0.913 0.000 0.201 283 D C 2.245 178.461 176.300 -0.140 0.000 0.986 283 D CA 0.930 54.867 54.000 -0.105 0.000 0.847 283 D CB -0.201 40.538 40.800 -0.102 0.000 0.942 283 D HN 0.083 nan 8.370 nan 0.000 0.467 284 V N 0.834 120.664 119.914 -0.140 0.000 2.323 284 V HA -0.205 4.463 4.120 0.913 0.000 0.244 284 V C 2.169 178.169 176.094 -0.156 0.000 1.041 284 V CA 1.480 63.678 62.300 -0.171 0.000 1.025 284 V CB -0.513 31.200 31.823 -0.185 0.000 0.656 284 V HN 0.145 nan 8.190 nan 0.000 0.451 285 N N 0.402 119.044 118.700 -0.097 0.000 2.149 285 N HA -0.209 5.079 4.740 0.913 0.000 0.188 285 N C 1.783 177.270 175.510 -0.039 0.000 1.019 285 N CA 1.769 54.796 53.050 -0.038 0.000 0.857 285 N CB -0.125 38.380 38.487 0.031 0.000 0.997 285 N HN 0.570 nan 8.380 nan 0.000 0.426 286 E N -0.614 119.550 120.200 -0.059 0.000 2.085 286 E HA -0.152 4.746 4.350 0.913 0.000 0.194 286 E C 1.934 178.492 176.600 -0.070 0.000 0.994 286 E CA 1.334 57.701 56.400 -0.056 0.000 0.801 286 E CB -0.065 29.592 29.700 -0.072 0.000 0.743 286 E HN 0.176 nan 8.360 nan 0.000 0.453 287 V N 1.526 121.379 119.914 -0.103 0.000 2.332 287 V HA -0.273 4.395 4.120 0.913 0.000 0.248 287 V C 2.302 178.333 176.094 -0.105 0.000 1.055 287 V CA 1.592 63.832 62.300 -0.100 0.000 1.038 287 V CB -0.448 31.300 31.823 -0.125 0.000 0.651 287 V HN 0.259 nan 8.190 nan 0.000 0.450 288 L N -0.157 120.965 121.223 -0.168 0.000 2.072 288 L HA -0.087 4.801 4.340 0.913 0.000 0.205 288 L C 2.447 179.278 176.870 -0.065 0.000 1.079 288 L CA 1.266 55.978 54.840 -0.213 0.000 0.752 288 L CB -0.709 40.976 42.059 -0.623 0.000 0.906 288 L HN 0.341 nan 8.230 nan 0.000 0.436 289 N N 0.373 119.077 118.700 0.007 0.000 2.166 289 N HA -0.164 5.124 4.740 0.913 0.000 0.186 289 N C 1.551 177.060 175.510 -0.001 0.000 1.019 289 N CA 1.074 54.149 53.050 0.042 0.000 0.856 289 N CB -0.552 37.962 38.487 0.046 0.000 0.993 289 N HN 0.228 nan 8.380 nan 0.000 0.426 290 N N 0.627 119.316 118.700 -0.017 0.000 2.430 290 N HA -0.083 5.205 4.740 0.913 0.000 0.186 290 N C 0.595 176.095 175.510 -0.017 0.000 1.032 290 N CA 0.873 53.913 53.050 -0.018 0.000 0.893 290 N CB 0.097 38.571 38.487 -0.022 0.000 0.957 290 N HN 0.130 nan 8.380 nan 0.000 0.442 291 K N 0.024 120.411 120.400 -0.023 0.000 2.455 291 K HA 0.303 5.171 4.320 0.913 0.000 0.206 291 K C -0.429 176.149 176.600 -0.037 0.000 1.027 291 K CA -0.308 55.965 56.287 -0.023 0.000 1.113 291 K CB 0.461 32.951 32.500 -0.017 0.000 0.850 291 K HN 0.017 nan 8.250 nan 0.000 0.503 292 A N 0.331 123.131 122.820 -0.035 0.000 2.548 292 A HA 0.374 5.242 4.320 0.913 0.000 0.247 292 A C 1.326 178.872 177.584 -0.062 0.000 1.067 292 A CA 1.267 53.272 52.037 -0.052 0.000 0.757 292 A CB -0.387 18.596 19.000 -0.028 0.000 0.996 292 A HN 0.589 nan 8.150 nan 0.000 0.504 293 G N 1.430 110.172 108.800 -0.097 0.000 2.205 293 G HA2 -0.036 4.472 3.960 0.913 0.000 0.261 293 G HA3 -0.036 4.472 3.960 0.913 0.000 0.261 293 G C 0.959 175.824 174.900 -0.058 0.000 0.980 293 G CA 0.840 45.889 45.100 -0.085 0.000 0.632 293 G HN 1.918 nan 8.290 nan 0.000 0.533 294 G N -1.017 107.756 108.800 -0.045 0.000 3.039 294 G HA2 0.695 5.203 3.960 0.913 0.000 0.159 294 G HA3 0.695 5.203 3.960 0.913 0.000 0.159 294 G C -0.549 174.348 174.900 -0.004 0.000 1.284 294 G CA -0.622 44.465 45.100 -0.021 0.000 0.996 294 G HN 0.338 nan 8.290 nan 0.000 0.592 295 R N -0.549 119.959 120.500 0.013 0.000 2.686 295 R HA 0.461 5.349 4.340 0.913 0.000 0.286 295 R C -0.749 175.578 176.300 0.044 0.000 0.969 295 R CA -0.736 55.386 56.100 0.037 0.000 0.898 295 R CB 1.627 31.948 30.300 0.035 0.000 1.183 295 R HN 0.352 nan 8.270 nan 0.000 0.456 296 L N 2.114 123.379 121.223 0.070 0.000 2.349 296 L HA 0.300 5.188 4.340 0.913 0.000 0.275 296 L C 1.263 178.172 176.870 0.065 0.000 1.115 296 L CA -0.112 54.771 54.840 0.072 0.000 0.820 296 L CB 1.108 43.231 42.059 0.108 0.000 1.135 296 L HN 0.750 nan 8.230 nan 0.000 0.445 297 T N -0.821 113.771 114.554 0.063 0.000 2.892 297 T HA 0.484 5.381 4.350 0.913 0.000 0.280 297 T C 1.036 175.780 174.700 0.073 0.000 1.004 297 T CA -0.102 62.035 62.100 0.061 0.000 0.950 297 T CB 1.470 70.377 68.868 0.064 0.000 1.309 297 T HN 0.548 nan 8.240 nan 0.000 0.592 298 A N -0.037 122.823 122.820 0.065 0.000 1.930 298 A HA 0.094 4.962 4.320 0.913 0.000 0.217 298 A C 2.378 180.062 177.584 0.167 0.000 1.175 298 A CA 1.437 53.507 52.037 0.055 0.000 0.627 298 A CB -1.310 17.665 19.000 -0.042 0.000 0.815 298 A HN 0.654 nan 8.150 nan 0.000 0.443 299 V N 0.719 120.750 119.914 0.194 0.000 2.343 299 V HA -0.233 4.435 4.120 0.913 0.000 0.247 299 V C 2.123 178.316 176.094 0.165 0.000 1.051 299 V CA 2.217 64.645 62.300 0.214 0.000 1.036 299 V CB -0.740 31.178 31.823 0.158 0.000 0.654 299 V HN 0.515 nan 8.190 nan 0.000 0.451 300 D N 0.466 120.938 120.400 0.120 0.000 2.097 300 D HA -0.119 5.069 4.640 0.913 0.000 0.197 300 D C 2.264 178.626 176.300 0.103 0.000 0.984 300 D CA 1.672 55.724 54.000 0.086 0.000 0.826 300 D CB -0.243 40.591 40.800 0.055 0.000 0.973 300 D HN 0.440 nan 8.370 nan 0.000 0.460 301 A N 1.500 124.406 122.820 0.144 0.000 1.858 301 A HA -0.093 4.774 4.320 0.913 0.000 0.216 301 A C 2.382 180.087 177.584 0.202 0.000 1.190 301 A CA 2.520 54.685 52.037 0.214 0.000 0.617 301 A CB -0.893 18.219 19.000 0.185 0.000 0.827 301 A HN 0.241 nan 8.150 nan 0.000 0.443 302 A N -0.369 122.592 122.820 0.236 0.000 1.940 302 A HA -0.214 4.654 4.320 0.913 0.000 0.219 302 A C 1.791 179.509 177.584 0.224 0.000 1.176 302 A CA 1.973 54.208 52.037 0.330 0.000 0.631 302 A CB -0.627 18.665 19.000 0.488 0.000 0.814 302 A HN 0.492 nan 8.150 nan 0.000 0.446 303 D N -0.088 120.426 120.400 0.189 0.000 2.144 303 D HA -0.104 5.084 4.640 0.913 0.000 0.199 303 D C 1.868 178.204 176.300 0.060 0.000 0.984 303 D CA 1.063 55.174 54.000 0.185 0.000 0.834 303 D CB -0.237 40.669 40.800 0.177 0.000 0.955 303 D HN 0.540 nan 8.370 nan 0.000 0.465 304 I N 0.341 120.918 120.570 0.012 0.000 2.252 304 I HA -0.267 4.450 4.170 0.913 0.000 0.245 304 I C 2.454 178.533 176.117 -0.063 0.000 1.102 304 I CA 0.602 61.848 61.300 -0.090 0.000 1.385 304 I CB -0.126 37.748 38.000 -0.209 0.000 1.064 304 I HN 0.068 nan 8.210 nan 0.000 0.414 305 C N 0.663 119.948 119.300 -0.025 0.000 2.425 305 C HA -0.136 4.872 4.460 0.913 0.000 0.277 305 C C 2.510 177.444 174.990 -0.094 0.000 1.280 305 C CA 1.034 59.945 59.018 -0.179 0.000 1.744 305 C CB -1.680 25.633 27.740 -0.712 0.000 1.989 305 C HN 0.536 nan 8.230 nan 0.000 0.491 306 N N 0.767 119.467 118.700 0.001 0.000 2.142 306 N HA -0.075 5.213 4.740 0.913 0.000 0.186 306 N C 1.598 177.049 175.510 -0.099 0.000 1.023 306 N CA 1.001 54.045 53.050 -0.010 0.000 0.852 306 N CB -0.193 38.351 38.487 0.095 0.000 0.998 306 N HN 0.479 nan 8.380 nan 0.000 0.424 307 L N 0.997 122.162 121.223 -0.096 0.000 2.083 307 L HA -0.134 4.754 4.340 0.913 0.000 0.209 307 L C 2.159 178.920 176.870 -0.181 0.000 1.083 307 L CA 0.861 55.600 54.840 -0.168 0.000 0.752 307 L CB -0.341 41.584 42.059 -0.223 0.000 0.899 307 L HN 0.207 nan 8.230 nan 0.000 0.433 308 I N -0.289 120.147 120.570 -0.222 0.000 2.142 308 I HA -0.204 4.514 4.170 0.913 0.000 0.240 308 I C 2.683 178.685 176.117 -0.192 0.000 1.078 308 I CA 1.498 62.595 61.300 -0.339 0.000 1.343 308 I CB -1.001 36.735 38.000 -0.439 0.000 1.046 308 I HN 0.271 nan 8.210 nan 0.000 0.405 309 G N 0.959 109.688 108.800 -0.118 0.000 2.469 309 G HA2 -0.332 4.176 3.960 0.913 0.000 0.219 309 G HA3 -0.332 4.176 3.960 0.913 0.000 0.219 309 G C 1.706 176.588 174.900 -0.029 0.000 1.150 309 G CA 1.095 46.173 45.100 -0.037 0.000 0.763 309 G HN 0.347 nan 8.290 nan 0.000 0.561 310 K N 0.624 120.946 120.400 -0.130 0.000 2.057 310 K HA 0.021 4.889 4.320 0.913 0.000 0.207 310 K C 2.758 179.409 176.600 0.085 0.000 1.049 310 K CA 1.352 57.598 56.287 -0.068 0.000 0.931 310 K CB -0.335 32.060 32.500 -0.174 0.000 0.714 310 K HN 0.218 nan 8.250 nan 0.000 0.440 311 A N 0.639 123.487 122.820 0.045 0.000 1.930 311 A HA -0.080 4.788 4.320 0.913 0.000 0.217 311 A C 2.189 179.896 177.584 0.205 0.000 1.175 311 A CA 1.508 53.624 52.037 0.131 0.000 0.627 311 A CB -0.485 18.583 19.000 0.114 0.000 0.815 311 A HN 0.184 nan 8.150 nan 0.000 0.443 312 V N -0.379 119.634 119.914 0.165 0.000 2.515 312 V HA -0.180 4.488 4.120 0.913 0.000 0.250 312 V C 2.436 178.583 176.094 0.089 0.000 1.058 312 V CA 1.811 64.196 62.300 0.142 0.000 1.064 312 V CB -0.534 31.373 31.823 0.139 0.000 0.675 312 V HN 0.368 nan 8.190 nan 0.000 0.461 313 V N -0.767 119.226 119.914 0.133 0.000 2.719 313 V HA 0.104 4.771 4.120 0.913 0.000 0.252 313 V C 1.749 177.917 176.094 0.124 0.000 1.065 313 V CA 0.813 63.199 62.300 0.143 0.000 1.086 313 V CB -0.815 31.163 31.823 0.257 0.000 0.700 313 V HN 0.651 nan 8.190 nan 0.000 0.467 314 A N 0.560 123.470 122.820 0.151 0.000 5.483 314 A HA -0.265 4.603 4.320 0.913 0.000 0.309 314 A C 1.462 179.121 177.584 0.124 0.000 1.898 314 A CA 1.088 53.211 52.037 0.144 0.000 0.716 314 A CB -1.955 17.124 19.000 0.131 0.000 1.309 314 A HN 1.305 nan 8.150 nan 0.000 0.380 315 G N 0.109 108.978 108.800 0.116 0.000 3.458 315 G HA2 0.632 5.140 3.960 0.913 0.000 0.256 315 G HA3 0.632 5.140 3.960 0.913 0.000 0.256 315 G C 0.001 174.932 174.900 0.053 0.000 0.938 315 G CA 1.891 47.043 45.100 0.087 0.000 1.890 315 G HN 2.060 nan 8.290 nan 0.000 0.639 322 E N -0.700 119.600 120.200 0.167 0.000 2.392 322 E HA 0.726 5.624 4.350 0.913 0.000 0.269 322 E C -1.387 175.273 176.600 0.099 0.000 0.924 322 E CA -0.802 55.717 56.400 0.198 0.000 0.784 322 E CB 2.742 32.639 29.700 0.330 0.000 1.292 322 E HN 0.317 nan 8.360 nan 0.000 0.447 323 L N 1.022 122.237 121.223 -0.012 0.000 2.441 323 L HA 0.689 5.577 4.340 0.913 0.000 0.270 323 L C -1.536 175.014 176.870 -0.534 0.000 0.973 323 L CA -0.544 54.216 54.840 -0.133 0.000 0.842 323 L CB 1.320 43.352 42.059 -0.045 0.000 1.239 323 L HN 0.722 nan 8.230 nan 0.000 0.406 324 A N 5.247 127.791 122.820 -0.461 0.000 2.252 324 A HA 0.583 5.451 4.320 0.913 0.000 0.309 324 A C -1.083 176.444 177.584 -0.094 0.000 1.285 324 A CA -0.447 51.207 52.037 -0.637 0.000 0.900 324 A CB 0.903 19.904 19.000 0.002 0.000 1.157 324 A HN 0.619 nan 8.150 nan 0.000 0.536 325 L N 3.696 124.792 121.223 -0.212 0.000 2.265 325 L HA 0.744 5.632 4.340 0.913 0.000 0.289 325 L C 0.400 177.115 176.870 -0.259 0.000 1.033 325 L CA 0.276 55.067 54.840 -0.082 0.000 0.814 325 L CB 1.053 43.081 42.059 -0.052 0.000 1.203 325 L HN 0.696 nan 8.230 nan 0.000 0.423 326 G N 2.414 111.001 108.800 -0.355 0.000 2.685 326 G HA2 0.537 5.045 3.960 0.913 0.000 0.298 326 G HA3 0.537 5.045 3.960 0.913 0.000 0.298 326 G C -1.113 173.639 174.900 -0.248 0.000 1.277 326 G CA -0.715 43.958 45.100 -0.712 0.000 0.986 326 G HN 0.557 nan 8.290 nan 0.000 0.487 327 S N -0.328 115.246 115.700 -0.210 0.000 2.562 327 S HA 0.041 5.059 4.470 0.913 0.000 0.281 327 S C 1.537 176.125 174.600 -0.019 0.000 1.333 327 S CA -0.080 58.063 58.200 -0.095 0.000 1.052 327 S CB 1.025 64.183 63.200 -0.070 0.000 0.884 327 S HN 0.753 nan 8.310 nan 0.000 0.506 328 N N 1.730 120.389 118.700 -0.068 0.000 2.520 328 N HA -0.134 5.154 4.740 0.913 0.000 0.185 328 N C 0.572 176.119 175.510 0.061 0.000 1.068 328 N CA 0.914 53.931 53.050 -0.054 0.000 0.911 328 N CB -0.077 38.217 38.487 -0.322 0.000 0.961 328 N HN 0.681 nan 8.380 nan 0.000 0.446 329 D N -1.693 118.743 120.400 0.060 0.000 2.395 329 D HA -0.040 5.148 4.640 0.913 0.000 0.213 329 D C -0.521 175.825 176.300 0.075 0.000 1.110 329 D CA -0.214 53.833 54.000 0.079 0.000 0.835 329 D CB -0.302 40.538 40.800 0.067 0.000 0.965 329 D HN 0.139 nan 8.370 nan 0.000 0.505 330 D N 1.639 122.094 120.400 0.092 0.000 2.494 330 D HA 0.015 5.203 4.640 0.913 0.000 0.217 330 D C 1.207 177.597 176.300 0.149 0.000 1.153 330 D CA -0.211 53.855 54.000 0.111 0.000 0.954 330 D CB 0.969 41.834 40.800 0.108 0.000 1.034 330 D HN -0.150 nan 8.370 nan 0.000 0.518 331 Q N 1.754 121.616 119.800 0.103 0.000 2.181 331 Q HA -0.152 4.736 4.340 0.913 0.000 0.205 331 Q C 0.897 176.949 176.000 0.086 0.000 0.980 331 Q CA 1.125 56.979 55.803 0.086 0.000 0.862 331 Q CB 0.093 28.867 28.738 0.061 0.000 0.905 331 Q HN 0.553 nan 8.270 nan 0.000 0.429 332 D N -0.040 120.423 120.400 0.104 0.000 2.092 332 D HA -0.146 5.042 4.640 0.913 0.000 0.193 332 D C 1.588 177.969 176.300 0.135 0.000 0.994 332 D CA 0.806 54.868 54.000 0.103 0.000 0.828 332 D CB -0.446 40.419 40.800 0.108 0.000 0.963 332 D HN 0.191 nan 8.370 nan 0.000 0.450 333 F N 1.448 121.415 119.950 0.029 0.000 2.031 333 F HA -0.140 4.934 4.527 0.912 0.000 0.295 333 F C 2.206 178.021 175.800 0.025 0.000 1.133 333 F CA 1.250 59.268 58.000 0.031 0.000 1.188 333 F CB -0.652 38.365 39.000 0.030 0.000 0.974 333 F HN -0.112 nan 8.300 nan 0.000 0.473 334 I N -0.099 120.426 120.570 -0.075 0.000 2.229 334 I HA -0.380 4.338 4.170 0.913 0.000 0.250 334 I C 1.888 177.902 176.117 -0.172 0.000 1.096 334 I CA 1.846 63.037 61.300 -0.182 0.000 1.358 334 I CB -0.845 37.163 38.000 0.013 0.000 1.047 334 I HN 0.142 nan 8.210 nan 0.000 0.422 335 S N 0.592 116.241 115.700 -0.085 0.000 2.577 335 S HA 0.128 5.146 4.470 0.913 0.000 0.219 335 S C 1.730 176.288 174.600 -0.069 0.000 0.962 335 S CA -0.019 58.146 58.200 -0.059 0.000 0.921 335 S CB 0.007 63.200 63.200 -0.012 0.000 0.789 335 S HN 0.495 nan 8.310 nan 0.000 0.497 336 M N 0.841 120.375 119.600 -0.110 0.000 2.279 336 M HA 0.048 5.076 4.480 0.913 0.000 0.264 336 M C 1.235 177.484 176.300 -0.086 0.000 1.062 336 M CA 1.566 56.819 55.300 -0.078 0.000 1.099 336 M CB -0.618 31.943 32.600 -0.066 0.000 1.394 336 M HN -0.033 nan 8.290 nan 0.000 0.426 337 K N 0.413 120.747 120.400 -0.109 0.000 2.444 337 K HA 0.061 4.929 4.320 0.913 0.000 0.193 337 K C 1.648 178.223 176.600 -0.041 0.000 1.024 337 K CA 0.343 56.585 56.287 -0.075 0.000 1.077 337 K CB 0.057 32.511 32.500 -0.078 0.000 0.833 337 K HN 0.575 nan 8.250 nan 0.000 0.517 338 Q N 0.791 120.568 119.800 -0.038 0.000 2.435 338 Q HA -0.069 4.819 4.340 0.913 0.000 0.207 338 Q C 0.068 176.063 176.000 -0.008 0.000 0.956 338 Q CA 0.380 56.172 55.803 -0.017 0.000 0.917 338 Q CB 0.232 28.962 28.738 -0.013 0.000 0.997 338 Q HN 0.149 nan 8.270 nan 0.000 0.497 339 D N 0.690 121.082 120.400 -0.013 0.000 2.435 339 D HA -0.034 5.154 4.640 0.913 0.000 0.230 339 D C 0.824 177.127 176.300 0.004 0.000 1.215 339 D CA 0.087 54.084 54.000 -0.003 0.000 0.947 339 D CB 0.678 41.473 40.800 -0.007 0.000 1.048 339 D HN -0.015 nan 8.370 nan 0.000 0.512 340 Q N 2.851 122.659 119.800 0.014 0.000 2.012 340 Q HA -0.276 4.612 4.340 0.913 0.000 0.211 340 Q C 1.568 177.594 176.000 0.043 0.000 1.009 340 Q CA 1.723 57.542 55.803 0.026 0.000 0.866 340 Q CB -0.445 28.307 28.738 0.024 0.000 0.945 340 Q HN 0.778 nan 8.270 nan 0.000 0.414 341 E N 0.622 120.847 120.200 0.043 0.000 2.086 341 E HA -0.249 4.649 4.350 0.913 0.000 0.205 341 E C 1.779 178.435 176.600 0.093 0.000 1.027 341 E CA 1.792 58.230 56.400 0.063 0.000 0.830 341 E CB 0.045 29.772 29.700 0.044 0.000 0.751 341 E HN 0.279 nan 8.360 nan 0.000 0.456 342 K N -0.159 120.270 120.400 0.049 0.000 2.228 342 K HA -0.090 4.777 4.320 0.913 0.000 0.202 342 K C 2.228 178.796 176.600 -0.052 0.000 1.051 342 K CA 0.581 56.877 56.287 0.014 0.000 0.960 342 K CB -0.080 32.392 32.500 -0.047 0.000 0.743 342 K HN 0.172 nan 8.250 nan 0.000 0.458 343 L N 1.156 