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 1i5p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNNVLNSGRT TICDAYNVVA HDPFSFEHKS LDTIQKEWME WKRTDHSLYV DATA SEQUENCE APVVGTVSSF LLKKVGSLIG KRILSELWGI IFPSGSTNLM QDILRETEQF DATA SEQUENCE LNQRLNTDTL ARVNAELIGL QANIREFNQQ VDNFLNPTQN PVPLSITSSV DATA SEQUENCE NTMQQLFLNR LPQFQIQGYQ LLLLPLFAQA ANMHLSFIRD VILNADEWGI DATA SEQUENCE SAATLRTYRD YLRNYTRDYS NYCINTYQTA FRGLNTRLHD MLEFRTYMFL DATA SEQUENCE NVFEYVSIWS LFKYQSLMVS SGANLYASGS GPQQTQSFTA QNWPFLYSLF DATA SEQUENCE QVNSNYILSG ISGTRLSITF PNIGGLPGST TTHSLNSARV NYSGGVSSGL DATA SEQUENCE IGATNLNHNF NcSTVLPPLS TPFVRSWLDS GTDREGVATS TNWQTESFQT DATA SEQUENCE TLSLRcGAFS ARGNSNYFPD YFIRNISGVP LVIRNEDLTR PLHYNQIRNI DATA SEQUENCE ESPSGTPGGA RAYLVSVHNR KNNIYAANEN GTMIHLAPED YTGFTISPIH DATA SEQUENCE ATQVNNQTRT FISEKFGNQG DSLRFEQSNT TARYTLRGNG NSYNLYLRVS DATA SEQUENCE SIGNSTIRVT INGRVYTVSN VNTTTNNDGV NDNGARFSDI NIGNIVASDN DATA SEQUENCE TNVTLDINVT LNSGTPFDLM NIMFVPTNLP PLY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.194 176.300 -0.177 0.000 1.140 1 M CA 0.000 55.248 55.300 -0.086 0.000 0.988 1 M CB 0.000 32.548 32.600 -0.087 0.000 1.302 2 N N 0.199 118.752 118.700 -0.245 0.000 2.191 2 N HA 0.250 4.990 4.740 0.000 0.000 0.183 2 N C 0.506 175.751 175.510 -0.441 0.000 1.474 2 N CA -0.420 52.313 53.050 -0.528 0.000 1.043 2 N CB -0.486 37.735 38.487 -0.443 0.000 1.332 2 N HN 0.763 nan 8.380 nan 0.000 0.321 3 N N 0.395 118.876 118.700 -0.366 0.000 2.334 3 N HA -0.114 4.626 4.740 0.000 0.000 0.187 3 N C 0.251 175.653 175.510 -0.180 0.000 1.016 3 N CA 0.945 53.854 53.050 -0.236 0.000 0.879 3 N CB -0.092 38.326 38.487 -0.115 0.000 0.965 3 N HN 0.372 nan 8.380 nan 0.000 0.438 4 V N 1.187 121.010 119.914 -0.152 0.000 3.299 4 V HA 0.141 4.261 4.120 0.000 0.000 0.369 4 V C 0.932 176.949 176.094 -0.128 0.000 1.245 4 V CA -0.288 61.943 62.300 -0.116 0.000 1.459 4 V CB -0.980 30.796 31.823 -0.078 0.000 1.203 4 V HN 0.102 nan 8.190 nan 0.000 0.451 5 L N 3.818 124.946 121.223 -0.158 0.000 2.500 5 L HA 0.223 4.563 4.340 0.000 0.000 0.272 5 L C 0.594 177.395 176.870 -0.115 0.000 1.149 5 L CA 0.884 55.640 54.840 -0.140 0.000 0.897 5 L CB -0.138 41.828 42.059 -0.155 0.000 1.178 5 L HN 0.638 nan 8.230 nan 0.000 0.473 6 N N 3.644 122.291 118.700 -0.087 0.000 2.525 6 N HA 0.320 5.060 4.740 0.000 0.000 0.271 6 N C -0.071 175.401 175.510 -0.064 0.000 1.194 6 N CA -0.144 52.862 53.050 -0.072 0.000 0.964 6 N CB 1.794 40.248 38.487 -0.054 0.000 1.126 6 N HN 0.619 nan 8.380 nan 0.000 0.452 7 S N -0.437 115.223 115.700 -0.066 0.000 2.645 7 S HA 0.679 5.149 4.470 0.000 0.000 0.268 7 S C -1.178 173.386 174.600 -0.060 0.000 1.110 7 S CA -0.277 57.888 58.200 -0.058 0.000 0.823 7 S CB 1.236 64.396 63.200 -0.067 0.000 1.091 7 S HN 1.008 nan 8.310 nan 0.000 0.466 8 G N 0.852 109.625 108.800 -0.044 0.000 2.384 8 G HA2 0.456 4.417 3.960 0.000 0.000 0.300 8 G HA3 0.456 4.417 3.960 0.000 0.000 0.300 8 G C -0.229 174.667 174.900 -0.008 0.000 1.582 8 G CA 0.067 45.147 45.100 -0.034 0.000 0.875 8 G HN 1.011 nan 8.290 nan 0.000 0.628 9 R N -0.731 119.776 120.500 0.011 0.000 2.140 9 R HA 0.439 4.779 4.340 0.000 0.000 0.200 9 R C 1.126 177.443 176.300 0.027 0.000 1.069 9 R CA 1.632 57.751 56.100 0.032 0.000 1.088 9 R CB 0.499 30.842 30.300 0.071 0.000 1.012 9 R HN 0.977 nan 8.270 nan 0.000 0.500 10 T N -0.646 113.922 114.554 0.024 0.000 3.993 10 T HA -0.024 4.326 4.350 0.000 0.000 0.340 10 T C -0.704 174.005 174.700 0.015 0.000 0.865 10 T CA 0.388 62.499 62.100 0.018 0.000 1.246 10 T CB -0.832 68.050 68.868 0.024 0.000 0.970 10 T HN 0.303 nan 8.240 nan 0.000 0.524 11 T N 4.454 119.021 114.554 0.021 0.000 2.819 11 T HA 0.294 4.644 4.350 0.000 0.000 0.282 11 T C 0.525 175.231 174.700 0.010 0.000 1.013 11 T CA 0.606 62.716 62.100 0.016 0.000 1.159 11 T CB -0.423 68.459 68.868 0.024 0.000 1.007 11 T HN 0.441 nan 8.240 nan 0.000 0.514 12 I N 1.059 121.634 120.570 0.008 0.000 2.713 12 I HA 0.457 4.627 4.170 0.000 0.000 0.300 12 I C 1.055 177.178 176.117 0.010 0.000 1.009 12 I CA -0.711 60.593 61.300 0.008 0.000 1.305 12 I CB 1.002 39.007 38.000 0.009 0.000 1.430 12 I HN 0.696 nan 8.210 nan 0.000 0.546 13 C N 1.361 120.669 119.300 0.013 0.000 4.214 13 C HA 0.090 4.550 4.460 0.000 0.000 0.336 13 C C -0.383 174.623 174.990 0.026 0.000 2.348 13 C CA -0.062 58.966 59.018 0.017 0.000 1.505 13 C CB -1.403 26.343 27.740 0.011 0.000 2.638 13 C HN 1.048 nan 8.230 nan 0.000 0.514 14 D N -0.222 120.196 120.400 0.030 0.000 10.993 14 D HA -0.151 4.489 4.640 0.000 0.000 0.355 14 D C 0.815 177.145 176.300 0.050 0.000 3.109 14 D CA 0.985 55.014 54.000 0.048 0.000 2.648 14 D CB 0.074 40.920 40.800 0.078 0.000 1.149 14 D HN 0.551 nan 8.370 nan 0.000 0.930 15 A N 3.358 126.213 122.820 0.059 0.000 1.930 15 A HA -0.172 4.148 4.320 0.000 0.000 0.217 15 A C 1.394 179.021 177.584 0.072 0.000 1.175 15 A CA 1.316 53.384 52.037 0.051 0.000 0.627 15 A CB -0.309 18.722 19.000 0.051 0.000 0.815 15 A HN 0.582 nan 8.150 nan 0.000 0.443 16 Y N 1.724 122.026 120.300 0.003 0.000 2.758 16 Y HA 0.151 4.701 4.550 0.000 0.000 0.351 16 Y C 0.899 176.805 175.900 0.009 0.000 1.214 16 Y CA 0.506 58.609 58.100 0.006 0.000 1.983 16 Y CB -0.723 37.739 38.460 0.005 0.000 2.062 16 Y HN 0.542 nan 8.280 nan 0.000 0.416 17 N N 0.975 119.559 118.700 -0.195 0.000 2.395 17 N HA -0.104 4.636 4.740 0.000 0.000 0.334 17 N C -0.499 174.955 175.510 -0.093 0.000 1.004 17 N CA 1.036 53.988 53.050 -0.164 0.000 1.351 17 N CB -0.063 38.392 38.487 -0.054 0.000 2.253 17 N HN 0.225 nan 8.380 nan 0.000 1.053 18 V N -1.273 118.607 119.914 -0.056 0.000 4.210 18 V HA 0.302 4.422 4.120 0.000 0.000 0.481 18 V C 1.228 177.319 176.094 -0.005 0.000 1.776 18 V CA 0.019 62.308 62.300 -0.018 0.000 1.990 18 V CB -0.353 31.469 31.823 -0.002 0.000 1.062 18 V HN -0.027 nan 8.190 nan 0.000 0.513 19 V N 1.353 121.260 119.914 -0.012 0.000 2.490 19 V HA 0.247 4.367 4.120 0.000 0.000 0.250 19 V C 1.387 177.489 176.094 0.014 0.000 1.061 19 V CA 2.221 64.524 62.300 0.004 0.000 1.064 19 V CB 0.185 32.020 31.823 0.020 0.000 0.670 19 V HN 0.935 nan 8.190 nan 0.000 0.461 20 A N -0.659 122.173 122.820 0.019 0.000 2.317 20 A HA 0.636 4.956 4.320 0.000 0.000 0.327 20 A C -0.887 176.747 177.584 0.084 0.000 1.178 20 A CA -0.419 51.642 52.037 0.040 0.000 0.817 20 A CB 0.540 19.555 19.000 0.024 0.000 1.189 20 A HN 0.719 nan 8.150 nan 0.000 0.489 21 H N 1.089 120.151 119.070 -0.014 0.000 2.589 21 H HA 0.505 5.062 4.556 0.000 0.000 0.351 21 H C -1.395 173.934 175.328 0.001 0.000 1.074 21 H CA -0.436 55.606 56.048 -0.010 0.000 1.203 21 H CB 1.517 31.244 29.762 -0.058 0.000 1.558 21 H HN 0.551 nan 8.280 nan 0.000 0.522 22 D N 6.164 126.280 120.400 -0.473 0.000 2.380 22 D HA 0.138 4.778 4.640 0.000 0.000 0.230 22 D C -1.705 174.363 176.300 -0.386 0.000 1.154 22 D CA -2.572 51.284 54.000 -0.241 0.000 0.859 22 D CB 1.570 42.356 40.800 -0.023 0.000 1.045 22 D HN 0.431 nan 8.370 nan 0.000 0.495 23 P HA -0.045 nan 4.420 nan 0.000 0.234 23 P C 0.180 177.114 177.300 -0.610 0.000 1.167 23 P CA 0.512 63.373 63.100 -0.398 0.000 0.763 23 P CB -0.050 31.375 31.700 -0.459 0.000 0.835 24 F N -0.212 119.657 119.950 -0.136 0.000 2.835 24 F HA 0.140 4.667 4.527 0.000 0.000 0.342 24 F C 1.983 177.614 175.800 -0.282 0.000 1.202 24 F CA -0.362 57.485 58.000 -0.255 0.000 1.240 24 F CB 0.011 38.698 39.000 -0.522 0.000 1.005 24 F HN -0.165 nan 8.300 nan 0.000 0.507 25 S N 0.170 115.901 115.700 0.051 0.000 2.374 25 S HA -0.309 4.161 4.470 0.000 0.000 0.227 25 S C 1.964 176.668 174.600 0.173 0.000 1.037 25 S CA 1.289 59.566 58.200 0.128 0.000 1.024 25 S CB -0.879 62.399 63.200 0.130 0.000 0.861 25 S HN 0.484 nan 8.310 nan 0.000 0.456 26 F N 3.111 123.113 119.950 0.087 0.000 2.095 26 F HA -0.061 4.466 4.527 0.000 0.000 0.298 26 F C 2.165 178.014 175.800 0.082 0.000 1.104 26 F CA 1.944 59.998 58.000 0.089 0.000 1.232 26 F CB -0.608 38.441 39.000 0.081 0.000 0.987 26 F HN 0.094 nan 8.300 nan 0.000 0.475 27 E N -0.703 119.507 120.200 0.018 0.000 2.153 27 E HA -0.192 4.158 4.350 0.000 0.000 0.194 27 E C 1.802 178.360 176.600 -0.069 0.000 0.988 27 E CA 1.751 58.086 56.400 -0.108 0.000 0.811 27 E CB -0.549 29.144 29.700 -0.012 0.000 0.746 27 E HN 0.655 nan 8.360 nan 0.000 0.466 28 H N -0.772 118.298 119.070 0.000 0.000 2.548 28 H HA 0.169 4.725 4.556 0.000 0.000 0.265 28 H C 0.320 175.628 175.328 -0.034 0.000 0.969 28 H CA -0.153 55.891 56.048 -0.007 0.000 1.155 28 H CB 0.417 30.204 29.762 0.041 0.000 1.394 28 H HN -0.127 nan 8.280 nan 0.000 0.570 29 K N 1.887 122.304 120.400 0.028 0.000 2.174 29 K HA 0.117 4.437 4.320 0.000 0.000 0.275 29 K C 0.174 176.744 176.600 -0.050 0.000 1.015 29 K CA -0.444 55.839 56.287 -0.007 0.000 0.933 29 K CB 1.144 33.633 32.500 -0.020 0.000 1.025 29 K HN 0.128 nan 8.250 nan 0.000 0.463 30 S N 2.455 118.155 115.700 -0.000 0.000 2.632 30 S HA 0.074 4.544 4.470 0.000 0.000 0.267 30 S C 1.040 175.655 174.600 0.025 0.000 1.276 30 S CA -0.717 57.490 58.200 0.010 0.000 0.998 30 S CB 0.945 64.164 63.200 0.032 0.000 0.953 30 S HN 0.597 nan 8.310 nan 0.000 0.547 31 L N 1.041 122.295 121.223 0.051 0.000 2.093 31 L HA 0.009 4.349 4.340 0.000 0.000 0.208 31 L C 2.052 178.980 176.870 0.096 0.000 1.085 31 L CA 2.231 57.126 54.840 0.092 0.000 0.755 31 L CB -1.160 40.982 42.059 0.138 0.000 0.904 31 L HN 1.007 nan 8.230 nan 0.000 0.435 32 D N -1.834 118.613 120.400 0.079 0.000 2.123 32 D HA -0.203 4.437 4.640 0.000 0.000 0.196 32 D C 1.888 178.242 176.300 0.089 0.000 0.992 32 D CA 1.788 55.834 54.000 0.077 0.000 0.833 32 D CB 0.071 40.908 40.800 0.062 0.000 0.954 32 D HN 0.336 nan 8.370 nan 0.000 0.455 33 T N -0.182 114.422 114.554 0.082 0.000 2.746 33 T HA -0.085 4.265 4.350 0.000 0.000 0.267 33 T C 2.049 176.825 174.700 0.127 0.000 1.039 33 T CA 1.015 63.169 62.100 0.089 0.000 1.142 33 T CB -0.261 68.650 68.868 0.072 0.000 0.866 33 T HN 0.193 nan 8.240 nan 0.000 0.444 34 I N 0.863 121.523 120.570 0.151 0.000 2.226 34 I HA -0.216 3.954 4.170 0.000 0.000 0.245 34 I C 2.828 179.145 176.117 0.332 0.000 1.100 34 I CA 1.346 62.797 61.300 0.252 0.000 1.374 34 I CB -0.349 37.812 38.000 0.268 0.000 1.057 34 I HN 0.284 nan 8.210 nan 0.000 0.413 35 Q N 1.248 121.188 119.800 0.233 0.000 2.084 35 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 35 Q C 2.146 178.281 176.000 0.224 0.000 0.978 35 Q CA 1.679 57.611 55.803 0.216 0.000 0.844 35 Q CB 0.090 28.901 28.738 0.122 0.000 0.898 35 Q HN 0.387 nan 8.270 nan 0.000 0.426 36 K N 0.093 120.595 120.400 0.170 0.000 2.097 36 K HA -0.159 4.161 4.320 0.000 0.000 0.206 36 K C 2.025 178.721 176.600 0.160 0.000 1.049 36 K CA 1.488 57.861 56.287 0.143 0.000 0.933 36 K CB -0.015 32.547 32.500 0.104 0.000 0.717 36 K HN 0.329 nan 8.250 nan 0.000 0.442 37 E N -0.301 119.994 120.200 0.158 0.000 2.077 37 E HA -0.187 4.163 4.350 0.000 0.000 0.193 37 E C 1.797 178.454 176.600 0.095 0.000 0.989 37 E CA 1.130 57.589 56.400 0.098 0.000 0.800 37 E CB -0.070 29.650 29.700 0.034 0.000 0.746 37 E HN 0.383 nan 8.360 nan 0.000 0.452 38 W N 0.562 121.942 121.300 0.134 0.000 2.388 38 W HA -0.064 4.596 4.660 0.000 0.000 0.294 38 W C 2.315 179.000 176.519 0.276 0.000 1.212 38 W CA 0.752 58.195 57.345 0.163 0.000 1.271 38 W CB -0.116 29.381 29.460 0.061 0.000 1.126 38 W HN 0.051 nan 8.180 nan 0.000 0.535 39 M N -0.405 119.424 119.600 0.382 0.000 2.117 39 M HA -0.202 4.278 4.480 0.000 0.000 0.262 39 M C 2.056 178.481 176.300 0.208 0.000 1.065 39 M CA 1.439 56.896 55.300 0.262 0.000 1.114 39 M CB -0.423 32.281 32.600 0.175 0.000 1.361 39 M HN -0.144 nan 8.290 nan 0.000 0.408 40 E N -0.682 119.630 120.200 0.186 0.000 2.106 40 E HA -0.213 4.137 4.350 0.000 0.000 0.192 40 E C 1.543 178.231 176.600 0.148 0.000 0.984 40 E CA 1.136 57.614 56.400 0.130 0.000 0.806 40 E CB -0.378 29.385 29.700 0.105 0.000 0.750 40 E HN 0.654 nan 8.360 nan 0.000 0.458 41 W N 2.577 123.871 121.300 -0.009 0.000 2.335 41 W HA -0.272 4.388 4.660 0.000 0.000 0.311 41 W C 2.308 178.814 176.519 -0.021 0.000 1.213 41 W CA 2.259 59.575 57.345 -0.047 0.000 1.274 41 W CB -0.191 29.159 29.460 -0.183 0.000 1.148 41 W HN -0.061 nan 8.180 nan 0.000 0.498 42 K N 0.933 121.388 120.400 0.092 0.000 2.032 42 K HA -0.231 4.089 4.320 0.000 0.000 0.209 42 K C 2.331 178.806 176.600 -0.207 0.000 1.048 42 K CA 2.228 58.408 56.287 -0.177 0.000 0.927 42 K CB -0.781 31.778 32.500 0.098 0.000 0.712 42 K HN 0.241 nan 8.250 nan 0.000 0.441 43 R N -0.592 119.863 120.500 -0.076 0.000 2.075 43 R HA -0.092 4.248 4.340 0.000 0.000 0.232 43 R C 1.687 177.927 176.300 -0.099 0.000 1.126 43 R CA 2.077 58.136 56.100 -0.067 0.000 0.963 43 R CB -0.297 29.997 30.300 -0.010 0.000 0.858 43 R HN 0.512 nan 8.270 nan 0.000 0.435 44 T N -2.868 111.621 114.554 -0.108 0.000 2.990 44 T HA 0.146 4.496 4.350 0.000 0.000 0.250 44 T C 0.265 174.872 174.700 -0.155 0.000 1.041 44 T CA -0.413 61.626 62.100 -0.101 0.000 1.010 44 T CB 0.345 69.181 68.868 -0.053 0.000 1.003 44 T HN 0.002 nan 8.240 nan 0.000 0.499 45 D N 0.971 121.198 120.400 -0.288 0.000 2.494 45 D HA 0.253 4.893 4.640 0.000 0.000 0.259 45 D C -0.698 175.331 176.300 -0.451 0.000 1.109 45 D CA -0.572 53.216 54.000 -0.353 0.000 1.040 45 D CB 0.733 41.308 40.800 -0.375 0.000 1.175 45 D HN 0.261 nan 8.370 nan 0.000 0.584 46 H N 0.087 118.895 119.070 -0.436 0.000 3.205 46 H HA 0.242 4.798 4.556 0.000 0.000 0.262 46 H C -0.265 174.777 175.328 -0.477 0.000 1.333 46 H CA -0.515 55.324 56.048 -0.349 0.000 1.499 46 H CB -0.411 29.240 29.762 -0.185 0.000 1.609 46 H HN 0.106 nan 8.280 nan 0.000 0.498 47 S N 3.324 118.500 115.700 -0.873 0.000 2.652 47 S HA 0.222 4.692 4.470 0.000 0.000 0.270 47 S C 0.324 174.605 174.600 -0.532 0.000 1.243 47 S CA -0.947 56.704 58.200 -0.915 0.000 0.999 47 S CB 1.269 63.878 63.200 -0.984 0.000 0.973 47 S HN 0.456 nan 8.310 nan 0.000 0.544 48 L N 1.742 122.882 121.223 -0.139 0.000 2.978 48 L HA 0.421 4.761 4.340 0.000 0.000 0.239 48 L C -0.534 176.544 176.870 0.346 0.000 1.293 48 L CA 0.081 54.959 54.840 0.063 0.000 1.085 48 L CB -1.882 40.264 42.059 0.144 0.000 1.432 48 L HN 0.857 nan 8.230 nan 0.000 0.512 49 Y N -3.035 117.334 120.300 0.114 0.000 4.729 49 Y HA -0.255 4.295 4.550 0.000 0.000 0.239 49 Y C 0.584 176.631 175.900 0.245 0.000 1.043 49 Y CA 0.151 58.373 58.100 0.204 0.000 2.045 49 Y CB -1.542 37.110 38.460 0.320 0.000 1.599 49 Y HN -0.006 nan 8.280 nan 0.000 0.655 50 V N 1.134 121.162 119.914 0.191 0.000 2.555 50 V HA 0.464 4.584 4.120 0.000 0.000 0.286 50 V C 0.840 177.022 176.094 0.147 0.000 1.044 50 V CA -0.060 62.249 62.300 0.016 0.000 1.026 50 V CB 1.274 33.137 31.823 0.067 0.000 0.981 50 V HN 0.328 nan 8.190 nan 0.000 0.480 51 A N 8.655 131.514 122.820 0.065 0.000 2.404 51 A HA 0.418 4.738 4.320 0.000 0.000 0.273 51 A C -0.575 177.074 177.584 0.107 0.000 1.144 51 A CA -1.135 50.955 52.037 0.089 0.000 0.806 51 A CB 0.092 19.110 19.000 0.031 0.000 1.080 51 A HN 0.742 nan 8.150 nan 0.000 0.509 52 P HA -0.192 nan 4.420 nan 0.000 0.217 52 P C 1.510 178.791 177.300 -0.031 0.000 1.148 52 P CA 1.453 64.735 63.100 0.302 0.000 0.828 52 P CB 0.080 32.038 31.700 0.430 0.000 0.783 53 V N 1.127 121.012 119.914 -0.048 0.000 2.568 53 V HA -0.204 3.916 4.120 0.000 0.000 0.253 53 V C 2.679 178.641 176.094 -0.219 0.000 1.072 53 V CA 2.149 64.372 62.300 -0.129 0.000 1.084 53 V CB -1.053 30.698 31.823 -0.119 0.000 0.676 53 V HN 0.063 nan 8.190 nan 0.000 0.469 54 V N -0.472 119.300 119.914 -0.236 0.000 2.407 54 V HA -0.036 4.084 4.120 0.000 0.000 0.248 54 V C 2.491 178.305 176.094 -0.467 0.000 1.055 54 V CA 2.277 64.448 62.300 -0.215 0.000 1.049 54 V CB -1.817 29.878 31.823 -0.214 0.000 0.662 54 V HN 0.451 nan 8.190 nan 0.000 0.455 55 G N 0.028 108.231 108.800 -0.994 0.000 2.402 55 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 55 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 55 G C 1.561 175.841 174.900 -1.032 0.000 1.162 55 G CA 1.378 45.400 45.100 -1.796 0.000 0.777 55 G HN 0.509 nan 8.290 nan 0.000 0.539 56 T N 0.991 115.142 114.554 -0.671 0.000 2.708 56 T HA -0.105 4.245 4.350 0.000 0.000 0.266 56 T C 2.568 177.248 174.700 -0.033 0.000 1.037 56 T CA 1.258 63.230 62.100 -0.213 0.000 1.146 56 T CB -0.296 68.510 68.868 -0.103 0.000 0.865 56 T HN 0.052 nan 8.240 nan 0.000 0.435 57 V N 2.434 122.323 119.914 -0.042 0.000 2.295 57 V HA -0.201 3.919 4.120 0.000 0.000 0.246 57 V C 2.866 179.145 176.094 0.308 0.000 1.049 57 V CA 2.105 64.489 62.300 0.141 0.000 1.024 57 V CB -1.077 30.800 31.823 0.091 0.000 0.648 57 V HN 0.661 nan 8.190 nan 0.000 0.447 58 S N -0.147 115.653 115.700 0.166 0.000 2.368 58 S HA -0.209 4.261 4.470 0.000 0.000 0.225 58 S C 2.065 176.740 174.600 0.125 0.000 1.030 58 S CA 1.703 59.945 58.200 0.070 0.000 0.999 58 S CB -0.684 62.336 63.200 -0.300 0.000 0.844 58 S HN 0.504 nan 8.310 nan 0.000 0.459 59 S N 1.594 117.384 115.700 0.150 0.000 2.368 59 S HA -0.018 4.452 4.470 0.000 0.000 0.225 59 S C 1.395 176.227 174.600 0.386 0.000 1.030 59 S CA 1.369 59.801 58.200 0.386 0.000 0.999 59 S CB -0.675 62.801 63.200 0.461 0.000 0.844 59 S HN 0.614 nan 8.310 nan 0.000 0.459 60 F N 2.488 122.533 119.950 0.158 0.000 2.102 60 F HA -0.087 4.441 4.527 0.000 0.000 0.298 60 F C 1.792 177.687 175.800 0.158 0.000 1.105 60 F CA 1.318 59.396 58.000 0.130 0.000 1.239 60 F CB -0.480 38.578 39.000 0.096 0.000 0.991 60 F HN 0.084 nan 8.300 nan 0.000 0.474 61 L N -0.151 121.140 121.223 0.113 0.000 2.046 61 L HA -0.227 4.113 4.340 0.000 0.000 0.208 61 L C 2.573 179.479 176.870 0.060 0.000 1.077 61 L CA 1.150 56.019 54.840 0.048 0.000 0.747 61 L CB -0.865 41.407 42.059 0.354 0.000 0.896 61 L HN 0.252 nan 8.230 nan 0.000 0.432 62 L N -0.178 121.123 121.223 0.131 0.000 2.042 62 L HA -0.256 4.084 4.340 0.000 0.000 0.210 62 L C 2.640 179.594 176.870 0.138 0.000 1.076 62 L CA 1.541 56.471 54.840 0.150 0.000 0.749 62 L CB -0.409 41.767 42.059 0.195 0.000 0.893 62 L HN 0.230 nan 8.230 nan 0.000 0.432 63 K N -0.678 119.784 120.400 0.103 0.000 2.155 63 K HA -0.117 4.203 4.320 0.000 0.000 0.203 63 K C 2.155 178.702 176.600 -0.088 0.000 1.052 63 K CA 0.651 56.944 56.287 0.009 0.000 0.948 63 K CB 0.073 32.547 32.500 -0.044 0.000 0.728 63 K HN 0.108 nan 8.250 nan 0.000 0.448 64 K N 0.674 120.948 120.400 -0.211 0.000 2.025 64 K HA -0.060 4.260 4.320 0.000 0.000 0.207 64 K C 2.079 178.606 176.600 -0.121 0.000 1.049 64 K CA 0.945 57.086 56.287 -0.243 0.000 0.933 64 K CB -0.294 31.954 32.500 -0.420 0.000 0.714 64 K HN -0.029 nan 8.250 nan 0.000 0.438 65 V N 0.484 120.369 119.914 -0.049 0.000 2.548 65 V HA -0.103 4.017 4.120 0.000 0.000 0.249 65 V C 2.195 178.305 176.094 0.025 0.000 1.055 65 V CA 1.914 64.226 62.300 0.020 0.000 1.065 65 V CB -0.654 31.244 31.823 0.124 0.000 0.681 65 V HN 0.374 nan 8.190 nan 0.000 0.462 66 G N -0.974 107.845 108.800 0.031 0.000 2.848 66 G HA2 0.021 3.981 3.960 0.000 0.000 0.208 66 G HA3 0.021 3.981 3.960 0.000 0.000 0.208 66 G C 0.577 175.487 174.900 0.017 0.000 1.152 66 G CA 0.907 46.034 45.100 0.045 0.000 0.789 66 G HN 0.478 nan 8.290 nan 0.000 0.531 67 S N -0.888 114.806 115.700 -0.010 0.000 2.575 67 S HA 0.321 4.791 4.470 0.000 0.000 0.278 67 S C 0.542 175.121 174.600 -0.035 0.000 1.139 67 S CA -0.752 57.436 58.200 -0.021 0.000 0.954 67 S CB 1.400 64.586 63.200 -0.023 0.000 1.054 67 S HN -0.009 nan 8.310 nan 0.000 0.483 68 L N 5.590 126.791 121.223 -0.035 0.000 2.261 68 L HA 0.132 4.472 4.340 0.000 0.000 0.216 68 L C 1.769 178.613 176.870 -0.043 0.000 1.114 68 L CA 1.664 56.478 54.840 -0.044 0.000 0.777 68 L CB -0.539 41.492 42.059 -0.045 0.000 0.910 68 L HN 0.886 nan 8.230 nan 0.000 0.440 69 I N -0.861 119.690 120.570 -0.033 0.000 2.756 69 I HA -0.066 4.104 4.170 0.000 0.000 0.262 69 I C 1.424 177.521 176.117 -0.033 0.000 1.225 69 I CA 0.745 62.030 61.300 -0.025 0.000 1.472 69 I CB -0.323 37.671 38.000 -0.011 0.000 1.094 69 I HN 0.362 nan 8.210 nan 0.000 0.454 70 G N 1.424 110.190 108.800 -0.056 0.000 3.353 70 G HA2 -0.017 3.943 3.960 0.000 0.000 0.247 70 G HA3 -0.017 3.943 3.960 0.000 0.000 0.247 70 G C 1.004 175.846 174.900 -0.096 0.000 1.025 70 G CA -0.302 44.749 45.100 -0.082 0.000 1.863 70 G HN 0.175 nan 8.290 nan 0.000 0.635 71 K N 0.075 120.430 120.400 -0.075 0.000 2.155 71 K HA -0.004 4.316 4.320 0.000 0.000 0.203 71 K C 1.094 177.632 176.600 -0.103 0.000 1.052 71 K CA 0.450 56.674 56.287 -0.104 0.000 0.948 71 K CB 0.319 32.759 32.500 -0.099 0.000 0.728 71 K HN 0.380 nan 8.250 nan 0.000 0.448 72 R N 0.545 121.031 120.500 -0.024 0.000 2.476 72 R HA 0.313 4.653 4.340 0.000 0.000 0.305 72 R C 0.618 176.988 176.300 0.117 0.000 0.965 72 R CA -0.131 56.005 56.100 0.060 0.000 0.867 72 R CB 0.868 31.261 30.300 0.156 0.000 1.176 72 R HN -0.089 nan 8.270 nan 0.000 0.447 73 I N 3.521 124.171 120.570 0.133 0.000 2.947 73 I HA -0.088 4.082 4.170 0.000 0.000 0.263 73 I C 1.751 178.099 176.117 0.385 0.000 1.130 73 I CA 0.023 61.462 61.300 0.232 0.000 1.448 73 I CB -0.015 38.032 38.000 0.078 0.000 1.222 73 I HN 0.532 nan 8.210 nan 0.000 0.453 74 L N 0.767 122.204 121.223 0.357 0.000 2.064 74 L HA -0.301 4.039 4.340 0.000 0.000 0.216 74 L C 2.666 179.774 176.870 0.396 0.000 1.077 74 L CA 2.103 57.192 54.840 0.415 0.000 0.766 74 L CB -0.615 41.748 42.059 0.507 0.000 0.890 74 L HN 0.222 nan 8.230 nan 0.000 0.435 75 S N -1.167 114.738 115.700 0.342 0.000 2.356 75 S HA -0.210 4.260 4.470 0.000 0.000 0.223 75 S C 1.889 176.664 174.600 0.292 0.000 1.032 75 S CA 1.654 60.013 58.200 0.265 0.000 1.005 75 S CB -0.235 63.078 63.200 0.189 0.000 0.867 75 S HN 0.631 nan 8.310 nan 0.000 0.449 76 E N 0.242 120.606 120.200 0.274 0.000 2.107 76 E HA -0.074 4.276 4.350 0.000 0.000 0.191 76 E C 2.042 178.598 176.600 -0.074 0.000 0.982 76 E CA 0.925 57.421 56.400 0.159 0.000 0.809 76 E CB -0.233 29.627 29.700 0.267 0.000 0.756 76 E HN 0.393 nan 8.360 nan 0.000 0.459 77 L N 0.309 121.538 121.223 0.010 0.000 2.012 77 L HA -0.169 4.171 4.340 0.000 0.000 0.210 77 L C 2.034 178.916 176.870 0.020 0.000 1.073 77 L CA 1.852 56.612 54.840 -0.133 0.000 0.748 77 L CB -0.701 41.495 42.059 0.228 0.000 0.891 77 L HN 0.279 nan 8.230 nan 0.000 0.431 78 W N 0.535 121.870 121.300 0.058 0.000 2.321 78 W HA -0.149 4.511 4.660 0.000 0.000 0.306 78 W C 2.205 178.786 176.519 0.103 0.000 1.217 78 W CA 2.276 59.718 57.345 0.162 0.000 1.257 78 W CB -0.622 28.956 29.460 0.197 0.000 1.145 78 W HN 0.264 nan 8.180 nan 0.000 0.509 79 G N 0.074 109.044 108.800 0.282 0.000 2.509 79 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 79 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 79 G C 1.338 176.162 174.900 -0.127 0.000 1.124 79 G CA 1.158 46.310 45.100 0.087 0.000 0.776 79 G HN 0.395 nan 8.290 nan 0.000 0.547 80 I N -0.569 119.879 120.570 -0.203 0.000 2.512 80 I HA 0.149 4.319 4.170 0.000 0.000 0.247 80 I C 2.224 178.170 176.117 -0.284 0.000 1.094 80 I CA 0.139 61.292 61.300 -0.246 0.000 1.427 80 I CB 0.057 37.852 38.000 -0.342 0.000 1.149 80 I HN 0.063 nan 8.210 nan 0.000 0.438 81 I N 0.028 120.378 120.570 -0.368 0.000 2.761 81 I HA -0.072 4.099 4.170 0.000 0.000 0.261 81 I C 0.226 175.889 176.117 -0.758 0.000 1.198 81 I CA 1.442 62.416 61.300 -0.543 0.000 1.482 81 I CB 0.051 37.672 38.000 -0.631 0.000 1.100 81 I HN -0.034 nan 8.210 nan 0.000 0.445 82 F N 2.983 122.643 119.950 -0.484 0.000 2.523 82 F HA 0.363 4.890 4.527 0.000 0.000 0.322 82 F C -2.122 173.256 175.800 -0.704 0.000 1.361 82 F CA -2.124 55.489 58.000 -0.644 0.000 1.151 82 F CB 0.447 38.825 39.000 -1.036 0.000 1.391 82 F HN -0.063 nan 8.300 nan 0.000 0.566 83 P HA -0.073 nan 4.420 nan 0.000 0.257 83 P C 0.304 177.507 177.300 -0.162 0.000 1.189 83 P CA 0.962 63.946 63.100 -0.194 0.000 0.780 83 P CB 1.016 32.650 31.700 -0.110 0.000 0.772 84 S N 2.877 118.489 115.700 -0.147 0.000 3.521 84 S HA -0.174 4.296 4.470 0.000 0.000 0.328 84 S C 1.249 175.843 174.600 -0.011 0.000 1.165 84 S CA 1.355 59.553 58.200 -0.003 0.000 0.941 84 S CB -1.972 61.245 63.200 0.029 0.000 0.951 84 S HN 1.033 nan 8.310 nan 0.000 0.539 85 G N -0.213 108.423 108.800 -0.273 0.000 2.176 85 G HA2 -0.283 3.677 3.960 0.000 0.000 0.253 85 G HA3 -0.283 3.677 3.960 0.000 0.000 0.253 85 G C 0.072 174.917 174.900 -0.091 0.000 0.979 85 G CA 0.623 45.649 45.100 -0.122 0.000 0.641 85 G HN 1.446 nan 8.290 nan 0.000 0.530 86 S N 0.251 115.910 115.700 -0.067 0.000 2.565 86 S HA 0.536 5.006 4.470 0.000 0.000 0.274 86 S C 1.647 176.310 174.600 0.105 0.000 1.309 86 S CA 1.004 59.207 58.200 0.005 0.000 1.043 86 S CB 0.987 64.184 63.200 -0.004 0.000 0.939 86 S HN 1.091 nan 8.310 nan 0.000 0.504 87 T N 1.603 116.229 114.554 0.119 0.000 3.122 87 T HA 0.057 4.407 4.350 0.000 0.000 0.250 87 T C 1.548 176.307 174.700 0.098 0.000 1.067 87 T CA 0.166 62.390 62.100 0.207 0.000 0.966 87 T CB -0.475 68.498 68.868 0.174 0.000 1.002 87 T HN 0.747 nan 8.240 nan 0.000 0.542 88 N N 2.383 121.113 118.700 0.050 0.000 2.149 88 N HA -0.120 4.620 4.740 0.000 0.000 0.188 88 N C 1.706 177.220 175.510 0.005 0.000 1.019 88 N CA 1.054 54.121 53.050 0.027 0.000 0.857 88 N CB -0.601 37.897 38.487 0.019 0.000 0.997 88 N HN 0.442 nan 8.380 nan 0.000 0.426 89 L N -0.307 120.895 121.223 -0.035 0.000 2.093 89 L HA -0.015 4.325 4.340 0.000 0.000 0.208 89 L C 2.670 179.491 176.870 -0.081 0.000 1.085 89 L CA 0.769 55.569 54.840 -0.068 0.000 0.755 89 L CB -0.317 41.665 42.059 -0.129 0.000 0.904 89 L HN 0.119 nan 8.230 nan 0.000 0.435 90 M N -0.615 118.922 119.600 -0.104 0.000 2.200 90 M HA -0.153 4.327 4.480 0.000 0.000 0.265 90 M C 2.227 178.531 176.300 0.006 0.000 1.066 90 M CA 1.592 56.837 55.300 -0.092 0.000 1.127 90 M CB -0.881 31.664 32.600 -0.092 0.000 1.379 90 M HN 0.309 nan 8.290 nan 0.000 0.420 91 Q N -0.234 119.589 119.800 0.039 0.000 2.124 91 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 91 Q C 1.615 177.651 176.000 0.060 0.000 0.977 91 Q CA 1.805 57.645 55.803 0.061 0.000 0.850 91 Q CB -0.255 28.518 28.738 0.060 0.000 0.901 91 Q HN 0.540 nan 8.270 nan 0.000 0.429 92 D N 0.545 120.974 120.400 0.049 0.000 2.144 92 D HA -0.114 4.526 4.640 0.000 0.000 0.200 92 D C 1.695 178.048 176.300 0.089 0.000 0.978 92 D CA 0.724 54.765 54.000 0.068 0.000 0.833 92 D CB 0.003 40.837 40.800 0.056 0.000 0.961 92 D HN 0.161 nan 8.370 nan 0.000 0.470 93 I N 0.018 120.624 120.570 0.061 0.000 2.163 93 I HA -0.212 3.958 4.170 0.000 0.000 0.243 93 I C 2.276 178.471 176.117 0.130 0.000 1.085 93 I CA 0.604 61.951 61.300 0.079 0.000 1.347 93 I CB -0.266 37.741 38.000 0.011 0.000 1.044 93 I HN 0.207 nan 8.210 nan 0.000 0.408 94 L N 0.745 122.033 121.223 0.107 0.000 2.017 94 L HA -0.183 4.157 4.340 0.000 0.000 0.208 94 L C 2.562 179.506 176.870 0.123 0.000 1.073 94 L CA 1.839 56.752 54.840 0.123 0.000 0.745 94 L CB -0.600 41.525 42.059 0.110 0.000 0.894 94 L HN 0.061 nan 8.230 nan 0.000 0.432 95 R N 0.300 120.866 120.500 0.111 0.000 2.092 95 R HA -0.052 4.288 4.340 0.000 0.000 0.231 95 R C 2.162 178.542 176.300 0.134 0.000 1.119 95 R CA 1.402 57.564 56.100 0.105 0.000 0.970 95 R CB -0.849 29.506 30.300 0.091 0.000 0.864 95 R HN 0.592 nan 8.270 nan 0.000 0.440 96 E N -0.259 120.054 120.200 0.190 0.000 2.208 96 E HA -0.051 4.300 4.350 0.000 0.000 0.193 96 E C 1.443 178.203 176.600 0.267 0.000 0.988 96 E CA 1.112 57.679 56.400 0.278 0.000 0.828 96 E CB 0.042 29.957 29.700 0.358 0.000 0.763 96 E HN 0.277 nan 8.360 nan 0.000 0.478 97 T N 1.189 115.896 114.554 0.256 0.000 2.857 97 T HA -0.104 4.246 4.350 0.000 0.000 0.266 97 T C 1.649 176.413 174.700 0.106 0.000 1.048 97 T CA 0.879 63.099 62.100 0.200 0.000 1.139 97 T CB -0.069 68.950 68.868 0.252 0.000 0.874 97 T HN 0.193 nan 8.240 nan 0.000 0.455 98 E N 0.930 121.188 120.200 0.098 0.000 2.077 98 E HA -0.199 4.151 4.350 0.000 0.000 0.193 98 E C 2.347 178.944 176.600 -0.005 0.000 0.989 98 E CA 1.016 57.449 56.400 0.056 0.000 0.800 98 E CB -0.107 29.625 29.700 0.054 0.000 0.746 98 E HN 0.503 nan 8.360 nan 0.000 0.452 99 Q N -0.075 119.703 119.800 -0.036 0.000 2.079 99 Q HA -0.181 4.159 4.340 0.000 0.000 0.200 99 Q C 1.955 177.794 176.000 -0.269 0.000 0.974 99 Q CA 1.154 56.848 55.803 -0.180 0.000 0.840 99 Q CB -0.117 28.451 28.738 -0.282 0.000 0.898 99 Q HN 0.227 nan 8.270 nan 0.000 0.430 100 F N 0.513 120.251 119.950 -0.353 0.000 2.102 100 F HA -0.122 4.406 4.527 0.000 0.000 0.298 100 F C 1.480 177.157 175.800 -0.205 0.000 1.105 100 F CA 1.351 59.149 58.000 -0.337 0.000 1.239 100 F CB 0.012 38.697 39.000 -0.525 0.000 0.991 100 F HN 0.055 nan 8.300 nan 0.000 0.474 101 L N -0.102 121.027 121.223 -0.157 0.000 2.509 101 L HA -0.012 4.328 4.340 0.000 0.000 0.222 101 L C 0.728 177.524 176.870 -0.123 0.000 1.123 101 L CA 0.749 55.506 54.840 -0.138 0.000 0.856 101 L CB -0.662 41.429 42.059 0.055 0.000 0.985 101 L HN 0.289 nan 8.230 nan 0.000 0.456 102 N N 1.228 119.860 118.700 -0.114 0.000 2.754 102 N HA -0.210 4.530 4.740 0.000 0.000 0.248 102 N C -0.414 175.078 175.510 -0.029 0.000 1.093 102 N CA 0.708 53.708 53.050 -0.082 0.000 0.699 102 N CB -0.846 37.580 38.487 -0.102 0.000 1.016 102 N HN 0.503 nan 8.380 nan 0.000 0.552 103 Q N 0.026 119.831 119.800 0.007 0.000 2.394 103 Q HA 0.575 4.915 4.340 0.000 0.000 0.273 103 Q C -0.437 175.609 176.000 0.076 0.000 1.089 103 Q CA -0.801 55.036 55.803 0.056 0.000 0.812 103 Q CB 2.168 30.960 28.738 0.091 0.000 1.353 103 Q HN 0.132 nan 8.270 nan 0.000 0.438 104 R N 1.408 121.968 120.500 0.100 0.000 2.744 104 R HA 0.522 4.862 4.340 0.000 0.000 0.279 104 R C -0.800 175.557 176.300 0.095 0.000 0.977 104 R CA -0.807 55.340 56.100 0.078 0.000 0.906 104 R CB 1.758 32.086 30.300 0.048 0.000 1.197 104 R HN 0.536 nan 8.270 nan 0.000 0.463 105 L N 2.451 123.645 121.223 -0.047 0.000 2.453 105 L HA 0.163 4.503 4.340 0.000 0.000 0.261 105 L C 0.798 177.548 176.870 -0.200 0.000 1.179 105 L CA -0.653 53.976 54.840 -0.350 0.000 0.813 105 L CB 0.387 42.214 42.059 -0.387 0.000 1.110 105 L HN 0.672 nan 8.230 nan 0.000 0.466 106 N N -0.839 117.707 118.700 -0.256 0.000 2.381 106 N HA -0.012 4.728 4.740 0.000 0.000 0.254 106 N C 0.578 176.036 175.510 -0.086 0.000 1.264 106 N CA -0.331 52.690 53.050 -0.049 0.000 0.942 106 N CB 0.306 38.832 38.487 0.065 0.000 1.190 106 N HN 0.554 nan 8.380 nan 0.000 0.495 107 T N -0.932 113.602 114.554 -0.034 0.000 2.759 107 T HA -0.144 4.206 4.350 0.000 0.000 0.269 107 T C 0.661 175.334 174.700 -0.045 0.000 1.042 107 T CA 1.552 63.632 62.100 -0.034 0.000 1.140 107 T CB -0.422 68.438 68.868 -0.013 0.000 0.864 107 T HN 0.461 nan 8.240 nan 0.000 0.455 108 D N 0.343 120.719 120.400 -0.039 0.000 2.097 108 D HA -0.043 4.597 4.640 0.000 0.000 0.197 108 D C 2.366 178.625 176.300 -0.069 0.000 0.984 108 D CA 1.447 55.424 54.000 -0.039 0.000 0.826 108 D CB -0.724 40.067 40.800 -0.015 0.000 0.973 108 D HN 0.383 nan 8.370 nan 0.000 0.460 109 T N 1.358 115.843 114.554 -0.115 0.000 2.777 109 T HA -0.124 4.226 4.350 0.000 0.000 0.266 109 T C 1.932 176.544 174.700 -0.147 0.000 1.040 109 T CA 0.505 62.506 62.100 -0.165 0.000 1.141 109 T CB -0.356 68.309 68.868 -0.339 0.000 0.868 109 T HN 0.025 nan 8.240 nan 0.000 0.444 110 L N 1.799 122.938 121.223 -0.139 0.000 1.990 110 L HA -0.074 4.266 4.340 0.000 0.000 0.213 110 L C 2.636 179.475 176.870 -0.051 0.000 1.072 110 L CA 2.191 56.981 54.840 -0.084 0.000 0.755 110 L CB -1.173 40.848 42.059 -0.063 0.000 0.889 110 L HN 0.233 nan 8.230 nan 0.000 0.432 111 A N -0.576 122.215 122.820 -0.049 0.000 1.883 111 A HA -0.276 4.044 4.320 0.000 0.000 0.217 111 A C 2.453 180.009 177.584 -0.045 0.000 1.186 111 A CA 2.016 54.031 52.037 -0.036 0.000 0.624 111 A CB -0.692 18.288 19.000 -0.032 0.000 0.822 111 A HN 0.497 nan 8.150 nan 0.000 0.444 112 R N -0.181 120.279 120.500 -0.067 0.000 2.081 112 R HA -0.064 4.276 4.340 0.000 0.000 0.235 112 R C 1.892 178.121 176.300 -0.118 0.000 1.131 112 R CA 1.969 58.015 56.100 -0.090 0.000 0.960 112 R CB -1.259 28.978 30.300 -0.104 0.000 0.856 112 R HN 0.253 nan 8.270 nan 0.000 0.436 113 V N 1.579 121.420 119.914 -0.121 0.000 2.287 113 V HA -0.290 3.830 4.120 0.000 0.000 0.248 113 V C 1.947 178.050 176.094 0.016 0.000 1.053 113 V CA 2.226 64.459 62.300 -0.113 0.000 1.027 113 V CB -0.636 31.178 31.823 -0.014 0.000 0.646 113 V HN 0.416 nan 8.190 nan 0.000 0.447 114 N N 0.177 118.891 118.700 0.024 0.000 2.149 114 N HA -0.135 4.605 4.740 0.000 0.000 0.188 114 N C 1.828 177.360 175.510 0.037 0.000 1.019 114 N CA 1.661 54.742 53.050 0.051 0.000 0.857 114 N CB -0.362 38.142 38.487 0.029 0.000 0.997 114 N HN 0.518 nan 8.380 nan 0.000 0.426 115 A N 1.279 124.098 122.820 -0.002 0.000 1.930 115 A HA -0.078 4.242 4.320 0.000 0.000 0.217 115 A C 2.023 179.603 177.584 -0.008 0.000 1.175 115 A CA 1.044 53.073 52.037 -0.014 0.000 0.627 115 A CB -0.172 18.807 19.000 -0.035 0.000 0.815 115 A HN 0.107 nan 8.150 nan 0.000 0.443 116 E N 0.159 120.348 120.200 -0.017 0.000 2.150 116 E HA -0.087 4.263 4.350 0.000 0.000 0.193 116 E C 2.000 178.706 176.600 0.178 0.000 0.985 116 E CA 0.649 57.055 56.400 0.011 0.000 0.814 116 E CB -0.374 29.216 29.700 -0.184 0.000 0.752 116 E HN 0.673 nan 8.360 nan 0.000 0.466 117 L N 0.279 121.643 121.223 0.234 0.000 2.056 117 L HA -0.117 4.224 4.340 0.000 0.000 0.207 117 L C 2.477 179.395 176.870 0.081 0.000 1.078 117 L CA 0.784 55.794 54.840 0.283 0.000 0.749 117 L CB -0.318 41.913 42.059 0.287 0.000 0.901 117 L HN 0.092 nan 8.230 nan 0.000 0.433 118 I N -0.334 120.252 120.570 0.027 0.000 2.252 118 I HA -0.196 3.974 4.170 0.000 0.000 0.245 118 I C 2.588 178.651 176.117 -0.090 0.000 1.102 118 I CA 1.446 62.716 61.300 -0.051 0.000 1.385 118 I CB -0.714 37.272 38.000 -0.023 0.000 1.064 118 I HN 0.253 nan 8.210 nan 0.000 0.414 119 G N 0.732 109.500 108.800 -0.054 0.000 2.402 119 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 119 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 119 G C 1.611 176.446 174.900 -0.109 0.000 1.162 119 G CA 0.340 45.394 45.100 -0.076 0.000 0.777 119 G HN 0.174 nan 8.290 nan 0.000 0.539 120 L N 0.436 121.619 121.223 -0.067 0.000 1.989 120 L HA -0.099 4.241 4.340 0.000 0.000 0.211 120 L C 2.828 179.591 176.870 -0.179 0.000 1.071 120 L CA 2.237 57.037 54.840 -0.066 0.000 0.749 120 L CB -0.690 41.456 42.059 0.144 0.000 0.890 120 L HN 0.279 nan 8.230 nan 0.000 0.431 121 Q N -0.325 119.189 119.800 -0.476 0.000 2.077 121 Q HA -0.235 4.105 4.340 0.000 0.000 0.206 121 Q C 2.049 178.007 176.000 -0.071 0.000 0.989 121 Q CA 2.349 57.728 55.803 -0.706 0.000 0.853 121 Q CB -0.290 27.745 28.738 -1.173 0.000 0.907 121 Q HN 0.590 nan 8.270 nan 0.000 0.418 122 A N 1.118 123.864 122.820 -0.123 0.000 1.858 122 A HA -0.214 4.106 4.320 0.000 0.000 0.216 122 A C 1.929 179.441 177.584 -0.120 0.000 1.190 122 A CA 1.662 53.651 52.037 -0.080 0.000 0.617 122 A CB -0.963 17.986 19.000 -0.084 0.000 0.827 122 A HN 0.682 nan 8.150 nan 0.000 0.443 123 N N -0.212 118.395 118.700 -0.155 0.000 2.104 123 N HA -0.144 4.596 4.740 0.000 0.000 0.190 123 N C 1.670 177.053 175.510 -0.212 0.000 1.024 123 N CA 1.558 54.486 53.050 -0.204 0.000 0.853 123 N CB -0.358 37.955 38.487 -0.289 0.000 1.008 123 N HN 0.510 nan 8.380 nan 0.000 0.424 124 I N 0.850 121.302 120.570 -0.196 0.000 2.252 124 I HA -0.227 3.943 4.170 0.000 0.000 0.245 124 I C 2.667 178.642 176.117 -0.237 0.000 1.102 124 I CA 0.811 62.037 61.300 -0.123 0.000 1.385 124 I CB -0.211 37.861 38.000 0.120 0.000 1.064 124 I HN 0.159 nan 8.210 nan 0.000 0.414 125 R N 1.361 121.593 120.500 -0.445 0.000 2.081 125 R HA -0.192 4.148 4.340 0.000 0.000 0.235 125 R C 2.055 178.120 176.300 -0.392 0.000 1.131 125 R CA 1.650 57.304 56.100 -0.743 0.000 0.960 125 R CB -0.095 29.795 30.300 -0.682 0.000 0.856 125 R HN 0.378 nan 8.270 nan 0.000 0.436 126 E N -0.284 119.774 120.200 -0.237 0.000 2.085 126 E HA -0.225 4.125 4.350 0.000 0.000 0.194 126 E C 1.696 178.206 176.600 -0.149 0.000 0.994 126 E CA 1.590 57.889 56.400 -0.169 0.000 0.801 126 E CB -0.270 29.357 29.700 -0.122 0.000 0.743 126 E HN 0.312 nan 8.360 nan 0.000 0.453 127 F N 2.374 122.187 119.950 -0.227 0.000 2.075 127 F HA -0.200 4.327 4.527 0.000 0.000 0.297 127 F C 1.847 177.530 175.800 -0.195 0.000 1.113 127 F CA 1.461 59.349 58.000 -0.187 0.000 1.218 127 F CB -0.235 38.674 39.000 -0.151 0.000 0.984 127 F HN -0.082 nan 8.300 nan 0.000 0.472 128 N N 0.466 118.982 118.700 -0.305 0.000 2.166 128 N HA -0.190 4.550 4.740 0.000 0.000 0.186 128 N C 1.847 177.120 175.510 -0.393 0.000 1.019 128 N CA 1.528 54.349 53.050 -0.382 0.000 0.856 128 N CB -0.532 37.849 38.487 -0.177 0.000 0.993 128 N HN 0.556 nan 8.380 nan 0.000 0.426 129 Q N 0.628 120.227 119.800 -0.335 0.000 2.119 129 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 129 Q C 1.979 177.822 176.000 -0.261 0.000 0.972 129 Q CA 1.024 56.669 55.803 -0.262 0.000 0.847 129 Q CB -0.023 28.581 28.738 -0.222 0.000 0.903 129 Q HN 0.452 nan 8.270 nan 0.000 0.433 130 Q N -0.415 119.195 119.800 -0.316 0.000 2.084 130 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 130 Q C 2.159 177.946 176.000 -0.355 0.000 0.978 130 Q CA 1.330 56.960 55.803 -0.289 0.000 0.844 130 Q CB 0.085 28.648 28.738 -0.291 0.000 0.898 130 Q HN 0.196 nan 8.270 nan 0.000 0.426 131 V N 1.394 120.940 119.914 -0.612 0.000 2.261 131 V HA -0.280 3.840 4.120 0.000 0.000 0.246 131 V C 1.548 177.438 176.094 -0.341 0.000 1.047 131 V CA 2.085 63.964 62.300 -0.702 0.000 1.015 131 V CB -0.492 30.660 31.823 -1.119 0.000 0.642 131 V HN 0.373 nan 8.190 nan 0.000 0.446 132 D N -0.173 120.063 120.400 -0.273 0.000 2.097 132 D HA -0.189 4.451 4.640 0.000 0.000 0.195 132 D C 2.083 178.327 176.300 -0.094 0.000 0.989 132 D CA 1.505 55.422 54.000 -0.139 0.000 0.827 132 D CB -0.643 40.085 40.800 -0.121 0.000 0.966 132 D HN 0.482 nan 8.370 nan 0.000 0.456 133 N N -0.332 118.305 118.700 -0.104 0.000 2.104 133 N HA -0.185 4.555 4.740 0.000 0.000 0.190 133 N C 1.908 177.389 175.510 -0.048 0.000 1.024 133 N CA 0.625 53.631 53.050 -0.074 0.000 0.853 133 N CB -0.170 38.271 38.487 -0.077 0.000 1.008 133 N HN 0.080 nan 8.380 nan 0.000 0.424 134 F N 1.822 121.667 119.950 -0.175 0.000 2.102 134 F HA -0.072 4.455 4.527 0.000 0.000 0.298 134 F C 2.087 177.818 175.800 -0.114 0.000 1.105 134 F CA 1.159 59.069 58.000 -0.151 0.000 1.239 134 F CB -0.321 38.558 39.000 -0.201 0.000 0.991 134 F HN -0.009 nan 8.300 nan 0.000 0.474 135 L N -0.494 120.702 121.223 -0.046 0.000 2.217 135 L HA -0.127 4.213 4.340 0.000 0.000 0.211 135 L C 0.519 177.307 176.870 -0.136 0.000 1.107 135 L CA 1.138 55.922 54.840 -0.093 0.000 0.783 135 L CB -0.480 41.605 42.059 0.043 0.000 0.919 135 L HN 0.254 nan 8.230 nan 0.000 0.442 136 N N -0.237 118.393 118.700 -0.117 0.000 2.710 136 N HA 0.214 4.954 4.740 0.000 0.000 0.244 136 N C -2.637 172.815 175.510 -0.097 0.000 1.321 136 N CA -1.392 51.599 53.050 -0.098 0.000 0.758 136 N CB 1.411 39.863 38.487 -0.058 0.000 1.284 136 N HN -0.210 nan 8.380 nan 0.000 0.530 137 P HA -0.032 nan 4.420 nan 0.000 0.259 137 P C -0.126 177.132 177.300 -0.069 0.000 1.163 137 P CA 0.757 63.798 63.100 -0.098 0.000 0.760 137 P CB 0.591 32.225 31.700 -0.110 0.000 0.762 138 T N -0.959 113.560 114.554 -0.059 0.000 3.515 138 T HA 0.221 4.571 4.350 0.000 0.000 0.306 138 T C 0.206 174.880 174.700 -0.044 0.000 0.881 138 T CA -0.317 61.755 62.100 -0.048 0.000 0.930 138 T CB -0.060 68.781 68.868 -0.044 0.000 1.206 138 T HN 0.311 nan 8.240 nan 0.000 0.662 139 Q N 0.094 119.866 119.800 -0.046 0.000 2.503 139 Q HA 0.400 4.740 4.340 0.000 0.000 0.420 139 Q C -1.057 174.920 176.000 -0.039 0.000 0.543 139 Q CA -1.102 54.676 55.803 -0.042 0.000 0.981 139 Q CB 0.356 29.066 28.738 -0.047 0.000 0.963 139 Q HN 0.057 nan 8.270 nan 0.000 0.385 140 N N 2.311 120.989 118.700 -0.038 0.000 2.283 140 N HA -0.062 4.678 4.740 0.000 0.000 0.236 140 N C -1.778 173.716 175.510 -0.026 0.000 1.252 140 N CA -0.128 52.904 53.050 -0.031 0.000 0.856 140 N CB 0.116 38.584 38.487 -0.033 0.000 1.099 140 N HN 0.328 nan 8.380 nan 0.000 0.444 141 P HA -0.164 nan 4.420 nan 0.000 0.212 141 P C -0.295 177.012 177.300 0.011 0.000 1.178 141 P CA 1.190 64.283 63.100 -0.011 0.000 0.915 141 P CB 0.097 31.794 31.700 -0.006 0.000 0.788 142 V N 0.060 119.987 119.914 0.022 0.000 5.842 142 V HA -0.133 3.987 4.120 0.000 0.000 0.251 142 V C -1.398 174.785 176.094 0.148 0.000 0.667 142 V CA -0.167 62.167 62.300 0.056 0.000 0.844 142 V CB -2.444 29.410 31.823 0.051 0.000 0.924 142 V HN 0.342 nan 8.190 nan 0.000 0.443 143 P HA 0.079 nan 4.420 nan 0.000 0.335 143 P C 1.034 178.512 177.300 0.297 0.000 1.416 143 P CA -0.079 63.123 63.100 0.170 0.000 0.828 143 P CB 0.570 32.321 31.700 0.085 0.000 1.966 144 L N 0.031 121.380 121.223 0.210 0.000 2.869 144 L HA 0.012 4.352 4.340 0.000 0.000 0.259 144 L C 1.770 178.558 176.870 -0.137 0.000 1.162 144 L CA 1.025 55.922 54.840 0.095 0.000 0.975 144 L CB -2.108 40.002 42.059 0.084 0.000 1.217 144 L HN 0.112 nan 8.230 nan 0.000 0.418 145 S N -0.868 114.763 115.700 -0.114 0.000 2.653 145 S HA 0.005 4.475 4.470 0.000 0.000 0.233 145 S C 1.997 176.448 174.600 -0.249 0.000 0.970 145 S CA 0.235 58.355 58.200 -0.132 0.000 0.947 145 S CB -0.213 62.950 63.200 -0.061 0.000 0.771 145 S HN 0.456 nan 8.310 nan 0.000 0.538 146 I N 1.279 121.541 120.570 -0.513 0.000 2.142 146 I HA -0.191 3.979 4.170 0.000 0.000 0.240 146 I C 2.464 178.473 176.117 -0.180 0.000 1.078 146 I CA 1.201 62.199 61.300 -0.504 0.000 1.343 146 I CB -0.794 36.735 38.000 -0.784 0.000 1.046 146 I HN 0.259 nan 8.210 nan 0.000 0.405 147 T N -0.229 114.240 114.554 -0.141 0.000 2.759 147 T HA -0.203 4.147 4.350 0.000 0.000 0.269 147 T C 2.055 176.773 174.700 0.029 0.000 1.042 147 T CA 1.897 63.984 62.100 -0.022 0.000 1.140 147 T CB -0.223 68.632 68.868 -0.020 0.000 0.864 147 T HN 0.342 nan 8.240 nan 0.000 0.455 148 S N 0.497 116.192 115.700 -0.009 0.000 2.387 148 S HA -0.073 4.398 4.470 0.000 0.000 0.226 148 S C 2.276 176.909 174.600 0.055 0.000 1.026 148 S CA 1.429 59.641 58.200 0.021 0.000 0.972 148 S CB -0.327 62.868 63.200 -0.008 0.000 0.814 148 S HN 0.431 nan 8.310 nan 0.000 0.477 149 S N 0.633 116.365 115.700 0.053 0.000 2.406 149 S HA 0.019 4.489 4.470 0.000 0.000 0.228 149 S C 1.823 176.629 174.600 0.342 0.000 1.020 149 S CA 1.012 59.301 58.200 0.149 0.000 0.965 149 S CB -0.265 62.965 63.200 0.050 0.000 0.798 149 S HN 0.410 nan 8.310 nan 0.000 0.488 150 V N 2.961 123.092 119.914 0.363 0.000 2.307 150 V HA -0.146 3.974 4.120 0.000 0.000 0.245 150 V C 2.074 178.394 176.094 0.377 0.000 1.045 150 V CA 1.532 64.094 62.300 0.438 0.000 1.024 150 V CB -0.744 31.239 31.823 0.267 0.000 0.651 150 V HN 0.402 nan 8.190 nan 0.000 0.449 151 N N 0.113 118.970 118.700 0.262 0.000 2.166 151 N HA -0.133 4.607 4.740 0.000 0.000 0.186 151 N C 1.882 177.480 175.510 0.146 0.000 1.019 151 N CA 1.919 55.112 53.050 0.238 0.000 0.856 151 N CB -0.621 37.967 38.487 0.168 0.000 0.993 151 N HN 0.467 nan 8.380 nan 0.000 0.426 152 T N 0.796 115.403 114.554 0.087 0.000 2.770 152 T HA -0.082 4.268 4.350 0.000 0.000 0.263 152 T C 1.916 176.562 174.700 -0.090 0.000 1.039 152 T CA 0.970 63.073 62.100 0.006 0.000 1.142 152 T CB -0.188 68.680 68.868 0.000 0.000 0.868 152 T HN 0.107 nan 8.240 nan 0.000 0.435 153 M N 1.656 121.166 119.600 -0.150 0.000 2.117 153 M HA -0.094 4.386 4.480 0.000 0.000 0.262 153 M C 2.266 178.248 176.300 -0.530 0.000 1.065 153 M CA 1.659 56.662 55.300 -0.494 0.000 1.114 153 M CB -0.589 31.507 32.600 -0.840 0.000 1.361 153 M HN 0.127 nan 8.290 nan 0.000 0.408 154 Q N -0.116 119.576 119.800 -0.179 0.000 2.061 154 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 154 Q C 2.101 178.079 176.000 -0.037 0.000 0.984 154 Q CA 2.436 58.294 55.803 0.091 0.000 0.846 154 Q CB -0.606 28.416 28.738 0.474 0.000 0.902 154 Q HN 0.643 nan 8.270 nan 0.000 0.421 155 Q N -0.282 119.502 119.800 -0.027 0.000 2.119 155 Q HA -0.025 4.315 4.340 0.000 0.000 0.201 155 Q C 1.935 177.867 176.000 -0.112 0.000 0.972 155 Q CA 1.516 57.293 55.803 -0.043 0.000 0.847 155 Q CB -0.276 28.457 28.738 -0.009 0.000 0.903 155 Q HN 0.582 nan 8.270 nan 0.000 0.433 156 L N -0.931 120.176 121.223 -0.194 0.000 2.093 156 L HA -0.113 4.227 4.340 0.000 0.000 0.208 156 L C 2.047 178.753 176.870 -0.273 0.000 1.085 156 L CA 0.988 55.678 54.840 -0.250 0.000 0.755 156 L CB -0.408 41.446 42.059 -0.343 0.000 0.904 156 L HN 0.254 nan 8.230 nan 0.000 0.435 157 F N -0.098 119.614 119.950 -0.398 0.000 2.134 157 F HA -0.233 4.294 4.527 0.000 0.000 0.299 157 F C 2.310 177.849 175.800 -0.435 0.000 1.097 157 F CA 0.901 58.577 58.000 -0.541 0.000 1.264 157 F CB -0.088 38.263 39.000 -1.081 0.000 1.001 157 F HN -0.035 nan 8.300 nan 0.000 0.479 158 L N -0.287 120.832 121.223 -0.173 0.000 2.131 158 L HA -0.232 4.108 4.340 0.000 0.000 0.210 158 L C 1.743 178.600 176.870 -0.021 0.000 1.092 158 L CA 0.859 55.655 54.840 -0.073 0.000 0.759 158 L CB -0.635 41.402 42.059 -0.037 0.000 0.903 158 L HN 0.164 nan 8.230 nan 0.000 0.435 159 N N -0.094 118.578 118.700 -0.047 0.000 2.376 159 N HA -0.051 4.689 4.740 0.000 0.000 0.177 159 N C 1.868 177.358 175.510 -0.033 0.000 1.024 159 N CA 0.826 53.852 53.050 -0.039 0.000 0.893 159 N CB 0.026 38.479 38.487 -0.057 0.000 0.980 159 N HN 0.332 nan 8.380 nan 0.000 0.439 160 R N 0.110 120.600 120.500 -0.017 0.000 2.105 160 R HA 0.239 4.579 4.340 0.000 0.000 0.214 160 R C 2.029 178.398 176.300 0.115 0.000 1.091 160 R CA 0.126 56.239 56.100 0.023 0.000 1.007 160 R CB -0.270 30.067 30.300 0.063 0.000 0.912 160 R HN 0.107 nan 8.270 nan 0.000 0.450 161 L N 1.182 122.513 121.223 0.179 0.000 2.021 161 L HA -0.161 4.179 4.340 0.000 0.000 0.215 161 L C -0.571 176.474 176.870 0.290 0.000 1.074 161 L CA 2.030 57.051 54.840 0.301 0.000 0.760 161 L CB -1.931 40.195 42.059 0.112 0.000 0.889 161 L HN 0.062 nan 8.230 nan 0.000 0.433 162 P HA -0.181 nan 4.420 nan 0.000 0.218 162 P C 1.434 178.709 177.300 -0.042 0.000 1.146 162 P CA 1.054 64.160 63.100 0.011 0.000 0.813 162 P CB -0.043 31.652 31.700 -0.007 0.000 0.778 163 Q N -2.066 117.654 119.800 -0.133 0.000 2.500 163 Q HA 0.007 4.347 4.340 0.000 0.000 0.213 163 Q C 0.867 176.609 176.000 -0.431 0.000 0.974 163 Q CA 0.958 56.572 55.803 -0.315 0.000 0.918 163 Q CB -0.529 27.931 28.738 -0.464 0.000 0.980 163 Q HN 0.444 nan 8.270 nan 0.000 0.505 164 F N -0.324 119.682 119.950 0.093 0.000 2.647 164 F HA 0.197 4.724 4.527 0.000 0.000 0.300 164 F C 0.951 176.822 175.800 0.118 0.000 1.106 164 F CA -0.019 58.072 58.000 0.150 0.000 1.313 164 F CB 0.675 39.825 39.000 0.249 0.000 1.007 164 F HN -0.029 nan 8.300 nan 0.000 0.536 165 Q N 0.631 120.490 119.800 0.098 0.000 2.115 165 Q HA 0.226 4.566 4.340 0.000 0.000 0.249 165 Q C -0.196 175.848 176.000 0.073 0.000 0.830 165 Q CA -0.289 55.515 55.803 0.002 0.000 1.104 165 Q CB 1.162 29.658 28.738 -0.403 0.000 1.207 165 Q HN 0.140 nan 8.270 nan 0.000 0.464 166 I N 2.072 122.711 120.570 0.115 0.000 2.742 166 I HA -0.070 4.100 4.170 0.000 0.000 0.287 166 I C 0.838 177.062 176.117 0.179 0.000 1.186 166 I CA 0.614 62.002 61.300 0.146 0.000 1.417 166 I CB -0.213 37.907 38.000 0.200 0.000 1.377 166 I HN 0.282 nan 8.210 nan 0.000 0.556 167 Q N 3.703 123.563 119.800 0.100 0.000 2.315 167 Q HA 0.275 4.615 4.340 0.000 0.000 0.289 167 Q C 1.171 177.134 176.000 -0.061 0.000 1.044 167 Q CA 1.572 57.398 55.803 