122.381 121.223 0.003 0.000 2.056 343 L HA -0.084 4.804 4.340 0.913 0.000 0.207 343 L C 2.103 179.114 176.870 0.235 0.000 1.078 343 L CA 1.591 56.461 54.840 0.051 0.000 0.749 343 L CB -0.206 41.885 42.059 0.054 0.000 0.901 343 L HN 0.120 nan 8.230 nan 0.000 0.433 344 M N -1.677 118.045 119.600 0.202 0.000 2.229 344 M HA -0.190 4.838 4.480 0.913 0.000 0.264 344 M C 2.226 178.749 176.300 0.370 0.000 1.063 344 M CA 1.375 56.816 55.300 0.235 0.000 1.114 344 M CB -0.550 32.128 32.600 0.130 0.000 1.387 344 M HN 0.422 nan 8.290 nan 0.000 0.420 345 H N -0.481 118.737 119.070 0.247 0.000 2.372 345 H HA -0.099 5.005 4.556 0.913 0.000 0.301 345 H C 1.374 176.910 175.328 0.347 0.000 1.065 345 H CA 1.940 58.166 56.048 0.298 0.000 1.364 345 H CB 0.437 30.360 29.762 0.268 0.000 1.406 345 H HN 0.589 nan 8.280 nan 0.000 0.521 346 H N -2.409 116.721 119.070 0.101 0.000 3.170 346 H HA 0.143 5.246 4.556 0.913 0.000 0.215 346 H C 1.459 176.432 175.328 -0.591 0.000 1.055 346 H CA -0.284 55.511 56.048 -0.421 0.000 0.998 346 H CB -0.025 29.678 29.762 -0.099 0.000 1.059 346 H HN 0.099 nan 8.280 nan 0.000 0.700 347 R N 1.656 121.724 120.500 -0.721 0.000 2.328 347 R HA -0.001 4.887 4.340 0.913 0.000 0.207 347 R C 1.558 177.743 176.300 -0.192 0.000 1.056 347 R CA 1.347 57.195 56.100 -0.420 0.000 1.016 347 R CB -0.205 29.900 30.300 -0.325 0.000 0.872 347 R HN 0.525 nan 8.270 nan 0.000 0.471 348 W N -0.716 120.560 121.300 -0.040 0.000 2.678 348 W HA 0.157 5.363 4.660 0.910 0.000 0.256 348 W C 1.226 177.760 176.519 0.025 0.000 1.280 348 W CA 0.344 57.683 57.345 -0.011 0.000 1.345 348 W CB -0.345 29.107 29.460 -0.013 0.000 1.118 348 W HN -0.032 nan 8.180 nan 0.000 0.629 349 A N 1.440 123.995 122.820 -0.442 0.000 2.186 349 A HA -0.043 4.825 4.320 0.913 0.000 0.219 349 A C 1.153 178.752 177.584 0.024 0.000 1.159 349 A CA 1.501 53.348 52.037 -0.317 0.000 0.680 349 A CB -0.759 17.915 19.000 -0.543 0.000 0.787 349 A HN 0.313 nan 8.150 nan 0.000 0.467 350 S N -1.175 114.560 115.700 0.059 0.000 2.579 350 S HA 0.571 5.589 4.470 0.913 0.000 0.272 350 S C -1.260 173.380 174.600 0.066 0.000 1.141 350 S CA -1.090 57.169 58.200 0.097 0.000 0.843 350 S CB 1.199 64.486 63.200 0.145 0.000 1.122 350 S HN 0.160 nan 8.310 nan 0.000 0.468 351 N N 2.208 120.936 118.700 0.047 0.000 2.408 351 N HA 0.443 5.731 4.740 0.913 0.000 0.280 351 N C -1.278 174.229 175.510 -0.004 0.000 1.002 351 N CA -0.473 52.591 53.050 0.023 0.000 0.907 351 N CB 1.214 39.719 38.487 0.031 0.000 1.161 351 N HN 0.595 nan 8.380 nan 0.000 0.488 352 N N 0.377 119.055 118.700 -0.036 0.000 2.443 352 N HA 0.416 5.704 4.740 0.913 0.000 0.295 352 N C -0.568 174.944 175.510 0.005 0.000 1.076 352 N CA -0.183 52.844 53.050 -0.038 0.000 0.919 352 N CB 1.454 39.765 38.487 -0.293 0.000 1.176 352 N HN 0.316 nan 8.380 nan 0.000 0.487 353 S N -0.270 115.491 115.700 0.102 0.000 2.595 353 S HA 0.626 5.644 4.470 0.913 0.000 0.281 353 S C -0.478 174.221 174.600 0.164 0.000 1.117 353 S CA -0.836 57.416 58.200 0.088 0.000 0.873 353 S CB 1.788 65.010 63.200 0.038 0.000 1.108 353 S HN 0.358 nan 8.310 nan 0.000 0.477 354 V N -0.367 119.595 119.914 0.080 0.000 2.667 354 V HA 0.987 5.655 4.120 0.913 0.000 0.308 354 V C 0.051 176.091 176.094 -0.091 0.000 1.048 354 V CA -1.104 61.214 62.300 0.030 0.000 0.928 354 V CB 0.964 32.776 31.823 -0.017 0.000 1.004 354 V HN 1.014 nan 8.190 nan 0.000 0.444 355 A N 3.684 126.425 122.820 -0.131 0.000 2.327 355 A HA 0.886 5.754 4.320 0.913 0.000 0.283 355 A C 0.041 177.453 177.584 -0.287 0.000 1.127 355 A CA 0.124 52.062 52.037 -0.165 0.000 0.810 355 A CB 0.980 19.903 19.000 -0.129 0.000 1.066 355 A HN 2.259 nan 8.150 nan 0.000 0.492 356 V N -0.376 119.369 119.914 -0.282 0.000 3.165 356 V HA 0.893 5.561 4.120 0.913 0.000 0.309 356 V C -1.200 174.807 176.094 -0.145 0.000 1.267 356 V CA -0.570 61.489 62.300 -0.401 0.000 1.067 356 V CB 2.091 33.525 31.823 -0.649 0.000 1.082 356 V HN 0.998 nan 8.190 nan 0.000 0.451 357 D N -0.851 119.521 120.400 -0.046 0.000 2.566 357 D HA 0.424 5.612 4.640 0.913 0.000 0.254 357 D C 0.535 176.887 176.300 0.087 0.000 1.090 357 D CA -0.021 54.002 54.000 0.039 0.000 1.034 357 D CB 1.674 42.505 40.800 0.052 0.000 1.434 357 D HN 0.402 nan 8.370 nan 0.000 0.509 358 S N -0.357 115.371 115.700 0.046 0.000 2.419 358 S HA -0.044 4.974 4.470 0.913 0.000 0.233 358 S C 1.761 176.320 174.600 -0.067 0.000 1.016 358 S CA 1.141 59.291 58.200 -0.084 0.000 0.974 358 S CB -0.311 62.819 63.200 -0.117 0.000 0.786 358 S HN 0.658 nan 8.310 nan 0.000 0.492 359 A N 0.633 123.480 122.820 0.045 0.000 2.206 359 A HA 0.226 5.094 4.320 0.913 0.000 0.211 359 A C 0.591 178.213 177.584 0.063 0.000 1.158 359 A CA -0.146 51.925 52.037 0.057 0.000 0.761 359 A CB -0.529 18.514 19.000 0.071 0.000 0.801 359 A HN 0.400 nan 8.150 nan 0.000 0.473 360 F N 1.864 121.768 119.950 -0.076 0.000 2.608 360 F HA 0.197 5.272 4.527 0.914 0.000 0.380 360 F C 1.327 177.001 175.800 -0.209 0.000 1.083 360 F CA 0.410 58.303 58.000 -0.179 0.000 1.266 360 F CB 0.830 39.658 39.000 -0.287 0.000 1.076 360 F HN 0.079 nan 8.300 nan 0.000 0.574 361 S N 2.308 117.449 115.700 -0.930 0.000 2.687 361 S HA 0.196 5.214 4.470 0.913 0.000 0.247 361 S C 1.360 175.473 174.600 -0.810 0.000 1.050 361 S CA 0.210 58.037 58.200 -0.622 0.000 1.063 361 S CB 0.049 63.093 63.200 -0.260 0.000 1.039 361 S HN 0.808 nan 8.310 nan 0.000 0.580 362 G N 0.803 108.721 108.800 -1.471 0.000 3.352 362 G HA2 0.160 4.668 3.960 0.913 0.000 0.236 362 G HA3 0.160 4.668 3.960 0.913 0.000 0.236 362 G C 0.301 174.904 174.900 -0.495 0.000 1.324 362 G CA -0.148 44.465 45.100 -0.812 0.000 1.404 362 G HN 0.461 nan 8.290 nan 0.000 0.542 363 Y N -0.391 119.736 120.300 -0.289 0.000 2.421 363 Y HA -0.154 4.943 4.550 0.913 0.000 0.292 363 Y C 2.744 178.654 175.900 0.017 0.000 1.136 363 Y CA 1.230 59.336 58.100 0.010 0.000 1.255 363 Y CB -0.163 38.303 38.460 0.011 0.000 0.991 363 Y HN 0.444 nan 8.280 nan 0.000 0.552 364 Q N 0.803 120.657 119.800 0.090 0.000 2.030 364 Q HA -0.183 4.705 4.340 0.913 0.000 0.204 364 Q C -0.575 175.465 176.000 0.066 0.000 0.986 364 Q CA 2.255 58.093 55.803 0.058 0.000 0.843 364 Q CB -0.846 27.900 28.738 0.012 0.000 0.904 364 Q HN 0.274 nan 8.270 nan 0.000 0.420 365 P HA -0.106 nan 4.420 nan 0.000 0.222 365 P C 1.149 178.509 177.300 0.100 0.000 1.153 365 P CA 1.070 64.212 63.100 0.070 0.000 0.798 365 P CB -0.036 31.701 31.700 0.062 0.000 0.796 366 I N 0.550 121.208 120.570 0.147 0.000 2.163 366 I HA -0.201 4.517 4.170 0.913 0.000 0.240 366 I C 2.647 178.852 176.117 0.147 0.000 1.081 366 I CA 1.431 62.832 61.300 0.169 0.000 1.353 366 I CB -0.946 37.209 38.000 0.258 0.000 1.054 366 I HN -0.094 nan 8.210 nan 0.000 0.407 367 A N 0.912 123.820 122.820 0.147 0.000 1.948 367 A HA -0.230 4.637 4.320 0.913 0.000 0.220 367 A C 2.535 180.165 177.584 0.078 0.000 1.177 367 A CA 2.008 54.104 52.037 0.098 0.000 0.636 367 A CB -0.834 18.201 19.000 0.059 0.000 0.815 367 A HN 0.469 nan 8.150 nan 0.000 0.449 368 A N -0.625 122.239 122.820 0.073 0.000 1.908 368 A HA 0.084 4.952 4.320 0.913 0.000 0.218 368 A C 2.390 180.018 177.584 0.074 0.000 1.181 368 A CA 2.044 54.119 52.037 0.062 0.000 0.627 368 A CB -1.287 17.744 19.000 0.052 0.000 0.818 368 A HN 0.732 nan 8.150 nan 0.000 0.445 369 G N -0.273 108.575 108.800 0.080 0.000 2.394 369 G HA2 -0.086 4.422 3.960 0.913 0.000 0.215 369 G HA3 -0.086 4.422 3.960 0.913 0.000 0.215 369 G C 1.529 176.489 174.900 0.100 0.000 1.165 369 G CA 0.916 46.061 45.100 0.075 0.000 0.784 369 G HN 0.458 nan 8.290 nan 0.000 0.535 370 I N 0.461 121.108 120.570 0.129 0.000 2.163 370 I HA -0.202 4.516 4.170 0.913 0.000 0.243 370 I C 2.913 179.190 176.117 0.267 0.000 1.085 370 I CA 1.072 62.485 61.300 0.188 0.000 1.347 370 I CB -0.218 37.911 38.000 0.215 0.000 1.044 370 I HN 0.084 nan 8.210 nan 0.000 0.408 371 R N 0.251 120.893 120.500 0.237 0.000 2.249 371 R HA -0.210 4.678 4.340 0.913 0.000 0.230 371 R C 2.036 178.465 176.300 0.215 0.000 1.121 371 R CA 1.234 57.505 56.100 0.286 0.000 0.997 371 R CB -0.239 30.147 30.300 0.143 0.000 0.867 371 R HN 0.542 nan 8.270 nan 0.000 0.465 372 E N 0.517 120.803 120.200 0.143 0.000 2.132 372 E HA -0.090 4.808 4.350 0.913 0.000 0.193 372 E C 0.909 177.551 176.600 0.069 0.000 0.951 372 E CA 1.151 57.607 56.400 0.093 0.000 0.843 372 E CB 0.310 30.050 29.700 0.067 0.000 0.807 372 E HN 0.419 nan 8.360 nan 0.000 0.467 373 N N -2.069 116.672 118.700 0.068 0.000 2.266 373 N HA 0.182 5.470 4.740 0.913 0.000 0.217 373 N C 0.977 176.509 175.510 0.038 0.000 1.211 373 N CA 0.616 53.688 53.050 0.037 0.000 0.881 373 N CB 1.282 39.784 38.487 0.025 0.000 1.153 373 N HN 0.212 nan 8.380 nan 0.000 0.489 374 G N -0.860 107.988 108.800 0.079 0.000 2.192 374 G HA2 -0.168 4.339 3.960 0.913 0.000 0.193 374 G HA3 -0.168 4.339 3.960 0.913 0.000 0.193 374 G C -0.734 174.214 174.900 0.079 0.000 0.999 374 G CA -0.117 45.035 45.100 0.087 0.000 0.659 374 G HN 0.277 nan 8.290 nan 0.000 0.503 375 E N 0.704 120.941 120.200 0.062 0.000 2.299 375 E HA 0.591 5.488 4.350 0.913 0.000 0.265 375 E C -2.525 174.105 176.600 0.049 0.000 0.911 375 E CA -1.785 54.639 56.400 0.040 0.000 0.789 375 E CB 2.592 32.293 29.700 0.002 0.000 1.246 375 E HN 0.217 nan 8.360 nan 0.000 0.427 376 P HA 0.215 nan 4.420 nan 0.000 0.278 376 P C 0.072 177.406 177.300 0.057 0.000 1.258 376 P CA -0.312 62.804 63.100 0.027 0.000 0.811 376 P CB 0.868 32.580 31.700 0.020 0.000 1.063 377 G N 0.258 109.085 108.800 0.044 0.000 2.580 377 G HA2 0.564 5.072 3.960 0.913 0.000 0.278 377 G HA3 0.564 5.072 3.960 0.913 0.000 0.278 377 G C -0.581 174.350 174.900 0.053 0.000 1.212 377 G CA -0.731 44.399 45.100 0.050 0.000 0.939 377 G HN 0.461 nan 8.290 nan 0.000 0.513 378 I N -0.765 119.836 120.570 0.052 0.000 2.647 378 I HA 0.383 5.101 4.170 0.913 0.000 0.295 378 I C -0.948 175.177 176.117 0.013 0.000 1.078 378 I CA -0.882 60.443 61.300 0.042 0.000 1.048 378 I CB 2.681 40.749 38.000 0.113 0.000 1.239 378 I HN 0.106 nan 8.210 nan 0.000 0.421 379 V N 4.415 124.313 119.914 -0.026 0.000 2.482 379 V HA 0.333 5.001 4.120 0.913 0.000 0.295 379 V C -0.428 175.631 176.094 -0.059 0.000 1.026 379 V CA -0.688 61.586 62.300 -0.044 0.000 0.856 379 V CB 1.909 33.691 31.823 -0.068 0.000 1.001 379 V HN 0.680 nan 8.190 nan 0.000 0.424 380 N N 4.591 123.271 118.700 -0.034 0.000 2.645 380 N HA 0.333 5.621 4.740 0.913 0.000 0.233 380 N C 0.804 176.294 175.510 -0.034 0.000 1.058 380 N CA -0.237 52.797 53.050 -0.026 0.000 0.942 380 N CB 1.175 39.672 38.487 0.016 0.000 1.210 380 N HN 0.689 nan 8.380 nan 0.000 0.512 381 L N 1.066 122.256 121.223 -0.055 0.000 2.201 381 L HA -0.104 4.783 4.340 0.913 0.000 0.212 381 L C 1.873 178.731 176.870 -0.019 0.000 1.105 381 L CA 0.610 55.413 54.840 -0.061 0.000 0.775 381 L CB -0.243 41.767 42.059 -0.081 0.000 0.913 381 L HN 0.424 nan 8.230 nan 0.000 0.440 382 D N 1.047 121.454 120.400 0.012 0.000 2.108 382 D HA -0.210 4.978 4.640 0.913 0.000 0.190 382 D C 2.243 178.608 176.300 0.109 0.000 0.995 382 D CA 1.698 55.738 54.000 0.066 0.000 0.834 382 D CB -0.107 40.747 40.800 0.090 0.000 0.967 382 D HN 0.207 nan 8.370 nan 0.000 0.446 383 L N 0.108 121.401 121.223 0.116 0.000 2.083 383 L HA -0.126 4.761 4.340 0.913 0.000 0.209 383 L C 2.680 179.622 176.870 0.120 0.000 1.083 383 L CA 1.046 55.987 54.840 0.168 0.000 0.752 383 L CB -0.440 41.640 42.059 0.035 0.000 0.899 383 L HN 0.004 nan 8.230 nan 0.000 0.433 384 S N -0.109 115.608 115.700 0.028 0.000 2.382 384 S HA -0.160 4.858 4.470 0.913 0.000 0.228 384 S C 1.898 176.482 174.600 -0.026 0.000 1.027 384 S CA 1.243 59.435 58.200 -0.014 0.000 0.991 384 S CB -0.106 63.057 63.200 -0.062 0.000 0.823 384 S HN 0.412 nan 8.310 nan 0.000 0.469 385 K N 1.053 121.434 120.400 -0.031 0.000 2.228 385 K HA 0.143 5.011 4.320 0.913 0.000 0.202 385 K C 0.644 177.176 176.600 -0.113 0.000 1.051 385 K CA 0.619 56.867 56.287 -0.065 0.000 0.960 385 K CB -0.012 32.454 32.500 -0.056 0.000 0.743 385 K HN 0.229 nan 8.250 nan 0.000 0.458 386 N N -0.239 118.386 118.700 -0.125 0.000 2.238 386 N HA 0.085 5.372 4.740 0.913 0.000 0.222 386 N C -1.033 174.156 175.510 -0.535 0.000 1.133 386 N CA 0.194 52.992 53.050 -0.420 0.000 0.854 386 N CB 0.648 38.742 38.487 -0.655 0.000 1.041 386 N HN 0.067 nan 8.380 nan 0.000 0.510 387 Y N -1.104 119.069 120.300 -0.212 0.000 2.513 387 Y HA 0.479 5.577 4.550 0.913 0.000 0.340 387 Y C 0.896 176.722 175.900 -0.124 0.000 1.055 387 Y CA -0.957 57.049 58.100 -0.158 0.000 1.020 387 Y CB 1.767 40.167 38.460 -0.100 0.000 1.301 387 Y HN -0.115 nan 8.280 nan 0.000 0.453 388 G N 1.749 110.585 108.800 0.061 0.000 3.380 388 G HA2 0.296 4.804 3.960 0.913 0.000 0.188 388 G HA3 0.296 4.804 3.960 0.913 0.000 0.188 388 G C -0.428 174.448 174.900 -0.039 0.000 1.892 388 G CA -0.745 44.355 45.100 0.000 0.000 0.912 388 G HN 0.476 nan 8.290 nan 0.000 0.609 389 R N 0.132 120.543 120.500 -0.149 0.000 2.543 389 R HA 0.178 5.066 4.340 0.913 0.000 0.277 389 R C 1.483 177.708 176.300 -0.124 0.000 1.074 389 R CA -0.741 55.207 56.100 -0.254 0.000 1.076 389 R CB 1.108 31.130 30.300 -0.463 0.000 0.993 389 R HN 0.220 nan 8.270 nan 0.000 0.459 390 I N 2.526 122.983 120.570 -0.188 0.000 2.423 390 I HA -0.205 4.513 4.170 0.913 0.000 0.254 390 I C 2.134 178.184 176.117 -0.112 0.000 1.151 390 I CA 1.300 62.502 61.300 -0.164 0.000 1.421 390 I CB -0.715 37.128 38.000 -0.261 0.000 1.079 390 I HN 0.473 nan 8.210 nan 0.000 0.431 391 V N 0.851 120.616 119.914 -0.247 0.000 3.041 391 V HA -0.135 4.533 4.120 0.913 0.000 0.260 391 V C 1.391 177.447 176.094 -0.064 0.000 1.105 391 V CA 1.411 63.589 62.300 -0.204 0.000 1.125 391 V CB -0.402 31.217 31.823 -0.340 0.000 0.730 391 V HN 0.253 nan 8.190 nan 0.000 0.479 392 D N 0.676 121.049 120.400 -0.044 0.000 2.340 392 D HA 0.279 5.467 4.640 0.913 0.000 0.220 392 D C 1.099 177.419 176.300 0.034 0.000 1.039 392 D CA 1.002 54.999 54.000 -0.006 0.000 0.866 392 D CB 0.086 40.869 40.800 -0.028 0.000 0.913 392 D HN 0.575 nan 8.370 nan 0.000 0.523 393 G N 0.625 109.497 108.800 0.120 0.000 2.877 393 G HA2 -0.312 4.196 3.960 0.913 0.000 0.279 393 G HA3 -0.312 4.196 3.960 0.913 0.000 0.279 393 G C -0.436 174.389 174.900 -0.125 0.000 1.431 393 G CA -0.681 44.512 45.100 0.156 0.000 0.883 393 G HN 0.238 nan 8.290 nan 0.000 0.547 394 Y N 1.057 121.129 120.300 -0.381 0.000 2.620 394 Y HA 0.411 5.509 4.550 0.914 0.000 0.330 394 Y C 1.161 176.802 175.900 -0.432 0.000 1.186 394 Y CA 1.183 58.827 58.100 -0.760 0.000 1.467 394 Y CB 0.520 38.764 38.460 -0.359 0.000 1.262 394 Y HN 0.498 nan 8.280 nan 0.000 0.550 395 Q N 5.546 124.846 119.800 -0.832 0.000 3.255 395 Q HA 0.415 5.303 4.340 0.913 0.000 0.231 395 Q C -0.641 175.027 176.000 -0.552 0.000 0.935 395 Q CA -0.709 54.823 55.803 -0.451 0.000 0.714 395 Q CB 1.249 29.808 28.738 -0.299 0.000 1.345 395 Q HN 0.895 nan 8.270 nan 0.000 0.463 396 A N 0.999 123.547 122.820 -0.453 0.000 2.589 396 A HA 0.186 5.054 4.320 0.913 0.000 0.259 396 A C 1.366 178.831 177.584 -0.198 0.000 1.000 396 A CA 1.325 53.203 52.037 -0.266 0.000 0.847 396 A CB -0.634 18.398 19.000 0.054 0.000 0.885 396 A HN 1.064 nan 8.150 nan 0.000 0.508 397 G N 2.280 110.959 108.800 -0.202 0.000 2.321 397 G HA2 -0.315 4.193 3.960 0.913 0.000 0.287 397 G HA3 -0.315 4.193 3.960 0.913 0.000 0.287 397 G C 0.723 175.548 174.900 -0.124 0.000 1.018 397 G CA 0.555 45.578 45.100 -0.129 0.000 0.855 397 G HN 1.504 nan 8.290 nan 0.000 0.507 398 I N -1.412 119.060 120.570 -0.164 0.000 2.454 398 I HA -0.030 4.688 4.170 0.913 0.000 0.254 398 I C 1.056 177.117 176.117 -0.093 0.000 1.156 398 I CA 1.919 63.146 61.300 -0.123 0.000 1.433 398 I CB 0.222 38.139 38.000 -0.139 0.000 1.082 398 I HN 0.141 nan 8.210 nan 0.000 0.432 399 D N -0.110 120.231 120.400 -0.099 0.000 2.945 399 D HA 0.219 5.407 4.640 0.913 0.000 0.366 399 D C 1.218 177.469 176.300 -0.082 0.000 1.352 399 D CA 0.184 54.133 54.000 -0.084 0.000 0.810 399 D CB 0.453 41.206 40.800 -0.079 0.000 1.170 399 D HN 0.269 nan 8.370 nan 0.000 0.461 400 G N 0.118 108.872 108.800 -0.077 0.000 2.535 400 G HA2 -0.214 4.294 3.960 0.913 0.000 0.218 400 G HA3 -0.214 4.294 3.960 0.913 0.000 0.218 400 G C 1.122 175.988 174.900 -0.057 0.000 1.122 400 G CA 0.314 45.376 45.100 -0.065 0.000 0.769 400 G HN 0.201 nan 8.290 nan 0.000 0.549 401 D N -0.073 120.291 120.400 -0.060 0.000 2.340 401 D HA 0.090 5.278 4.640 0.913 0.000 0.220 401 D C 0.944 177.207 176.300 -0.061 0.000 1.039 401 D CA -0.071 53.898 54.000 -0.053 0.000 0.866 401 D CB 0.470 41.240 40.800 -0.050 0.000 0.913 401 D HN 0.055 nan 8.370 nan 0.000 0.523 402 V N 1.172 121.034 119.914 -0.086 0.000 2.572 402 V HA 0.034 4.702 4.120 0.913 0.000 0.291 402 V C 1.223 177.224 176.094 -0.156 0.000 1.039 402 V CA 0.552 62.770 62.300 -0.136 0.000 1.055 402 V CB 1.422 33.160 31.823 -0.142 0.000 0.969 402 V HN 0.058 nan 8.190 nan 0.000 0.482 403 E N 2.404 122.442 120.200 -0.270 0.000 2.603 403 E HA 0.361 5.259 4.350 0.913 0.000 0.224 403 E C 0.638 176.868 176.600 -0.616 0.000 0.896 403 E CA 0.491 56.742 56.400 -0.248 0.000 1.224 403 E CB 1.594 31.343 29.700 0.081 0.000 1.206 403 E HN 0.881 nan 8.360 nan 0.000 0.576 404 G N 0.087 108.195 108.800 -1.152 0.000 2.500 404 G HA2 0.351 4.859 3.960 0.913 0.000 0.299 404 G HA3 0.351 4.859 3.960 0.913 0.000 0.299 404 G C -1.253 173.148 174.900 -0.832 0.000 1.242 404 G CA 0.015 44.398 45.100 -1.195 0.000 0.859 404 G HN -0.076 nan 8.290 nan 0.000 0.481 405 T N -0.096 114.161 114.554 -0.496 0.000 2.816 405 T HA 0.501 5.398 4.350 0.913 0.000 0.299 405 T C -0.706 174.006 174.700 0.020 0.000 1.230 405 T CA -0.376 61.609 62.100 -0.192 0.000 1.007 405 T CB 1.276 70.067 68.868 -0.128 0.000 1.289 405 T HN 0.965 nan 8.240 nan 0.000 0.508 406 N N 2.170 120.899 118.700 0.048 0.000 2.354 406 N HA 0.192 5.480 4.740 0.913 0.000 0.246 406 N C -2.070 173.487 175.510 0.079 0.000 1.285 406 N CA -1.044 52.071 53.050 0.108 0.000 0.925 406 N CB 0.160 38.688 38.487 0.068 0.000 1.174 406 N HN 0.259 nan 8.380 nan 0.000 0.478 407 P HA -0.057 nan 4.420 nan 0.000 0.217 407 P C 0.816 178.144 177.300 0.047 0.000 1.148 407 P CA 1.250 64.394 63.100 0.073 0.000 0.828 407 P CB 0.120 31.878 31.700 0.097 0.000 0.783 408 C N -2.903 116.422 119.300 0.040 0.000 2.594 408 C HA 0.378 5.386 4.460 0.913 0.000 0.265 408 C C 1.816 176.815 174.990 0.015 0.000 1.351 408 C CA 0.616 59.650 59.018 0.026 0.000 1.744 408 C CB -1.597 26.154 27.740 0.019 0.000 1.890 408 C HN 0.430 nan 8.230 nan 0.000 0.551 409 G N 1.868 110.673 108.800 0.009 0.000 2.198 409 G HA2 -0.255 4.253 3.960 0.913 0.000 0.260 409 G HA3 -0.255 4.253 3.960 0.913 0.000 0.260 409 G C 0.777 175.668 174.900 -0.015 0.000 1.025 409 G CA 0.824 45.919 45.100 -0.009 0.000 0.769 409 G HN 0.694 nan 8.290 nan 0.000 0.507 410 E N -0.563 119.630 120.200 -0.010 0.000 2.415 410 E HA 0.136 5.034 4.350 0.913 0.000 0.197 410 E C 0.771 177.357 176.600 -0.023 0.000 1.007 410 E CA 0.224 56.619 56.400 -0.010 0.000 0.890 410 E CB 0.340 30.041 29.700 0.002 0.000 0.891 410 E HN 0.431 nan 8.360 nan 0.000 0.496 411 I N 1.977 122.527 120.570 -0.034 0.000 2.441 411 I HA 0.240 4.957 4.170 0.913 0.000 0.295 411 I C -0.219 175.853 176.117 -0.076 0.000 0.994 411 I CA -0.988 60.282 61.300 -0.050 0.000 1.144 411 I CB 1.690 39.661 38.000 -0.049 0.000 1.314 411 I HN -0.146 nan 8.210 nan 0.000 0.445 412 S N 6.988 122.635 115.700 -0.088 0.000 2.416 412 S HA 0.590 5.608 4.470 0.913 0.000 0.287 412 S C -0.067 174.454 174.600 -0.132 0.000 1.139 412 S CA -0.454 57.674 58.200 -0.121 0.000 1.058 412 S CB 0.328 63.467 63.200 -0.101 0.000 0.967 412 S HN 0.309 nan 8.310 nan 0.000 0.495 413 L N 2.501 123.609 121.223 -0.192 0.000 2.342 413 L HA 0.758 5.645 4.340 0.913 0.000 0.271 413 L C 0.453 177.221 176.870 -0.170 0.000 1.008 413 L CA -0.843 53.911 54.840 -0.143 0.000 0.818 413 L CB 1.670 43.709 42.059 -0.034 0.000 1.296 413 L HN 0.644 nan 8.230 nan 0.000 0.427 414 A N 1.541 124.345 122.820 -0.027 0.000 2.274 414 A HA 0.367 5.235 4.320 0.913 0.000 0.297 414 A C -0.292 177.427 177.584 0.225 0.000 1.191 414 A CA -0.456 51.600 52.037 0.032 0.000 0.889 414 A CB 0.313 19.307 19.000 -0.011 0.000 1.294 414 A HN 0.750 nan 8.150 nan 0.000 0.506 415 N N -0.785 118.006 118.700 0.151 0.000 2.475 415 N HA 0.396 5.684 4.740 0.913 0.000 0.267 415 N C 0.912 176.343 175.510 -0.131 0.000 1.169 415 N CA 1.544 54.615 53.050 0.035 0.000 0.947 415 N CB 0.433 38.870 38.487 -0.083 0.000 1.061 415 N HN 1.429 nan 8.380 nan 0.000 0.466 416 G N 1.872 110.496 108.800 -0.293 0.000 2.162 416 G HA2 -0.291 4.217 3.960 0.913 0.000 0.260 416 G HA3 -0.291 4.217 3.960 0.913 0.000 0.260 416 G C 0.009 174.985 174.900 0.127 0.000 0.976 416 G CA 0.329 45.190 45.100 -0.397 0.000 0.655 416 G HN 0.682 nan 8.290 nan 0.000 0.533 417 E N 1.308 121.608 120.200 0.168 0.000 2.266 417 E HA 0.532 5.429 4.350 0.913 0.000 0.277 417 E C -2.307 174.368 176.600 0.125 0.000 1.018 417 E CA -2.083 54.395 56.400 0.130 0.000 0.840 417 E CB 1.982 31.701 29.700 0.032 0.000 1.082 417 E HN 0.226 nan 8.360 nan 0.000 0.395 418 P HA 0.180 nan 4.420 nan 0.000 0.292 418 P C -0.460 176.609 177.300 -0.386 0.000 1.300 418 P CA -0.757 61.937 63.100 -0.677 0.000 0.900 418 P CB 0.887 31.758 31.700 -1.381 0.000 1.139 419 c N 1.277 119.662 118.600 -0.359 0.000 2.652 419 c HA 0.547 5.665 4.570 0.913 0.000 0.412 419 c C 0.528 174.524 174.090 -0.156 0.000 1.294 419 c CA -0.266 55.953 56.329 -0.183 0.000 2.127 419 c CB -1.191 41.243 42.510 -0.127 0.000 2.691 419 c HN 0.632 nan 8.230 nan 0.000 0.615 420 N N 2.216 120.876 118.700 -0.066 0.000 2.727 420 N HA 0.452 5.740 4.740 0.913 0.000 0.252 420 N C -0.900 174.646 175.510 0.061 0.000 1.283 420 N CA -0.336 52.717 53.050 0.005 0.000 0.782 420 N CB 0.095 38.589 38.487 0.011 0.000 1.199 420 N HN 0.828 nan 8.380 nan 0.000 0.520 421 L N 0.814 122.080 121.223 0.072 0.000 2.387 421 L HA 0.703 5.591 4.340 0.913 0.000 0.266 421 L C -0.627 176.345 176.870 0.170 0.000 1.059 421 L CA -1.044 53.851 54.840 0.092 0.000 0.801 421 L CB 0.973 43.047 42.059 0.026 0.000 1.223 421 L HN 0.279 nan 8.230 nan 0.000 0.456 422 F N 0.376 120.288 119.950 -0.064 0.000 2.623 422 F HA 0.321 5.394 4.527 0.911 0.000 0.323 422 F C -0.641 175.033 175.800 -0.211 0.000 1.158 422 F CA -0.480 57.420 58.000 -0.166 0.000 1.030 422 F CB 1.761 40.660 39.000 -0.167 0.000 1.280 422 F HN 0.450 nan 8.300 nan 0.000 0.474 423 E N 4.140 123.924 120.200 -0.693 0.000 2.175 423 E HA 0.679 5.577 4.350 0.913 0.000 0.278 423 E C -1.582 174.497 176.600 -0.869 0.000 0.969 423 E CA -0.719 55.281 56.400 -0.667 0.000 0.796 423 E CB 1.764 31.038 29.700 -0.710 0.000 1.104 423 E HN 0.457 nan 8.360 nan 0.000 0.395 424 V N 4.847 124.308 119.914 -0.756 0.000 2.495 424 V HA 0.347 5.015 4.120 0.913 0.000 0.298 424 V C -0.919 174.650 176.094 -0.875 0.000 1.031 424 V CA -0.679 61.143 62.300 -0.796 0.000 0.871 424 V CB 1.188 32.484 31.823 -0.879 0.000 0.988 424 V HN 0.588 nan 8.190 nan 0.000 0.432 425 F N 5.622 125.328 119.950 -0.406 0.000 2.310 425 F HA 0.406 5.480 4.527 0.912 0.000 0.365 425 F C -1.577 173.967 175.800 -0.428 0.000 1.080 425 F CA -2.369 55.411 58.000 -0.368 0.000 1.187 425 F CB 1.077 39.889 39.000 -0.313 0.000 1.465 425 F HN 0.366 nan 8.300 nan 0.000 0.496 426 P HA -0.263 nan 4.420 nan 0.000 0.216 426 P C 2.048 179.108 177.300 -0.399 0.000 1.154 426 P CA 1.144 63.827 63.100 -0.696 0.000 0.865 426 P CB 0.358 30.987 31.700 -1.784 0.000 0.789 427 L N -0.742 120.330 121.223 -0.251 0.000 1.994 427 L HA -0.157 4.731 4.340 0.913 0.000 0.208 427 L C 2.237 179.102 176.870 -0.009 0.000 1.071 427 L CA 1.825 56.708 54.840 0.071 0.000 0.745 427 L CB -1.248 40.898 42.059 0.144 0.000 0.892 427 L HN -0.105 nan 8.230 nan 0.000 0.431 428 I N -0.564 119.930 120.570 -0.127 0.000 2.179 428 I HA -0.306 4.412 4.170 0.913 0.000 0.242 428 I C 2.591 178.678 176.117 -0.051 0.000 1.088 428 I CA 1.187 62.357 61.300 -0.216 0.000 1.357 428 I CB -0.770 36.994 38.000 -0.394 0.000 1.051 428 I HN 0.362 nan 8.210 nan 0.000 0.409 429 A N 0.620 123.407 122.820 -0.054 0.000 1.908 429 A HA -0.235 4.632 4.320 0.913 0.000 0.218 429 A C 2.240 179.934 177.584 0.183 0.000 1.181 429 A CA 1.797 53.839 52.037 0.008 0.000 0.627 429 A CB -0.590 18.314 19.000 -0.160 0.000 0.818 429 A HN 0.465 nan 8.150 nan 0.000 0.445 430 E N -0.331 119.949 120.200 0.132 0.000 2.047 430 E HA -0.197 4.701 4.350 0.913 0.000 0.191 430 E C 1.983 178.682 176.600 0.165 0.000 0.987 430 E CA 1.304 57.813 56.400 0.182 0.000 0.799 430 E CB -0.270 29.549 29.700 0.199 0.000 0.752 430 E HN 0.732 nan 8.360 nan 0.000 0.449 431 E N 0.687 120.968 120.200 0.135 0.000 2.209 431 E HA -0.175 4.723 4.350 0.913 0.000 0.196 431 E C 1.893 178.575 176.600 0.136 0.000 0.993 431 E CA 0.626 57.101 56.400 0.126 0.000 0.819 431 E CB 0.034 29.806 29.700 0.120 0.000 0.745 431 E HN 0.200 nan 8.360 nan 0.000 0.477 432 Q N -0.628 119.278 119.800 0.177 0.000 2.444 432 Q HA 0.016 4.904 4.340 0.913 0.000 0.206 432 Q C 1.083 177.166 176.000 0.138 0.000 0.948 432 Q CA 0.779 56.703 55.803 0.202 0.000 0.946 432 Q CB 1.079 30.007 28.738 0.317 0.000 1.027 432 Q HN 0.458 nan 8.270 nan 0.000 0.513 433 G N 0.152 109.029 108.800 0.129 0.000 2.141 433 G HA2 -0.211 4.297 3.960 0.913 0.000 0.231 433 G HA3 -0.211 4.297 3.960 0.913 0.000 0.231 433 G C -0.476 174.424 174.900 -0.000 0.000 0.984 433 G CA -0.153 44.962 45.100 0.026 0.000 0.660 433 G HN 0.224 nan 8.290 nan 0.000 0.525 434 W N 0.695 122.023 121.300 0.047 0.000 2.237 434 W HA 0.567 5.775 4.660 0.914 0.000 0.335 434 W C 0.360 176.915 176.519 0.060 0.000 1.230 434 W CA -0.244 57.129 57.345 0.046 0.000 1.253 434 W CB 0.626 30.103 29.460 0.028 0.000 1.129 434 W HN 0.101 nan 8.180 nan 0.000 0.590 435 D N 2.148 122.758 120.400 0.349 0.000 2.316 435 D HA 0.069 5.257 4.640 0.913 0.000 0.245 435 D C 0.914 177.385 176.300 0.285 0.000 1.171 435 D CA 0.035 54.184 54.000 0.248 0.000 0.856 435 D CB 0.936 41.850 40.800 0.190 0.000 1.090 435 D HN 0.407 nan 8.370 nan 0.000 0.476 436 L N 2.724 124.103 121.223 0.259 0.000 2.349 436 L HA -0.163 4.725 4.340 0.913 0.000 0.220 436 L C 2.290 179.372 176.870 0.352 0.000 1.130 436 L CA 0.733 55.750 54.840 0.295 0.000 0.791 436 L CB -0.307 41.947 42.059 0.325 0.000 0.918 436 L HN 0.564 nan 8.230 nan 0.000 0.444 437 Q N 1.016 120.965 119.800 0.247 0.000 2.046 437 Q HA -0.263 4.625 4.340 0.913 0.000 0.200 437 Q C 1.939 178.054 176.000 0.192 0.000 0.975 437 Q CA 2.055 57.980 55.803 0.204 0.000 0.836 437 Q CB 0.016 28.837 28.738 0.138 0.000 0.896 437 Q HN 0.624 nan 8.270 nan 0.000 0.428 438 E N -0.542 119.770 120.200 0.187 0.000 2.077 438 E HA -0.130 4.768 4.350 0.913 0.000 0.193 438 E C 2.111 178.754 176.600 0.072 0.000 0.989 438 E CA 1.309 57.807 56.400 0.164 0.000 0.800 438 E CB 0.097 29.959 29.700 0.271 0.000 0.746 438 E HN 0.200 nan 8.360 nan 0.000 0.452 439 V N 0.447 120.374 119.914 0.022 0.000 2.255 439 V HA -0.262 4.406 4.120 0.913 0.000 0.247 439 V C 2.064 177.996 176.094 -0.268 0.000 1.051 439 V CA 2.023 64.158 62.300 -0.274 0.000 1.018 439 V CB -0.634 30.954 31.823 -0.392 0.000 0.641 439 V HN 0.324 nan 8.190 nan 0.000 0.445 440 F N 0.274 120.189 119.950 -0.057 0.000 2.407 440 F HA 0.012 5.087 4.527 0.914 0.000 0.299 440 F C 2.265 178.038 175.800 -0.044 0.000 1.097 440 F CA 0.958 58.947 58.000 -0.018 0.000 1.422 440 F CB -0.645 38.391 39.000 0.060 0.000 1.067 440 F HN 0.082 nan 8.300 nan 0.000 0.539 441 A N 0.231 123.105 122.820 0.090 0.000 1.872 441 A HA -0.085 4.782 4.320 0.913 0.000 0.214 441 A C 2.182 179.708 177.584 -0.096 0.000 1.187 441 A CA 1.183 53.224 52.037 0.008 0.000 0.614 441 A CB -0.963 18.044 19.000 0.011 0.000 0.826 441 A HN 0.346 nan 8.150 nan 0.000 0.442 442 L N -0.598 120.542 121.223 -0.138 0.000 2.083 442 L HA -0.196 4.692 4.340 0.913 0.000 0.209 442 L C 3.092 179.745 176.870 -0.363 0.000 1.083 442 L CA 1.016 55.725 54.840 -0.218 0.000 0.752 442 L CB -0.546 41.389 42.059 -0.208 0.000 0.899 442 L HN 0.443 nan 8.230 nan 0.000 0.433 443 A N 0.115 122.679 122.820 -0.428 0.000 1.883 443 A HA -0.208 4.660 4.320 0.913 0.000 0.217 443 A C 2.552 179.870 177.584 -0.444 0.000 1.186 443 A CA 1.865 53.447 52.037 -0.758 0.000 0.624 443 A CB -0.784 18.041 19.000 -0.291 0.000 0.822 443 A HN 0.402 nan 8.150 nan 0.000 0.444 444 A N -0.181 122.545 122.820 -0.157 0.000 1.883 444 A HA -0.189 4.679 4.320 0.913 0.000 0.217 444 A C 2.240 179.800 177.584 -0.040 0.000 1.186 444 A CA 1.695 53.710 52.037 -0.037 0.000 0.624 444 A CB -0.473 18.543 19.000 0.028 0.000 0.822 444 A HN 0.563 nan 8.150 nan 0.000 0.444 445 R N -2.336 118.086 120.500 -0.130 0.000 2.115 445 R HA -0.113 4.775 4.340 0.913 0.000 0.230 445 R C 2.141 178.406 176.300 -0.058 0.000 1.111 445 R CA 1.506 57.502 56.100 -0.174 0.000 0.976 445 R CB -0.490 29.509 30.300 -0.502 0.000 0.870 445 R HN 0.699 nan 8.270 nan 0.000 0.445 446 Y N 1.192 121.318 120.300 -0.291 0.000 2.114 446 Y HA -0.172 4.925 4.550 0.912 0.000 0.284 446 Y C 2.274 178.102 175.900 -0.119 0.000 1.143 446 Y CA 1.378 59.316 58.100 -0.269 0.000 1.135 446 Y CB -0.433 37.663 38.460 -0.607 0.000 0.980 446 Y HN 0.027 nan 8.280 nan 0.000 0.499 447 A N -0.201 122.715 122.820 0.161 0.000 2.015 447 A HA -0.148 4.720 4.320 0.913 0.000 0.219 447 A C 2.116 179.778 177.584 0.131 0.000 1.163 447 A CA 1.720 53.873 52.037 0.193 0.000 0.646 447 A CB -0.611 18.481 19.000 0.153 0.000 0.806 447 A HN 0.423 nan 8.150 nan 0.000 0.448 448 K N 0.266 120.749 120.400 0.137 0.000 2.001 448 K HA -0.047 4.821 4.320 0.913 0.000 0.208 448 K C 2.097 178.852 176.600 0.259 0.000 1.048 448 K CA 1.578 57.990 56.287 0.209 0.000 0.932 448 K CB -0.322 32.375 32.500 0.328 0.000 0.715 448 K HN 0.427 nan 8.250 nan 0.000 0.437 449 R N -0.212 120.396 120.500 0.180 0.000 2.127 449 R HA -0.098 4.790 4.340 0.913 0.000 0.238 449 R C 2.085 178.471 176.300 0.143 0.000 1.134 449 R CA 1.294 57.458 56.100 0.106 0.000 0.975 449 R CB -0.437 29.830 30.300 -0.054 0.000 0.865 449 R HN 0.049 nan 8.270 nan 0.000 0.447 450 V N 0.933 120.893 119.914 0.076 0.000 2.594 450 V HA -0.227 4.441 4.120 0.913 0.000 0.253 450 V C 2.528 178.755 176.094 0.222 0.000 1.069 450 V CA 2.206 64.566 62.300 0.101 0.000 1.082 450 V CB -0.700 31.187 31.823 0.107 0.000 0.680 450 V HN 0.563 nan 8.190 nan 0.000 0.469 451 T N -2.454 112.244 114.554 0.241 0.000 3.007 451 T HA -0.127 4.770 4.350 0.913 0.000 0.270 451 T C 1.267 176.063 174.700 0.159 0.000 1.107 451 T CA 1.088 63.298 62.100 0.184 0.000 1.118 451 T CB -0.513 68.355 68.868 0.001 0.000 0.889 451 T HN 0.381 nan 8.240 nan 0.000 0.506 452 F N 2.952 122.969 119.950 0.112 0.000 2.692 452 F HA 0.364 5.438 4.527 0.910 0.000 0.303 