0.038 0.000 0.920 167 Q CB 0.472 29.220 28.738 0.017 0.000 1.214 167 Q HN 0.948 nan 8.270 nan 0.000 0.392 168 G N 2.174 110.871 108.800 -0.171 0.000 2.258 168 G HA2 -0.294 3.666 3.960 0.000 0.000 0.233 168 G HA3 -0.294 3.666 3.960 0.000 0.000 0.233 168 G C 0.016 174.510 174.900 -0.677 0.000 1.006 168 G CA 0.260 45.063 45.100 -0.495 0.000 0.620 168 G HN 0.674 nan 8.290 nan 0.000 0.511 169 Y N 0.867 121.203 120.300 0.060 0.000 2.742 169 Y HA 0.373 4.923 4.550 0.000 0.000 0.248 169 Y C 2.015 177.979 175.900 0.107 0.000 1.132 169 Y CA 0.113 58.259 58.100 0.077 0.000 1.142 169 Y CB 0.102 38.607 38.460 0.074 0.000 1.222 169 Y HN 0.274 nan 8.280 nan 0.000 0.575 170 Q N 0.273 120.190 119.800 0.194 0.000 2.096 170 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 170 Q C 1.910 178.018 176.000 0.179 0.000 0.982 170 Q CA 1.822 57.745 55.803 0.201 0.000 0.850 170 Q CB -0.036 28.791 28.738 0.147 0.000 0.901 170 Q HN 0.554 nan 8.270 nan 0.000 0.422 171 L N 0.577 121.893 121.223 0.154 0.000 2.072 171 L HA -0.125 4.215 4.340 0.000 0.000 0.205 171 L C 2.080 179.078 176.870 0.213 0.000 1.079 171 L CA 1.082 56.030 54.840 0.179 0.000 0.752 171 L CB -0.444 41.735 42.059 0.200 0.000 0.906 171 L HN 0.180 nan 8.230 nan 0.000 0.436 172 L N -0.743 120.614 121.223 0.222 0.000 2.131 172 L HA -0.138 4.202 4.340 0.000 0.000 0.210 172 L C 1.962 178.967 176.870 0.226 0.000 1.092 172 L CA 1.833 56.807 54.840 0.223 0.000 0.759 172 L CB -0.525 41.677 42.059 0.237 0.000 0.903 172 L HN 0.296 nan 8.230 nan 0.000 0.435 173 L N -1.711 119.664 121.223 0.253 0.000 2.567 173 L HA -0.008 4.332 4.340 0.000 0.000 0.225 173 L C 2.087 179.136 176.870 0.298 0.000 1.119 173 L CA -0.306 54.703 54.840 0.281 0.000 0.871 173 L CB -0.240 42.012 42.059 0.323 0.000 1.036 173 L HN 0.241 nan 8.230 nan 0.000 0.459 174 L N 1.361 122.742 121.223 0.263 0.000 2.043 174 L HA -0.146 4.194 4.340 0.000 0.000 0.212 174 L C -0.410 176.582 176.870 0.202 0.000 1.075 174 L CA 2.352 57.346 54.840 0.257 0.000 0.752 174 L CB -1.231 40.920 42.059 0.153 0.000 0.891 174 L HN 0.105 nan 8.230 nan 0.000 0.432 175 P HA -0.168 nan 4.420 nan 0.000 0.215 175 P C 2.130 179.429 177.300 -0.002 0.000 1.153 175 P CA 1.416 64.555 63.100 0.065 0.000 0.853 175 P CB -0.002 31.762 31.700 0.108 0.000 0.788 176 L N -2.403 118.835 121.223 0.024 0.000 2.046 176 L HA -0.168 4.172 4.340 0.000 0.000 0.208 176 L C 2.411 179.105 176.870 -0.293 0.000 1.077 176 L CA 1.431 56.185 54.840 -0.144 0.000 0.747 176 L CB -0.931 41.110 42.059 -0.029 0.000 0.896 176 L HN -0.037 nan 8.230 nan 0.000 0.432 177 F N 1.055 120.920 119.950 -0.141 0.000 2.171 177 F HA -0.221 4.306 4.527 0.000 0.000 0.300 177 F C 2.416 178.138 175.800 -0.130 0.000 1.090 177 F CA 1.193 59.125 58.000 -0.113 0.000 1.293 177 F CB -0.258 38.821 39.000 0.131 0.000 1.013 177 F HN -0.006 nan 8.300 nan 0.000 0.486 178 A N 0.139 122.894 122.820 -0.110 0.000 1.902 178 A HA -0.212 4.108 4.320 0.000 0.000 0.217 178 A C 2.166 179.559 177.584 -0.319 0.000 1.181 178 A CA 1.677 53.659 52.037 -0.092 0.000 0.623 178 A CB -0.786 18.218 19.000 0.008 0.000 0.818 178 A HN 0.489 nan 8.150 nan 0.000 0.443 179 Q N -0.522 119.027 119.800 -0.417 0.000 2.084 179 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 179 Q C 2.422 178.164 176.000 -0.430 0.000 0.978 179 Q CA 1.709 57.222 55.803 -0.482 0.000 0.844 179 Q CB -0.765 27.710 28.738 -0.439 0.000 0.898 179 Q HN 0.665 nan 8.270 nan 0.000 0.426 180 A N 0.840 123.343 122.820 -0.529 0.000 1.930 180 A HA -0.018 4.302 4.320 0.000 0.000 0.217 180 A C 2.307 179.562 177.584 -0.547 0.000 1.175 180 A CA 1.686 53.440 52.037 -0.472 0.000 0.627 180 A CB -0.564 18.080 19.000 -0.592 0.000 0.815 180 A HN 0.350 nan 8.150 nan 0.000 0.443 181 A N 0.249 122.563 122.820 -0.845 0.000 1.933 181 A HA -0.181 4.139 4.320 0.000 0.000 0.218 181 A C 1.919 179.127 177.584 -0.627 0.000 1.175 181 A CA 1.737 53.178 52.037 -0.994 0.000 0.628 181 A CB -0.601 17.609 19.000 -1.317 0.000 0.814 181 A HN 0.518 nan 8.150 nan 0.000 0.444 182 N N -0.148 118.361 118.700 -0.320 0.000 2.104 182 N HA -0.149 4.591 4.740 0.000 0.000 0.190 182 N C 1.745 177.245 175.510 -0.017 0.000 1.024 182 N CA 1.880 54.907 53.050 -0.040 0.000 0.853 182 N CB -0.448 38.001 38.487 -0.063 0.000 1.008 182 N HN 0.584 nan 8.380 nan 0.000 0.424 183 M N -0.688 118.864 119.600 -0.080 0.000 2.086 183 M HA -0.150 4.330 4.480 0.000 0.000 0.261 183 M C 2.147 178.322 176.300 -0.209 0.000 1.067 183 M CA 1.347 56.679 55.300 0.053 0.000 1.116 183 M CB -0.526 32.222 32.600 0.247 0.000 1.348 183 M HN 0.329 nan 8.290 nan 0.000 0.407 184 H N 0.525 119.065 119.070 -0.884 0.000 2.326 184 H HA -0.087 4.469 4.556 0.000 0.000 0.301 184 H C 2.041 177.112 175.328 -0.427 0.000 1.081 184 H CA 1.209 56.445 56.048 -1.354 0.000 1.334 184 H CB 0.209 29.282 29.762 -1.148 0.000 1.385 184 H HN 0.276 nan 8.280 nan 0.000 0.504 185 L N -0.064 120.990 121.223 -0.282 0.000 2.093 185 L HA -0.147 4.194 4.340 0.000 0.000 0.208 185 L C 2.717 179.685 176.870 0.162 0.000 1.085 185 L CA 0.864 55.634 54.840 -0.117 0.000 0.755 185 L CB -0.239 41.684 42.059 -0.226 0.000 0.904 185 L HN 0.240 nan 8.230 nan 0.000 0.435 186 S N -0.139 115.690 115.700 0.215 0.000 2.383 186 S HA -0.181 4.289 4.470 0.000 0.000 0.227 186 S C 1.754 176.436 174.600 0.136 0.000 1.026 186 S CA 1.245 59.526 58.200 0.135 0.000 0.981 186 S CB -0.356 62.976 63.200 0.220 0.000 0.818 186 S HN 0.413 nan 8.310 nan 0.000 0.472 187 F N 2.529 122.521 119.950 0.070 0.000 2.102 187 F HA -0.099 4.428 4.527 0.000 0.000 0.298 187 F C 1.808 177.700 175.800 0.153 0.000 1.105 187 F CA 1.231 59.319 58.000 0.147 0.000 1.239 187 F CB -0.552 38.571 39.000 0.204 0.000 0.991 187 F HN 0.103 nan 8.300 nan 0.000 0.474 188 I N 0.345 120.849 120.570 -0.109 0.000 2.163 188 I HA -0.306 3.864 4.170 0.000 0.000 0.243 188 I C 2.762 178.849 176.117 -0.049 0.000 1.085 188 I CA 1.699 62.957 61.300 -0.070 0.000 1.347 188 I CB -0.598 37.416 38.000 0.024 0.000 1.044 188 I HN 0.147 nan 8.210 nan 0.000 0.408 189 R N 0.852 121.324 120.500 -0.046 0.000 2.096 189 R HA -0.199 4.141 4.340 0.000 0.000 0.235 189 R C 1.828 178.022 176.300 -0.178 0.000 1.127 189 R CA 1.869 57.910 56.100 -0.099 0.000 0.968 189 R CB -0.155 30.015 30.300 -0.216 0.000 0.861 189 R HN 0.304 nan 8.270 nan 0.000 0.440 190 D N -0.165 120.135 120.400 -0.167 0.000 2.097 190 D HA -0.135 4.505 4.640 0.000 0.000 0.195 190 D C 1.924 177.944 176.300 -0.468 0.000 0.989 190 D CA 1.196 55.067 54.000 -0.214 0.000 0.827 190 D CB -0.194 40.663 40.800 0.094 0.000 0.966 190 D HN 0.059 nan 8.370 nan 0.000 0.456 191 V N 1.142 120.834 119.914 -0.371 0.000 2.332 191 V HA -0.239 3.881 4.120 0.000 0.000 0.248 191 V C 2.486 178.349 176.094 -0.386 0.000 1.055 191 V CA 1.199 63.252 62.300 -0.411 0.000 1.038 191 V CB -0.377 31.073 31.823 -0.621 0.000 0.651 191 V HN 0.205 nan 8.190 nan 0.000 0.450 192 I N -0.458 119.958 120.570 -0.256 0.000 2.113 192 I HA -0.248 3.922 4.170 0.000 0.000 0.238 192 I C 2.207 178.188 176.117 -0.227 0.000 1.070 192 I CA 1.715 62.911 61.300 -0.173 0.000 1.332 192 I CB -0.345 37.610 38.000 -0.076 0.000 1.044 192 I HN 0.230 nan 8.210 nan 0.000 0.402 193 L N 0.378 121.441 121.223 -0.265 0.000 2.465 193 L HA -0.080 4.260 4.340 0.000 0.000 0.224 193 L C 1.121 177.778 176.870 -0.355 0.000 1.145 193 L CA 0.825 55.508 54.840 -0.262 0.000 0.834 193 L CB -0.438 41.485 42.059 -0.227 0.000 0.944 193 L HN 0.368 nan 8.230 nan 0.000 0.451 194 N N -0.479 117.871 118.700 -0.583 0.000 2.235 194 N HA 0.188 4.928 4.740 0.000 0.000 0.231 194 N C 1.513 176.613 175.510 -0.684 0.000 1.177 194 N CA 0.522 53.075 53.050 -0.829 0.000 0.874 194 N CB 0.936 38.398 38.487 -1.707 0.000 1.097 194 N HN 0.128 nan 8.380 nan 0.000 0.518 195 A N 1.822 124.406 122.820 -0.394 0.000 1.859 195 A HA -0.228 4.092 4.320 0.000 0.000 0.218 195 A C 1.765 179.293 177.584 -0.093 0.000 1.209 195 A CA 1.759 53.674 52.037 -0.202 0.000 0.639 195 A CB -0.384 18.529 19.000 -0.145 0.000 0.835 195 A HN 0.097 nan 8.150 nan 0.000 0.450 196 D N -0.528 119.820 120.400 -0.086 0.000 2.097 196 D HA -0.113 4.528 4.640 0.000 0.000 0.195 196 D C 1.915 178.232 176.300 0.028 0.000 0.989 196 D CA 1.659 55.647 54.000 -0.021 0.000 0.827 196 D CB -0.526 40.258 40.800 -0.027 0.000 0.966 196 D HN 0.560 nan 8.370 nan 0.000 0.456 197 E N -0.439 119.758 120.200 -0.004 0.000 2.160 197 E HA -0.146 4.204 4.350 0.000 0.000 0.195 197 E C 1.479 178.289 176.600 0.350 0.000 0.991 197 E CA 0.701 57.167 56.400 0.110 0.000 0.810 197 E CB -0.209 29.514 29.700 0.038 0.000 0.742 197 E HN 0.425 nan 8.360 nan 0.000 0.466 198 W N -0.421 120.885 121.300 0.010 0.000 3.278 198 W HA 0.416 5.076 4.660 0.000 0.000 0.308 198 W C 1.037 177.524 176.519 -0.054 0.000 1.253 198 W CA 0.523 57.856 57.345 -0.019 0.000 1.759 198 W CB -0.185 29.232 29.460 -0.073 0.000 1.093 198 W HN 0.172 nan 8.180 nan 0.000 0.648 199 G N 0.961 109.877 108.800 0.194 0.000 2.147 199 G HA2 -0.272 3.688 3.960 0.000 0.000 0.244 199 G HA3 -0.272 3.688 3.960 0.000 0.000 0.244 199 G C 0.099 175.032 174.900 0.055 0.000 1.005 199 G CA -0.424 44.742 45.100 0.110 0.000 0.713 199 G HN 0.000 nan 8.290 nan 0.000 0.515 200 I N 1.960 122.563 120.570 0.055 0.000 2.648 200 I HA 0.244 4.414 4.170 0.000 0.000 0.284 200 I C 1.573 177.690 176.117 0.000 0.000 1.153 200 I CA 0.191 61.497 61.300 0.011 0.000 1.426 200 I CB 0.674 38.657 38.000 -0.027 0.000 1.381 200 I HN 0.507 nan 8.210 nan 0.000 0.571 201 S N 5.044 120.743 115.700 -0.000 0.000 2.600 201 S HA 0.358 4.828 4.470 0.000 0.000 0.265 201 S C 1.195 175.793 174.600 -0.003 0.000 1.325 201 S CA -0.069 58.133 58.200 0.004 0.000 1.002 201 S CB 1.292 64.498 63.200 0.011 0.000 0.921 201 S HN 0.709 nan 8.310 nan 0.000 0.554 202 A N 1.711 124.531 122.820 -0.001 0.000 1.933 202 A HA 0.189 4.509 4.320 0.000 0.000 0.218 202 A C 2.392 179.974 177.584 -0.004 0.000 1.175 202 A CA 1.661 53.695 52.037 -0.005 0.000 0.628 202 A CB -1.654 17.345 19.000 -0.002 0.000 0.814 202 A HN 1.347 nan 8.150 nan 0.000 0.444 203 A N -1.045 121.775 122.820 0.001 0.000 1.902 203 A HA -0.072 4.248 4.320 0.000 0.000 0.217 203 A C 2.296 179.884 177.584 0.006 0.000 1.181 203 A CA 2.243 54.280 52.037 0.001 0.000 0.623 203 A CB -1.175 17.829 19.000 0.006 0.000 0.818 203 A HN 0.413 nan 8.150 nan 0.000 0.443 204 T N 0.095 114.661 114.554 0.020 0.000 2.777 204 T HA -0.103 4.247 4.350 0.000 0.000 0.266 204 T C 1.835 176.576 174.700 0.068 0.000 1.040 204 T CA 1.395 63.529 62.100 0.057 0.000 1.141 204 T CB -0.345 68.539 68.868 0.027 0.000 0.868 204 T HN 0.332 nan 8.240 nan 0.000 0.444 205 L N 1.734 122.962 121.223 0.009 0.000 1.989 205 L HA -0.014 4.326 4.340 0.000 0.000 0.211 205 L C 2.426 179.306 176.870 0.016 0.000 1.071 205 L CA 1.858 56.699 54.840 0.001 0.000 0.749 205 L CB -0.692 41.352 42.059 -0.025 0.000 0.890 205 L HN -0.009 nan 8.230 nan 0.000 0.431 206 R N -0.622 119.873 120.500 -0.009 0.000 2.091 206 R HA -0.133 4.207 4.340 0.000 0.000 0.238 206 R C 2.153 178.405 176.300 -0.079 0.000 1.136 206 R CA 2.300 58.382 56.100 -0.030 0.000 0.959 206 R CB -1.163 29.119 30.300 -0.031 0.000 0.856 206 R HN 0.482 nan 8.270 nan 0.000 0.437 207 T N -0.171 114.314 114.554 -0.115 0.000 2.708 207 T HA -0.140 4.210 4.350 0.000 0.000 0.266 207 T C 1.308 175.677 174.700 -0.552 0.000 1.037 207 T CA 1.651 63.555 62.100 -0.327 0.000 1.146 207 T CB -0.427 68.237 68.868 -0.339 0.000 0.865 207 T HN 0.226 nan 8.240 nan 0.000 0.435 208 Y N 1.471 121.540 120.300 -0.386 0.000 2.421 208 Y HA 0.023 4.573 4.550 0.000 0.000 0.292 208 Y C 2.527 178.380 175.900 -0.078 0.000 1.136 208 Y CA 0.545 58.508 58.100 -0.229 0.000 1.255 208 Y CB -0.220 38.175 38.460 -0.109 0.000 0.991 208 Y HN 0.100 nan 8.280 nan 0.000 0.552 209 R N -0.239 120.274 120.500 0.021 0.000 2.075 209 R HA -0.142 4.198 4.340 0.000 0.000 0.232 209 R C 1.512 177.783 176.300 -0.049 0.000 1.126 209 R CA 1.529 57.664 56.100 0.059 0.000 0.963 209 R CB -0.247 30.089 30.300 0.060 0.000 0.858 209 R HN 0.290 nan 8.270 nan 0.000 0.435 210 D N -0.071 120.249 120.400 -0.133 0.000 2.178 210 D HA -0.141 4.499 4.640 0.000 0.000 0.202 210 D C 1.752 177.986 176.300 -0.109 0.000 0.974 210 D CA 1.133 55.021 54.000 -0.186 0.000 0.841 210 D CB -0.235 40.464 40.800 -0.169 0.000 0.953 210 D HN 0.350 nan 8.370 nan 0.000 0.478 211 Y N 0.235 120.421 120.300 -0.191 0.000 2.128 211 Y HA -0.219 4.331 4.550 0.000 0.000 0.284 211 Y C 2.434 178.287 175.900 -0.079 0.000 1.154 211 Y CA -0.002 58.034 58.100 -0.108 0.000 1.149 211 Y CB -0.118 38.211 38.460 -0.218 0.000 0.976 211 Y HN -0.026 nan 8.280 nan 0.000 0.505 212 L N 0.837 122.109 121.223 0.082 0.000 2.012 212 L HA -0.250 4.090 4.340 0.000 0.000 0.210 212 L C 2.529 179.351 176.870 -0.081 0.000 1.073 212 L CA 1.748 56.631 54.840 0.072 0.000 0.748 212 L CB -0.709 41.499 42.059 0.248 0.000 0.891 212 L HN 0.063 nan 8.230 nan 0.000 0.431 213 R N -0.813 119.397 120.500 -0.484 0.000 2.062 213 R HA -0.149 4.191 4.340 0.000 0.000 0.231 213 R C 2.053 178.122 176.300 -0.384 0.000 1.136 213 R CA 1.677 57.320 56.100 -0.763 0.000 0.948 213 R CB -0.313 29.191 30.300 -1.325 0.000 0.845 213 R HN 0.449 nan 8.270 nan 0.000 0.430 214 N N 0.036 118.513 118.700 -0.372 0.000 2.120 214 N HA -0.179 4.561 4.740 0.000 0.000 0.188 214 N C 1.664 176.868 175.510 -0.510 0.000 1.024 214 N CA 1.431 54.237 53.050 -0.406 0.000 0.852 214 N CB -0.528 37.690 38.487 -0.449 0.000 1.003 214 N HN 0.357 nan 8.380 nan 0.000 0.424 215 Y N 0.957 121.001 120.300 -0.427 0.000 2.314 215 Y HA -0.038 4.512 4.550 0.000 0.000 0.293 215 Y C 2.523 177.995 175.900 -0.713 0.000 1.129 215 Y CA 0.954 58.597 58.100 -0.762 0.000 1.201 215 Y CB -0.332 37.587 38.460 -0.902 0.000 0.999 215 Y HN 0.015 nan 8.280 nan 0.000 0.541 216 T N 0.161 114.574 114.554 -0.235 0.000 2.746 216 T HA -0.205 4.145 4.350 0.000 0.000 0.267 216 T C 2.074 176.805 174.700 0.051 0.000 1.039 216 T CA 1.329 63.400 62.100 -0.049 0.000 1.142 216 T CB -0.185 68.742 68.868 0.099 0.000 0.866 216 T HN 0.276 nan 8.240 nan 0.000 0.444 217 R N 1.266 121.739 120.500 -0.045 0.000 2.070 217 R HA -0.142 4.198 4.340 0.000 0.000 0.232 217 R C 1.709 178.033 176.300 0.040 0.000 1.138 217 R CA 2.086 58.184 56.100 -0.003 0.000 0.936 217 R CB -0.648 29.594 30.300 -0.096 0.000 0.839 217 R HN 0.281 nan 8.270 nan 0.000 0.429 218 D N 0.008 120.363 120.400 -0.074 0.000 2.092 218 D HA -0.189 4.451 4.640 0.000 0.000 0.193 218 D C 2.022 178.511 176.300 0.315 0.000 0.994 218 D CA 1.647 55.666 54.000 0.030 0.000 0.828 218 D CB -0.718 40.013 40.800 -0.116 0.000 0.963 218 D HN 0.464 nan 8.370 nan 0.000 0.450 219 Y N 0.895 121.339 120.300 0.241 0.000 2.242 219 Y HA -0.128 4.422 4.550 0.000 0.000 0.291 219 Y C 2.834 179.081 175.900 0.577 0.000 1.137 219 Y CA 0.485 58.830 58.100 0.408 0.000 1.181 219 Y CB -0.037 38.452 38.460 0.048 0.000 0.989 219 Y HN -0.101 nan 8.280 nan 0.000 0.527 220 S N 0.395 116.482 115.700 0.645 0.000 2.348 220 S HA -0.175 4.295 4.470 0.000 0.000 0.221 220 S C 1.666 176.514 174.600 0.413 0.000 1.033 220 S CA 1.309 59.858 58.200 0.580 0.000 1.010 220 S CB -0.372 63.101 63.200 0.455 0.000 0.891 220 S HN 0.462 nan 8.310 nan 0.000 0.442 221 N N 0.640 119.535 118.700 0.325 0.000 2.104 221 N HA -0.114 4.626 4.740 0.000 0.000 0.190 221 N C 1.485 177.140 175.510 0.242 0.000 1.024 221 N CA 1.165 54.359 53.050 0.241 0.000 0.853 221 N CB -0.640 37.954 38.487 0.178 0.000 1.008 221 N HN 0.510 nan 8.380 nan 0.000 0.424 222 Y N 1.288 121.707 120.300 0.199 0.000 2.165 222 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 222 Y C 2.404 178.383 175.900 0.132 0.000 1.155 222 Y CA 1.217 59.390 58.100 0.122 0.000 1.164 222 Y CB -0.608 37.887 38.460 0.057 0.000 0.978 222 Y HN 0.056 nan 8.280 nan 0.000 0.513 223 C N 0.212 119.619 119.300 0.178 0.000 2.453 223 C HA -0.150 4.310 4.460 0.000 0.000 0.277 223 C C 2.774 177.843 174.990 0.131 0.000 1.262 223 C CA 1.241 60.299 59.018 0.068 0.000 1.718 223 C CB -1.357 26.468 27.740 0.142 0.000 2.031 223 C HN 0.620 nan 8.230 nan 0.000 0.480 224 I N 1.588 122.291 120.570 0.222 0.000 2.179 224 I HA -0.209 3.961 4.170 0.000 0.000 0.242 224 I C 2.197 178.295 176.117 -0.031 0.000 1.088 224 I CA 1.493 62.846 61.300 0.087 0.000 1.357 224 I CB -0.617 37.445 38.000 0.104 0.000 1.051 224 I HN 0.394 nan 8.210 nan 0.000 0.409 225 N N 0.420 119.114 118.700 -0.009 0.000 2.120 225 N HA -0.139 4.601 4.740 0.000 0.000 0.188 225 N C 1.865 177.334 175.510 -0.070 0.000 1.024 225 N CA 1.837 54.867 53.050 -0.033 0.000 0.852 225 N CB -0.776 37.703 38.487 -0.012 0.000 1.003 225 N HN 0.315 nan 8.380 nan 0.000 0.424 226 T N 0.363 114.815 114.554 -0.169 0.000 2.708 226 T HA -0.169 4.181 4.350 0.000 0.000 0.266 226 T C 1.748 176.471 174.700 0.039 0.000 1.037 226 T CA 1.104 63.110 62.100 -0.157 0.000 1.146 226 T CB -0.469 68.178 68.868 -0.369 0.000 0.865 226 T HN 0.315 nan 8.240 nan 0.000 0.435 227 Y N 1.655 121.950 120.300 -0.007 0.000 2.163 227 Y HA -0.112 4.438 4.550 0.000 0.000 0.288 227 Y C 2.619 178.566 175.900 0.077 0.000 1.136 227 Y CA 1.294 59.456 58.100 0.103 0.000 1.147 227 Y CB -0.365 38.201 38.460 0.177 0.000 0.987 227 Y HN 0.193 nan 8.280 nan 0.000 0.509 228 Q N -0.764 118.989 119.800 -0.077 0.000 2.084 228 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 228 Q C 2.117 178.113 176.000 -0.008 0.000 0.978 228 Q CA 2.185 57.934 55.803 -0.090 0.000 0.844 228 Q CB -0.285 28.424 28.738 -0.049 0.000 0.898 228 Q HN 0.462 nan 8.270 nan 0.000 0.426 229 T N 0.791 115.341 114.554 -0.007 0.000 2.746 229 T HA -0.168 4.182 4.350 0.000 0.000 0.267 229 T C 1.848 176.540 174.700 -0.012 0.000 1.039 229 T CA 1.323 63.424 62.100 0.001 0.000 1.142 229 T CB -0.239 68.626 68.868 -0.005 0.000 0.866 229 T HN 0.400 nan 8.240 nan 0.000 0.444 230 A N 0.641 123.457 122.820 -0.007 0.000 1.898 230 A HA 0.036 4.356 4.320 0.000 0.000 0.216 230 A C 2.004 179.506 177.584 -0.138 0.000 1.181 230 A CA 1.083 53.106 52.037 -0.024 0.000 0.620 230 A CB -0.951 18.134 19.000 0.140 0.000 0.819 230 A HN 0.471 nan 8.150 nan 0.000 0.442 231 F N 0.678 120.457 119.950 -0.285 0.000 2.171 231 F HA -0.135 4.392 4.527 0.000 0.000 0.300 231 F C 2.376 178.064 175.800 -0.187 0.000 1.090 231 F CA 1.614 59.423 58.000 -0.318 0.000 1.293 231 F CB -0.077 38.685 39.000 -0.397 0.000 1.013 231 F HN 0.111 nan 8.300 nan 0.000 0.486 232 R N -0.598 119.914 120.500 0.020 0.000 2.189 232 R HA -0.050 4.290 4.340 0.000 0.000 0.223 232 R C 2.135 178.378 176.300 -0.096 0.000 1.092 232 R CA 0.909 57.013 56.100 0.006 0.000 0.989 232 R CB -0.782 29.547 30.300 0.050 0.000 0.876 232 R HN 0.379 nan 8.270 nan 0.000 0.457 233 G N 0.223 108.929 108.800 -0.156 0.000 3.042 233 G HA2 0.103 4.063 3.960 0.000 0.000 0.212 233 G HA3 0.103 4.063 3.960 0.000 0.000 0.212 233 G C 0.421 175.173 174.900 -0.245 0.000 1.166 233 G CA -0.336 44.664 45.100 -0.166 0.000 0.767 233 G HN 0.028 nan 8.290 nan 0.000 0.546 234 L N 0.866 121.867 121.223 -0.369 0.000 2.397 234 L HA 0.335 4.675 4.340 0.000 0.000 0.271 234 L C -0.126 176.579 176.870 -0.274 0.000 1.148 234 L CA -0.474 54.106 54.840 -0.432 0.000 0.825 234 L CB 1.091 42.718 42.059 -0.720 0.000 1.117 234 L HN 0.036 nan 8.230 nan 0.000 0.456 235 N N 1.095 119.667 118.700 -0.214 0.000 2.827 235 N HA 0.222 4.962 4.740 0.000 0.000 0.240 235 N C -1.188 174.259 175.510 -0.105 0.000 1.352 235 N CA -0.094 52.881 53.050 -0.126 0.000 0.760 235 N CB 1.181 39.604 38.487 -0.106 0.000 1.426 235 N HN 0.627 nan 8.380 nan 0.000 0.561 236 T N 0.038 114.555 114.554 -0.062 0.000 2.787 236 T HA 0.517 4.867 4.350 0.000 0.000 0.297 236 T C -0.667 174.085 174.700 0.087 0.000 1.221 236 T CA -0.546 61.541 62.100 -0.022 0.000 1.006 236 T CB 1.231 70.066 68.868 -0.056 0.000 1.328 236 T HN 0.285 nan 8.240 nan 0.000 0.509 237 R N 1.165 121.727 120.500 0.104 0.000 2.738 237 R HA 0.197 4.537 4.340 0.000 0.000 0.268 237 R C 1.215 177.716 176.300 0.335 0.000 1.062 237 R CA -0.461 55.761 56.100 0.203 0.000 1.158 237 R CB 0.147 30.532 30.300 0.141 0.000 1.046 237 R HN 0.483 nan 8.270 nan 0.000 0.493 238 L N 1.686 123.200 121.223 0.484 0.000 1.990 238 L HA -0.276 4.064 4.340 0.000 0.000 0.213 238 L C 2.356 179.401 176.870 0.293 0.000 1.072 238 L CA 2.261 57.326 54.840 0.376 0.000 0.755 238 L CB -0.982 41.289 42.059 0.352 0.000 0.889 238 L HN 0.715 nan 8.230 nan 0.000 0.432 239 H N -0.628 118.569 119.070 0.212 0.000 2.321 239 H HA -0.204 4.352 4.556 0.000 0.000 0.295 239 H C 1.850 177.316 175.328 0.229 0.000 1.102 239 H CA 2.448 58.617 56.048 0.202 0.000 1.266 239 H CB -0.217 29.636 29.762 0.152 0.000 1.363 239 H HN 0.461 nan 8.280 nan 0.000 0.492 240 D N -0.240 120.246 120.400 0.143 0.000 2.144 240 D HA -0.145 4.496 4.640 0.000 0.000 0.200 240 D C 2.364 178.740 176.300 0.128 0.000 0.978 240 D CA 1.159 55.217 54.000 0.096 0.000 0.833 240 D CB -0.353 40.506 40.800 0.098 0.000 0.961 240 D HN 0.509 nan 8.370 nan 0.000 0.470 241 M N 0.251 119.924 119.600 0.121 0.000 2.086 241 M HA -0.129 4.351 4.480 0.000 0.000 0.261 241 M C 1.933 178.346 176.300 0.188 0.000 1.067 241 M CA 1.254 56.610 55.300 0.093 0.000 1.116 241 M CB 0.033 32.660 32.600 0.045 0.000 1.348 241 M HN -0.062 nan 8.290 nan 0.000 0.407 242 L N -0.162 121.169 121.223 0.180 0.000 2.046 242 L HA -0.185 4.155 4.340 0.000 0.000 0.208 242 L C 2.366 179.387 176.870 0.251 0.000 1.077 242 L CA 1.351 56.326 54.840 0.224 0.000 0.747 242 L CB -0.952 41.269 42.059 0.270 0.000 0.896 242 L HN 0.393 nan 8.230 nan 0.000 0.432 243 E N -0.254 120.080 120.200 0.224 0.000 2.150 243 E HA -0.226 4.124 4.350 0.000 0.000 0.193 243 E C 2.056 178.991 176.600 0.558 0.000 0.985 243 E CA 1.104 57.702 56.400 0.329 0.000 0.814 243 E CB -0.146 29.739 29.700 0.308 0.000 0.752 243 E HN 0.378 nan 8.360 nan 0.000 0.466 244 F N 2.294 122.524 119.950 0.466 0.000 2.134 244 F HA -0.188 4.339 4.527 0.000 0.000 0.299 244 F C 2.503 178.643 175.800 0.567 0.000 1.097 244 F CA 1.679 60.027 58.000 0.579 0.000 1.264 244 F CB -0.063 39.141 39.000 0.339 0.000 1.001 244 F HN -0.201 nan 8.300 nan 0.000 0.479 245 R N -0.429 120.380 120.500 0.516 0.000 2.066 245 R HA -0.129 4.211 4.340 0.000 0.000 0.232 245 R C 2.102 178.562 176.300 0.266 0.000 1.131 245 R CA 2.051 58.408 56.100 0.429 0.000 0.955 245 R CB -0.783 29.678 30.300 0.268 0.000 0.851 245 R HN 0.250 nan 8.270 nan 0.000 0.432 246 T N 0.259 114.911 114.554 0.164 0.000 2.684 246 T HA -0.223 4.127 4.350 0.000 0.000 0.267 246 T C 1.395 176.098 174.700 0.005 0.000 1.036 246 T CA 1.742 63.856 62.100 0.023 0.000 1.148 246 T CB -0.519 68.352 68.868 0.006 0.000 0.863 246 T HN 0.379 nan 8.240 nan 0.000 0.436 247 Y N 1.187 121.422 120.300 -0.109 0.000 2.081 247 Y HA -0.207 4.343 4.550 0.000 0.000 0.280 247 Y C 2.368 178.156 175.900 -0.186 0.000 1.163 247 Y CA 1.481 59.407 58.100 -0.290 0.000 1.135 247 Y CB -0.190 37.805 38.460 -0.775 0.000 0.970 247 Y HN 0.071 nan 8.280 nan 0.000 0.498 248 M N -1.588 118.066 119.600 0.090 0.000 2.254 248 M HA -0.158 4.322 4.480 0.000 0.000 0.265 248 M C 1.973 178.247 176.300 -0.044 0.000 1.066 248 M CA 1.317 56.627 55.300 0.015 0.000 1.123 248 M CB -1.313 31.311 32.600 0.039 0.000 1.388 248 M HN 0.302 nan 8.290 nan 0.000 0.425 249 F N 0.554 120.452 119.950 -0.087 0.000 2.206 249 F HA -0.088 4.439 4.527 0.000 0.000 0.298 249 F C 2.224 177.864 175.800 -0.266 0.000 1.090 249 F CA 1.096 59.052 58.000 -0.074 0.000 1.323 249 F CB -0.519 38.421 39.000 -0.099 0.000 1.028 249 F HN 0.028 nan 8.300 nan 0.000 0.492 250 L N -0.777 120.338 121.223 -0.181 0.000 2.131 250 L HA -0.138 4.202 4.340 0.000 0.000 0.206 250 L C 2.026 178.640 176.870 -0.427 0.000 1.087 250 L CA 0.904 55.534 54.840 -0.349 0.000 0.767 250 L CB -0.446 41.400 42.059 -0.355 0.000 0.917 250 L HN 0.111 nan 8.230 nan 0.000 0.441 251 N N -1.116 117.363 118.700 -0.368 0.000 2.415 251 N HA -0.016 4.724 4.740 0.000 0.000 0.176 251 N C 1.315 176.756 175.510 -0.115 0.000 1.042 251 N CA 0.909 53.817 53.050 -0.236 0.000 0.902 251 N CB 1.075 39.396 38.487 -0.276 0.000 0.986 251 N HN 0.150 nan 8.380 nan 0.000 0.447 252 V N -1.033 118.671 119.914 -0.350 0.000 3.177 252 V HA 0.118 4.239 4.120 0.000 0.000 0.219 252 V C 1.091 176.679 176.094 -0.844 0.000 1.344 252 V CA 0.123 62.110 62.300 -0.522 0.000 1.324 252 V CB -0.251 31.073 31.823 -0.833 0.000 1.165 252 V HN -0.057 nan 8.190 nan 0.000 0.510 253 F N 0.705 120.300 119.950 -0.592 0.000 2.502 253 F HA 0.057 4.584 4.527 0.000 0.000 0.298 253 F C 2.399 177.807 175.800 -0.652 0.000 1.111 253 F CA 0.806 58.367 58.000 -0.731 0.000 1.445 253 F CB -0.004 38.275 39.000 -1.203 0.000 1.081 253 F HN 0.116 nan 8.300 nan 0.000 0.558 254 E N -0.127 119.731 120.200 -0.570 0.000 2.106 254 E HA -0.184 4.166 4.350 0.000 0.000 0.192 254 E C 1.980 178.190 176.600 -0.650 0.000 0.984 254 E CA 1.337 57.401 56.400 -0.560 0.000 0.806 254 E CB -0.385 28.903 29.700 -0.687 0.000 0.750 254 E HN 0.529 nan 8.360 nan 0.000 0.458 255 Y N -0.159 119.797 120.300 -0.572 0.000 2.184 255 Y HA -0.141 4.409 4.550 0.000 0.000 0.290 255 Y C 2.540 177.470 175.900 -1.617 0.000 1.129 255 Y CA 0.459 58.032 58.100 -0.877 0.000 1.144 255 Y CB -0.371 37.660 38.460 -0.714 0.000 0.995 255 Y HN -0.164 nan 8.280 nan 0.000 0.513 256 V N -0.724 118.403 119.914 -1.312 0.000 2.392 256 V HA -0.311 3.809 4.120 0.000 0.000 0.249 256 V C 2.154 177.937 176.094 -0.518 0.000 1.059 256 V CA 2.202 63.852 62.300 -1.082 0.000 1.051 256 V CB -0.769 30.807 31.823 -0.413 0.000 0.658 256 V HN 0.343 nan 8.190 nan 0.000 0.455 257 S N -0.669 114.788 115.700 -0.405 0.000 2.423 257 S HA -0.055 4.416 4.470 0.000 0.000 0.231 257 S C 1.778 176.243 174.600 -0.226 0.000 1.014 257 S CA 1.217 59.269 58.200 -0.247 0.000 0.965 257 S CB -0.182 62.892 63.200 -0.209 0.000 0.785 257 S HN 0.501 nan 8.310 nan 0.000 0.495 258 I N 0.329 120.714 120.570 -0.307 0.000 3.035 258 I HA 0.096 4.266 4.170 0.000 0.000 0.271 258 I C 1.320 177.284 176.117 -0.255 0.000 1.190 258 I CA 0.327 61.519 61.300 -0.180 0.000 1.472 258 I CB -0.250 37.707 38.000 -0.072 0.000 1.116 258 I HN 0.260 nan 8.210 nan 0.000 0.443 259 W N 0.940 121.956 121.300 -0.474 0.000 2.335 259 W HA -0.173 4.487 4.660 0.000 0.000 0.311 259 W C 2.761 179.119 176.519 -0.269 0.000 1.213 259 W CA 1.425 58.363 57.345 -0.679 0.000 1.274 259 W CB -2.039 27.222 29.460 -0.332 0.000 1.148 259 W HN 0.375 nan 8.180 nan 0.000 0.498 260 S N -0.365 115.434 115.700 0.164 0.000 2.603 260 S HA 0.039 4.509 4.470 0.000 0.000 0.229 260 S C 1.458 176.149 174.600 0.152 0.000 0.972 260 S CA 0.587 58.925 58.200 0.231 0.000 0.935 260 S CB -0.698 62.660 63.200 0.263 0.000 0.769 260 S HN 0.257 nan 8.310 nan 0.000 0.536 261 L N -0.904 120.396 121.223 0.130 0.000 2.766 261 L HA 0.419 4.759 4.340 0.000 0.000 0.242 261 L C 1.481 178.536 176.870 0.310 0.000 1.136 261 L CA -0.044 54.930 54.840 0.223 0.000 0.933 261 L CB -0.187 41.962 42.059 0.149 0.000 1.241 261 L HN 0.290 nan 8.230 nan 0.000 0.522 262 F N 1.959 121.963 119.950 0.089 0.000 2.269 262 F HA -0.220 4.308 4.527 0.000 0.000 0.301 262 F C 2.464 178.215 175.800 -0.081 0.000 1.082 262 F CA 0.705 58.733 58.000 0.047 0.000 1.360 262 F CB 0.119 39.178 39.000 0.098 0.000 1.041 262 F HN 0.226 nan 8.300 nan 0.000 0.512 263 K N 0.070 120.436 120.400 -0.056 0.000 2.515 263 K HA -0.133 4.187 4.320 0.000 0.000 0.196 263 K C -0.436 175.815 176.600 -0.582 0.000 1.038 263 K CA 0.819 56.810 56.287 -0.493 0.000 0.967 263 K CB -0.326 31.529 32.500 -1.076 0.000 0.780 263 K HN 0.224 nan 8.250 nan 0.000 0.483 264 Y N 1.173 121.399 120.300 -0.124 0.000 2.528 264 Y HA 0.326 4.876 4.550 0.000 0.000 0.335 264 Y C 0.064 175.908 175.900 -0.093 0.000 1.093 264 Y CA -1.091 56.923 58.100 -0.143 0.000 1.134 264 Y CB 1.934 40.297 38.460 -0.161 0.000 1.253 264 Y HN -0.088 nan 8.280 nan 0.000 0.478 265 Q N 0.145 119.997 119.800 0.086 0.000 2.394 265 Q HA 0.359 4.699 4.340 0.000 0.000 0.273 265 Q C -0.538 175.467 176.000 0.009 0.000 1.089 265 Q CA -0.914 54.897 55.803 0.013 0.000 0.812 265 Q CB 2.163 30.881 28.738 -0.033 0.000 1.353 265 Q HN 0.771 nan 8.270 nan 0.000 0.438 266 S N 1.265 116.961 115.700 -0.007 0.000 3.711 266 S HA -0.176 4.294 4.470 0.000 0.000 0.374 266 S C -1.035 173.574 174.600 0.014 0.000 0.969 266 S CA 0.217 58.411 58.200 -0.010 0.000 1.198 266 S CB -0.692 62.476 63.200 -0.054 0.000 0.903 266 S HN 0.448 nan 8.310 nan 0.000 0.493 267 L N 2.802 124.038 121.223 0.022 0.000 2.345 267 L HA 0.640 4.980 4.340 0.000 0.000 0.274 267 L C -0.117 176.776 176.870 0.038 0.000 0.999 267 L CA -0.307 54.535 54.840 0.002 0.000 0.849 267 L CB 1.354 43.372 42.059 -0.068 0.000 1.220 267 L HN 0.551 nan 8.230 nan 0.000 0.422 268 M N 5.727 125.378 119.600 0.086 0.000 2.156 268 M HA 0.298 4.778 4.480 0.000 0.000 0.345 268 M C -1.006 175.357 176.300 0.105 0.000 1.398 268 M CA -0.386 54.987 55.300 0.122 0.000 1.148 268 M CB 0.609 33.311 32.600 0.170 0.000 1.663 268 M HN 0.418 nan 8.290 nan 0.000 0.464 269 V N 6.147 126.100 119.914 0.065 0.000 2.381 269 V HA -0.000 4.120 4.120 0.000 0.000 0.257 269 V C 1.321 177.434 176.094 0.032 0.000 1.057 269 V CA 0.444 62.752 62.300 0.013 0.000 1.013 269 V CB 0.201 32.007 31.823 -0.028 0.000 1.069 269 V HN 1.067 nan 8.190 nan 0.000 0.484 270 S N 3.235 118.978 115.700 0.071 0.000 2.447 270 S HA -0.016 4.454 4.470 0.000 0.000 0.233 270 S C 0.750 175.375 174.600 0.042 0.000 1.006 270 S CA 0.524 58.784 58.200 0.099 0.000 0.957 270 S CB -0.062 63.243 63.200 0.176 0.000 0.773 270 S HN 1.050 nan 8.310 nan 0.000 0.507 271 S N -2.000 113.698 115.700 -0.004 0.000 2.587 271 S HA 0.758 5.228 4.470 0.000 0.000 0.269 271 S C -0.305 174.242 174.600 -0.087 0.000 1.154 271 S CA -0.562 57.617 58.200 -0.035 0.000 0.824 271 S CB 1.035 64.286 63.200 0.084 0.000 1.118 271 S HN 0.689 nan 8.310 nan 0.000 0.462 272 G N 0.069 108.801 108.800 -0.112 0.000 3.243 272 G HA2 0.821 4.781 3.960 0.000 0.000 0.248 272 G HA3 0.821 4.781 3.960 0.000 0.000 0.248 272 G C -0.170 174.690 174.900 -0.065 0.000 1.267 272 G CA -0.471 44.566 45.100 -0.105 0.000 0.906 272 G HN 1.409 nan 8.290 nan 0.000 0.592 273 A N -0.298 122.511 122.820 -0.019 0.000 2.425 273 A HA 0.494 4.814 4.320 0.000 0.000 0.242 273 A C 0.464 178.002 177.584 -0.076 0.000 1.077 273 A CA -0.311 51.720 52.037 -0.011 0.000 0.781 273 A CB -0.046 19.061 19.000 0.178 0.000 1.020 273 A HN 0.533 nan 8.150 nan 0.000 0.494 274 N N -0.379 118.199 118.700 -0.203 0.000 2.381 274 N HA 0.459 5.199 4.740 0.000 0.000 0.254 274 N C -0.840 174.353 175.510 -0.528 0.000 1.264 274 N CA 0.064 52.909 53.050 -0.343 0.000 0.942 274 N CB 0.664 38.790 38.487 -0.601 0.000 1.190 274 N HN 0.532 nan 8.380 nan 0.000 0.495 275 L N 1.826 122.742 121.223 -0.511 0.000 2.376 275 L HA 0.384 4.724 4.340 0.000 0.000 0.275 275 L C -1.177 175.485 176.870 -0.347 0.000 0.987 275 L CA -0.730 53.807 54.840 -0.506 0.000 0.828 275 L CB 0.898 42.486 42.059 -0.785 0.000 1.249 275 L HN 0.412 nan 8.230 nan 0.000 0.409 276 Y N 1.796 122.147 120.300 0.086 0.000 2.342 276 Y HA 0.713 5.263 4.550 0.000 0.000 0.334 276 Y C 0.393 176.402 175.900 0.182 0.000 1.067 276 Y CA -0.731 57.476 58.100 0.177 0.000 1.128 276 Y CB 1.855 40.450 38.460 0.225 0.000 1.200 276 Y HN 0.568 nan 8.280 nan 0.000 0.464 277 A N 1.990 125.026 122.820 0.360 0.000 2.371 277 A HA 0.823 5.144 4.320 0.000 0.000 0.311 277 A C -0.605 177.131 177.584 0.254 0.000 1.068 277 A CA -0.534 51.689 52.037 0.310 0.000 0.744 277 A CB 1.126 20.321 19.000 0.325 0.000 1.239 277 A HN 0.751 nan 8.150 nan 0.000 0.435 278 S N 0.920 116.789 115.700 0.283 