452 F C 1.489 177.331 175.800 0.070 0.000 1.114 452 F CA -0.781 57.269 58.000 0.082 0.000 1.361 452 F CB -0.255 38.751 39.000 0.008 0.000 1.063 452 F HN 0.243 nan 8.300 nan 0.000 0.550 453 S N -0.307 115.512 115.700 0.199 0.000 2.632 453 S HA 0.433 5.451 4.470 0.913 0.000 0.267 453 S C -2.661 171.847 174.600 -0.154 0.000 1.276 453 S CA -1.483 56.709 58.200 -0.013 0.000 0.998 453 S CB 0.899 64.031 63.200 -0.114 0.000 0.953 453 S HN -0.152 nan 8.310 nan 0.000 0.547 454 P HA 0.303 nan 4.420 nan 0.000 0.271 454 P C -1.343 175.748 177.300 -0.348 0.000 1.220 454 P CA 0.084 63.091 63.100 -0.156 0.000 0.768 454 P CB -0.020 31.623 31.700 -0.096 0.000 0.848 455 Y N 1.075 121.441 120.300 0.111 0.000 2.393 455 Y HA 0.206 5.310 4.550 0.922 0.000 0.341 455 Y C 1.310 177.283 175.900 0.122 0.000 0.988 455 Y CA -0.230 57.975 58.100 0.176 0.000 1.078 455 Y CB 1.464 40.066 38.460 0.237 0.000 1.203 455 Y HN 0.325 nan 8.280 nan 0.000 0.453 456 D N 1.571 122.110 120.400 0.232 0.000 2.194 456 D HA -0.073 5.114 4.640 0.913 0.000 0.204 456 D C -0.503 175.780 176.300 -0.029 0.000 0.964 456 D CA 1.055 55.066 54.000 0.018 0.000 0.846 456 D CB 0.122 40.833 40.800 -0.148 0.000 0.962 456 D HN 0.411 nan 8.370 nan 0.000 0.490 457 W N 1.646 123.038 121.300 0.153 0.000 2.390 457 W HA 0.293 5.499 4.660 0.910 0.000 0.312 457 W C 1.611 178.202 176.519 0.121 0.000 1.123 457 W CA -0.778 56.656 57.345 0.148 0.000 1.202 457 W CB 0.869 30.467 29.460 0.230 0.000 1.251 457 W HN -0.144 nan 8.180 nan 0.000 0.511 458 E N 1.991 122.355 120.200 0.274 0.000 2.097 458 E HA -0.300 4.597 4.350 0.913 0.000 0.196 458 E C 1.868 178.552 176.600 0.140 0.000 1.000 458 E CA 1.851 58.350 56.400 0.164 0.000 0.804 458 E CB 0.055 29.823 29.700 0.114 0.000 0.740 458 E HN 0.586 nan 8.360 nan 0.000 0.454 459 I N 0.679 121.338 120.570 0.149 0.000 2.163 459 I HA -0.276 4.442 4.170 0.913 0.000 0.243 459 I C 2.147 178.291 176.117 0.044 0.000 1.085 459 I CA 1.677 63.001 61.300 0.039 0.000 1.347 459 I CB -0.314 37.642 38.000 -0.073 0.000 1.044 459 I HN -0.005 nan 8.210 nan 0.000 0.408 460 S N 0.637 116.426 115.700 0.149 0.000 2.355 460 S HA -0.135 4.883 4.470 0.913 0.000 0.222 460 S C 2.063 176.670 174.600 0.012 0.000 1.031 460 S CA 1.205 59.496 58.200 0.153 0.000 0.993 460 S CB -0.404 63.045 63.200 0.414 0.000 0.859 460 S HN 0.461 nan 8.310 nan 0.000 0.453 461 R N 0.975 121.530 120.500 0.092 0.000 2.105 461 R HA -0.091 4.797 4.340 0.913 0.000 0.239 461 R C 2.263 178.547 176.300 -0.026 0.000 1.135 461 R CA 1.303 57.428 56.100 0.041 0.000 0.967 461 R CB -0.249 30.119 30.300 0.114 0.000 0.861 461 R HN 0.552 nan 8.270 nan 0.000 0.442 462 E N 0.278 120.473 120.200 -0.008 0.000 2.033 462 E HA -0.151 4.747 4.350 0.913 0.000 0.189 462 E C 1.914 178.477 176.600 -0.061 0.000 0.979 462 E CA 0.691 57.073 56.400 -0.031 0.000 0.802 462 E CB -0.101 29.591 29.700 -0.014 0.000 0.763 462 E HN 0.100 nan 8.360 nan 0.000 0.449 463 I N 1.352 121.885 120.570 -0.062 0.000 2.361 463 I HA -0.225 4.493 4.170 0.913 0.000 0.251 463 I C 1.894 177.943 176.117 -0.112 0.000 1.133 463 I CA 1.182 62.437 61.300 -0.076 0.000 1.413 463 I CB -0.013 37.951 38.000 -0.060 0.000 1.073 463 I HN 0.092 nan 8.210 nan 0.000 0.424 464 I N -0.234 120.242 120.570 -0.157 0.000 2.233 464 I HA -0.266 4.452 4.170 0.913 0.000 0.243 464 I C 2.397 178.396 176.117 -0.196 0.000 1.093 464 I CA 1.263 62.431 61.300 -0.220 0.000 1.380 464 I CB -0.457 37.313 38.000 -0.384 0.000 1.067 464 I HN 0.282 nan 8.210 nan 0.000 0.413 465 Q N 1.718 121.414 119.800 -0.173 0.000 2.226 465 Q HA -0.245 4.642 4.340 0.913 0.000 0.204 465 Q C 1.972 177.892 176.000 -0.133 0.000 0.975 465 Q CA 1.772 57.474 55.803 -0.168 0.000 0.866 465 Q CB -0.170 28.495 28.738 -0.121 0.000 0.915 465 Q HN 0.381 nan 8.270 nan 0.000 0.440 466 K N -1.041 119.292 120.400 -0.111 0.000 2.067 466 K HA -0.014 4.854 4.320 0.913 0.000 0.203 466 K C 1.155 177.698 176.600 -0.096 0.000 1.048 466 K CA 1.225 57.458 56.287 -0.090 0.000 0.954 466 K CB 0.134 32.590 32.500 -0.074 0.000 0.737 466 K HN 0.223 nan 8.250 nan 0.000 0.444 467 N N 0.506 119.141 118.700 -0.109 0.000 2.402 467 N HA 0.010 5.298 4.740 0.913 0.000 0.174 467 N C -0.226 175.206 175.510 -0.131 0.000 1.027 467 N CA 0.270 53.252 53.050 -0.114 0.000 0.891 467 N CB 0.168 38.589 38.487 -0.111 0.000 1.016 467 N HN 0.075 nan 8.380 nan 0.000 0.439 468 R N 1.001 121.416 120.500 -0.142 0.000 3.610 468 R HA -0.204 4.684 4.340 0.913 0.000 0.274 468 R C -0.071 176.156 176.300 -0.123 0.000 1.123 468 R CA 0.221 56.240 56.100 -0.136 0.000 0.747 468 R CB -2.194 28.035 30.300 -0.118 0.000 1.149 468 R HN 0.448 nan 8.270 nan 0.000 0.471 469 R N 1.409 121.829 120.500 -0.133 0.000 2.585 469 R HA 0.144 5.032 4.340 0.913 0.000 0.275 469 R C 0.861 177.104 176.300 -0.095 0.000 1.018 469 R CA 0.521 56.539 56.100 -0.136 0.000 1.072 469 R CB 0.302 30.528 30.300 -0.123 0.000 0.953 469 R HN 0.397 nan 8.270 nan 0.000 0.419 470 I N -0.062 120.450 120.570 -0.097 0.000 2.785 470 I HA 0.623 5.341 4.170 0.913 0.000 0.302 470 I C -0.159 175.953 176.117 -0.008 0.000 1.069 470 I CA -1.021 60.266 61.300 -0.023 0.000 1.045 470 I CB 2.573 40.578 38.000 0.009 0.000 1.236 470 I HN 0.637 nan 8.210 nan 0.000 0.429 471 G N 6.358 115.182 108.800 0.040 0.000 4.138 471 G HA2 0.443 4.951 3.960 0.913 0.000 0.335 471 G HA3 0.443 4.951 3.960 0.913 0.000 0.335 471 G C -0.389 174.580 174.900 0.115 0.000 1.517 471 G CA -0.255 44.875 45.100 0.050 0.000 0.960 471 G HN 0.404 nan 8.290 nan 0.000 0.493 472 I N 1.902 122.568 120.570 0.160 0.000 2.494 472 I HA 0.140 4.858 4.170 0.913 0.000 0.289 472 I C 0.865 177.199 176.117 0.362 0.000 1.106 472 I CA 0.157 61.621 61.300 0.272 0.000 1.369 472 I CB 0.511 38.722 38.000 0.352 0.000 1.410 472 I HN 0.247 nan 8.210 nan 0.000 0.523 473 S N 7.064 122.909 115.700 0.242 0.000 2.654 473 S HA 0.647 5.665 4.470 0.913 0.000 0.283 473 S C -0.328 174.347 174.600 0.125 0.000 1.180 473 S CA -0.699 57.630 58.200 0.216 0.000 1.021 473 S CB 1.252 64.473 63.200 0.034 0.000 1.018 473 S HN 0.607 nan 8.310 nan 0.000 0.532 474 M N 3.263 122.901 119.600 0.062 0.000 2.190 474 M HA 0.455 5.483 4.480 0.913 0.000 0.312 474 M C -0.665 175.509 176.300 -0.210 0.000 0.990 474 M CA -0.156 55.028 55.300 -0.194 0.000 0.927 474 M CB 1.567 33.891 32.600 -0.461 0.000 1.571 474 M HN 0.672 nan 8.290 nan 0.000 0.427 475 S N 1.953 117.471 115.700 -0.303 0.000 2.715 475 S HA 0.829 5.847 4.470 0.913 0.000 0.307 475 S C 0.517 175.117 174.600 -0.000 0.000 1.119 475 S CA 0.387 58.497 58.200 -0.150 0.000 0.937 475 S CB 1.650 64.753 63.200 -0.161 0.000 1.150 475 S HN 1.151 nan 8.310 nan 0.000 0.521 476 G N 1.309 110.167 108.800 0.098 0.000 2.225 476 G HA2 -0.222 4.286 3.960 0.913 0.000 0.267 476 G HA3 -0.222 4.286 3.960 0.913 0.000 0.267 476 G C 0.684 175.631 174.900 0.079 0.000 1.024 476 G CA 0.679 45.840 45.100 0.103 0.000 0.784 476 G HN 0.655 nan 8.290 nan 0.000 0.507 477 I N -0.648 119.942 120.570 0.033 0.000 2.179 477 I HA -0.229 4.488 4.170 0.913 0.000 0.242 477 I C 2.830 179.006 176.117 0.099 0.000 1.088 477 I CA 1.722 63.093 61.300 0.118 0.000 1.357 477 I CB -0.289 37.735 38.000 0.040 0.000 1.051 477 I HN 0.223 nan 8.210 nan 0.000 0.409 478 Q N 0.520 120.278 119.800 -0.070 0.000 2.119 478 Q HA -0.186 4.701 4.340 0.913 0.000 0.201 478 Q C 1.804 177.834 176.000 0.050 0.000 0.972 478 Q CA 1.414 57.145 55.803 -0.119 0.000 0.847 478 Q CB -0.538 27.985 28.738 -0.359 0.000 0.903 478 Q HN 0.518 nan 8.270 nan 0.000 0.433 479 D N -0.517 119.953 120.400 0.117 0.000 2.117 479 D HA -0.157 5.031 4.640 0.913 0.000 0.197 479 D C 1.614 178.047 176.300 0.221 0.000 0.987 479 D CA 0.734 54.854 54.000 0.200 0.000 0.829 479 D CB -0.383 40.541 40.800 0.208 0.000 0.961 479 D HN 0.305 nan 8.370 nan 0.000 0.460 480 W N 1.763 123.067 121.300 0.007 0.000 2.355 480 W HA -0.083 5.126 4.660 0.915 0.000 0.309 480 W C 2.110 178.624 176.519 -0.009 0.000 1.206 480 W CA 1.008 58.352 57.345 -0.002 0.000 1.284 480 W CB -0.684 28.764 29.460 -0.019 0.000 1.145 480 W HN -0.095 nan 8.180 nan 0.000 0.502 481 L N -0.031 121.152 121.223 -0.066 0.000 1.994 481 L HA -0.238 4.650 4.340 0.913 0.000 0.208 481 L C 2.538 179.311 176.870 -0.163 0.000 1.071 481 L CA 1.412 56.084 54.840 -0.281 0.000 0.745 481 L CB -1.381 40.563 42.059 -0.190 0.000 0.892 481 L HN 0.080 nan 8.230 nan 0.000 0.431 482 L N -0.570 120.633 121.223 -0.033 0.000 2.012 482 L HA -0.214 4.674 4.340 0.913 0.000 0.210 482 L C 2.471 179.346 176.870 0.008 0.000 1.073 482 L CA 2.192 57.042 54.840 0.017 0.000 0.748 482 L CB -0.720 41.402 42.059 0.106 0.000 0.891 482 L HN 0.182 nan 8.230 nan 0.000 0.431 483 T N -0.697 113.876 114.554 0.031 0.000 2.701 483 T HA -0.201 4.697 4.350 0.913 0.000 0.263 483 T C 2.005 176.697 174.700 -0.013 0.000 1.040 483 T CA 1.696 63.819 62.100 0.038 0.000 1.147 483 T CB -0.263 68.663 68.868 0.096 0.000 0.865 483 T HN 0.330 nan 8.240 nan 0.000 0.426 484 R N 0.446 120.894 120.500 -0.088 0.000 2.075 484 R HA 0.086 4.974 4.340 0.913 0.000 0.232 484 R C 2.163 178.373 176.300 -0.150 0.000 1.126 484 R CA 1.140 57.157 56.100 -0.138 0.000 0.963 484 R CB -0.205 29.909 30.300 -0.309 0.000 0.858 484 R HN 0.351 nan 8.270 nan 0.000 0.435 485 L N -1.762 119.344 121.223 -0.195 0.000 2.408 485 L HA 0.308 5.196 4.340 0.913 0.000 0.215 485 L C 1.421 178.237 176.870 -0.091 0.000 1.081 485 L CA 0.571 55.317 54.840 -0.156 0.000 0.840 485 L CB 0.395 42.329 42.059 -0.209 0.000 1.002 485 L HN 0.614 nan 8.230 nan 0.000 0.468 486 G N 0.732 109.491 108.800 -0.068 0.000 2.176 486 G HA2 -0.227 4.281 3.960 0.913 0.000 0.232 486 G HA3 -0.227 4.281 3.960 0.913 0.000 0.232 486 G C 0.003 174.892 174.900 -0.019 0.000 0.986 486 G CA 0.189 45.272 45.100 -0.029 0.000 0.643 486 G HN 0.487 nan 8.290 nan 0.000 0.522 487 N N -1.063 117.613 118.700 -0.041 0.000 2.825 487 N HA 0.445 5.733 4.740 0.913 0.000 0.253 487 N C -0.512 174.973 175.510 -0.042 0.000 1.426 487 N CA -1.076 51.959 53.050 -0.026 0.000 0.851 487 N CB 0.826 39.294 38.487 -0.033 0.000 1.470 487 N HN 0.217 nan 8.380 nan 0.000 0.517 488 R N -0.144 120.351 120.500 -0.008 0.000 2.679 488 R HA 0.128 5.016 4.340 0.913 0.000 0.269 488 R C 1.216 177.472 176.300 -0.073 0.000 1.076 488 R CA -0.535 55.566 56.100 0.002 0.000 1.160 488 R CB 0.949 31.300 30.300 0.086 0.000 1.054 488 R HN 0.441 nan 8.270 nan 0.000 0.507 489 V N 2.129 121.961 119.914 -0.137 0.000 2.490 489 V HA -0.097 4.571 4.120 0.913 0.000 0.250 489 V C 0.567 176.592 176.094 -0.114 0.000 1.061 489 V CA 1.415 63.542 62.300 -0.289 0.000 1.064 489 V CB 0.344 31.787 31.823 -0.633 0.000 0.670 489 V HN 0.388 nan 8.190 nan 0.000 0.461 490 V N 1.937 121.851 119.914 0.001 0.000 2.372 490 V HA 0.147 4.815 4.120 0.913 0.000 0.261 490 V C 1.608 177.669 176.094 -0.055 0.000 1.055 490 V CA 0.733 63.033 62.300 -0.000 0.000 0.930 490 V CB 0.493 32.327 31.823 0.018 0.000 1.031 490 V HN 0.698 nan 8.190 nan 0.000 0.479 491 T N 1.141 115.637 114.554 -0.098 0.000 3.067 491 T HA 0.423 5.321 4.350 0.913 0.000 0.257 491 T C 0.806 175.474 174.700 -0.054 0.000 1.105 491 T CA 0.563 62.623 62.100 -0.067 0.000 1.104 491 T CB 0.366 69.193 68.868 -0.068 0.000 0.925 491 T HN 1.073 nan 8.240 nan 0.000 0.498 492 G N 0.006 108.730 108.800 -0.126 0.000 2.315 492 G HA2 0.444 4.952 3.960 0.913 0.000 0.294 492 G HA3 0.444 4.952 3.960 0.913 0.000 0.294 492 G C -2.172 172.611 174.900 -0.196 0.000 1.300 492 G CA -1.150 43.946 45.100 -0.007 0.000 0.843 492 G HN 0.137 nan 8.290 nan 0.000 0.527 493 F N 0.576 120.485 119.950 -0.069 0.000 2.551 493 F HA 0.718 5.792 4.527 0.913 0.000 0.316 493 F C 0.362 176.112 175.800 -0.083 0.000 1.089 493 F CA -0.768 57.182 58.000 -0.082 0.000 0.915 493 F CB 2.789 41.750 39.000 -0.066 0.000 1.186 493 F HN 0.637 nan 8.300 nan 0.000 0.456 494 K N 0.801 121.236 120.400 0.058 0.000 2.371 494 K HA 0.572 5.440 4.320 0.913 0.000 0.251 494 K C -1.555 175.023 176.600 -0.036 0.000 0.934 494 K CA -0.964 55.322 56.287 -0.003 0.000 0.798 494 K CB 1.954 34.429 32.500 -0.041 0.000 1.204 494 K HN 0.306 nan 8.250 nan 0.000 0.427 495 D N 1.606 121.961 120.400 -0.076 0.000 2.399 495 D HA 0.220 5.408 4.640 0.913 0.000 0.241 495 D C -0.510 175.644 176.300 -0.245 0.000 1.133 495 D CA 0.823 54.720 54.000 -0.171 0.000 0.890 495 D CB 0.850 41.538 40.800 -0.186 0.000 1.201 495 D HN 0.630 nan 8.370 nan 0.000 0.432 496 D N -0.536 119.615 120.400 -0.415 0.000 2.865 496 D HA 0.362 5.550 4.640 0.913 0.000 0.343 496 D C -1.630 174.226 176.300 -0.739 0.000 1.372 496 D CA -0.472 53.262 54.000 -0.443 0.000 0.862 496 D CB 0.522 41.226 40.800 -0.160 0.000 1.425 496 D HN 0.130 nan 8.370 nan 0.000 0.501 497 F N 0.505 120.435 119.950 -0.033 0.000 2.577 497 F HA 0.292 5.367 4.527 0.913 0.000 0.318 497 F C 0.155 175.908 175.800 -0.078 0.000 1.065 497 F CA -0.997 56.983 58.000 -0.035 0.000 0.929 497 F CB 1.355 40.357 39.000 0.003 0.000 1.237 497 F HN 0.056 nan 8.300 nan 0.000 0.468 498 D N 4.141 124.602 120.400 0.101 0.000 2.487 498 D HA 0.039 5.227 4.640 0.913 0.000 0.243 498 D C -1.370 174.861 176.300 -0.115 0.000 1.154 498 D CA -1.100 52.896 54.000 -0.007 0.000 0.876 498 D CB 0.910 41.723 40.800 0.023 0.000 1.161 498 D HN 0.171 nan 8.370 nan 0.000 0.478 499 P HA -0.150 nan 4.420 nan 0.000 0.234 499 P C 0.094 177.188 177.300 -0.345 0.000 1.162 499 P CA 1.223 64.156 63.100 -0.279 0.000 0.759 499 P CB 0.342 31.814 31.700 -0.381 0.000 0.813 500 E N -1.421 118.605 120.200 -0.291 0.000 2.502 500 E HA 0.015 4.913 4.350 0.913 0.000 0.206 500 E C 1.474 177.930 176.600 -0.240 0.000 0.821 500 E CA 0.784 57.046 56.400 -0.231 0.000 1.354 500 E CB 0.082 29.802 29.700 0.034 0.000 1.336 500 E HN 0.228 nan 8.360 nan 0.000 0.675 501 T N -2.003 112.493 114.554 -0.098 0.000 3.086 501 T HA 0.042 4.940 4.350 0.913 0.000 0.250 501 T C 0.135 174.985 174.700 0.250 0.000 1.074 501 T CA 0.157 62.329 62.100 0.119 0.000 0.988 501 T CB -0.277 68.652 68.868 0.102 0.000 0.988 501 T HN 0.157 nan 8.240 nan 0.000 0.530 502 H N 0.543 119.650 119.070 0.061 0.000 2.845 502 H HA -0.161 4.943 4.556 0.913 0.000 0.296 502 H C 0.248 175.699 175.328 0.206 0.000 1.116 502 H CA 1.061 57.151 56.048 0.071 0.000 1.162 502 H CB -2.224 27.491 29.762 -0.078 0.000 1.338 502 H HN 0.764 nan 8.280 nan 0.000 0.370 503 E N 0.801 121.165 120.200 0.273 0.000 2.366 503 E HA 0.512 5.410 4.350 0.913 0.000 0.266 503 E C 0.353 177.101 176.600 0.247 0.000 1.051 503 E CA -0.054 56.491 56.400 0.242 0.000 0.884 503 E CB 0.714 30.483 29.700 0.115 0.000 1.006 503 E HN 0.450 nan 8.360 nan 0.000 0.417 504 A N 5.245 128.164 122.820 0.164 0.000 2.491 504 A HA 0.352 5.220 4.320 0.913 0.000 0.261 504 A C 0.126 177.626 177.584 -0.139 0.000 1.101 504 A CA 0.011 51.987 52.037 -0.101 0.000 0.772 504 A CB -0.613 18.351 19.000 -0.060 0.000 1.043 504 A HN 0.574 nan 8.150 nan 0.000 0.501 505 I N -0.696 119.735 120.570 -0.231 0.000 3.074 505 I HA 0.651 5.369 4.170 0.913 0.000 0.310 505 I C -0.870 175.153 176.117 -0.157 0.000 1.153 505 I CA -1.353 59.850 61.300 -0.162 0.000 0.993 505 I CB 2.264 40.181 38.000 -0.139 0.000 1.237 505 I HN 0.204 nan 8.210 nan 0.000 0.443 506 K N 3.285 123.637 120.400 -0.079 0.000 2.293 506 K HA 0.523 5.391 4.320 0.913 0.000 0.267 506 K C -1.027 175.653 176.600 0.133 0.000 1.010 506 K CA -0.637 55.664 56.287 0.023 0.000 0.875 506 K CB 2.119 34.625 32.500 0.009 0.000 1.106 506 K HN 0.503 nan 8.250 nan 0.000 0.450 507 V N 6.074 126.024 119.914 0.060 0.000 2.394 507 V HA 0.239 4.907 4.120 0.913 0.000 0.282 507 V C -1.837 174.170 176.094 -0.144 0.000 1.031 507 V CA -1.968 60.318 62.300 -0.022 0.000 0.881 507 V CB 1.412 33.181 31.823 -0.090 0.000 0.982 507 V HN 0.599 nan 8.190 nan 0.000 0.451 508 P HA 0.140 nan 4.420 nan 0.000 0.272 508 P C -0.810 175.996 177.300 -0.824 0.000 1.223 508 P CA 0.018 62.520 63.100 -0.996 0.000 0.784 508 P CB 1.226 32.350 31.700 -0.959 0.000 0.923 509 V N 3.811 123.284 119.914 -0.735 0.000 2.384 509 V HA 0.245 4.913 4.120 0.913 0.000 0.287 509 V C -0.207 175.628 176.094 -0.431 0.000 1.020 509 V CA -0.411 61.610 62.300 -0.466 0.000 0.850 509 V CB 0.182 31.856 31.823 -0.249 0.000 0.987 509 V HN 0.386 nan 8.190 nan 0.000 0.436 510 Y N 1.337 121.579 120.300 -0.097 0.000 2.403 510 Y HA 0.381 5.479 4.550 0.914 0.000 0.323 510 Y C 0.664 176.475 175.900 -0.148 0.000 1.226 510 Y CA -1.517 56.502 58.100 -0.135 0.000 1.235 510 Y CB 0.616 39.057 38.460 -0.030 0.000 1.248 510 Y HN 0.552 nan 8.280 nan 0.000 0.489 511 D N 1.836 122.217 120.400 -0.032 0.000 2.371 511 D HA 0.017 5.204 4.640 0.913 0.000 0.256 511 D C 0.478 176.735 176.300 -0.072 0.000 1.193 511 D CA 0.173 54.122 54.000 -0.084 0.000 0.881 511 D CB 0.834 41.545 40.800 -0.148 0.000 1.143 511 D HN 0.614 nan 8.370 nan 0.000 0.473 512 K N 3.074 123.446 120.400 -0.047 0.000 2.280 512 K HA -0.122 4.746 4.320 0.913 0.000 0.202 512 K C 1.827 178.393 176.600 -0.057 0.000 1.047 512 K CA 0.684 56.944 56.287 -0.044 0.000 0.942 512 K CB 0.359 32.844 32.500 -0.026 0.000 0.739 512 K HN 0.369 nan 8.250 nan 0.000 0.457 513 R N 0.503 120.960 120.500 -0.072 0.000 2.075 513 R HA -0.046 4.841 4.340 0.913 0.000 0.232 513 R C 2.414 178.655 176.300 -0.098 0.000 1.126 513 R CA 1.147 57.198 56.100 -0.080 0.000 0.963 513 R CB -0.301 29.940 30.300 -0.099 0.000 0.858 513 R HN 0.157 nan 8.270 nan 0.000 0.435 514 A N 1.309 124.049 122.820 -0.133 0.000 1.902 514 A HA -0.127 4.740 4.320 0.913 0.000 0.217 514 A C 2.137 179.782 177.584 0.101 0.000 1.181 514 A CA 1.146 53.111 52.037 -0.120 0.000 0.623 514 A CB -0.460 18.343 19.000 -0.329 0.000 0.818 514 A HN 0.163 nan 8.150 nan 0.000 0.443 515 I N -0.631 119.961 120.570 0.037 0.000 2.179 515 I HA -0.260 4.458 4.170 0.913 0.000 0.242 515 I C 2.540 178.627 176.117 -0.050 0.000 1.088 515 I CA 1.923 63.142 61.300 -0.136 0.000 1.357 515 I CB -0.214 37.553 38.000 -0.388 0.000 1.051 515 I HN 0.265 nan 8.210 nan 0.000 0.409 516 K N 1.733 122.119 120.400 -0.023 0.000 2.097 516 K HA -0.161 4.707 4.320 0.913 0.000 0.205 516 K C 2.134 178.762 176.600 0.046 0.000 1.050 516 K CA 1.727 58.023 56.287 0.015 0.000 0.938 516 K CB -0.321 32.182 32.500 0.007 0.000 0.718 516 K HN 0.439 nan 8.250 nan 0.000 0.442 517 M N -0.510 119.113 119.600 0.038 0.000 2.236 517 M HA -0.028 5.000 4.480 0.913 0.000 0.266 517 M C 1.865 178.247 176.300 0.137 0.000 1.070 517 M CA 1.721 57.065 55.300 0.075 0.000 1.137 517 M CB -0.553 32.061 32.600 0.024 0.000 1.378 517 M HN -0.069 nan 8.290 nan 0.000 0.426 518 V N -1.472 118.537 119.914 0.157 0.000 2.809 518 V HA -0.141 4.527 4.120 0.913 0.000 0.256 518 V C 1.677 177.922 176.094 0.252 0.000 1.080 518 V CA 2.197 64.615 62.300 0.196 0.000 1.102 518 V CB -1.216 30.740 31.823 0.221 0.000 0.705 518 V HN 0.492 nan 8.190 nan 0.000 0.475 519 D N 0.410 120.920 120.400 0.183 0.000 2.162 519 D HA -0.149 5.039 4.640 0.913 0.000 0.203 519 D C 2.244 178.657 176.300 0.188 0.000 0.967 519 D CA 1.427 55.544 54.000 0.194 0.000 0.840 519 D CB -0.157 40.726 40.800 0.139 0.000 0.972 519 D HN 0.599 nan 8.370 nan 0.000 0.482 520 Q N -0.278 119.600 119.800 0.130 0.000 2.124 520 Q HA -0.081 4.807 4.340 0.913 0.000 0.202 520 Q C 2.337 178.383 176.000 0.077 0.000 0.977 520 Q CA 0.825 56.684 55.803 0.094 0.000 0.850 520 Q CB -0.009 28.776 28.738 0.078 0.000 0.901 520 Q HN 0.402 nan 8.270 nan 0.000 0.429 521 L N -0.756 120.506 121.223 0.065 0.000 2.109 521 L HA -0.168 4.720 4.340 0.913 0.000 0.207 521 L C 2.353 179.286 176.870 0.106 0.000 1.086 521 L CA 0.989 55.781 54.840 -0.081 0.000 0.760 521 L CB -0.533 41.248 42.059 -0.464 0.000 0.910 521 L HN 0.242 nan 8.230 nan 0.000 0.437 522 Y N 1.573 121.969 120.300 0.160 0.000 2.145 522 Y HA -0.254 4.844 4.550 0.913 0.000 0.286 522 Y C 2.499 178.338 175.900 -0.101 0.000 1.145 522 Y CA 1.558 59.636 58.100 -0.037 0.000 1.148 522 Y CB -0.165 38.247 38.460 -0.081 0.000 0.981 522 Y HN -0.003 nan 8.280 nan 0.000 0.507 523 K N -0.154 120.197 120.400 -0.082 0.000 2.280 523 K HA -0.085 4.782 4.320 0.913 0.000 0.202 523 K C 2.238 178.752 176.600 -0.144 0.000 1.047 523 K CA 0.809 56.996 56.287 -0.167 0.000 0.942 523 K CB -0.265 32.223 32.500 -0.020 0.000 0.739 523 K HN 0.408 nan 8.250 nan 0.000 0.457 524 A N 1.077 123.855 122.820 -0.071 0.000 1.897 524 A HA -0.081 4.787 4.320 0.913 0.000 0.215 524 A C 2.365 179.930 177.584 -0.033 0.000 1.181 524 A CA 1.073 53.101 52.037 -0.016 0.000 0.620 524 A CB -0.429 18.600 19.000 0.049 0.000 0.821 524 A HN 0.044 nan 8.150 nan 0.000 0.443 525 V N -0.383 119.484 119.914 -0.079 0.000 2.270 525 V HA -0.207 4.461 4.120 0.913 0.000 0.245 525 V C 2.585 178.573 176.094 -0.177 0.000 1.043 525 V CA 1.924 64.183 62.300 -0.068 0.000 1.014 525 V CB -0.814 30.970 31.823 -0.067 0.000 0.645 525 V HN 0.350 nan 8.190 nan 0.000 0.447 526 V N 0.230 119.867 119.914 -0.461 0.000 2.324 526 V HA -0.348 4.319 4.120 0.913 0.000 0.250 526 V C 2.428 178.405 176.094 -0.195 0.000 1.060 526 V CA 2.569 64.559 62.300 -0.515 0.000 1.042 526 V CB -0.746 30.627 31.823 -0.749 0.000 0.650 526 V HN 0.583 nan 8.190 nan 0.000 0.450 527 K N 0.133 120.443 120.400 -0.150 0.000 2.097 527 K HA -0.133 4.735 4.320 0.913 0.000 0.205 527 K C 2.157 178.746 176.600 -0.018 0.000 1.050 527 K CA 1.384 57.633 56.287 -0.063 0.000 0.938 527 K CB -0.281 32.191 32.500 -0.046 0.000 0.718 527 K HN 0.435 nan 8.250 nan 0.000 0.442 528 A N 1.097 123.908 122.820 -0.015 0.000 1.898 528 A HA -0.190 4.677 4.320 0.913 0.000 0.216 528 A C 1.804 179.419 177.584 0.051 0.000 1.181 528 A CA 2.003 54.043 52.037 0.004 0.000 0.620 528 A CB -0.638 18.359 19.000 -0.005 0.000 0.819 528 A HN 0.549 nan 8.150 nan 0.000 0.442 529 D N -0.813 119.632 120.400 0.074 0.000 2.224 529 D HA -0.125 5.063 4.640 0.913 0.000 0.205 529 D C 2.081 178.457 176.300 0.126 0.000 0.965 529 D CA 1.353 55.436 54.000 0.139 0.000 0.852 529 D CB -0.112 40.801 40.800 0.189 0.000 0.947 529 D HN 0.607 nan 8.370 nan 0.000 0.494 530 Q N -0.240 119.608 119.800 0.080 0.000 2.137 530 Q HA -0.072 4.816 4.340 0.913 0.000 0.198 530 Q C 1.432 177.474 176.000 0.070 0.000 0.960 530 Q CA 1.114 56.955 55.803 0.062 0.000 0.847 530 Q CB 0.119 28.874 28.738 0.028 0.000 0.915 530 Q HN 0.379 nan 8.270 nan 0.000 0.448 531 D N 0.036 120.482 120.400 0.077 0.000 2.117 531 D HA -0.160 5.028 4.640 0.913 0.000 0.198 531 D C 1.652 178.044 176.300 0.154 0.000 0.982 531 D CA 1.062 55.113 54.000 0.085 0.000 0.828 531 D CB -0.178 40.660 40.800 0.063 0.000 0.967 531 D HN 0.184 nan 8.370 nan 0.000 0.464 532 Y N 1.919 122.221 120.300 0.002 0.000 2.220 532 Y HA -0.108 4.989 4.550 0.912 0.000 0.291 532 Y C 2.539 178.447 175.900 0.013 0.000 1.129 532 Y CA 0.645 58.744 58.100 -0.002 0.000 1.161 532 Y CB -0.391 38.067 38.460 -0.005 0.000 0.997 532 Y HN -0.162 nan 8.280 nan 0.000 0.522 533 S N -0.095 115.662 115.700 0.095 0.000 2.383 533 S HA -0.217 4.800 4.470 0.913 0.000 0.229 533 S C 1.986 176.584 174.600 -0.003 0.000 1.030 533 S CA 1.698 59.907 58.200 0.015 0.000 1.002 533 S CB -0.255 62.970 63.200 0.041 0.000 0.829 533 S HN 0.302 nan 8.310 nan 0.000 0.467 534 K N 1.383 121.798 120.400 0.024 0.000 2.057 534 K HA -0.010 4.858 4.320 0.913 0.000 0.206 534 K C 2.013 178.613 176.600 0.001 0.000 1.050 534 K CA 1.736 58.032 56.287 0.015 0.000 0.935 534 K CB -0.876 31.641 32.500 0.028 0.000 0.715 534 K HN 0.232 nan 8.250 nan 0.000 0.439 535 T N 1.060 115.620 114.554 0.009 0.000 2.777 535 T HA -0.032 4.866 4.350 0.913 0.000 0.266 535 T C 1.615 176.263 174.700 -0.087 0.000 1.040 535 T CA 1.433 63.530 62.100 -0.005 0.000 1.141 535 T CB -0.104 68.813 68.868 0.081 0.000 0.868 535 T HN 0.118 nan 8.240 nan 0.000 0.444 536 L N 0.028 121.139 121.223 -0.187 0.000 2.209 536 L HA 0.243 5.131 4.340 0.913 0.000 0.207 536 L C 1.826 178.653 176.870 -0.073 0.000 1.094 536 L CA 0.617 55.320 54.840 -0.228 0.000 0.790 536 L CB -0.467 41.340 42.059 -0.421 0.000 0.932 536 L HN 0.513 nan 8.230 nan 0.000 0.447 537 G N 0.514 109.293 108.800 -0.035 0.000 2.203 537 G HA2 -0.224 4.283 3.960 0.913 0.000 0.231 537 G HA3 -0.224 4.283 3.960 0.913 0.000 0.231 537 G C 0.041 174.957 174.900 0.026 0.000 1.058 537 G CA -0.040 45.060 45.100 0.000 0.000 0.781 537 G HN 0.433 nan 8.290 nan 0.000 0.496 538 C N -1.640 117.679 119.300 0.033 0.000 2.871 538 C HA 0.888 5.896 4.460 0.913 0.000 0.351 538 C C 0.477 175.463 174.990 -0.006 0.000 1.338 538 C CA -1.887 57.146 59.018 0.024 0.000 1.686 538 C CB 1.265 29.051 27.740 0.077 0.000 2.135 538 C HN 0.382 nan 8.230 nan 0.000 0.476 539 N N 1.449 120.128 118.700 -0.035 0.000 2.530 539 N HA 0.247 5.534 4.740 0.913 0.000 0.273 539 N C -0.156 175.334 175.510 -0.033 0.000 1.173 539 N CA 0.103 53.131 53.050 -0.037 0.000 0.967 539 N CB 0.470 38.923 38.487 -0.056 0.000 1.109 539 N HN 0.713 nan 8.380 nan 0.000 0.453 540 E N 0.218 120.406 120.200 -0.019 0.000 2.404 540 E HA 0.067 4.965 4.350 0.913 0.000 0.261 540 E C -0.122 176.433 176.600 -0.076 0.000 1.074 540 E CA 0.049 56.442 56.400 -0.011 0.000 0.917 540 E CB 0.515 30.231 29.700 0.028 0.000 0.965 540 E HN 0.387 nan 8.360 nan 0.000 0.433 541 S N 1.929 117.541 115.700 -0.148 0.000 2.525 541 S HA -0.040 4.978 4.470 0.913 0.000 0.285 541 S C 1.172 175.546 174.600 -0.376 0.000 1.283 541 S CA -0.250 57.767 58.200 -0.306 0.000 1.072 541 S CB 0.392 63.313 63.200 -0.466 0.000 0.867 541 S HN 0.507 nan 8.310 nan 0.000 0.492 542 I N 1.512 121.938 120.570 -0.240 0.000 2.286 542 I HA -0.114 4.604 4.170 0.913 0.000 0.248 542 I C 0.377 176.394 176.117 -0.168 0.000 1.115 542 I CA 1.465 62.670 61.300 -0.159 0.000 1.392 542 I CB 0.125 38.055 38.000 -0.116 0.000 1.065 542 I HN 0.386 nan 8.210 nan 0.000 0.418 543 K N -0.705 119.540 120.400 -0.260 0.000 2.444 543 K HA 0.363 5.230 4.320 0.913 0.000 0.252 543 K C -0.620 175.792 176.600 -0.313 0.000 0.993 543 K CA -0.566 55.639 56.287 -0.137 0.000 0.847 543 K CB 1.636 34.095 32.500 -0.068 0.000 1.340 543 K HN 0.024 nan 8.250 nan 0.000 0.446 544 H N -1.764 117.274 119.070 -0.053 0.000 3.436 544 H HA 0.119 5.223 4.556 0.914 0.000 0.244 544 H C 0.035 175.302 175.328 -0.101 0.000 1.009 544 H CA 0.162 56.163 56.048 -0.078 0.000 1.129 544 H CB 0.870 30.543 29.762 -0.149 0.000 1.473 544 H HN 0.651 nan 8.280 nan 0.000 0.510 545 T N -2.075 112.457 114.554 -0.037 0.000 2.916 545 T HA 0.688 5.586 4.350 0.913 0.000 0.292 545 T C -0.064 174.538 174.700 -0.162 0.000 1.064 545 T CA -0.557 61.403 62.100 -0.232 0.000 1.011 545 T CB 2.995 71.304 68.868 -0.931 0.000 1.152 545 T HN 0.155 nan 8.240 nan 0.000 0.510 546 T N -0.797 113.748 114.554 -0.015 0.000 2.658 546 T HA 0.549 5.447 4.350 0.913 0.000 0.305 546 T C -2.168 172.690 174.700 0.263 0.000 1.551 546 T CA -0.532 61.612 62.100 0.075 0.000 0.985 546 T CB 1.336 70.229 68.868 0.041 0.000 1.731 546 T HN 0.833 nan 8.240 nan 0.000 0.486 547 V N 2.483 122.494 119.914 0.161 0.000 2.567 547 V HA 0.675 5.343 4.120 0.913 0.000 0.298 547 V C -0.660 175.459 176.094 0.041 0.000 1.047 547 V CA -0.730 61.651 62.300 0.134 0.000 0.880 547 V CB 1.647 33.559 31.823 0.149 0.000 1.009 547 V HN 0.885 nan 8.190 nan 0.000 0.429 548 K N 6.860 127.257 120.400 -0.005 0.000 2.443 548 K HA 0.612 5.480 4.320 0.913 0.000 0.252 548 K C -2.773 173.767 176.600 -0.100 0.000 0.933 548 K CA -1.932 54.329 56.287 -0.043 0.000 0.792 548 K CB 3.013 35.495 32.500 -0.031 0.000 1.185 548 K HN 0.390 nan 8.250 nan 0.000 0.425 549 P HA 0.039 nan 4.420 nan 0.000 0.247 549 P C -0.766 176.453 177.300 -0.136 0.000 1.756 549 P CA -0.211 62.733 63.100 -0.259 0.000 1.117 549 P CB 0.552 31.925 31.700 -0.545 0.000 1.869 550 S N 2.338 117.991 115.700 -0.077 0.000 3.065 550 S HA 0.283 5.301 4.470 0.913 0.000 0.311 550 S C 1.901 176.502 174.600 0.001 0.000 1.204 550 S CA -0.102 58.082 58.200 -0.027 0.000 1.040 550 S CB -0.830 62.359 63.200 -0.019 0.000 1.436 550 S HN 0.475 nan 8.310 nan 0.000 0.532 551 G N 3.668 112.457 108.800 -0.019 0.000 2.679 551 G HA2 -0.286 4.222 3.960 0.913 0.000 0.217 551 G HA3 -0.286 4.222 3.960 0.913 0.000 0.217 551 G C 1.429 176.336 174.900 0.011 0.000 1.267 551 G CA 1.736 46.828 45.100 -0.012 0.000 0.799 551 G HN 0.641 nan 8.290 nan 0.000 0.606 552 T N 0.805 115.370 114.554 0.019 0.000 2.597 552 T HA -0.201 4.697 4.350 0.913 0.000 0.267 552 T C 2.467 177.235 174.700 0.112 0.000 1.053 552 T CA 1.832 63.956 62.100 0.040 0.000 1.165 552 T CB -0.677 68.222 68.868 0.052 0.000 0.863 552 T HN 0.056 nan 8.240 nan 0.000 0.427 553 V N 1.967 121.975 119.914 0.156 0.000 2.252 553 V HA -0.245 4.423 4.120 0.913 0.000 0.249 553 V C 2.946 179.112 176.094 0.120 0.000 1.056 553 V CA 1.901 64.300 62.300 0.164 0.000 1.022 553 V CB -1.371 30.522 31.823 0.117 0.000 0.641 553 V HN 0.608 nan 8.190 nan 0.000 0.445 554 A N -0.670 122.224 122.820 0.124 0.000 2.024 554 A HA -0.270 4.597 4.320 0.913 0.000 0.220 554 A C 2.261 179.784 177.584 -0.101 0.000 1.164 554 A CA 2.049 54.089 52.037 0.005 0.000 0.643 554 A CB -0.502 18.546 19.000 0.079 0.000 0.806 554 A HN 0.591 nan 8.150 nan 0.000 0.451 555 K N -0.366 120.021 120.400 -0.022 0.000 2.147 555 K HA -0.045 4.823 4.320 0.913 0.000 0.205 555 K C 1.757 178.351 176.600 -0.010 0.000 1.049 555 K CA 1.233 57.507 56.287 -0.022 0.000 0.936 555 K CB -0.358 32.124 32.500 -0.030 0.000 0.722 555 K HN 0.519 nan 8.250 nan 0.000 0.446 556 L N 0.117 121.347 121.223 0.011 0.000 2.046 556 L HA -0.173 4.715 4.340 0.913 0.000 0.208 556 L C 2.401 179.257 176.870 -0.024 0.000 1.077 556 L CA 1.357 56.240 54.840 0.073 0.000 0.747 556 L CB -0.522 41.565 42.059 0.047 0.000 0.896 556 L HN 0.191 nan 8.230 nan 0.000 0.432 557 A N -0.611 122.057 122.820 -0.253 0.000 2.178 557 A HA 0.294 5.162 4.320 0.913 0.000 0.211 557 A C 1.600 179.092 177.584 -0.154 0.000 1.157 557 A CA 0.652 52.483 52.037 -0.344 0.000 0.780 557 A CB -0.276 18.169 19.000 -0.926 0.000 0.828 557 A HN 0.519 nan 8.150 nan 0.000 0.476 558 G N -1.238 107.498 108.800 -0.107 0.000 2.272 558 G HA2 0.151 4.659 3.960 0.913 0.000 0.280 558 G HA3 0.151 4.659 3.960 0.913 0.000 0.280 558 G C 0.192 175.088 174.900 -0.006 0.000 1.067 558 G CA 0.493 45.596 45.100 0.005 0.000 0.902 558 G HN 1.545 nan 8.290 nan 0.000 0.500 559 A N -0.248 122.499 122.820 -0.122 0.000 2.330 559 A HA 0.942 5.809 4.320 0.913 0.000 0.329 559 A C 0.764 178.368 177.584 0.033 0.000 1.135 559 A CA 0.477 52.476 52.037 -0.063 0.000 0.817 559 A CB 0.998 19.848 19.000 -0.250 0.000 1.269 559 A HN 1.894 nan 8.150 nan 0.000 0.469 560 S N 0.743 116.456 115.700 0.022 0.000 2.568 560 S HA 0.193 5.211 4.470 0.913 0.000 0.282 560 S C -0.175 174.381 174.600 -0.075 0.000 1.338 560 S CA -0.236 57.860 58.200 -0.174 0.000 1.045 560 S CB 0.195 63.150 63.200 -0.408 0.000 0.873 560 S HN 0.621 nan 8.310 nan 0.000 0.516 561 E N 1.495 121.637 120.200 -0.097 0.000 2.180 561 E HA 0.440 5.338 4.350 0.913 0.000 0.283 561 E C 1.370 177.828 176.600 -0.236 0.000 1.061 561 E CA 0.357 56.678 56.400 -0.132 0.000 0.861 561 E CB 0.372 29.968 29.700 -0.172 0.000 1.056 561 E HN 0.926 nan 8.360 nan 0.000 0.407 562 G N 4.324 113.024 108.800 -0.166 0.000 2.646 562 G HA2 -0.419 4.089 3.960 0.913 0.000 0.324 562 G HA3 -0.419 4.089 3.960 0.913 0.000 0.324 562 G C 0.785 175.622 174.900 -0.105 0.000 1.195 562 G CA 1.057 46.062 45.100 -0.158 0.000 0.976 562 G HN 0.694 nan 8.290 nan 0.000 0.546 563 M N -0.061 119.508 119.600 -0.052 0.000 2.346 563 M HA 0.525 5.553 4.480 0.913 0.000 0.280 563 M C 0.411 176.654 176.300 -0.096 0.000 1.075 563 M CA -0.202 55.066 55.300 -0.053 0.000 0.989 563 M CB 0.517 33.128 32.600 0.018 0.000 1.447 563 M HN 0.364 nan 8.290 nan 0.000 0.511 564 H N 1.138 120.076 119.070 -0.221 0.000 2.771 564 H HA 0.379 5.483 4.556 0.914 0.000 0.364 564 H C -0.959 174.140 175.328 -0.382 0.000 1.133 564 H CA -0.167 55.763 56.048 -0.197 0.000 1.423 564 H CB 0.194 29.915 29.762 -0.067 0.000 1.425 564 H HN 0.191 nan 8.280 nan 0.000 0.606 565 F N 0.538 120.496 119.950 0.012 0.000 2.399 565 F HA 0.187 5.262 4.527 0.914 0.000 0.328 565 F C 1.148 176.929 175.800 -0.031 0.000 1.084 565 F CA -0.630 57.319 58.000 -0.085 0.000 1.053 565 F CB 0.692 39.629 39.000 -0.104 0.000 1.209 565 F HN 0.415 nan 8.300 nan 0.000 0.502 566 H N 1.466 120.684 119.070 0.246 0.000 2.897 566 H HA -0.092 5.012 4.556 0.913 0.000 0.347 566 H C 0.720 176.233 175.328 0.308 0.000 1.068 566 H CA 0.574 56.788 56.048 0.277 0.000 1.426 566 H CB 0.489 30.462 29.762 0.352 0.000 1.410 566 H HN 0.817 nan 8.280 nan 0.000 0.597 567 Y N 1.561 122.045 120.300 0.307 0.000 2.333 567 Y HA -0.074 5.024 4.550 0.914 0.000 0.290 567 Y C 0.929 176.978 175.900 0.248 0.000 1.144 567 Y CA 0.844 59.088 58.100 0.239 0.000 1.228 567 Y CB 0.552 39.120 38.460 0.181 0.000 0.985 567 Y HN 0.735 nan 8.280 nan 0.000 0.542 568 G N -2.468 106.499 108.800 0.277 0.000 2.579 568 G HA2 0.416 4.924 3.960 0.913 0.000 0.292 568 G HA3 0.416 4.924 3.960 0.913 0.000 0.292 568 G C -0.143 174.866 174.900 0.182 0.000 1.484 568 G CA -0.314 44.892 45.100 0.178 0.000 0.813 568 G HN 0.152 nan 8.290 nan 0.000 0.515 569 A N -0.134 122.697 122.820 0.019 0.000 1.898 569 A HA 0.320 5.188 4.320 0.913 0.000 0.216 569 A C 0.427 177.522 177.584 -0.815 0.000 1.181 569 A CA 1.292 52.928 52.037 -0.670 0.000 0.620 569 A CB -0.283 18.132 19.000 -0.975 0.000 0.819 569 A HN 0.721 nan 8.150 nan 0.000 0.442 570 Y N -1.316 118.898 120.300 -0.143 0.000 2.361 570 Y HA 0.702 5.800 4.550 0.913 0.000 0.337 570 Y C -0.335 175.575 175.900 0.018 0.000 0.965 570 Y CA -0.789 57.227 58.100 -0.140 0.000 1.091 570 Y CB 1.506 39.894 38.460 -0.119 0.000 1.182 570 Y HN 0.071 nan 8.280 nan 0.000 0.450 571 L N 3.719 125.073 121.223 0.218 0.000 2.409 571 L HA 0.607 5.494 4.340 0.913 0.000 0.255 571 L C -1.356 175.675 176.870 0.268 0.000 1.027 571 L CA -1.113 53.869 54.840 0.237 0.000 0.834 571 L CB 2.567 44.765 42.059 0.233 0.000 1.426 571 L HN 0.378 nan 8.230 nan 0.000 0.411 572 I N 1.835 122.550 120.570 0.241 0.000 2.382 572 I HA 0.365 5.082 4.170 0.913 0.000 0.286 572 I C -0.524 175.731 176.117 0.229 0.000 1.002 572 I CA -0.253 61.188 61.300 0.236 0.000 1.135 572 I CB 1.579 39.690 38.000 0.186 0.000 1.288 572 I HN 0.625 nan 8.210 nan 0.000 0.448 573 Q N 5.912 125.868 119.800 0.260 0.000 2.282 573 Q HA 0.532 5.420 4.340 0.913 0.000 0.260 573 Q C -0.551 175.611 176.000 0.269 0.000 0.964 573 Q CA -0.778 55.151 55.803 0.211 0.000 0.880 573 Q CB 2.771 31.600 28.738 0.152 0.000 1.286 573 Q HN 0.465 nan 8.270 nan 0.000 0.445 574 R N 1.776 122.389 120.500 0.189 0.000 2.532 574 R HA 0.580 5.468 4.340 0.913 0.000 0.295 574 R C -0.539 175.844 176.300 0.139 0.000 0.968 574 R CA -0.774 55.456 56.100 0.217 0.000 0.916 574 R CB 1.189 31.581 30.300 0.155 0.000 1.124 574 R HN 0.433 nan 8.270 nan 0.000 0.463 575 I N 2.456 123.159 120.570 0.222 0.000 2.498 575 I HA 0.377 5.094 4.170 0.913 0.000 0.290 575 I C 0.018 176.208 176.117 0.122 0.000 1.032 575 I CA -0.798 60.539 61.300 0.063 0.000 1.073 575 I CB 1.879 39.898 38.000 0.031 0.000 1.251 575 I HN 0.480 nan 8.210 nan 0.000 0.426 576 R N 5.099 125.549 120.500 -0.083 0.000 2.294 576 R HA 0.622 5.510 4.340 0.913 0.000 0.319 576 R C -1.330 174.865 176.300 -0.176 0.000 0.984 576 R CA -0.467 55.630 56.100 -0.005 0.000 0.861 576 R CB 1.371 31.661 30.300 -0.016 0.000 1.104 576 R HN 0.256 nan 8.270 nan 0.000 0.451 577 F N 0.569 120.509 119.950 -0.017 0.000 2.538 577 F HA 0.253 5.328 4.527 0.914 0.000 0.325 577 F C 0.681 176.466 175.800 -0.026 0.000 1.066 577 F CA -0.904 57.076 58.000 -0.032 0.000 0.946 577 F CB 1.582 40.565 39.000 -0.029 0.000 1.199 577 F HN 0.299 nan 8.300 nan 0.000 0.473 578 Q N 1.760 121.644 119.800 0.139 0.000 2.286 578 Q HA 0.042 4.930 4.340 0.913 0.000 0.267 578 Q C 0.400 176.460 176.000 0.100 0.000 1.028 578 Q CA -0.237 55.612 55.803 0.077 0.000 0.901 578 Q CB 0.650 29.408 28.738 0.033 0.000 1.183 578 Q HN 0.565 nan 8.270 nan 0.000 0.392 579 D N 1.697 122.140 120.400 0.072 0.000 2.369 579 D HA -0.140 5.048 4.640 0.913 0.000 0.213 579 D C 0.367 176.693 176.300 0.044 0.000 0.982 579 D CA 1.266 55.298 54.000 0.053 0.000 0.931 579 D CB 0.268 41.089 40.800 0.034 0.000 0.889 579 D HN 0.339 nan 8.370 nan 0.000 0.487 580 S N -0.358 115.371 115.700 0.048 0.000 2.568 580 S HA 0.001 5.019 4.470 0.913 0.000 0.232 580 S C 0.183 174.818 174.600 0.057 0.000 0.975 580 S CA -0.601 57.624 58.200 0.042 0.000 0.949 580 S CB 0.766 63.984 63.200 0.030 0.000 0.829 580 S HN 0.151 nan 8.310 nan 0.000 0.479 581 D N 2.770 123.219 120.400 0.080 0.000 2.383 581 D HA 0.141 5.329 4.640 0.913 0.000 0.252 581 D C -1.867 174.492 176.300 0.099 0.000 1.166 581 D CA -1.839 52.226 54.000 0.107 0.000 0.879 581 D CB 1.372 42.299 40.800 0.213 0.000 1.164 581 D HN -0.010 nan 8.370 nan 0.000 0.462 582 P HA -0.060 nan 4.420 nan 0.000 0.223 582 P C 1.403 178.900 177.300 0.327 0.000 1.144 582 P CA 0.710 63.973 63.100 0.273 0.000 0.783 582 P CB 0.268 32.219 31.700 0.417 0.000 0.771 583 L N -1.924 119.339 121.223 0.068 0.000 2.240 583 L HA -0.060 4.828 4.340 0.913 0.000 0.211 583 L C 2.213 178.979 176.870 -0.173 0.000 1.106 583 L CA 0.611 55.372 54.840 -0.132 0.000 0.793 583 L CB -0.613 41.274 42.059 -0.286 0.000 0.927 583 L HN -0.006 nan 8.230 nan 0.000 0.446 584 L N 0.121 121.215 121.223 -0.214 0.000 1.989 584 L HA -0.196 4.691 4.340 0.913 0.000 0.211 584 L C -0.131 176.671 176.870 -0.113 0.000 1.071 584 L CA 1.772 56.459 54.840 -0.254 0.000 0.749 584 L CB -1.783 40.174 42.059 -0.170 0.000 0.890 584 L HN 0.207 nan 8.230 nan 0.000 0.431 585 P HA -0.177 nan 4.420 nan 0.000 0.215 585 P C 1.464 178.780 177.300 0.027 0.000 1.153 585 P CA 1.812 64.918 63.100 0.010 0.000 0.853 585 P CB -0.026 31.699 31.700 0.041 0.000 0.788 586 A N -0.782 122.084 122.820 0.077 0.000 1.933 586 A HA -0.167 4.701 4.320 0.913 0.000 0.218 586 A C 2.196 179.815 177.584 0.057 0.000 1.175 586 A CA 1.448 53.548 52.037 0.106 0.000 0.628 586 A CB -1.643 17.503 19.000 0.244 0.000 0.814 586 A HN 0.114 nan 8.150 nan 0.000 0.444 587 L N -0.888 120.320 121.223 -0.025 0.000 2.056 587 L HA -0.174 4.713 4.340 0.913 0.000 0.207 587 L C 2.574 179.481 176.870 0.062 0.000 1.078 587 L CA 1.581 56.390 54.840 -0.051 0.000 0.749 587 L CB -0.385 41.469 42.059 -0.342 0.000 0.901 587 L HN 0.349 nan 8.230 nan 0.000 0.433 588 K N 0.123 120.515 120.400 -0.014 0.000 2.057 588 K HA -0.110 4.758 4.320 0.913 0.000 0.206 588 K C 2.248 178.851 176.600 0.005 0.000 1.050 588 K CA 1.282 57.566 56.287 -0.006 0.000 0.935 588 K CB -0.288 32.196 32.500 -0.028 0.000 0.715 588 K HN 0.251 nan 8.250 nan 0.000 0.439 589 A N 0.973 123.800 122.820 0.011 0.000 1.978 589 A HA -0.192 4.676 4.320 0.913 0.000 0.220 589 A C 2.189 179.769 177.584 -0.006 0.000 1.170 589 A CA 1.455 53.494 52.037 0.003 0.000 0.636 589 A CB -0.895 18.113 19.000 0.014 0.000 0.810 589 A HN 0.439 nan 8.150 nan 0.000 0.448 590 C N -1.634 117.682 119.300 0.025 0.000 2.522 590 C HA 0.409 5.417 4.460 0.913 0.000 0.271 590 C C 2.077 176.968 174.990 -0.164 0.000 1.425 590 C CA 0.472 59.476 59.018 -0.022 0.000 1.751 590 C CB -1.046 26.749 27.740 0.092 0.000 1.775 590 C HN 1.055 nan 8.230 nan 0.000 0.557 591 G N -1.380 107.340 108.800 -0.133 0.000 2.201 591 G HA2 -0.213 4.295 3.960 0.913 0.000 0.212 591 G HA3 -0.213 4.295 3.960 0.913 0.000 0.212 591 G C -0.094 174.655 174.900 -0.251 0.000 0.994 591 G CA -0.435 44.541 45.100 -0.206 0.000 0.644 591 G HN 0.478 nan 8.290 nan 0.000 0.508 592 Y N 2.048 122.240 120.300 -0.180 0.000 2.526 592 Y HA 0.415 5.514 4.550 0.914 0.000 0.330 592 Y C 1.600 177.386 175.900 -0.189 0.000 1.156 592 Y CA -0.020 57.931 58.100 -0.247 0.000 1.419 592 Y CB 0.451 38.674 38.460 -0.395 0.000 1.250 592 Y HN 0.116 nan 8.280 nan 0.000 0.540 593 R N 1.963 122.451 120.500 -0.020 0.000 2.491 593 R HA 0.286 5.174 4.340 0.913 0.000 0.283 593 R C -0.112 176.178 176.300 -0.018 0.000 1.072 593 R CA -0.099 55.986 56.100 -0.025 0.000 1.048 593 R CB 0.427 30.714 30.300 -0.023 0.000 0.983 593 R HN 0.753 nan 8.270 nan 0.000 0.450 594 T N -0.527 114.015 114.554 -0.020 0.000 2.906 594 T HA 0.530 5.428 4.350 0.913 0.000 0.295 594 T C -0.775 173.920 174.700 -0.008 0.000 1.061 594 T CA -1.079 61.011 62.100 -0.017 0.000 1.000 594 T CB 2.344 71.189 68.868 -0.039 0.000 1.103 594 T HN 0.730 nan 8.240 nan 0.000 0.486 595 E N 0.835 121.036 120.200 0.002 0.000 2.412 595 E HA 0.599 5.497 4.350 0.913 0.000 0.279 595 E C -0.936 175.664 176.600 -0.001 0.000 0.984 595 E CA -1.581 54.816 56.400 -0.004 0.000 0.788 595 E CB 1.615 31.311 29.700 -0.006 0.000 1.277 595 E HN 0.920 nan 8.360 nan 0.000 0.455 596 A N 1.750 124.563 122.820 -0.011 0.000 2.520 596 A HA 0.113 4.981 4.320 0.913 0.000 0.245 596 A C -0.148 177.420 177.584 -0.026 0.000 1.072 596 A CA 0.149 52.179 52.037 -0.012 0.000 0.761 596 A CB -0.018 18.971 19.000 -0.018 0.000 1.004 596 A HN 0.634 nan 8.150 nan 0.000 0.499 597 D N 2.198 122.591 120.400 -0.012 0.000 2.346 597 D HA 0.183 5.370 4.640 0.913 0.000 0.260 597 D C 1.493 177.747 176.300 -0.076 0.000 1.252 597 D CA 0.181 54.165 54.000 -0.027 0.000 0.895 597 D CB 0.160 40.972 40.800 0.020 0.000 1.097 597 D HN 0.437 nan 8.370 nan 0.000 0.489 598 I N 1.438 121.893 120.570 -0.192 0.000 2.286 598 I HA -0.239 4.479 4.170 0.913 0.000 0.248 598 I C 0.862 176.839 176.117 -0.232 0.000 1.115 598 I CA 0.991 62.122 61.300 -0.281 0.000 1.392 598 I CB -0.402 37.302 38.000 -0.492 0.000 1.065 598 I HN 0.327 nan 8.210 nan 0.000 0.418 599 Y N 1.897 122.196 120.300 -0.003 0.000 2.269 599 Y HA 0.170 5.268 4.550 0.913 0.000 0.294 599 Y C 1.390 177.282 175.900 -0.014 0.000 1.120 599 Y CA 0.202 58.295 58.100 -0.011 0.000 1.159 599 Y CB -0.828 37.622 38.460 -0.017 0.000 1.024 599 Y HN 0.084 nan 8.280 nan 0.000 0.532 600 T N 0.820 115.454 114.554 0.132 0.000 2.859 600 T HA 0.249 5.147 4.350 0.913 0.000 0.281 600 T C -0.432 174.291 174.700 0.038 0.000 1.005 600 T CA -0.856 61.285 62.100 0.069 0.000 1.025 600 T CB 2.035 70.933 68.868 0.050 0.000 0.977 600 T HN 0.057 nan 8.240 nan 0.000 0.458 601 E N 1.792 122.008 120.200 0.027 0.000 2.349 601 E HA 0.132 5.030 4.350 0.913 0.000 0.265 601 E C 0.012 176.623 176.600 0.018 0.000 1.064 601 E CA -0.462 55.949 56.400 0.018 0.000 0.886 601 E CB 0.299 30.008 29.700 0.015 0.000 1.036 601 E HN 0.619 nan 8.360 nan 0.000 0.413 602 N N 1.605 120.314 118.700 0.016 0.000 2.725 602 N HA -0.149 5.139 4.740 0.913 0.000 0.249 602 N C -1.246 174.281 175.510 0.029 0.000 1.103 602 N CA 1.339 54.401 53.050 0.020 0.000 0.707 602 N CB -1.474 37.023 38.487 0.018 0.000 1.043 602 N HN 0.398 nan 8.380 nan 0.000 0.553 603 T N 0.014 114.587 114.554 0.031 0.000 2.893 603 T HA 0.600 5.498 4.350 0.913 0.000 0.291 603 T C 0.170 174.902 174.700 0.054 0.000 1.028 603 T CA -0.319 61.810 62.100 0.048 0.000 0.995 603 T CB 2.628 71.521 68.868 0.042 0.000 1.051 603 T HN -0.029 nan 8.240 nan 0.000 0.470 604 T N 1.195 115.803 114.554 0.090 0.000 2.876 604 T HA 0.451 5.348 4.350 0.913 0.000 0.289 604 T C -0.506 174.276 174.700 0.136 0.000 1.014 604 T CA -0.441 61.709 62.100 0.083 0.000 0.986 604 T CB 0.877 69.778 68.868 0.056 0.000 1.021 604 T HN 0.688 nan 8.240 nan 0.000 0.458 605 C N 3.042 122.401 119.300 0.098 0.000 2.330 605 C HA 0.697 5.705 4.460 0.913 0.000 0.344 605 C C 0.243 175.308 174.990 0.125 0.000 1.273 605 C CA -0.631 58.466 59.018 0.132 0.000 1.879 605 C CB -0.128 27.663 27.740 0.086 0.000 2.376 605 C HN 0.668 nan 8.230 nan 0.000 0.534 606 V N 4.064 124.105 119.914 0.212 0.000 2.448 606 V HA 0.359 5.026 4.120 0.913 0.000 0.295 606 V C -0.171 176.019 176.094 0.160 0.000 1.025 606 V CA -0.471 61.887 62.300 0.098 0.000 0.859 606 V CB 1.564 33.415 31.823 0.047 0.000 0.988 606 V HN 0.835 nan 8.190 nan 0.000 0.431 607 E N 3.953 124.157 120.200 0.006 0.000 2.146 607 E HA 0.491 5.389 4.350 0.913 0.000 0.282 607 E C -1.530 175.087 176.600 0.030 0.000 0.989 607 E CA -0.295 56.173 56.400 0.112 0.000 0.799 607 E CB 1.258 31.012 29.700 0.090 0.000 1.088 607 E HN 0.523 nan 8.360 nan 0.000 0.397 608 F N 4.336 124.405 119.950 0.198 0.000 2.375 608 F HA 0.324 5.399 4.527 0.914 0.000 0.361 608 F C -2.162 173.771 175.800 0.223 0.000 1.117 608 F CA -2.946 55.206 58.000 0.254 0.000 1.037 608 F CB 1.191 40.304 39.000 0.188 0.000 1.192 608 F HN 0.222 nan 8.300 nan 0.000 0.452 609 P HA 0.308 nan 4.420 nan 0.000 0.276 609 P C -0.547 177.055 177.300 0.502 0.000 1.243 609 P CA 0.151 63.449 63.100 0.329 0.000 0.768 609 P CB 0.794 32.531 31.700 0.062 0.000 0.856 610 I N 2.768 123.640 120.570 0.504 0.000 2.533 610 I HA 0.379 5.096 4.170 0.913 0.000 0.290 610 I C 0.119 176.251 176.117 0.025 0.000 1.056 610 I CA -0.908 60.597 61.300 0.341 0.000 1.057 610 I CB 2.605 40.732 38.000 0.211 0.000 1.240 610 I HN 0.132 nan 8.210 nan 0.000 0.423 611 K N 5.464 125.736 120.400 -0.213 0.000 2.339 611 K HA 0.718 5.586 4.320 0.913 0.000 0.264 611 K C -0.391 175.971 176.600 -0.396 0.000 0.986 611 K CA -0.401 55.563 56.287 -0.538 0.000 0.866 611 K CB 1.552 33.628 32.500 -0.707 0.000 1.103 611 K HN 0.751 nan 8.250 nan 0.000 0.441 612 A N 3.262 125.751 122.820 -0.551 0.000 2.483 612 A HA 0.162 5.030 4.320 0.913 0.000 0.238 612 A C -0.033 177.308 177.584 -0.404 0.000 1.070 612 A CA -0.450 51.220 52.037 -0.611 0.000 0.770 612 A CB 0.434 18.933 19.000 -0.836 0.000 1.008 612 A HN 0.582 nan 8.150 nan 0.000 0.497 613 V N 1.904 121.708 119.914 -0.184 0.000 2.599 613 V HA 0.361 5.029 4.120 0.913 0.000 0.300 613 V C 1.615 177.712 176.094 0.004 0.000 1.034 613 V CA 1.734 64.025 62.300 -0.016 0.000 1.115 613 V CB 0.146 32.044 31.823 0.125 0.000 0.934 613 V HN 1.987 nan 8.190 nan 0.000 0.485 614 G N 4.210 112.987 108.800 -0.037 0.000 2.160 614 G HA2 -0.238 4.270 3.960 0.913 0.000 0.251 614 G HA3 -0.238 4.270 3.960 0.913 0.000 0.251 614 G C 0.960 175.737 174.900 -0.204 0.000 1.008 614 G CA 0.451 45.545 45.100 -0.011 0.000 0.724 614 G HN 1.441 nan 8.290 nan 0.000 0.514 615 A N -0.279 122.210 122.820 -0.552 0.000 2.076 615 A HA 0.043 4.911 4.320 0.913 0.000 0.220 615 A C 1.923 179.181 177.584 -0.543 0.000 1.160 615 A CA 2.132 53.547 52.037 -1.038 0.000 0.653 615 A CB -0.164 18.098 19.000 -1.230 0.000 0.801 615 A HN 0.439 nan 8.150 nan 0.000 