0.000 2.667 278 S HA 0.859 5.329 4.470 0.000 0.000 0.292 278 S C 0.233 175.027 174.600 0.325 0.000 1.126 278 S CA -0.176 58.180 58.200 0.260 0.000 0.881 278 S CB 1.260 64.606 63.200 0.244 0.000 1.132 278 S HN 1.708 nan 8.310 nan 0.000 0.492 279 G N 0.635 109.562 108.800 0.211 0.000 2.476 279 G HA2 0.508 4.468 3.960 0.000 0.000 0.269 279 G HA3 0.508 4.468 3.960 0.000 0.000 0.269 279 G C -0.262 174.596 174.900 -0.069 0.000 1.195 279 G CA -0.482 44.678 45.100 0.100 0.000 0.843 279 G HN 0.748 nan 8.290 nan 0.000 0.545 280 S N -1.190 114.346 115.700 -0.274 0.000 2.738 280 S HA 0.896 5.366 4.470 0.000 0.000 0.284 280 S C 0.545 175.018 174.600 -0.212 0.000 1.146 280 S CA 0.439 58.385 58.200 -0.423 0.000 0.997 280 S CB 1.380 64.269 63.200 -0.518 0.000 1.081 280 S HN 1.898 nan 8.310 nan 0.000 0.553 281 G N 0.905 109.590 108.800 -0.191 0.000 2.392 281 G HA2 0.046 4.006 3.960 0.000 0.000 0.677 281 G HA3 0.046 4.006 3.960 0.000 0.000 0.677 281 G C -2.816 171.974 174.900 -0.183 0.000 1.334 281 G CA -0.521 44.459 45.100 -0.201 0.000 0.961 281 G HN 0.425 nan 8.290 nan 0.000 0.616 282 P HA -0.001 nan 4.420 nan 0.000 0.236 282 P C 1.194 178.402 177.300 -0.153 0.000 1.177 282 P CA 0.924 63.934 63.100 -0.150 0.000 0.773 282 P CB 0.341 31.958 31.700 -0.139 0.000 0.878 283 Q N 0.047 119.728 119.800 -0.198 0.000 2.096 283 Q HA -0.062 4.278 4.340 0.000 0.000 0.197 283 Q C 0.530 176.342 176.000 -0.313 0.000 0.964 283 Q CA 0.875 56.563 55.803 -0.191 0.000 0.838 283 Q CB -0.253 28.413 28.738 -0.120 0.000 0.906 283 Q HN 0.359 nan 8.270 nan 0.000 0.444 284 Q N 0.970 120.510 119.800 -0.434 0.000 2.513 284 Q HA 0.007 4.347 4.340 0.000 0.000 0.227 284 Q C 0.632 176.544 176.000 -0.146 0.000 1.257 284 Q CA 0.394 55.957 55.803 -0.399 0.000 0.915 284 Q CB 0.370 28.904 28.738 -0.340 0.000 1.507 284 Q HN 0.285 nan 8.270 nan 0.000 0.543 285 T N -2.086 112.403 114.554 -0.108 0.000 3.037 285 T HA -0.011 4.339 4.350 0.000 0.000 0.252 285 T C 0.801 175.452 174.700 -0.081 0.000 1.073 285 T CA -0.302 61.755 62.100 -0.072 0.000 1.091 285 T CB 0.154 68.981 68.868 -0.068 0.000 0.935 285 T HN 0.502 nan 8.240 nan 0.000 0.488 286 Q N 1.882 121.625 119.800 -0.094 0.000 2.315 286 Q HA 0.204 4.544 4.340 0.000 0.000 0.289 286 Q C -0.427 175.313 176.000 -0.433 0.000 1.044 286 Q CA -0.026 55.610 55.803 -0.277 0.000 0.920 286 Q CB 0.363 28.906 28.738 -0.324 0.000 1.214 286 Q HN 0.362 nan 8.270 nan 0.000 0.392 287 S N 2.868 118.267 115.700 -0.503 0.000 2.525 287 S HA 0.687 5.157 4.470 0.000 0.000 0.290 287 S C -1.341 172.895 174.600 -0.606 0.000 1.152 287 S CA -0.615 57.364 58.200 -0.367 0.000 1.072 287 S CB 0.386 63.473 63.200 -0.189 0.000 1.027 287 S HN 0.482 nan 8.310 nan 0.000 0.500 288 F N 1.031 120.991 119.950 0.018 0.000 2.593 288 F HA 0.568 5.095 4.527 0.000 0.000 0.320 288 F C 0.789 176.575 175.800 -0.022 0.000 1.060 288 F CA -0.717 57.303 58.000 0.034 0.000 0.940 288 F CB 2.181 41.248 39.000 0.111 0.000 1.268 288 F HN 0.593 nan 8.300 nan 0.000 0.475 289 T N -1.924 112.745 114.554 0.192 0.000 2.927 289 T HA 0.647 4.997 4.350 0.000 0.000 0.286 289 T C 0.850 175.615 174.700 0.108 0.000 1.040 289 T CA -0.277 61.856 62.100 0.055 0.000 1.010 289 T CB 1.592 70.478 68.868 0.030 0.000 1.177 289 T HN 0.703 nan 8.240 nan 0.000 0.546 290 A N 0.062 122.900 122.820 0.030 0.000 1.986 290 A HA -0.139 4.181 4.320 0.000 0.000 0.220 290 A C 2.276 180.070 177.584 0.349 0.000 1.171 290 A CA 1.780 53.954 52.037 0.229 0.000 0.640 290 A CB -1.189 17.945 19.000 0.224 0.000 0.811 290 A HN 0.904 nan 8.150 nan 0.000 0.451 291 Q N -0.627 119.303 119.800 0.216 0.000 2.291 291 Q HA -0.160 4.180 4.340 0.000 0.000 0.206 291 Q C 1.391 177.511 176.000 0.199 0.000 0.976 291 Q CA 1.511 57.425 55.803 0.184 0.000 0.875 291 Q CB -0.255 28.551 28.738 0.112 0.000 0.927 291 Q HN 0.866 nan 8.270 nan 0.000 0.450 292 N N -0.475 118.379 118.700 0.256 0.000 2.424 292 N HA -0.085 4.655 4.740 0.000 0.000 0.178 292 N C 1.117 176.809 175.510 0.304 0.000 1.060 292 N CA -0.040 53.175 53.050 0.276 0.000 0.901 292 N CB -0.026 38.696 38.487 0.393 0.000 0.979 292 N HN 0.340 nan 8.380 nan 0.000 0.451 293 W N 2.988 124.385 121.300 0.163 0.000 2.335 293 W HA -0.075 4.585 4.660 0.000 0.000 0.311 293 W C -1.350 175.122 176.519 -0.078 0.000 1.213 293 W CA 1.216 58.662 57.345 0.168 0.000 1.274 293 W CB -0.826 28.919 29.460 0.476 0.000 1.148 293 W HN 0.049 nan 8.180 nan 0.000 0.498 294 P HA -0.274 nan 4.420 nan 0.000 0.216 294 P C 1.522 178.226 177.300 -0.993 0.000 1.153 294 P CA 2.163 64.735 63.100 -0.879 0.000 0.858 294 P CB -0.690 30.831 31.700 -0.299 0.000 0.789 295 F N 0.068 119.677 119.950 -0.567 0.000 2.102 295 F HA -0.173 4.354 4.527 0.000 0.000 0.298 295 F C 1.945 177.348 175.800 -0.662 0.000 1.105 295 F CA 1.477 59.193 58.000 -0.475 0.000 1.239 295 F CB -1.049 37.799 39.000 -0.253 0.000 0.991 295 F HN -0.256 nan 8.300 nan 0.000 0.474 296 L N -0.242 120.468 121.223 -0.855 0.000 1.989 296 L HA -0.272 4.068 4.340 0.000 0.000 0.211 296 L C 2.667 178.467 176.870 -1.785 0.000 1.071 296 L CA 2.080 56.131 54.840 -1.315 0.000 0.749 296 L CB -1.385 40.227 42.059 -0.745 0.000 0.890 296 L HN 0.462 nan 8.230 nan 0.000 0.431 297 Y N -0.713 118.630 120.300 -1.595 0.000 2.439 297 Y HA -0.067 4.483 4.550 0.000 0.000 0.292 297 Y C 2.603 178.061 175.900 -0.738 0.000 1.130 297 Y CA 0.527 57.862 58.100 -1.276 0.000 1.254 297 Y CB -1.270 36.357 38.460 -1.387 0.000 1.000 297 Y HN 0.187 nan 8.280 nan 0.000 0.554 298 S N 0.079 115.261 115.700 -0.862 0.000 2.428 298 S HA -0.121 4.349 4.470 0.000 0.000 0.230 298 S C 1.806 176.131 174.600 -0.458 0.000 1.014 298 S CA 0.893 58.798 58.200 -0.492 0.000 0.957 298 S CB -0.774 62.127 63.200 -0.498 0.000 0.784 298 S HN 0.469 nan 8.310 nan 0.000 0.499 299 L N 0.574 121.356 121.223 -0.735 0.000 2.127 299 L HA 0.386 4.726 4.340 0.000 0.000 0.203 299 L C 2.009 178.785 176.870 -0.157 0.000 1.080 299 L CA 1.395 55.901 54.840 -0.557 0.000 0.768 299 L CB -0.755 40.779 42.059 -0.875 0.000 0.924 299 L HN 0.374 nan 8.230 nan 0.000 0.444 300 F N -0.607 119.197 119.950 -0.244 0.000 2.451 300 F HA -0.121 4.406 4.527 0.000 0.000 0.299 300 F C 1.802 177.638 175.800 0.061 0.000 1.101 300 F CA 0.278 58.239 58.000 -0.064 0.000 1.436 300 F CB -0.066 38.851 39.000 -0.138 0.000 1.074 300 F HN 0.267 nan 8.300 nan 0.000 0.553 301 Q N 0.186 120.088 119.800 0.169 0.000 2.188 301 Q HA 0.135 4.475 4.340 0.000 0.000 0.212 301 Q C 0.002 176.007 176.000 0.009 0.000 0.846 301 Q CA -0.251 55.638 55.803 0.142 0.000 0.989 301 Q CB 0.946 29.772 28.738 0.147 0.000 1.114 301 Q HN 0.070 nan 8.270 nan 0.000 0.488 302 V N 2.942 122.837 119.914 -0.033 0.000 2.529 302 V HA -0.079 4.041 4.120 0.000 0.000 0.292 302 V C 0.466 176.458 176.094 -0.169 0.000 1.028 302 V CA 0.326 62.542 62.300 -0.139 0.000 1.074 302 V CB 0.434 32.184 31.823 -0.120 0.000 0.958 302 V HN 0.606 nan 8.190 nan 0.000 0.481 303 N N 3.163 121.687 118.700 -0.293 0.000 2.776 303 N HA -0.173 4.567 4.740 0.000 0.000 0.249 303 N C 1.316 176.721 175.510 -0.175 0.000 1.111 303 N CA 1.176 54.015 53.050 -0.352 0.000 0.711 303 N CB -1.304 36.601 38.487 -0.971 0.000 1.065 303 N HN 0.705 nan 8.380 nan 0.000 0.556 304 S N 0.175 115.846 115.700 -0.048 0.000 2.447 304 S HA -0.085 4.385 4.470 0.000 0.000 0.233 304 S C 1.612 176.299 174.600 0.145 0.000 1.006 304 S CA 0.970 59.233 58.200 0.105 0.000 0.957 304 S CB -0.063 63.235 63.200 0.164 0.000 0.773 304 S HN 0.655 nan 8.310 nan 0.000 0.507 305 N N -0.066 118.691 118.700 0.094 0.000 2.398 305 N HA -0.029 4.711 4.740 0.000 0.000 0.188 305 N C -0.116 175.272 175.510 -0.204 0.000 1.122 305 N CA 0.176 53.247 53.050 0.035 0.000 0.866 305 N CB -0.244 38.285 38.487 0.071 0.000 0.970 305 N HN 0.330 nan 8.380 nan 0.000 0.462 306 Y N 0.683 120.916 120.300 -0.112 0.000 2.458 306 Y HA 0.482 5.032 4.550 0.000 0.000 0.322 306 Y C 0.776 176.693 175.900 0.028 0.000 1.259 306 Y CA -0.917 57.128 58.100 -0.092 0.000 1.302 306 Y CB 1.249 39.559 38.460 -0.250 0.000 1.314 306 Y HN -0.210 nan 8.280 nan 0.000 0.509 307 I N 3.044 123.755 120.570 0.235 0.000 2.297 307 I HA 0.090 4.260 4.170 0.000 0.000 0.291 307 I C -0.714 175.539 176.117 0.226 0.000 1.033 307 I CA -0.672 60.711 61.300 0.139 0.000 1.253 307 I CB 0.659 38.666 38.000 0.011 0.000 1.396 307 I HN 0.287 nan 8.210 nan 0.000 0.476 308 L N 6.297 127.636 121.223 0.193 0.000 2.559 308 L HA -0.053 4.287 4.340 0.000 0.000 0.274 308 L C 1.125 177.966 176.870 -0.049 0.000 1.205 308 L CA 1.041 55.883 54.840 0.003 0.000 0.907 308 L CB 0.980 43.050 42.059 0.019 0.000 1.153 308 L HN 0.684 nan 8.230 nan 0.000 0.490 309 S N 2.566 118.186 115.700 -0.134 0.000 2.566 309 S HA 0.601 5.071 4.470 0.000 0.000 0.234 309 S C 0.518 175.124 174.600 0.010 0.000 1.075 309 S CA 0.403 58.560 58.200 -0.072 0.000 0.926 309 S CB -0.002 63.155 63.200 -0.072 0.000 0.811 309 S HN 1.097 nan 8.310 nan 0.000 0.518 310 G N 0.637 109.392 108.800 -0.075 0.000 2.356 310 G HA2 0.379 4.339 3.960 0.000 0.000 0.281 310 G HA3 0.379 4.339 3.960 0.000 0.000 0.281 310 G C -1.704 173.060 174.900 -0.227 0.000 1.246 310 G CA -0.255 44.828 45.100 -0.028 0.000 0.889 310 G HN 0.909 nan 8.290 nan 0.000 0.486 311 I N -2.039 118.413 120.570 -0.196 0.000 3.095 311 I HA 0.899 5.069 4.170 0.000 0.000 0.310 311 I C -0.376 175.587 176.117 -0.257 0.000 1.196 311 I CA -0.896 60.264 61.300 -0.234 0.000 0.985 311 I CB 2.358 40.208 38.000 -0.249 0.000 1.250 311 I HN 0.997 nan 8.210 nan 0.000 0.446 312 S N 1.777 117.283 115.700 -0.324 0.000 2.570 312 S HA 1.035 5.505 4.470 0.000 0.000 0.286 312 S C -0.453 173.660 174.600 -0.812 0.000 1.099 312 S CA -0.177 57.734 58.200 -0.482 0.000 0.913 312 S CB 1.806 64.944 63.200 -0.102 0.000 1.085 312 S HN 1.572 nan 8.310 nan 0.000 0.480 313 G N 0.083 108.107 108.800 -1.294 0.000 2.495 313 G HA2 0.536 4.496 3.960 0.000 0.000 0.294 313 G HA3 0.536 4.496 3.960 0.000 0.000 0.294 313 G C -1.605 172.916 174.900 -0.632 0.000 1.397 313 G CA -0.678 43.653 45.100 -1.283 0.000 0.790 313 G HN 0.802 nan 8.290 nan 0.000 0.486 314 T N 1.127 115.557 114.554 -0.206 0.000 2.821 314 T HA 0.531 4.881 4.350 0.000 0.000 0.307 314 T C 0.231 175.063 174.700 0.221 0.000 1.034 314 T CA -0.565 61.605 62.100 0.116 0.000 0.953 314 T CB 0.530 69.479 68.868 0.135 0.000 0.968 314 T HN 0.711 nan 8.240 nan 0.000 0.462 315 R N 3.407 124.070 120.500 0.271 0.000 2.407 315 R HA 0.775 5.115 4.340 0.000 0.000 0.303 315 R C -1.198 175.221 176.300 0.198 0.000 0.981 315 R CA -0.907 55.271 56.100 0.131 0.000 0.905 315 R CB 1.065 31.140 30.300 -0.375 0.000 1.099 315 R HN 0.422 nan 8.270 nan 0.000 0.459 316 L N 1.737 123.155 121.223 0.324 0.000 2.386 316 L HA 0.420 4.760 4.340 0.000 0.000 0.271 316 L C -0.539 176.534 176.870 0.337 0.000 0.993 316 L CA -0.924 54.077 54.840 0.267 0.000 0.819 316 L CB 2.642 44.809 42.059 0.179 0.000 1.294 316 L HN 0.744 nan 8.230 nan 0.000 0.414 317 S N 3.569 119.426 115.700 0.262 0.000 2.653 317 S HA 0.599 5.069 4.470 0.000 0.000 0.272 317 S C -0.504 174.144 174.600 0.080 0.000 1.221 317 S CA -0.337 57.997 58.200 0.223 0.000 1.149 317 S CB 0.421 63.844 63.200 0.373 0.000 1.029 317 S HN 0.327 nan 8.310 nan 0.000 0.481 318 I N 2.417 122.987 120.570 -0.001 0.000 2.378 318 I HA 0.378 4.548 4.170 0.000 0.000 0.291 318 I C -0.068 176.022 176.117 -0.046 0.000 0.992 318 I CA -0.301 61.011 61.300 0.021 0.000 1.154 318 I CB 2.101 40.148 38.000 0.078 0.000 1.315 318 I HN 0.321 nan 8.210 nan 0.000 0.448 319 T N 6.615 121.149 114.554 -0.033 0.000 3.327 319 T HA 0.320 4.670 4.350 0.000 0.000 0.373 319 T C -0.268 174.380 174.700 -0.086 0.000 1.589 319 T CA -0.494 61.528 62.100 -0.131 0.000 1.497 319 T CB -0.410 68.392 68.868 -0.109 0.000 1.032 319 T HN 0.342 nan 8.240 nan 0.000 0.640 320 F N 1.152 121.087 119.950 -0.025 0.000 2.471 320 F HA 0.593 5.120 4.527 0.000 0.000 0.353 320 F C -2.726 173.066 175.800 -0.012 0.000 1.113 320 F CA -2.807 55.184 58.000 -0.014 0.000 1.262 320 F CB -0.433 38.559 39.000 -0.013 0.000 1.146 320 F HN 0.100 nan 8.300 nan 0.000 0.578 321 P HA 0.074 nan 4.420 nan 0.000 0.269 321 P C -0.992 176.429 177.300 0.201 0.000 1.209 321 P CA -0.154 63.004 63.100 0.096 0.000 0.776 321 P CB 0.534 32.289 31.700 0.092 0.000 0.876 322 N N 2.087 120.833 118.700 0.077 0.000 2.458 322 N HA 0.300 5.040 4.740 0.000 0.000 0.270 322 N C -0.198 175.379 175.510 0.112 0.000 1.102 322 N CA 0.010 53.137 53.050 0.128 0.000 0.967 322 N CB -0.126 38.383 38.487 0.037 0.000 1.078 322 N HN 0.307 nan 8.380 nan 0.000 0.471 323 I N -0.045 120.602 120.570 0.129 0.000 3.237 323 I HA 0.667 4.837 4.170 0.000 0.000 0.308 323 I C 1.145 177.295 176.117 0.055 0.000 1.093 323 I CA -0.173 61.171 61.300 0.074 0.000 1.001 323 I CB 1.539 39.574 38.000 0.060 0.000 1.245 323 I HN 0.653 nan 8.210 nan 0.000 0.485 324 G N 1.814 110.635 108.800 0.034 0.000 2.157 324 G HA2 0.095 4.055 3.960 0.000 0.000 0.239 324 G HA3 0.095 4.055 3.960 0.000 0.000 0.239 324 G C 1.072 175.985 174.900 0.021 0.000 0.982 324 G CA 0.471 45.586 45.100 0.025 0.000 0.650 324 G HN 2.059 nan 8.290 nan 0.000 0.527 325 G N -1.197 107.617 108.800 0.022 0.000 2.232 325 G HA2 -0.166 3.794 3.960 0.000 0.000 0.226 325 G HA3 -0.166 3.794 3.960 0.000 0.000 0.226 325 G C 0.536 175.446 174.900 0.017 0.000 0.996 325 G CA 0.363 45.473 45.100 0.017 0.000 0.626 325 G HN 1.270 nan 8.290 nan 0.000 0.509 326 L N 2.811 124.047 121.223 0.022 0.000 2.452 326 L HA 0.426 4.766 4.340 0.000 0.000 0.267 326 L C -0.543 176.335 176.870 0.014 0.000 1.188 326 L CA -1.495 53.355 54.840 0.018 0.000 0.821 326 L CB 0.457 42.531 42.059 0.024 0.000 1.102 326 L HN 0.168 nan 8.230 nan 0.000 0.470 327 P HA 0.342 nan 4.420 nan 0.000 0.317 327 P C 0.115 177.409 177.300 -0.011 0.000 1.307 327 P CA 0.087 63.187 63.100 -0.001 0.000 0.749 327 P CB 0.574 32.273 31.700 -0.003 0.000 1.377 328 G N -0.612 108.176 108.800 -0.020 0.000 2.578 328 G HA2 -0.066 3.894 3.960 0.000 0.000 0.284 328 G HA3 -0.066 3.894 3.960 0.000 0.000 0.284 328 G C -0.060 174.803 174.900 -0.061 0.000 1.283 328 G CA 0.416 45.493 45.100 -0.038 0.000 0.944 328 G HN 0.879 nan 8.290 nan 0.000 0.558 329 S N -3.543 112.094 115.700 -0.105 0.000 2.757 329 S HA 0.783 5.253 4.470 0.000 0.000 0.285 329 S C -0.990 173.428 174.600 -0.304 0.000 1.196 329 S CA 0.620 58.700 58.200 -0.200 0.000 0.856 329 S CB 1.600 64.683 63.200 -0.195 0.000 1.212 329 S HN 1.469 nan 8.310 nan 0.000 0.516 330 T N 1.869 116.065 114.554 -0.596 0.000 2.937 330 T HA 0.627 4.977 4.350 0.000 0.000 0.297 330 T C -1.305 173.024 174.700 -0.618 0.000 0.991 330 T CA -0.336 61.385 62.100 -0.632 0.000 0.990 330 T CB 1.501 69.883 68.868 -0.810 0.000 0.991 330 T HN 0.553 nan 8.240 nan 0.000 0.440 331 T N 2.045 116.393 114.554 -0.344 0.000 2.885 331 T HA 0.712 5.062 4.350 0.000 0.000 0.285 331 T C -0.392 174.129 174.700 -0.298 0.000 1.019 331 T CA -0.650 61.260 62.100 -0.317 0.000 1.010 331 T CB 1.840 70.525 68.868 -0.305 0.000 1.022 331 T HN 0.542 nan 8.240 nan 0.000 0.466 332 T N 2.527 116.880 114.554 -0.335 0.000 3.050 332 T HA 0.299 4.649 4.350 0.000 0.000 0.310 332 T C -1.386 173.103 174.700 -0.353 0.000 0.978 332 T CA -0.726 61.216 62.100 -0.263 0.000 1.013 332 T CB 0.166 68.990 68.868 -0.074 0.000 1.000 332 T HN 0.566 nan 8.240 nan 0.000 0.447 333 H N 3.612 122.554 119.070 -0.214 0.000 2.690 333 H HA 0.539 5.095 4.556 0.000 0.000 0.289 333 H C 0.348 175.408 175.328 -0.447 0.000 1.089 333 H CA -0.385 55.337 56.048 -0.544 0.000 1.299 333 H CB 0.960 29.999 29.762 -1.206 0.000 1.405 333 H HN 0.697 nan 8.280 nan 0.000 0.463 334 S N 2.924 118.690 115.700 0.110 0.000 2.599 334 S HA 0.496 4.967 4.470 0.000 0.000 0.294 334 S C -0.655 174.198 174.600 0.421 0.000 1.094 334 S CA -1.059 57.280 58.200 0.232 0.000 0.931 