0.455 616 D N -0.526 119.731 120.400 -0.238 0.000 2.350 616 D HA -0.010 5.178 4.640 0.913 0.000 0.213 616 D C 0.305 176.595 176.300 -0.016 0.000 1.031 616 D CA -0.028 53.926 54.000 -0.076 0.000 0.861 616 D CB -0.193 40.597 40.800 -0.017 0.000 0.926 616 D HN 0.324 nan 8.370 nan 0.000 0.520 617 N N 2.268 120.971 118.700 0.005 0.000 2.497 617 N HA 0.009 5.297 4.740 0.913 0.000 0.268 617 N C -1.485 174.090 175.510 0.108 0.000 1.171 617 N CA -1.186 51.904 53.050 0.067 0.000 0.948 617 N CB 2.051 40.598 38.487 0.100 0.000 1.069 617 N HN -0.099 nan 8.380 nan 0.000 0.460 618 P HA -0.079 nan 4.420 nan 0.000 0.222 618 P C 0.252 177.608 177.300 0.092 0.000 1.147 618 P CA 0.994 64.141 63.100 0.078 0.000 0.790 618 P CB 0.444 32.173 31.700 0.048 0.000 0.780 619 N N -0.691 118.066 118.700 0.095 0.000 2.461 619 N HA 0.000 5.288 4.740 0.913 0.000 0.188 619 N C 0.350 175.929 175.510 0.114 0.000 1.134 619 N CA -0.067 53.031 53.050 0.080 0.000 0.878 619 N CB -0.479 38.043 38.487 0.058 0.000 0.972 619 N HN 0.225 nan 8.380 nan 0.000 0.456 620 F N 1.923 121.891 119.950 0.030 0.000 2.471 620 F HA 0.365 5.440 4.527 0.913 0.000 0.353 620 F C 0.016 175.838 175.800 0.037 0.000 1.113 620 F CA -0.824 57.208 58.000 0.052 0.000 1.262 620 F CB 0.619 39.627 39.000 0.013 0.000 1.146 620 F HN -0.084 nan 8.300 nan 0.000 0.578 621 A N 4.389 126.673 122.820 -0.893 0.000 2.408 621 A HA 0.562 5.430 4.320 0.913 0.000 0.295 621 A C -0.778 176.348 177.584 -0.763 0.000 1.040 621 A CA -0.304 51.347 52.037 -0.645 0.000 0.707 621 A CB 0.768 19.480 19.000 -0.479 0.000 1.235 621 A HN 0.947 nan 8.150 nan 0.000 0.418 622 S N 1.638 117.083 115.700 -0.424 0.000 2.610 622 S HA 0.583 5.601 4.470 0.913 0.000 0.273 622 S C 1.378 175.890 174.600 -0.146 0.000 1.274 622 S CA -0.002 58.099 58.200 -0.165 0.000 1.023 622 S CB 1.498 64.704 63.200 0.009 0.000 0.962 622 S HN 1.921 nan 8.310 nan 0.000 0.523 623 A N 2.675 125.521 122.820 0.044 0.000 1.903 623 A HA -0.009 4.859 4.320 0.913 0.000 0.219 623 A C 2.171 179.733 177.584 -0.038 0.000 1.191 623 A CA 2.027 54.124 52.037 0.101 0.000 0.638 623 A CB -1.872 17.331 19.000 0.338 0.000 0.823 623 A HN 1.306 nan 8.150 nan 0.000 0.451 624 G N -1.611 107.126 108.800 -0.105 0.000 2.586 624 G HA2 -0.013 4.495 3.960 0.913 0.000 0.215 624 G HA3 -0.013 4.495 3.960 0.913 0.000 0.215 624 G C 1.337 175.972 174.900 -0.443 0.000 1.128 624 G CA 1.867 46.577 45.100 -0.649 0.000 0.774 624 G HN 0.818 nan 8.290 nan 0.000 0.543 625 T N -2.907 111.475 114.554 -0.286 0.000 2.971 625 T HA 0.308 5.206 4.350 0.913 0.000 0.252 625 T C 0.712 175.263 174.700 -0.248 0.000 1.022 625 T CA -0.234 61.724 62.100 -0.238 0.000 0.980 625 T CB 0.342 69.102 68.868 -0.181 0.000 1.044 625 T HN -0.106 nan 8.240 nan 0.000 0.501 626 V N 4.232 123.952 119.914 -0.323 0.000 2.637 626 V HA 0.401 5.069 4.120 0.913 0.000 0.296 626 V C 0.931 176.909 176.094 -0.193 0.000 1.046 626 V CA -0.550 61.532 62.300 -0.363 0.000 1.066 626 V CB 0.885 32.305 31.823 -0.672 0.000 0.968 626 V HN 0.727 nan 8.190 nan 0.000 0.483 627 S N 4.913 120.537 115.700 -0.126 0.000 2.564 627 S HA 0.241 5.259 4.470 0.913 0.000 0.278 627 S C 1.208 175.826 174.600 0.031 0.000 1.333 627 S CA -0.336 57.831 58.200 -0.053 0.000 1.048 627 S CB 0.654 63.812 63.200 -0.071 0.000 0.900 627 S HN 0.729 nan 8.310 nan 0.000 0.505 628 I N 2.183 122.804 120.570 0.084 0.000 2.315 628 I HA -0.199 4.519 4.170 0.913 0.000 0.251 628 I C 2.311 178.601 176.117 0.288 0.000 1.125 628 I CA 1.850 63.274 61.300 0.207 0.000 1.392 628 I CB -0.711 37.421 38.000 0.221 0.000 1.065 628 I HN 0.894 nan 8.210 nan 0.000 0.424 629 A N 0.078 122.988 122.820 0.151 0.000 1.930 629 A HA -0.266 4.602 4.320 0.913 0.000 0.217 629 A C 2.289 180.086 177.584 0.355 0.000 1.175 629 A CA 1.817 53.961 52.037 0.179 0.000 0.627 629 A CB -0.619 18.340 19.000 -0.069 0.000 0.815 629 A HN 0.648 nan 8.150 nan 0.000 0.443 630 E N -0.361 120.014 120.200 0.292 0.000 2.107 630 E HA -0.200 4.698 4.350 0.913 0.000 0.191 630 E C 2.116 178.889 176.600 0.288 0.000 0.982 630 E CA 0.996 57.618 56.400 0.370 0.000 0.809 630 E CB -0.141 29.692 29.700 0.223 0.000 0.756 630 E HN 0.750 nan 8.360 nan 0.000 0.459 631 Q N -0.375 119.555 119.800 0.216 0.000 2.061 631 Q HA -0.182 4.706 4.340 0.913 0.000 0.204 631 Q C 2.013 178.070 176.000 0.094 0.000 0.984 631 Q CA 1.684 57.587 55.803 0.167 0.000 0.846 631 Q CB -0.225 28.565 28.738 0.088 0.000 0.902 631 Q HN 0.306 nan 8.270 nan 0.000 0.421 632 F N 0.604 120.541 119.950 -0.022 0.000 2.095 632 F HA -0.263 4.812 4.527 0.914 0.000 0.298 632 F C 2.418 178.024 175.800 -0.323 0.000 1.104 632 F CA 1.342 59.176 58.000 -0.278 0.000 1.232 632 F CB -0.423 38.324 39.000 -0.422 0.000 0.987 632 F HN 0.088 nan 8.300 nan 0.000 0.475 633 A N -0.985 121.958 122.820 0.204 0.000 1.969 633 A HA -0.152 4.716 4.320 0.913 0.000 0.218 633 A C 2.174 179.993 177.584 0.392 0.000 1.169 633 A CA 2.117 54.383 52.037 0.382 0.000 0.635 633 A CB -1.190 18.065 19.000 0.424 0.000 0.810 633 A HN 0.363 nan 8.150 nan 0.000 0.445 634 T N -0.496 114.224 114.554 0.276 0.000 2.777 634 T HA -0.161 4.737 4.350 0.913 0.000 0.266 634 T C 2.076 176.881 174.700 0.176 0.000 1.040 634 T CA 1.534 63.767 62.100 0.222 0.000 1.141 634 T CB -0.214 68.787 68.868 0.222 0.000 0.868 634 T HN 0.704 nan 8.240 nan 0.000 0.444 635 Q N 0.944 120.802 119.800 0.097 0.000 2.050 635 Q HA -0.087 4.801 4.340 0.913 0.000 0.202 635 Q C 2.477 178.519 176.000 0.069 0.000 0.980 635 Q CA 1.542 57.373 55.803 0.047 0.000 0.840 635 Q CB -0.358 28.344 28.738 -0.060 0.000 0.898 635 Q HN 0.503 nan 8.270 nan 0.000 0.424 636 A N 0.430 123.306 122.820 0.092 0.000 1.940 636 A HA -0.204 4.664 4.320 0.913 0.000 0.219 636 A C 1.874 179.526 177.584 0.114 0.000 1.176 636 A CA 1.404 53.536 52.037 0.158 0.000 0.631 636 A CB -1.063 18.157 19.000 0.367 0.000 0.814 636 A HN 0.667 nan 8.150 nan 0.000 0.446 637 F N 0.615 120.524 119.950 -0.069 0.000 2.069 637 F HA -0.183 4.892 4.527 0.913 0.000 0.298 637 F C 1.908 177.700 175.800 -0.013 0.000 1.113 637 F CA 1.964 59.798 58.000 -0.277 0.000 1.214 637 F CB -0.384 38.242 39.000 -0.624 0.000 0.978 637 F HN 0.151 nan 8.300 nan 0.000 0.474 638 L N -0.115 121.114 121.223 0.009 0.000 2.046 638 L HA -0.225 4.663 4.340 0.913 0.000 0.208 638 L C 2.517 179.354 176.870 -0.056 0.000 1.077 638 L CA 1.648 56.495 54.840 0.012 0.000 0.747 638 L CB -0.808 41.357 42.059 0.176 0.000 0.896 638 L HN 0.238 nan 8.230 nan 0.000 0.432 639 Q N -0.430 119.330 119.800 -0.066 0.000 2.224 639 Q HA -0.143 4.745 4.340 0.913 0.000 0.203 639 Q C 1.926 177.788 176.000 -0.229 0.000 0.970 639 Q CA 1.969 57.706 55.803 -0.111 0.000 0.865 639 Q CB -0.063 28.635 28.738 -0.066 0.000 0.922 639 Q HN 0.378 nan 8.270 nan 0.000 0.445 640 T N -1.104 113.248 114.554 -0.336 0.000 2.901 640 T HA -0.007 4.890 4.350 0.913 0.000 0.252 640 T C 0.611 174.840 174.700 -0.785 0.000 1.035 640 T CA 1.202 62.946 62.100 -0.593 0.000 1.142 640 T CB -0.165 68.217 68.868 -0.809 0.000 0.869 640 T HN 0.350 nan 8.240 nan 0.000 0.442 641 Y N -1.239 118.795 120.300 -0.443 0.000 2.444 641 Y HA 0.336 5.434 4.550 0.913 0.000 0.249 641 Y C 1.840 177.576 175.900 -0.273 0.000 1.134 641 Y CA -1.001 56.858 58.100 -0.401 0.000 1.261 641 Y CB 0.437 38.581 38.460 -0.527 0.000 1.143 641 Y HN 0.320 nan 8.280 nan 0.000 0.523 642 W N -0.699 120.402 121.300 -0.332 0.000 3.875 642 W HA 0.281 5.488 4.660 0.912 0.000 0.221 642 W C -0.002 176.375 176.519 -0.236 0.000 0.947 642 W CA 0.365 57.567 57.345 -0.239 0.000 2.039 642 W CB 0.016 29.410 29.460 -0.110 0.000 0.954 642 W HN -0.205 nan 8.180 nan 0.000 0.792 643 S N 2.294 117.731 115.700 -0.438 0.000 2.513 643 S HA 0.078 5.096 4.470 0.913 0.000 0.276 643 S C 0.382 174.776 174.600 -0.344 0.000 1.254 643 S CA 0.125 58.047 58.200 -0.464 0.000 1.053 643 S CB 1.096 64.207 63.200 -0.147 0.000 0.958 643 S HN 0.305 nan 8.310 nan 0.000 0.491 644 D N 3.801 124.035 120.400 -0.276 0.000 2.379 644 D HA 0.100 5.288 4.640 0.913 0.000 0.208 644 D C 0.768 177.017 176.300 -0.084 0.000 1.065 644 D CA 0.258 54.169 54.000 -0.149 0.000 0.848 644 D CB -0.068 40.717 40.800 -0.027 0.000 0.949 644 D HN 0.325 nan 8.370 nan 0.000 0.509 645 N N 0.436 119.080 118.700 -0.093 0.000 2.605 645 N HA 0.528 5.816 4.740 0.913 0.000 0.277 645 N C 0.133 175.602 175.510 -0.067 0.000 1.355 645 N CA 0.004 53.013 53.050 -0.068 0.000 0.849 645 N CB 0.196 38.648 38.487 -0.058 0.000 1.111 645 N HN 0.192 nan 8.380 nan 0.000 0.441 646 A N -0.037 122.753 122.820 -0.050 0.000 2.464 646 A HA 0.684 5.552 4.320 0.913 0.000 0.268 646 A C -1.112 176.466 177.584 -0.011 0.000 1.244 646 A CA -0.395 51.619 52.037 -0.038 0.000 0.871 646 A CB 0.971 19.948 19.000 -0.038 0.000 1.400 646 A HN 0.195 nan 8.150 nan 0.000 0.455 647 V N 1.153 121.066 119.914 -0.001 0.000 2.419 647 V HA 0.429 5.097 4.120 0.913 0.000 0.287 647 V C 0.110 176.216 176.094 0.020 0.000 1.017 647 V CA -0.397 61.919 62.300 0.027 0.000 0.844 647 V CB 1.090 32.934 31.823 0.034 0.000 1.011 647 V HN 0.869 nan 8.190 nan 0.000 0.429 648 S N 4.970 120.686 115.700 0.027 0.000 2.499 648 S HA 0.642 5.659 4.470 0.913 0.000 0.275 648 S C -0.302 174.344 174.600 0.077 0.000 1.257 648 S CA -0.175 58.044 58.200 0.030 0.000 1.050 648 S CB 0.244 63.453 63.200 0.015 0.000 0.937 648 S HN 1.344 nan 8.310 nan 0.000 0.490 649 C N 2.593 121.959 119.300 0.111 0.000 3.218 649 C HA 0.529 5.537 4.460 0.913 0.000 0.420 649 C C -0.454 174.587 174.990 0.086 0.000 0.987 649 C CA -0.912 58.266 59.018 0.266 0.000 1.196 649 C CB 0.322 28.186 27.740 0.206 0.000 1.576 649 C HN 0.658 nan 8.230 nan 0.000 0.594 650 T N 3.878 118.465 114.554 0.054 0.000 2.729 650 T HA 0.465 5.362 4.350 0.913 0.000 0.296 650 T C 0.187 174.801 174.700 -0.142 0.000 0.928 650 T CA 0.172 62.246 62.100 -0.044 0.000 1.045 650 T CB 0.225 69.090 68.868 -0.006 0.000 0.902 650 T HN 0.612 nan 8.240 nan 0.000 0.500 651 I N 4.583 125.093 120.570 -0.100 0.000 2.312 651 I HA 0.220 4.938 4.170 0.913 0.000 0.291 651 I C 1.213 177.358 176.117 0.047 0.000 1.031 651 I CA -0.572 60.682 61.300 -0.076 0.000 1.293 651 I CB 0.886 38.758 38.000 -0.215 0.000 1.403 651 I HN 0.645 nan 8.210 nan 0.000 0.484 652 T N 3.533 118.119 114.554 0.054 0.000 2.927 652 T HA 0.772 5.669 4.350 0.913 0.000 0.281 652 T C -0.538 174.265 174.700 0.172 0.000 0.998 652 T CA -0.588 61.535 62.100 0.038 0.000 1.019 652 T CB 1.648 70.604 68.868 0.147 0.000 1.061 652 T HN 0.398 nan 8.240 nan 0.000 0.518 653 F N -1.646 118.391 119.950 0.145 0.000 2.672 653 F HA 0.544 5.619 4.527 0.913 0.000 0.311 653 F C -0.800 175.059 175.800 0.099 0.000 1.113 653 F CA -1.391 56.662 58.000 0.088 0.000 0.996 653 F CB 0.959 40.010 39.000 0.084 0.000 1.286 653 F HN 0.396 nan 8.300 nan 0.000 0.441 654 Q N 2.721 122.658 119.800 0.228 0.000 2.417 654 Q HA 0.107 4.995 4.340 0.913 0.000 0.241 654 Q C 1.044 177.204 176.000 0.267 0.000 1.008 654 Q CA 0.430 56.325 55.803 0.153 0.000 0.901 654 Q CB 1.086 29.845 28.738 0.034 0.000 1.259 654 Q HN 0.907 nan 8.270 nan 0.000 0.489 655 D N 0.273 120.786 120.400 0.188 0.000 2.158 655 D HA -0.204 4.984 4.640 0.913 0.000 0.197 655 D C 1.286 177.667 176.300 0.135 0.000 0.995 655 D CA 1.879 55.989 54.000 0.185 0.000 0.846 655 D CB -0.214 40.656 40.800 0.117 0.000 0.941 655 D HN 0.489 nan 8.370 nan 0.000 0.456 656 S N 0.458 116.212 115.700 0.090 0.000 2.419 656 S HA -0.198 4.819 4.470 0.913 0.000 0.235 656 S C 1.637 176.257 174.600 0.034 0.000 1.019 656 S CA 1.063 59.291 58.200 0.046 0.000 0.982 656 S CB -0.478 62.736 63.200 0.022 0.000 0.789 656 S HN 0.454 nan 8.310 nan 0.000 0.490 657 E N 0.805 121.047 120.200 0.069 0.000 2.474 657 E HA 0.215 5.113 4.350 0.913 0.000 0.195 657 E C 2.011 178.566 176.600 -0.076 0.000 1.039 657 E CA 0.186 56.597 56.400 0.018 0.000 0.881 657 E CB -0.252 29.490 29.700 0.069 0.000 0.970 657 E HN 0.653 nan 8.360 nan 0.000 0.486 658 G N 2.240 111.024 108.800 -0.027 0.000 2.469 658 G HA2 -0.294 4.213 3.960 0.913 0.000 0.220 658 G HA3 -0.294 4.213 3.960 0.913 0.000 0.220 658 G C 1.173 175.967 174.900 -0.176 0.000 1.136 658 G CA 1.005 46.010 45.100 -0.158 0.000 0.759 658 G HN 0.194 nan 8.290 nan 0.000 0.562 659 D N 0.298 120.642 120.400 -0.094 0.000 2.309 659 D HA -0.070 5.118 4.640 0.913 0.000 0.212 659 D C 2.406 178.639 176.300 -0.111 0.000 0.968 659 D CA 0.702 54.653 54.000 -0.082 0.000 0.882 659 D CB -0.072 40.698 40.800 -0.051 0.000 0.918 659 D HN 0.472 nan 8.370 nan 0.000 0.503 660 Q N 0.094 119.806 119.800 -0.146 0.000 2.398 660 Q HA 0.007 4.895 4.340 0.913 0.000 0.204 660 Q C 2.313 178.194 176.000 -0.198 0.000 0.932 660 Q CA 0.011 55.721 55.803 -0.156 0.000 0.916 660 Q CB 0.493 29.148 28.738 -0.138 0.000 1.024 660 Q HN 0.117 nan 8.270 nan 0.000 0.504 661 V N 1.571 121.340 119.914 -0.243 0.000 2.231 661 V HA -0.338 4.330 4.120 0.913 0.000 0.248 661 V C 2.220 178.234 176.094 -0.134 0.000 1.054 661 V CA 2.356 64.526 62.300 -0.216 0.000 1.015 661 V CB -0.574 31.077 31.823 -0.286 0.000 0.638 661 V HN 0.444 nan 8.190 nan 0.000 0.444 662 E N 0.067 120.210 120.200 -0.095 0.000 2.077 662 E HA -0.203 4.695 4.350 0.913 0.000 0.193 662 E C 2.331 178.858 176.600 -0.122 0.000 0.989 662 E CA 1.636 58.002 56.400 -0.056 0.000 0.800 662 E CB -0.077 29.617 29.700 -0.009 0.000 0.746 662 E HN 0.653 nan 8.360 nan 0.000 0.452 663 S N 0.885 116.502 115.700 -0.138 0.000 2.368 663 S HA -0.148 4.869 4.470 0.913 0.000 0.225 663 S C 2.028 176.491 174.600 -0.229 0.000 1.030 663 S CA 0.995 59.102 58.200 -0.154 0.000 0.999 663 S CB -0.250 62.871 63.200 -0.131 0.000 0.844 663 S HN 0.265 nan 8.310 nan 0.000 0.459 664 L N 0.951 121.971 121.223 -0.339 0.000 2.093 664 L HA -0.063 4.824 4.340 0.913 0.000 0.208 664 L C 2.295 178.868 176.870 -0.495 0.000 1.085 664 L CA 0.855 55.358 54.840 -0.562 0.000 0.755 664 L CB -0.621 40.724 42.059 -1.191 0.000 0.904 664 L HN 0.269 nan 8.230 nan 0.000 0.435 665 L N -0.477 120.514 121.223 -0.387 0.000 1.989 665 L HA -0.249 4.639 4.340 0.913 0.000 0.211 665 L C 2.934 179.491 176.870 -0.522 0.000 1.071 665 L CA 1.492 56.153 54.840 -0.298 0.000 0.749 665 L CB -0.549 41.336 42.059 -0.291 0.000 0.890 665 L HN 0.237 nan 8.230 nan 0.000 0.431 666 R N -0.478 119.708 120.500 -0.522 0.000 2.083 666 R HA -0.233 4.655 4.340 0.913 0.000 0.237 666 R C 2.251 178.428 176.300 -0.206 0.000 1.137 666 R CA 1.626 57.489 56.100 -0.396 0.000 0.951 666 R CB -0.549 29.646 30.300 -0.175 0.000 0.851 666 R HN 0.472 nan 8.270 nan 0.000 0.434 667 Q N 0.334 120.026 119.800 -0.180 0.000 2.077 667 Q HA -0.190 4.698 4.340 0.913 0.000 0.206 667 Q C 0.826 176.692 176.000 -0.222 0.000 0.989 667 Q CA 1.697 57.376 55.803 -0.207 0.000 0.853 667 Q CB 0.014 28.547 28.738 -0.341 0.000 0.907 667 Q HN 0.439 nan 8.270 nan 0.000 0.418 668 Y N 0.200 120.481 120.300 -0.032 0.000 2.495 668 Y HA 0.095 5.193 4.550 0.913 0.000 0.293 668 Y C 1.719 177.630 175.900 0.018 0.000 1.186 668 Y CA 0.146 58.285 58.100 0.065 0.000 1.266 668 Y CB 0.038 38.588 38.460 0.150 0.000 1.101 668 Y HN 0.203 nan 8.280 nan 0.000 0.517 669 R N -0.730 119.757 120.500 -0.022 0.000 2.249 669 R HA -0.148 4.740 4.340 0.913 0.000 0.230 669 R C 0.336 176.470 176.300 -0.278 0.000 1.121 669 R CA 1.581 57.575 56.100 -0.177 0.000 0.997 669 R CB -0.850 29.262 30.300 -0.313 0.000 0.867 669 R HN 0.269 nan 8.270 nan 0.000 0.465 670 F N -0.035 119.943 119.950 0.047 0.000 2.664 670 F HA 0.379 5.454 4.527 0.913 0.000 0.303 670 F C 1.468 177.224 175.800 -0.074 0.000 1.092 670 F CA -0.140 57.863 58.000 0.005 0.000 1.305 670 F CB 0.404 39.402 39.000 -0.004 0.000 1.054 670 F HN -0.073 nan 8.300 nan 0.000 0.565 671 I N -2.047 118.595 120.570 0.120 0.000 4.228 671 I HA 0.043 4.760 4.170 0.913 0.000 0.298 671 I C 0.417 176.547 176.117 0.022 0.000 1.206 671 I CA 0.316 61.640 61.300 0.041 0.000 1.322 671 I CB 0.135 38.237 38.000 0.171 0.000 1.411 671 I HN -0.309 nan 8.210 nan 0.000 0.454 672 T N 3.382 117.994 114.554 0.096 0.000 2.761 672 T HA 0.076 4.974 4.350 0.913 0.000 0.287 672 T C 1.008 175.721 174.700 0.023 0.000 0.931 672 T CA 0.219 62.358 62.100 0.065 0.000 1.164 672 T CB 0.784 69.724 68.868 0.119 0.000 0.876 672 T HN 0.170 nan 8.240 nan 0.000 0.534 673 K N 1.799 122.193 120.400 -0.009 0.000 2.243 673 K HA 0.057 4.925 4.320 0.913 0.000 0.201 673 K C 0.816 177.406 176.600 -0.016 0.000 1.051 673 K CA 0.399 56.674 56.287 -0.021 0.000 0.970 673 K CB 0.255 32.731 32.500 -0.039 0.000 0.755 673 K HN 0.705 nan 8.250 nan 0.000 0.465 674 S N -0.683 115.012 115.700 -0.008 0.000 2.552 674 S HA 0.324 5.342 4.470 0.913 0.000 0.272 674 S C -0.826 173.774 174.600 -0.001 0.000 1.150 674 S CA -0.996 57.200 58.200 -0.006 0.000 0.849 674 S CB 2.253 65.440 63.200 -0.021 0.000 1.113 674 S HN 0.013 nan 8.310 nan 0.000 0.458 675 T N -0.466 114.094 114.554 0.011 0.000 2.916 675 T HA 0.775 5.673 4.350 0.913 0.000 0.305 675 T C -1.511 173.194 174.700 0.009 0.000 1.119 675 T CA -0.290 61.806 62.100 -0.005 0.000 1.008 675 T CB 1.814 70.698 68.868 0.026 0.000 1.129 675 T HN 1.303 nan 8.240 nan 0.000 0.480 676 S N 3.302 118.993 115.700 -0.015 0.000 2.720 676 S HA 0.698 5.716 4.470 0.913 0.000 0.278 676 S C -1.802 172.806 174.600 0.012 0.000 1.172 676 S CA -0.626 57.583 58.200 0.014 0.000 1.019 676 S CB 0.392 63.601 63.200 0.015 0.000 1.049 676 S HN 0.621 nan 8.310 nan 0.000 0.483 677 L N 4.084 125.354 121.223 0.078 0.000 2.342 677 L HA 0.834 5.722 4.340 0.913 0.000 0.271 677 L C -0.836 176.109 176.870 0.125 0.000 1.008 677 L CA -0.563 54.373 54.840 0.159 0.000 0.818 677 L CB 1.828 44.094 42.059 0.346 0.000 1.296 677 L HN 0.706 nan 8.230 nan 0.000 0.427 678 L N 3.553 124.775 121.223 -0.002 0.000 2.482 678 L HA 0.680 5.568 4.340 0.913 0.000 0.263 678 L C -2.622 173.901 176.870 -0.579 0.000 0.957 678 L CA -1.372 53.366 54.840 -0.170 0.000 0.836 678 L CB 2.629 44.616 42.059 -0.119 0.000 1.324 678 L HN 0.303 nan 8.230 nan 0.000 0.406 679 P HA 0.074 nan 4.420 nan 0.000 0.269 679 P C -1.503 175.570 177.300 -0.378 0.000 1.252 679 P CA 0.208 62.846 63.100 -0.769 0.000 0.780 679 P CB -0.113 31.411 31.700 -0.292 0.000 0.829 680 Y N 4.928 124.960 120.300 -0.446 0.000 2.632 680 Y HA 0.320 5.418 4.550 0.914 0.000 0.329 680 Y C 0.694 176.535 175.900 -0.098 0.000 1.174 680 Y CA 0.856 58.845 58.100 -0.184 0.000 1.469 680 Y CB -0.258 38.137 38.460 -0.109 0.000 1.242 680 Y HN 0.394 nan 8.280 nan 0.000 0.540 681 F N 0.719 120.524 119.950 -0.241 0.000 2.174 681 F HA 0.470 5.544 4.527 0.913 0.000 0.234 681 F C 1.612 177.338 175.800 -0.124 0.000 1.304 681 F CA -0.398 57.569 58.000 -0.056 0.000 1.123 681 F CB -0.323 38.652 39.000 -0.042 0.000 2.117 681 F HN 0.928 nan 8.300 nan 0.000 0.133 682 G N -0.623 108.127 108.800 -0.084 0.000 2.708 682 G HA2 0.169 4.677 3.960 0.913 0.000 0.229 682 G HA3 0.169 4.677 3.960 0.913 0.000 0.229 682 G C 1.928 176.838 174.900 0.017 0.000 1.236 682 G CA 2.379 47.446 45.100 -0.055 0.000 0.749 682 G HN 3.073 nan 8.290 nan 0.000 0.515 683 G N -0.386 108.452 108.800 0.062 0.000 3.099 683 G HA2 -0.048 4.459 3.960 0.913 0.000 0.331 683 G HA3 -0.048 4.459 3.960 0.913 0.000 0.331 683 G C 0.731 175.688 174.900 0.095 0.000 1.216 683 G CA 2.243 47.395 45.100 0.087 0.000 0.977 683 G HN 2.462 nan 8.290 nan 0.000 0.600 684 S N -0.619 115.125 115.700 0.074 0.000 2.575 684 S HA 0.732 5.750 4.470 0.913 0.000 0.278 684 S C -0.790 173.854 174.600 0.073 0.000 1.139 684 S CA -0.343 57.906 58.200 0.081 0.000 0.954 684 S CB 1.279 64.523 63.200 0.073 0.000 1.054 684 S HN 0.907 nan 8.310 nan 0.000 0.483 685 L N 3.354 124.629 121.223 0.086 0.000 2.301 685 L HA 0.529 5.417 4.340 0.913 0.000 0.264 685 L C 1.055 177.995 176.870 0.116 0.000 1.016 685 L CA -0.682 54.219 54.840 0.101 0.000 0.821 685 L CB 2.018 44.132 42.059 0.092 0.000 1.346 685 L HN 0.811 nan 8.230 nan 0.000 0.429 686 Q N 0.539 120.433 119.800 0.157 0.000 1.941 686 Q HA -0.103 4.785 4.340 0.913 0.000 0.201 686 Q C 0.554 176.595 176.000 0.069 0.000 0.982 686 Q CA 1.882 57.741 55.803 0.093 0.000 0.839 686 Q CB 0.117 28.882 28.738 0.044 0.000 0.904 686 Q HN 0.556 nan 8.270 nan 0.000 0.427 687 Q N 0.119 119.975 119.800 0.094 0.000 2.465 687 Q HA 0.496 5.384 4.340 0.913 0.000 0.361 687 Q C -1.165 174.905 176.000 0.117 0.000 0.957 687 Q CA -0.300 55.548 55.803 0.075 0.000 1.065 687 Q CB 0.735 29.486 28.738 0.022 0.000 1.274 687 Q HN 0.432 nan 8.270 nan 0.000 0.421 688 A N 1.952 124.840 122.820 0.113 0.000 2.598 688 A HA -0.015 4.853 4.320 0.913 0.000 0.239 688 A C -1.201 176.431 177.584 0.079 0.000 1.032 688 A CA -0.724 51.368 52.037 0.091 0.000 0.760 688 A CB 0.052 19.111 19.000 0.098 0.000 0.946 688 A HN 0.336 nan 8.150 nan 0.000 0.512 689 P HA -0.085 nan 4.420 nan 0.000 0.222 689 P C -0.013 177.317 177.300 0.050 0.000 1.147 689 P CA 1.371 64.490 63.100 0.030 0.000 0.790 689 P CB 0.155 31.841 31.700 -0.024 0.000 0.780 690 K N 0.221 120.648 120.400 0.046 0.000 2.507 690 K HA 0.376 5.244 4.320 0.913 0.000 0.252 690 K C -0.583 176.161 176.600 0.241 0.000 0.943 690 K CA -0.451 55.913 56.287 0.128 0.000 0.808 690 K CB 2.500 35.019 32.500 0.032 0.000 1.142 690 K HN -0.101 nan 8.250 nan 0.000 0.426 691 E N 4.700 125.048 120.200 0.248 0.000 2.218 691 E HA 0.309 5.207 4.350 0.913 0.000 0.263 691 E C -2.586 174.144 176.600 0.217 0.000 0.879 691 E CA -2.326 54.211 56.400 0.229 0.000 0.762 691 E CB 1.848 31.647 29.700 0.165 0.000 1.166 691 E HN 0.212 nan 8.360 nan 0.000 0.415 692 P HA 0.180 nan 4.420 nan 0.000 0.276 692 P C -0.396 176.983 177.300 0.132 0.000 1.230 692 P CA 0.016 63.198 63.100 0.137 0.000 0.776 692 P CB 0.673 32.409 31.700 0.061 0.000 0.888 693 I N -0.548 120.115 120.570 0.154 0.000 3.074 693 I HA 0.549 5.267 4.170 0.913 0.000 0.310 693 I C -0.577 175.616 176.117 0.127 0.000 1.153 693 I CA -1.601 59.776 61.300 0.130 0.000 0.993 693 I CB 2.234 40.319 38.000 0.141 0.000 1.237 693 I HN 0.131 nan 8.210 nan 0.000 0.443 694 D N 1.533 121.964 120.400 0.052 0.000 2.354 694 D HA 0.172 5.359 4.640 0.913 0.000 0.247 694 D C 0.696 176.874 176.300 -0.203 0.000 1.138 694 D CA -0.739 53.256 54.000 -0.009 0.000 0.958 694 D CB 1.372 42.162 40.800 -0.016 0.000 1.144 694 D HN 0.737 nan 8.370 nan 0.000 0.458 695 K N -0.298 119.834 120.400 -0.447 0.000 2.160 695 K HA -0.223 4.645 4.320 0.913 0.000 0.206 695 K C 1.412 177.797 176.600 -0.359 0.000 1.047 695 K CA 1.223 56.975 56.287 -0.892 0.000 0.930 695 K CB 0.086 32.176 32.500 -0.684 0.000 0.720 695 K HN 0.401 nan 8.250 nan 0.000 0.450 696 E N 0.106 120.192 120.200 -0.190 0.000 2.023 696 E HA -0.170 4.728 4.350 0.913 0.000 0.196 696 E C 2.093 178.643 176.600 -0.082 0.000 1.003 696 E CA 1.873 58.210 56.400 -0.105 0.000 0.809 696 E CB -0.703 28.957 29.700 -0.068 0.000 0.755 696 E HN 0.368 nan 8.360 nan 0.000 0.449 697 T N 1.129 115.648 114.554 -0.058 0.000 2.665 697 T HA -0.226 4.672 4.350 0.913 0.000 0.268 697 T C 1.793 176.478 174.700 -0.024 0.000 1.035 697 T CA 1.722 63.806 62.100 -0.028 0.000 1.151 697 T CB -0.663 68.211 68.868 0.011 0.000 0.862 697 T HN 0.283 nan 8.240 nan 0.000 0.438 698 Y N 1.947 122.169 120.300 -0.130 0.000 2.165 698 Y HA -0.179 4.919 4.550 0.913 0.000 0.286 698 Y C 2.331 178.178 175.900 -0.088 0.000 1.155 698 Y CA 1.636 59.681 58.100 -0.091 0.000 1.164 698 Y CB -0.239 38.147 38.460 -0.124 0.000 0.978 698 Y HN 0.296 nan 8.280 nan 0.000 0.513 699 E N -0.059 120.053 120.200 -0.146 0.000 2.106 699 E HA -0.183 4.715 4.350 0.913 0.000 0.192 699 E C 2.097 178.570 176.600 -0.213 0.000 0.984 699 E CA 1.096 57.381 56.400 -0.191 0.000 0.806 699 E CB 0.001 29.662 29.700 -0.065 0.000 0.750 699 E HN 0.404 nan 8.360 nan 0.000 0.458 700 K N 0.773 121.077 120.400 -0.161 0.000 1.973 700 K HA -0.065 4.803 4.320 0.913 0.000 0.210 700 K C 2.056 178.551 176.600 -0.175 0.000 1.045 700 K CA 0.820 57.026 56.287 -0.135 0.000 0.937 700 K CB -0.380 32.063 32.500 -0.094 0.000 0.721 700 K HN 0.020 nan 8.250 nan 0.000 0.438 701 R N 1.237 121.628 120.500 -0.182 0.000 2.119 701 R HA -0.126 4.762 4.340 0.913 0.000 0.246 701 R C 2.480 178.616 176.300 -0.273 0.000 1.146 701 R CA 1.981 57.967 56.100 -0.191 0.000 0.962 701 R CB -1.229 28.990 30.300 -0.136 0.000 0.863 701 R HN 0.464 nan 8.270 nan 0.000 0.442 702 S N 0.443 115.896 115.700 -0.412 0.000 2.402 702 S HA -0.125 4.893 4.470 0.913 0.000 0.229 702 S C 1.950 176.377 174.600 -0.288 0.000 1.021 702 S CA 0.691 58.640 58.200 -0.418 0.000 0.974 702 S CB -0.165 62.641 63.200 -0.657 0.000 0.800 702 S HN 0.345 nan 8.310 nan 0.000 0.484 703 Q N 0.959 120.615 119.800 -0.241 0.000 2.167 703 Q HA -0.079 4.809 4.340 0.913 0.000 0.202 703 Q C 2.097 177.994 176.000 -0.172 0.000 0.970 703 Q CA 1.394 57.093 55.803 -0.174 0.000 0.855 703 Q CB -0.192 28.464 28.738 -0.137 0.000 0.911 703 Q HN 0.753 nan 8.270 nan 0.000 0.438 704 E N 0.391 120.477 120.200 -0.189 0.000 2.204 704 E HA -0.116 4.782 4.350 0.913 0.000 0.195 704 E C 0.231 176.689 176.600 -0.237 0.000 0.990 704 E CA 0.464 56.753 56.400 -0.184 0.000 0.821 704 E CB 0.003 29.597 29.700 -0.175 0.000 0.750 704 E HN 0.351 nan 8.360 nan 0.000 0.477 705 I N 2.557 122.940 120.570 -0.312 0.000 2.243 705 I HA 0.003 4.721 4.170 0.913 0.000 0.297 705 I C 0.172 176.125 176.117 -0.272 0.000 1.161 705 I CA 0.062 61.108 61.300 -0.423 0.000 1.298 705 I CB 0.230 37.850 38.000 -0.632 0.000 1.475 705 I HN -0.048 nan 8.210 nan 0.000 0.561 706 T N 0.724 115.156 114.554 -0.203 0.000 3.268 706 T HA 0.524 5.422 4.350 0.913 0.000 0.258 706 T C 0.242 174.879 174.700 -0.105 0.000 0.966 706 T CA -0.696 61.324 62.100 -0.133 0.000 0.952 706 T CB 0.340 69.146 68.868 -0.104 0.000 1.132 706 T HN 0.574 nan 8.240 nan 0.000 0.536 707 G N 0.798 109.529 108.800 -0.114 0.000 2.753 707 G HA2 0.444 4.952 3.960 0.913 0.000 0.297 707 G HA3 0.444 4.952 3.960 0.913 0.000 0.297 707 G C -1.552 173.326 174.900 -0.036 0.000 1.430 707 G CA -0.822 44.238 45.100 -0.066 0.000 1.040 707 G HN 0.193 nan 8.290 nan 0.000 0.530 708 N N 2.646 121.325 118.700 -0.034 0.000 2.500 708 N HA 0.067 5.355 4.740 0.913 0.000 0.236 708 N C 1.426 176.889 175.510 -0.079 0.000 1.022 708 N CA -0.381 52.641 53.050 -0.045 0.000 0.935 708 N CB 1.765 40.206 38.487 -0.077 0.000 1.147 708 N HN 0.228 nan 8.380 nan 0.000 0.512 709 V N 4.051 123.951 119.914 -0.023 0.000 2.370 709 V HA -0.249 4.419 4.120 0.913 0.000 0.252 709 V C 2.227 178.122 176.094 -0.332 0.000 1.068 709 V CA 2.494 64.762 62.300 -0.053 0.000 1.061 709 V CB -0.360 31.503 31.823 0.066 0.000 0.656 709 V HN 0.795 nan 8.190 nan 0.000 0.455 710 E N -0.050 119.687 120.200 -0.772 0.000 2.070 710 E HA -0.305 4.593 4.350 0.913 0.000 0.197 710 E C 2.070 178.320 176.600 -0.584 0.000 1.004 710 E CA 2.013 57.541 56.400 -1.454 0.000 0.805 710 E CB -0.220 28.488 29.700 -1.654 0.000 0.744 710 E HN 0.927 nan 8.360 nan 0.000 0.451 711 E N -0.194 119.812 120.200 -0.323 0.000 2.158 711 E HA -0.093 4.804 4.350 0.913 0.000 0.191 711 E C 2.228 178.789 176.600 -0.066 0.000 0.982 711 E CA 0.966 57.281 56.400 -0.142 0.000 0.823 711 E CB -0.007 29.635 29.700 -0.098 0.000 0.766 711 E HN 0.119 nan 8.360 nan 0.000 0.468 712 V N 1.131 121.015 119.914 -0.050 0.000 2.270 712 V HA -0.222 4.446 4.120 0.913 0.000 0.245 712 V C 2.106 178.240 176.094 0.066 0.000 1.043 712 V CA 1.792 64.098 62.300 0.010 0.000 1.014 712 V CB -0.615 31.226 31.823 0.030 0.000 0.645 712 V HN 0.216 nan 8.190 nan 0.000 0.447 713 F N 0.978 120.907 119.950 -0.035 0.000 2.134 713 F HA -0.187 4.887 4.527 0.912 0.000 0.299 713 F C 2.757 178.603 175.800 0.077 0.000 1.097 713 F CA 1.679 59.716 58.000 0.061 0.000 1.264 713 F CB -0.487 38.627 39.000 0.190 0.000 1.001 713 F HN 0.119 nan 8.300 nan 0.000 0.479 714 S N -0.052 115.713 115.700 0.107 0.000 2.365 714 S HA -0.318 4.700 4.470 0.913 0.000 0.221 714 S C 2.230 176.800 174.600 -0.050 0.000 1.037 714 S CA 1.822 60.051 58.200 0.048 0.000 1.060 714 S CB -0.825 62.412 63.200 0.061 0.000 0.974 714 S HN 0.654 nan 8.310 nan 0.000 0.427 715 Q N 0.550 120.327 119.800 -0.038 0.000 2.291 715 Q HA 0.020 4.908 4.340 0.913 0.000 0.205 715 Q C 2.135 178.092 176.000 -0.072 0.000 0.970 715 Q CA 1.042 56.820 55.803 -0.042 0.000 0.876 715 Q CB -0.519 28.206 28.738 -0.023 0.000 0.935 715 Q HN 0.683 nan 8.270 nan 0.000 0.455 716 L N 0.653 121.808 121.223 -0.114 0.000 2.093 716 L HA -0.116 4.772 4.340 0.913 0.000 0.208 716 L C 2.418 179.182 176.870 -0.177 0.000 1.085 716 L CA 1.420 56.182 54.840 -0.131 0.000 0.755 716 L CB -0.415 41.559 42.059 -0.142 0.000 0.904 716 L HN 0.373 nan 8.230 nan 0.000 0.435 717 N N -1.102 117.424 118.700 -0.289 0.000 2.309 717 N HA -0.153 5.135 4.740 0.913 0.000 0.182 717 N C 1.796 177.247 175.510 -0.098 0.000 1.018 717 N CA 0.920 53.826 53.050 -0.239 0.000 0.876 717 N CB 0.249 38.541 38.487 -0.325 0.000 0.972 717 N HN 0.177 nan 8.380 nan 0.000 0.434 718 S N 0.347 116.001 115.700 -0.075 0.000 2.371 718 S HA -0.067 4.951 4.470 0.913 0.000 0.224 718 S C 1.000 175.583 174.600 -0.027 0.000 1.029 718 S CA 0.862 59.042 58.200 -0.034 0.000 0.978 718 S CB -0.093 63.094 63.200 -0.021 0.000 0.833 718 S HN 0.401 nan 8.310 nan 0.000 0.466 719 D N 1.109 121.488 120.400 -0.035 0.000 2.106 719 D HA 0.037 5.225 4.640 0.913 0.000 0.203 719 D C 0.650 176.939 176.300 -0.018 0.000 0.977 719 D CA 0.582 54.568 54.000 -0.023 0.000 0.844 719 D CB -0.498 40.287 40.800 -0.024 0.000 1.002 719 D HN 0.140 nan 8.370 nan 0.000 0.461 720 V N 1.415 121.313 119.914 -0.026 0.000 2.555 720 V HA 0.375 5.043 4.120 0.913 0.000 0.286 720 V C 0.751 176.846 176.094 0.002 0.000 1.044 720 V CA -0.573 61.720 62.300 -0.012 0.000 1.026 720 V CB 0.578 32.391 31.823 -0.017 0.000 0.981 720 V HN 0.198 nan 8.190 nan 0.000 0.480 721 K N 2.304 122.714 120.400 0.016 0.000 2.339 721 K HA 0.333 5.201 4.320 0.913 0.000 0.286 721 K C 0.406 177.036 176.600 0.050 0.000 1.050 721 K CA -0.130 56.177 56.287 0.033 0.000 0.956 721 K CB -0.343 32.175 32.500 0.031 0.000 0.990 721 K HN 0.898 nan 8.250 nan 0.000 0.475 722 D N 0.647 121.095 120.400 0.081 0.000 2.746 722 D HA -0.162 5.026 4.640 0.913 0.000 0.236 722 D C 0.856 177.212 176.300 0.094 0.000 1.129 722 D CA 0.899 54.965 54.000 0.109 0.000 0.691 722 D CB -1.375 39.474 40.800 0.081 0.000 1.077 722 D HN 0.555 nan 8.370 nan 0.000 0.432 723 L N -0.079 121.196 121.223 0.086 0.000 2.127 723 L HA -0.059 4.829 4.340 0.913 0.000 0.211 723 L C 1.014 177.957 176.870 0.122 0.000 1.089 723 L CA 1.912 56.790 54.840 0.064 0.000 0.757 723 L CB 0.113 42.156 42.059 -0.026 0.000 0.899 723 L HN 0.209 nan 8.230 nan 0.000 0.434 724 E N 0.000 120.307 120.200 0.179 0.000 2.725 724 E HA 0.000 4.898 4.350 0.913 0.000 0.291 724 E CA 0.000 56.481 56.400 0.135 0.000 0.976 724 E CB 0.000 29.877 29.700 0.295 0.000 0.812 724 E HN 0.000 nan 8.360 nan 0.000 0.440