334 S CB 2.417 65.686 63.200 0.116 0.000 1.093 334 S HN 0.305 nan 8.310 nan 0.000 0.488 335 L N 2.068 123.450 121.223 0.264 0.000 2.295 335 L HA 0.613 4.953 4.340 0.000 0.000 0.281 335 L C -0.152 176.746 176.870 0.046 0.000 1.018 335 L CA -0.235 54.715 54.840 0.183 0.000 0.841 335 L CB 0.505 42.661 42.059 0.161 0.000 1.218 335 L HN 0.762 nan 8.230 nan 0.000 0.424 336 N N 1.521 120.262 118.700 0.069 0.000 2.415 336 N HA 0.119 4.859 4.740 0.000 0.000 0.176 336 N C -0.185 175.339 175.510 0.024 0.000 1.042 336 N CA 0.459 53.531 53.050 0.037 0.000 0.902 336 N CB 0.356 38.886 38.487 0.072 0.000 0.986 336 N HN 0.541 nan 8.380 nan 0.000 0.447 337 S N -1.180 114.524 115.700 0.005 0.000 2.537 337 S HA 0.826 5.296 4.470 0.000 0.000 0.270 337 S C -1.960 172.517 174.600 -0.205 0.000 1.142 337 S CA -0.507 57.688 58.200 -0.008 0.000 0.870 337 S CB 1.208 64.490 63.200 0.136 0.000 1.112 337 S HN 0.191 nan 8.310 nan 0.000 0.466 338 A N 2.568 125.301 122.820 -0.144 0.000 2.612 338 A HA 0.910 5.230 4.320 0.000 0.000 0.293 338 A C -1.046 176.512 177.584 -0.043 0.000 1.075 338 A CA -0.748 51.148 52.037 -0.235 0.000 0.680 338 A CB 1.749 20.691 19.000 -0.098 0.000 1.279 338 A HN 0.910 nan 8.150 nan 0.000 0.411 339 R N 0.844 121.311 120.500 -0.055 0.000 2.535 339 R HA 0.581 4.921 4.340 0.000 0.000 0.274 339 R C -1.966 174.296 176.300 -0.063 0.000 1.090 339 R CA -0.430 55.684 56.100 0.023 0.000 0.930 339 R CB 1.928 32.302 30.300 0.122 0.000 1.223 339 R HN 0.638 nan 8.270 nan 0.000 0.441 340 V N 4.126 124.001 119.914 -0.064 0.000 2.607 340 V HA 0.377 4.497 4.120 0.000 0.000 0.289 340 V C -0.162 175.779 176.094 -0.254 0.000 1.053 340 V CA -0.606 61.572 62.300 -0.205 0.000 0.996 340 V CB 1.478 33.181 31.823 -0.199 0.000 0.995 340 V HN 0.726 nan 8.190 nan 0.000 0.476 341 N N 2.711 121.159 118.700 -0.421 0.000 2.370 341 N HA 0.640 5.380 4.740 0.000 0.000 0.303 341 N C -1.313 173.868 175.510 -0.548 0.000 1.103 341 N CA -0.382 52.484 53.050 -0.307 0.000 0.848 341 N CB 2.232 40.624 38.487 -0.158 0.000 1.235 341 N HN 0.557 nan 8.380 nan 0.000 0.496 342 Y N -0.846 119.413 120.300 -0.067 0.000 2.638 342 Y HA 0.352 4.902 4.550 0.000 0.000 0.339 342 Y C 0.555 176.445 175.900 -0.017 0.000 1.084 342 Y CA -0.918 57.161 58.100 -0.034 0.000 1.068 342 Y CB 0.960 39.394 38.460 -0.044 0.000 1.294 342 Y HN 0.278 nan 8.280 nan 0.000 0.480 343 S N 0.336 116.160 115.700 0.207 0.000 2.573 343 S HA 0.356 4.826 4.470 0.000 0.000 0.277 343 S C 1.006 175.703 174.600 0.161 0.000 1.346 343 S CA 0.835 59.112 58.200 0.129 0.000 1.034 343 S CB 0.200 63.459 63.200 0.098 0.000 0.879 343 S HN 1.274 nan 8.310 nan 0.000 0.528 344 G N 0.830 109.688 108.800 0.096 0.000 2.176 344 G HA2 -0.028 3.933 3.960 0.000 0.000 0.253 344 G HA3 -0.028 3.933 3.960 0.000 0.000 0.253 344 G C 0.946 175.873 174.900 0.044 0.000 0.979 344 G CA 0.290 45.447 45.100 0.094 0.000 0.641 344 G HN 1.998 nan 8.290 nan 0.000 0.530 345 G N -2.122 106.695 108.800 0.027 0.000 2.148 345 G HA2 -0.026 3.934 3.960 0.000 0.000 0.254 345 G HA3 -0.026 3.934 3.960 0.000 0.000 0.254 345 G C 0.545 175.427 174.900 -0.030 0.000 0.981 345 G CA 0.725 45.825 45.100 -0.001 0.000 0.670 345 G HN 1.647 nan 8.290 nan 0.000 0.528 346 V N 0.519 120.392 119.914 -0.068 0.000 2.775 346 V HA 0.664 4.784 4.120 0.000 0.000 0.299 346 V C 0.753 176.846 176.094 -0.002 0.000 1.062 346 V CA 0.458 62.648 62.300 -0.183 0.000 1.063 346 V CB 1.670 33.099 31.823 -0.657 0.000 0.994 346 V HN 0.403 nan 8.190 nan 0.000 0.483 347 S N 1.076 116.763 115.700 -0.022 0.000 2.595 347 S HA 0.591 5.061 4.470 0.000 0.000 0.281 347 S C -0.132 174.507 174.600 0.065 0.000 1.117 347 S CA -0.498 57.762 58.200 0.100 0.000 0.873 347 S CB 2.099 65.314 63.200 0.024 0.000 1.108 347 S HN 1.017 nan 8.310 nan 0.000 0.477 348 S N 0.973 116.772 115.700 0.165 0.000 2.598 348 S HA 0.740 5.210 4.470 0.000 0.000 0.267 348 S C 0.682 175.302 174.600 0.034 0.000 1.189 348 S CA -0.369 57.886 58.200 0.092 0.000 1.010 348 S CB -0.192 63.102 63.200 0.158 0.000 1.084 348 S HN 0.921 nan 8.310 nan 0.000 0.541 349 G N -0.828 107.987 108.800 0.025 0.000 2.562 349 G HA2 0.523 4.483 3.960 0.000 0.000 0.275 349 G HA3 0.523 4.483 3.960 0.000 0.000 0.275 349 G C -0.527 174.404 174.900 0.052 0.000 1.196 349 G CA -1.068 44.047 45.100 0.025 0.000 0.908 349 G HN 0.690 nan 8.290 nan 0.000 0.524 350 L N -0.469 120.788 121.223 0.056 0.000 2.436 350 L HA 0.368 4.708 4.340 0.000 0.000 0.265 350 L C -0.072 176.852 176.870 0.089 0.000 1.168 350 L CA -0.049 54.840 54.840 0.083 0.000 0.815 350 L CB 0.927 43.035 42.059 0.080 0.000 1.109 350 L HN 0.270 nan 8.230 nan 0.000 0.462 351 I N 1.662 122.288 120.570 0.093 0.000 2.436 351 I HA 0.619 4.789 4.170 0.000 0.000 0.289 351 I C 0.596 176.762 176.117 0.080 0.000 1.010 351 I CA -0.187 61.172 61.300 0.097 0.000 1.098 351 I CB 1.535 39.594 38.000 0.098 0.000 1.266 351 I HN 0.804 nan 8.210 nan 0.000 0.434 352 G N 4.310 113.162 108.800 0.086 0.000 2.488 352 G HA2 -0.039 3.921 3.960 0.000 0.000 0.237 352 G HA3 -0.039 3.921 3.960 0.000 0.000 0.237 352 G C -0.090 174.853 174.900 0.072 0.000 1.209 352 G CA -0.304 44.835 45.100 0.066 0.000 0.929 352 G HN 1.054 nan 8.290 nan 0.000 0.578 353 A N -0.054 122.807 122.820 0.068 0.000 2.511 353 A HA 0.586 4.906 4.320 0.000 0.000 0.242 353 A C 1.554 179.186 177.584 0.081 0.000 1.069 353 A CA 1.784 53.863 52.037 0.070 0.000 0.763 353 A CB 0.085 19.126 19.000 0.068 0.000 1.001 353 A HN 2.293 nan 8.150 nan 0.000 0.498 354 T N -1.420 113.169 114.554 0.058 0.000 3.054 354 T HA 0.092 4.442 4.350 0.000 0.000 0.255 354 T C 0.433 175.147 174.700 0.023 0.000 1.035 354 T CA 0.443 62.569 62.100 0.043 0.000 0.941 354 T CB -0.758 68.130 68.868 0.033 0.000 1.026 354 T HN 0.850 nan 8.240 nan 0.000 0.533 355 N N 0.752 119.470 118.700 0.031 0.000 2.338 355 N HA 0.380 5.120 4.740 0.000 0.000 0.251 355 N C -0.532 174.993 175.510 0.026 0.000 1.199 355 N CA -0.654 52.408 53.050 0.019 0.000 0.879 355 N CB 0.294 38.793 38.487 0.020 0.000 1.159 355 N HN 0.258 nan 8.380 nan 0.000 0.514 356 L N 0.153 121.400 121.223 0.039 0.000 2.381 356 L HA 0.446 4.786 4.340 0.000 0.000 0.268 356 L C -0.602 176.298 176.870 0.049 0.000 0.997 356 L CA -1.148 53.728 54.840 0.061 0.000 0.818 356 L CB 1.778 43.899 42.059 0.102 0.000 1.310 356 L HN 0.157 nan 8.230 nan 0.000 0.416 357 N N 0.599 119.323 118.700 0.041 0.000 2.514 357 N HA 0.216 4.956 4.740 0.000 0.000 0.277 357 N C -0.586 175.000 175.510 0.127 0.000 1.126 357 N CA -0.265 52.788 53.050 0.005 0.000 0.978 357 N CB 0.732 39.221 38.487 0.004 0.000 1.106 357 N HN 0.534 nan 8.380 nan 0.000 0.461 358 H N 0.907 119.955 119.070 -0.036 0.000 2.683 358 H HA 0.068 4.624 4.556 0.000 0.000 0.339 358 H C 0.428 175.735 175.328 -0.035 0.000 1.081 358 H CA -0.454 55.553 56.048 -0.070 0.000 1.432 358 H CB 0.809 30.469 29.762 -0.170 0.000 1.462 358 H HN 0.577 nan 8.280 nan 0.000 0.557 359 N N 3.071 121.859 118.700 0.148 0.000 2.234 359 N HA 0.074 4.814 4.740 0.000 0.000 0.227 359 N C -0.871 174.779 175.510 0.233 0.000 1.151 359 N CA -0.344 52.801 53.050 0.157 0.000 0.865 359 N CB 0.202 38.785 38.487 0.160 0.000 1.066 359 N HN 0.423 nan 8.380 nan 0.000 0.515 360 F N -1.929 118.024 119.950 0.006 0.000 2.725 360 F HA 0.582 5.109 4.527 0.000 0.000 0.309 360 F C -2.179 173.612 175.800 -0.015 0.000 1.132 360 F CA -1.221 56.765 58.000 -0.023 0.000 0.957 360 F CB 0.832 39.790 39.000 -0.071 0.000 1.286 360 F HN -0.224 nan 8.300 nan 0.000 0.440 361 N N 1.814 120.534 118.700 0.034 0.000 2.410 361 N HA 0.523 5.263 4.740 0.000 0.000 0.287 361 N C -1.964 173.621 175.510 0.124 0.000 1.044 361 N CA -0.451 52.567 53.050 -0.053 0.000 0.881 361 N CB 1.988 40.455 38.487 -0.035 0.000 1.405 361 N HN 0.972 nan 8.380 nan 0.000 0.490 362 c N 3.423 122.102 118.600 0.131 0.000 2.281 362 c HA 0.861 5.431 4.570 0.000 0.000 0.323 362 c C -0.061 174.141 174.090 0.186 0.000 1.270 362 c CA -0.134 56.322 56.329 0.212 0.000 1.559 362 c CB -1.550 41.145 42.510 0.310 0.000 2.239 362 c HN 0.822 nan 8.230 nan 0.000 0.488 363 S N 2.982 118.821 115.700 0.233 0.000 2.705 363 S HA 0.691 5.161 4.470 0.000 0.000 0.280 363 S C -0.384 174.289 174.600 0.121 0.000 1.174 363 S CA -0.228 58.123 58.200 0.252 0.000 0.823 363 S CB 1.127 64.368 63.200 0.068 0.000 1.162 363 S HN 1.180 nan 8.310 nan 0.000 0.487 364 T N -0.300 114.140 114.554 -0.191 0.000 2.776 364 T HA 0.306 4.656 4.350 0.000 0.000 0.292 364 T C 1.238 175.842 174.700 -0.162 0.000 0.921 364 T CA -0.087 61.781 62.100 -0.387 0.000 1.038 364 T CB 0.275 68.814 68.868 -0.547 0.000 0.910 364 T HN 1.011 nan 8.240 nan 0.000 0.536 365 V N 4.885 124.748 119.914 -0.086 0.000 2.277 365 V HA -0.101 4.019 4.120 0.000 0.000 0.253 365 V C 1.244 177.301 176.094 -0.063 0.000 1.067 365 V CA 1.760 64.032 62.300 -0.047 0.000 1.047 365 V CB -0.534 31.277 31.823 -0.021 0.000 0.649 365 V HN 0.834 nan 8.190 nan 0.000 0.447 366 L N -0.303 120.870 121.223 -0.082 0.000 2.490 366 L HA 0.329 4.669 4.340 0.000 0.000 0.245 366 L C -2.088 174.717 176.870 -0.108 0.000 1.185 366 L CA -1.916 52.876 54.840 -0.079 0.000 0.813 366 L CB -0.493 41.523 42.059 -0.072 0.000 1.233 366 L HN 0.012 nan 8.230 nan 0.000 0.489 367 P HA -0.058 nan 4.420 nan 0.000 0.260 367 P C -1.917 175.282 177.300 -0.168 0.000 1.172 367 P CA -0.620 62.409 63.100 -0.119 0.000 0.760 367 P CB 0.093 31.728 31.700 -0.109 0.000 0.773 368 P HA -0.156 nan 4.420 nan 0.000 0.220 368 P C 0.968 178.112 177.300 -0.260 0.000 1.144 368 P CA 1.571 64.542 63.100 -0.215 0.000 0.800 368 P CB 0.086 31.695 31.700 -0.151 0.000 0.772 369 L N -0.441 120.624 121.223 -0.263 0.000 2.416 369 L HA 0.007 4.347 4.340 0.000 0.000 0.216 369 L C 2.823 179.409 176.870 -0.474 0.000 1.098 369 L CA 1.160 55.783 54.840 -0.361 0.000 0.840 369 L CB -0.625 41.263 42.059 -0.284 0.000 0.981 369 L HN 0.091 nan 8.230 nan 0.000 0.462 370 S N -0.980 114.540 115.700 -0.300 0.000 2.377 370 S HA -0.080 4.390 4.470 0.000 0.000 0.223 370 S C 1.281 175.754 174.600 -0.211 0.000 1.030 370 S CA 0.908 58.985 58.200 -0.205 0.000 0.970 370 S CB -0.376 62.762 63.200 -0.103 0.000 0.830 370 S HN 0.405 nan 8.310 nan 0.000 0.473 371 T N 0.306 114.727 114.554 -0.221 0.000 3.410 371 T HA 0.501 4.852 4.350 0.000 0.000 0.328 371 T C -2.916 171.638 174.700 -0.243 0.000 1.567 371 T CA -1.892 60.110 62.100 -0.164 0.000 1.626 371 T CB 1.367 70.165 68.868 -0.117 0.000 0.939 371 T HN 0.184 nan 8.240 nan 0.000 0.656 372 P HA 0.278 nan 4.420 nan 0.000 0.272 372 P C -0.314 176.951 177.300 -0.058 0.000 1.240 372 P CA -0.603 62.378 63.100 -0.199 0.000 0.791 372 P CB 0.761 32.368 31.700 -0.155 0.000 0.978 373 F N -0.088 119.921 119.950 0.097 0.000 2.429 373 F HA 0.082 4.609 4.527 0.000 0.000 0.348 373 F C 1.719 177.651 175.800 0.219 0.000 1.109 373 F CA 0.115 58.206 58.000 0.152 0.000 1.232 373 F CB 0.681 39.746 39.000 0.109 0.000 1.157 373 F HN 0.116 nan 8.300 nan 0.000 0.564 374 V N -0.414 119.763 119.914 0.439 0.000 3.332 374 V HA 0.379 4.499 4.120 0.000 0.000 0.263 374 V C -0.023 176.317 176.094 0.409 0.000 1.562 374 V CA -0.353 62.179 62.300 0.388 0.000 1.040 374 V CB 0.194 32.228 31.823 0.351 0.000 0.857 374 V HN 0.724 nan 8.190 nan 0.000 0.428 375 R N 1.349 122.019 120.500 0.283 0.000 2.686 375 R HA 0.731 5.072 4.340 0.000 0.000 0.283 375 R C -0.939 175.304 176.300 -0.095 0.000 0.978 375 R CA 0.530 56.659 56.100 0.048 0.000 0.897 375 R CB 2.267 32.443 30.300 -0.207 0.000 1.192 375 R HN 0.592 nan 8.270 nan 0.000 0.457 376 S N 2.545 118.059 115.700 -0.311 0.000 2.599 376 S HA 0.617 5.087 4.470 0.000 0.000 0.287 376 S C -1.247 173.005 174.600 -0.580 0.000 1.105 376 S CA -0.833 57.126 58.200 -0.401 0.000 0.899 376 S CB 1.451 64.496 63.200 -0.259 0.000 1.100 376 S HN 0.572 nan 8.310 nan 0.000 0.482 377 W N 2.134 123.267 121.300 -0.278 0.000 2.475 377 W HA 0.469 5.129 4.660 0.000 0.000 0.320 377 W C -0.586 175.851 176.519 -0.136 0.000 1.022 377 W CA -0.754 56.508 57.345 -0.139 0.000 1.240 377 W CB 1.637 31.032 29.460 -0.108 0.000 1.328 377 W HN 0.643 nan 8.180 nan 0.000 0.439 378 L N 1.106 122.402 121.223 0.122 0.000 2.966 378 L HA 0.137 4.477 4.340 0.000 0.000 0.262 378 L C 0.279 177.257 176.870 0.180 0.000 1.165 378 L CA -0.223 54.699 54.840 0.138 0.000 0.978 378 L CB 0.026 42.157 42.059 0.121 0.000 1.337 378 L HN 0.074 nan 8.230 nan 0.000 0.563 379 D N 1.382 121.897 120.400 0.192 0.000 2.368 379 D HA 0.266 4.906 4.640 0.000 0.000 0.240 379 D C 0.475 176.890 176.300 0.191 0.000 1.169 379 D CA 0.409 54.504 54.000 0.159 0.000 0.906 379 D CB 1.228 42.148 40.800 0.200 0.000 1.187 379 D HN 0.131 nan 8.370 nan 0.000 0.435 380 S N -0.672 114.958 115.700 -0.117 0.000 2.677 380 S HA 0.923 5.393 4.470 0.000 0.000 0.304 380 S C -0.021 173.877 174.600 -1.169 0.000 1.108 380 S CA -0.513 57.387 58.200 -0.500 0.000 0.944 380 S CB 2.400 65.447 63.200 -0.254 0.000 1.127 380 S HN 0.631 nan 8.310 nan 0.000 0.511 381 G N -0.361 107.310 108.800 -1.882 0.000 2.349 381 G HA2 0.535 4.495 3.960 0.000 0.000 0.294 381 G HA3 0.535 4.495 3.960 0.000 0.000 0.294 381 G C -1.683 172.471 174.900 -1.244 0.000 1.380 381 G CA -0.625 43.574 45.100 -1.501 0.000 0.811 381 G HN 0.859 nan 8.290 nan 0.000 0.519 382 T N 1.496 115.808 114.554 -0.403 0.000 2.879 382 T HA 0.590 4.940 4.350 0.000 0.000 0.290 382 T C -1.506 173.284 174.700 0.151 0.000 0.993 382 T CA -0.595 61.434 62.100 -0.118 0.000 0.975 382 T CB 1.705 70.511 68.868 -0.104 0.000 0.981 382 T HN 0.412 nan 8.240 nan 0.000 0.439 383 D N 2.494 123.047 120.400 0.255 0.000 2.163 383 D HA 0.468 5.109 4.640 0.000 0.000 0.248 383 D C 0.094 176.448 176.300 0.088 0.000 1.035 383 D CA -0.547 53.571 54.000 0.195 0.000 0.872 383 D CB 1.628 42.544 40.800 0.194 0.000 1.183 383 D HN 0.268 nan 8.370 nan 0.000 0.445 384 R N 1.569 122.103 120.500 0.055 0.000 2.621 384 R HA 0.430 4.770 4.340 0.000 0.000 0.292 384 R C -0.218 176.091 176.300 0.014 0.000 0.969 384 R CA -0.783 55.331 56.100 0.024 0.000 0.887 384 R CB 2.544 32.854 30.300 0.017 0.000 1.180 384 R HN 0.509 nan 8.270 nan 0.000 0.450 385 E N 0.848 121.049 120.200 0.002 0.000 2.454 385 E HA 0.451 4.801 4.350 0.000 0.000 0.279 385 E C 0.191 176.786 176.600 -0.008 0.000 1.029 385 E CA -0.679 55.719 56.400 -0.003 0.000 0.831 385 E CB 1.327 31.024 29.700 -0.005 0.000 1.405 385 E HN 0.584 nan 8.360 nan 0.000 0.463 386 G N 0.101 108.896 108.800 -0.008 0.000 2.596 386 G HA2 -0.352 3.608 3.960 0.000 0.000 0.304 386 G HA3 -0.352 3.608 3.960 0.000 0.000 0.304 386 G C 0.744 175.640 174.900 -0.007 0.000 1.189 386 G CA 1.482 46.576 45.100 -0.009 0.000 0.986 386 G HN 0.885 nan 8.290 nan 0.000 0.548 387 V N -2.143 117.767 119.914 -0.008 0.000 3.013 387 V HA 0.696 4.816 4.120 0.000 0.000 0.238 387 V C 2.003 178.094 176.094 -0.005 0.000 1.161 387 V CA 1.797 64.094 62.300 -0.005 0.000 1.170 387 V CB 0.269 32.090 31.823 -0.004 0.000 0.917 387 V HN 2.218 nan 8.190 nan 0.000 0.478 388 A N -0.300 122.515 122.820 -0.009 0.000 2.622 388 A HA 0.456 4.776 4.320 0.000 0.000 0.283 388 A C 0.524 178.092 177.584 -0.026 0.000 0.998 388 A CA 0.032 52.063 52.037 -0.010 0.000 0.985 388 A CB 0.118 19.117 19.000 -0.001 0.000 1.236 388 A HN 0.288 nan 8.150 nan 0.000 0.559 389 T N 2.128 116.663 114.554 -0.031 0.000 2.817 389 T HA 0.540 4.890 4.350 0.000 0.000 0.293 389 T C 0.269 174.944 174.700 -0.042 0.000 0.964 389 T CA 0.537 62.605 62.100 -0.052 0.000 1.085 389 T CB 0.989 69.829 68.868 -0.046 0.000 0.921 389 T HN 0.713 nan 8.240 nan 0.000 0.502 390 S N 1.988 117.650 115.700 -0.063 0.000 2.627 390 S HA 0.804 5.274 4.470 0.000 0.000 0.283 390 S C -0.978 173.592 174.600 -0.050 0.000 1.127 390 S CA -0.828 57.350 58.200 -0.037 0.000 0.863 390 S CB 2.162 65.343 63.200 -0.031 0.000 1.121 390 S HN 0.474 nan 8.310 nan 0.000 0.479 391 T N 2.063 116.621 114.554 0.006 0.000 3.050 391 T HA 0.428 4.778 4.350 0.000 0.000 0.310 391 T C -1.196 173.559 174.700 0.092 0.000 0.978 391 T CA -0.625 61.493 62.100 0.030 0.000 1.013 391 T CB 0.460 69.388 68.868 0.100 0.000 1.000 391 T HN 0.737 nan 8.240 nan 0.000 0.447 392 N N 3.702 122.390 118.700 -0.020 0.000 2.434 392 N HA 0.580 5.320 4.740 0.000 0.000 0.272 392 N C -0.498 174.993 175.510 -0.032 0.000 1.040 392 N CA -0.866 52.124 53.050 -0.100 0.000 0.956 392 N CB 1.286 39.711 38.487 -0.104 0.000 1.108 392 N HN 0.587 nan 8.380 nan 0.000 0.481 393 W N 1.114 122.380 121.300 -0.057 0.000 2.962 393 W HA 0.543 5.203 4.660 0.000 0.000 0.341 393 W C -1.115 175.370 176.519 -0.056 0.000 1.155 393 W CA -0.754 56.531 57.345 -0.100 0.000 1.165 393 W CB 0.751 30.161 29.460 -0.084 0.000 1.435 393 W HN 0.311 nan 8.180 nan 0.000 0.546 394 Q N 0.266 120.198 119.800 0.219 0.000 2.445 394 Q HA 0.478 4.818 4.340 0.000 0.000 0.281 394 Q C 0.480 176.760 176.000 0.467 0.000 1.101 394 Q CA -0.301 55.690 55.803 0.312 0.000 0.833 394 Q CB 3.372 32.281 28.738 0.285 0.000 1.416 394 Q HN 0.593 nan 8.270 nan 0.000 0.451 395 T N -3.026 111.785 114.554 0.428 0.000 3.478 395 T HA 0.104 4.454 4.350 0.000 0.000 0.223 395 T C -0.529 174.315 174.700 0.240 0.000 0.958 395 T CA -0.253 62.043 62.100 0.328 0.000 1.324 395 T CB 0.019 69.058 68.868 0.286 0.000 1.262 395 T HN 0.624 nan 8.240 nan 0.000 0.379 396 E N 1.515 121.818 120.200 0.170 0.000 2.246 396 E HA -0.129 4.221 4.350 0.000 0.000 0.211 396 E C -0.411 176.176 176.600 -0.021 0.000 1.278 396 E CA 0.644 57.098 56.400 0.089 0.000 0.694 396 E CB -2.043 27.785 29.700 0.213 0.000 1.166 396 E HN 0.575 nan 8.360 nan 0.000 0.370 397 S N -0.484 115.095 115.700 -0.202 0.000 2.600 397 S HA 0.854 5.324 4.470 0.000 0.000 0.300 397 S C -0.874 173.495 174.600 -0.385 0.000 1.087 397 S CA -0.657 57.475 58.200 -0.114 0.000 0.965 397 S CB 1.114 64.290 63.200 -0.041 0.000 1.089 397 S HN 0.180 nan 8.310 nan 0.000 0.496 398 F N 1.092 121.177 119.950 0.225 0.000 2.613 398 F HA 0.562 5.089 4.527 0.000 0.000 0.310 398 F C -0.065 175.997 175.800 0.438 0.000 1.085 398 F CA -0.659 57.467 58.000 0.209 0.000 0.945 398 F CB 2.212 40.968 39.000 -0.407 0.000 1.298 398 F HN 0.571 nan 8.300 nan 0.000 0.455 399 Q N 1.067 121.291 119.800 0.706 0.000 2.372 399 Q HA 0.592 4.933 4.340 0.000 0.000 0.273 399 Q C -0.848 175.458 176.000 0.510 0.000 1.078 399 Q CA -0.756 55.390 55.803 0.572 0.000 0.806 399 Q CB 2.513 31.573 28.738 0.537 0.000 1.332 399 Q HN 0.860 nan 8.270 nan 0.000 0.435 400 T N -1.037 113.700 114.554 0.305 0.000 2.862 400 T HA 0.215 4.565 4.350 0.000 0.000 0.276 400 T C 1.345 176.121 174.700 0.127 0.000 0.974 400 T CA 0.186 62.363 62.100 0.128 0.000 0.966 400 T CB 0.953 69.768 68.868 -0.088 0.000 1.072 400 T HN 0.790 nan 8.240 nan 0.000 0.538 401 T N -0.709 113.916 114.554 0.119 0.000 2.822 401 T HA -0.068 4.282 4.350 0.000 0.000 0.270 401 T C 0.894 175.646 174.700 0.088 0.000 1.064 401 T CA 0.585 62.770 62.100 0.141 0.000 1.131 401 T CB -0.613 68.378 68.868 0.205 0.000 0.858 401 T HN 0.543 nan 8.240 nan 0.000 0.483 402 L N 1.490 122.747 121.223 0.058 0.000 2.334 402 L HA 0.337 4.677 4.340 0.000 0.000 0.277 402 L C 0.674 177.577 176.870 0.055 0.000 1.075 402 L CA -0.528 54.336 54.840 0.040 0.000 0.804 402 L CB 1.251 43.319 42.059 0.014 0.000 1.174 402 L HN 0.073 nan 8.230 nan 0.000 0.438 403 S N 4.629 120.358 115.700 0.049 0.000 2.776 403 S HA 0.041 4.511 4.470 0.000 0.000 0.242 403 S C 0.568 175.211 174.600 0.072 0.000 0.977 403 S CA 0.058 58.295 58.200 0.063 0.000 0.985 403 S CB -0.824 62.399 63.200 0.039 0.000 0.782 403 S HN 0.329 nan 8.310 nan 0.000 0.542 404 L N 2.550 123.816 121.223 0.072 0.000 2.418 404 L HA 0.263 4.603 4.340 0.000 0.000 0.274 404 L C 0.674 177.632 176.870 0.146 0.000 1.135 404 L CA 0.525 55.411 54.840 0.076 0.000 0.870 404 L CB 0.207 42.293 42.059 0.045 0.000 1.154 404 L HN 0.256 nan 8.230 nan 0.000 0.462 405 R N 3.773 124.347 120.500 0.122 0.000 2.670 405 R HA 0.665 5.005 4.340 0.000 0.000 0.289 405 R C -0.968 175.409 176.300 0.129 0.000 0.965 405 R CA -0.408 55.788 56.100 0.159 0.000 0.899 405 R CB 1.877 32.200 30.300 0.038 0.000 1.173 405 R HN 0.857 nan 8.270 nan 0.000 0.456 406 c N 0.590 119.313 118.600 0.205 0.000 3.332 406 c HA 1.025 5.595 4.570 0.000 0.000 0.329 406 c C -0.006 174.188 174.090 0.173 0.000 1.434 406 c CA 0.075 56.495 56.329 0.152 0.000 1.314 406 c CB 1.059 43.687 42.510 0.198 0.000 1.664 406 c HN 1.072 nan 8.230 nan 0.000 0.457 407 G N -0.514 108.333 108.800 0.078 0.000 2.352 407 G HA2 0.594 4.555 3.960 0.000 0.000 0.283 407 G HA3 0.594 4.555 3.960 0.000 0.000 0.283 407 G C 0.297 174.955 174.900 -0.402 0.000 1.308 407 G CA 0.221 45.358 45.100 0.061 0.000 0.892 407 G HN 2.001 nan 8.290 nan 0.000 0.504 408 A N -0.984 121.546 122.820 -0.484 0.000 1.854 408 A HA 0.642 4.963 4.320 0.000 0.000 0.214 408 A C 0.669 177.501 177.584 -1.254 0.000 1.192 408 A CA 1.627 53.006 52.037 -1.097 0.000 0.611 408 A CB -0.324 18.302 19.000 -0.623 0.000 0.832 408 A HN 0.927 nan 8.150 nan 0.000 0.442 409 F N -2.370 117.455 119.950 -0.208 0.000 2.664 409 F HA 0.459 4.986 4.527 0.000 0.000 0.317 409 F C 0.592 176.259 175.800 -0.222 0.000 1.108 409 F CA -0.884 56.992 58.000 -0.206 0.000 0.957 409 F CB 1.180 40.093 39.000 -0.146 0.000 1.365 409 F HN -0.180 nan 8.300 nan 0.000 0.475 410 S N 0.972 116.642 115.700 -0.050 0.000 2.561 410 S HA 0.315 4.785 4.470 0.000 0.000 0.294 410 S C 0.072 174.494 174.600 -0.296 0.000 1.294 410 S CA -0.325 57.749 58.200 -0.209 0.000 1.055 410 S CB 0.319 63.380 63.200 -0.232 0.000 0.819 410 S HN 0.731 nan 8.310 nan 0.000 0.503 411 A N 3.528 126.042 122.820 -0.510 0.000 2.388 411 A HA 0.637 4.957 4.320 0.000 0.000 0.257 411 A C 0.487 177.715 177.584 -0.594 0.000 1.095 411 A CA -0.459 51.077 52.037 -0.836 0.000 0.791 411 A CB 0.164 18.067 19.000 -1.828 0.000 1.029 411 A HN 0.921 nan 8.150 nan 0.000 0.489 412 R N 0.884 121.166 120.500 -0.364 0.000 2.828 412 R HA 0.613 4.953 4.340 0.000 0.000 0.280 412 R C 0.138 176.500 176.300 0.103 0.000 1.020 412 R CA -0.413 55.581 56.100 -0.177 0.000 0.855 412 R CB -0.083 29.967 30.300 -0.417 0.000 1.278 412 R HN 2.515 nan 8.270 nan 0.000 0.495 413 G N 0.935 109.792 108.800 0.094 0.000 2.681 413 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 413 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 413 G C -1.185 173.799 174.900 0.140 0.000 1.353 413 G CA -0.311 44.883 45.100 0.156 0.000 0.872 413 G HN 0.732 nan 8.290 nan 0.000 0.557 414 N N 0.746 119.453 118.700 0.012 0.000 2.492 414 N HA 0.431 5.171 4.740 0.000 0.000 0.262 414 N C 0.680 176.097 175.510 -0.156 0.000 1.202 414 N CA 0.764 53.733 53.050 -0.135 0.000 0.926 414 N CB 1.291 39.504 38.487 -0.456 0.000 1.078 414 N HN 1.106 nan 8.380 nan 0.000 0.454 415 S N 1.521 117.055 115.700 -0.276 0.000 2.565 415 S HA 0.423 4.893 4.470 0.000 0.000 0.290 415 S C -0.412 173.965 174.600 -0.371 0.000 1.150 415 S CA -1.040 56.751 58.200 -0.682 0.000 1.058 415 S CB 1.307 63.909 63.200 -0.997 0.000 1.032 415 S HN 0.382 nan 8.310 nan 0.000 0.510 416 N N 2.048 120.540 118.700 -0.348 0.000 2.424 416 N HA 0.459 5.199 4.740 0.000 0.000 0.271 416 N C -1.466 173.962 175.510 -0.137 0.000 0.985 416 N CA -0.211 52.723 53.050 -0.193 0.000 0.921 416 N CB 1.348 39.837 38.487 0.005 0.000 1.149 416 N HN 0.830 nan 8.380 nan 0.000 0.492 417 Y N 1.943 121.881 120.300 -0.603 0.000 2.573 417 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 417 Y C -2.260 173.147 175.900 -0.821 0.000 1.170 417 Y CA -1.042 56.800 58.100 -0.428 0.000 1.078 417 Y CB 0.916 39.249 38.460 -0.212 0.000 1.341 417 Y HN 0.371 nan 8.280 nan 0.000 0.459 418 F N 4.806 124.043 119.950 -1.187 0.000 2.581 418 F HA 0.590 5.117 4.527 0.000 0.000 0.311 418 F C -2.536 172.356 175.800 -1.514 0.000 1.113 418 F CA -2.366 54.804 58.000 -1.383 0.000 0.935 418 F CB 2.055 40.322 39.000 -1.222 0.000 1.232 418 F HN 0.245 nan 8.300 nan 0.000 0.445 419 P HA 0.021 nan 4.420 nan 0.000 0.262 419 P C -0.140 176.944 177.300 -0.360 0.000 1.182 419 P CA 0.900 63.459 63.100 -0.901 0.000 0.761 419 P CB 0.348 31.215 31.700 -1.388 0.000 0.795 420 D N -0.765 119.490 120.400 -0.242 0.000 3.059 420 D HA -0.227 4.413 4.640 0.000 0.000 0.213 420 D C -0.425 175.670 176.300 -0.342 0.000 1.144 420 D CA 1.426 55.314 54.000 -0.187 0.000 0.975 420 D CB -1.423 39.398 40.800 0.033 0.000 1.125 420 D HN 0.420 nan 8.370 nan 0.000 0.412 421 Y N -0.672 119.357 120.300 -0.451 0.000 2.360 421 Y HA 0.527 5.077 4.550 0.000 0.000 0.337 421 Y C 0.481 176.187 175.900 -0.323 0.000 1.039 421 Y CA -0.595 57.355 58.100 -0.251 0.000 1.109 421 Y CB 0.977 39.380 38.460 -0.095 0.000 1.201 421 Y HN -0.270 nan 8.280 nan 0.000 0.458 422 F N 2.583 122.653 119.950 0.199 0.000 2.507 422 F HA 0.502 5.029 4.527 0.000 0.000 0.327 422 F C -0.089 175.777 175.800 0.111 0.000 1.068 422 F CA -1.074 57.025 58.000 0.166 0.000 0.965 422 F CB 1.139 40.196 39.000 0.094 0.000 1.192 422 F HN 0.201 nan 8.300 nan 0.000 0.476 423 I N 3.970 124.687 120.570 0.244 0.000 2.311 423 I HA 0.159 4.329 4.170 0.000 0.000 0.297 423 I C 0.888 177.084 176.117 0.131 0.000 1.131 423 I CA -0.123 61.191 61.300 0.024 0.000 1.289 423 I CB 0.278 38.289 38.000 0.018 0.000 1.446 423 I HN 0.519 nan 8.210 nan 0.000 0.524 424 R N 3.025 123.595 120.500 0.117 0.000 2.297 424 R HA 0.195 4.535 4.340 0.000 0.000 0.197 424 R C 0.003 176.377 176.300 0.124 0.000 0.943 424 R CA 0.091 56.256 56.100 0.109 0.000 1.038 424 R CB -0.611 29.747 30.300 0.098 0.000 0.957 424 R HN 0.539 nan 8.270 nan 0.000 0.484 425 N N -0.485 118.278 118.700 0.105 0.000 2.859 425 N HA 0.381 5.121 4.740 0.000 0.000 0.250 425 N C -1.694 173.847 175.510 0.052 0.000 1.341 425 N CA -0.516 52.615 53.050 0.136 0.000 0.881 425 N CB 1.599 40.214 38.487 0.213 0.000 1.516 425 N HN -0.171 nan 8.380 nan 0.000 0.503 426 I N 0.538 121.116 120.570 0.014 0.000 2.647 426 I HA 0.547 4.717 4.170 0.000 0.000 0.295 426 I C -0.016 176.125 176.117 0.040 0.000 1.078 426 I CA -0.447 60.825 61.300 -0.045 0.000 1.048 426 I CB 2.008 39.831 38.000 -0.295 0.000 1.239 426 I HN 0.461 nan 8.210 nan 0.000 0.421 427 S N 2.416 118.151 115.700 0.058 0.000 3.144 427 S HA 0.988 5.458 4.470 0.000 0.000 0.325 427 S C -0.821 173.842 174.600 0.105 0.000 1.161 427 S CA -0.063 58.204 58.200 0.112 0.000 0.920 427 S CB 1.980 65.309 63.200 0.214 0.000 1.340 427 S HN 1.026 nan 8.310 nan 0.000 0.681 428 G N -0.457 108.453 108.800 0.182 0.000 2.328 428 G HA2 0.501 4.461 3.960 0.000 0.000 0.295 428 G HA3 0.501 4.461 3.960 0.000 0.000 0.295 428 G C -1.480 173.609 174.900 0.315 0.000 1.413 428 G CA 0.143 45.371 45.100 0.213 0.000 0.817 428 G HN 1.623 nan 8.290 nan 0.000 0.546 429 V N -2.486 117.630 119.914 0.337 0.000 3.007 429 V HA 0.976 5.096 4.120 0.000 0.000 0.311 429 V C -2.682 173.620 176.094 0.347 0.000 1.120 429 V CA -2.192 60.328 62.300 0.366 0.000 0.980 429 V CB 2.441 34.525 31.823 0.435 0.000 1.033 429 V HN 0.821 nan 8.190 nan 0.000 0.429 430 P HA 0.278 nan 4.420 nan 0.000 0.282 430 P C 0.727 178.246 177.300 0.364 0.000 1.287 430 P CA -0.444 62.804 63.100 0.247 0.000 0.792 430 P CB 1.535 33.342 31.700 0.178 0.000 1.163 431 L N 0.815 122.245 121.223 0.343 0.000 2.043 431 L HA -0.084 4.257 4.340 0.000 0.000 0.212 431 L C 0.393 177.402 176.870 0.231 0.000 1.075 431 L CA 2.121 57.188 54.840 0.380 0.000 0.752 431 L CB -0.383 41.848 42.059 0.287 0.000 0.891 431 L HN 0.103 nan 8.230 nan 0.000 0.432 432 V N 0.544 120.564 119.914 0.178 0.000 2.525 432 V HA 0.326 4.446 4.120 0.000 0.000 0.299 432 V C -0.222 175.947 176.094 0.126 0.000 1.034 432 V CA -0.811 61.561 62.300 0.121 0.000 0.863 432 V CB 1.698 33.556 31.823 0.060 0.000 0.999 432 V HN -0.014 nan 8.190 nan 0.000 0.423 433 I N 4.831 125.491 120.570 0.149 0.000 2.342 433 I HA 0.417 4.587 4.170 0.000 0.000 0.291 433 I C 0.818 176.939 176.117 0.007 0.000 1.010 433 I CA -0.467 60.897 61.300 0.107 0.000 1.308 433 I CB 0.852 38.958 38.000 0.177 0.000 1.400 433 I HN 0.546 nan 8.210 nan 0.000 0.488 434 R N 4.549 125.028 120.500 -0.034 0.000 2.679 434 R HA 0.046 4.386 4.340 0.000 0.000 0.268 434 R C 0.683 176.918 176.300 -0.107 0.000 1.044 434 R CA -0.467 55.599 56.100 -0.056 0.000 1.105 434 R CB 0.265 30.537 30.300 -0.047 0.000 0.989 434 R HN 0.554 nan 8.270 nan 0.000 0.447 435 N N 2.180 120.833 118.700 -0.080 0.000 2.289 435 N HA -0.139 4.601 4.740 0.000 0.000 0.184 435 N C 0.958 176.403 175.510 -0.109 0.000 1.016 435 N CA 1.214 54.211 53.050 -0.088 0.000 0.872 435 N CB 0.086 38.540 38.487 -0.054 0.000 0.973 435 N HN 0.534 nan 8.380 nan 0.000 0.433 436 E N 0.478 120.622 120.200 -0.092 0.000 2.204 436 E HA -0.096 4.254 4.350 0.000 0.000 0.195 436 E C 1.147 177.670 176.600 -0.129 0.000 0.990 436 E CA 0.804 57.156 56.400 -0.080 0.000 0.821 436 E CB 0.035 29.707 29.700 -0.047 0.000 0.750 436 E HN 0.311 nan 8.360 nan 0.000 0.477 437 D N -0.188 120.074 120.400 -0.229 0.000 2.162 437 D HA 0.005 4.645 4.640 0.000 0.000 0.205 437 D C 1.902 177.734 176.300 -0.780 0.000 0.964 437 D CA 0.506 54.257 54.000 -0.415 0.000 0.847 437 D CB 0.014 40.530 40.800 -0.473 0.000 0.988 437 D HN 0.163 nan 8.370 nan 0.000 0.480 438 L N 0.536 121.337 121.223 -0.704 0.000 2.191 438 L HA -0.126 4.214 4.340 0.000 0.000 0.212 438 L C 2.374 179.128 176.870 -0.194 0.000 1.103 438 L CA 0.998 55.515 54.840 -0.538 0.000 0.769 438 L CB -0.324 41.609 42.059 -0.208 0.000 0.908 438 L HN 0.038 nan 8.230 nan 0.000 0.438 439 T N -0.713 113.754 114.554 -0.145 0.000 3.100 439 T HA 0.067 4.417 4.350 0.000 0.000 0.253 439 T C 0.807 175.497 174.700 -0.017 0.000 1.118 439 T CA 0.082 62.151 62.100 -0.051 0.000 1.058 439 T CB 0.013 68.856 68.868 -0.041 0.000 0.953 439 T HN 0.200 nan 8.240 nan 0.000 0.515 440 R N 2.041 122.538 120.500 -0.005 0.000 2.443 440 R HA 0.363 4.703 4.340 0.000 0.000 0.287 440 R C -2.955 173.453 176.300 0.179 0.000 1.425 440 R CA -1.765 54.375 56.100 0.068 0.000 1.300 440 R CB 1.633 31.969 30.300 0.061 0.000 1.129 440 R HN 0.211 nan 8.270 nan 0.000 0.577 441 P HA -0.051 nan 4.420 nan 0.000 0.267 441 P C -0.555 176.837 177.300 0.153 0.000 1.200 441 P CA -0.206 62.960 63.100 0.110 0.000 0.772 441 P CB 0.589 32.261 31.700 -0.048 0.000 0.855 442 L N 3.157 124.387 121.223 0.013 0.000 2.436 442 L HA 0.229 4.570 4.340 0.000 0.000 0.265 442 L C 1.182 178.079 176.870 0.046 0.000 1.168 442 L CA 0.127 54.944 54.840 -0.037 0.000 0.815 442 L CB -0.349 41.582 42.059 -0.213 0.000 1.109 442 L HN 0.563 nan 8.230 nan 0.000 0.462 443 H N -0.237 118.807 119.070 -0.044 0.000 2.497 443 H HA 0.313 4.869 4.556 0.000 0.000 0.348 443 H C -0.677 174.543 175.328 -0.180 0.000 1.335 443 H CA -1.012 54.797 56.048 -0.398 0.000 1.395 443 H CB -0.133 29.209 29.762 -0.699 0.000 1.658 443 H HN 0.456 nan 8.280 nan 0.000 0.613 444 Y N 1.086 121.366 120.300 -0.032 0.000 2.802 444 Y HA -0.127 4.423 4.550 0.000 0.000 0.333 444 Y C 0.523 176.463 175.900 0.067 0.000 1.244 444 Y CA 1.277 59.394 58.100 0.028 0.000 1.558 444 Y CB -0.628 37.851 38.460 0.031 0.000 1.233 444 Y HN 0.984 nan 8.280 nan 0.000 0.547 445 N N 2.866 121.286 118.700 -0.466 0.000 2.696 445 N HA -0.374 4.366 4.740 0.000 0.000 0.249 445 N C -0.354 175.015 175.510 -0.235 0.000 1.090 445 N CA 0.740 53.575 53.050 -0.358 0.000 0.716 445 N CB -0.519 37.780 38.487 -0.313 0.000 1.020 445 N HN 0.761 nan 8.380 nan 0.000 0.548 446 Q N 1.092 120.637 119.800 -0.424 0.000 2.313 446 Q HA 0.199 4.539 4.340 0.000 0.000 0.266 446 Q C -0.334 175.501 176.000 -0.276 0.000 0.989 446 Q CA -0.006 55.445 55.803 -0.586 0.000 0.890 446 Q CB 0.577 28.632 28.738 -1.138 0.000 1.200 446 Q HN 0.177 nan 8.270 nan 0.000 0.396 447 I N 5.540 126.017 120.570 -0.155 0.000 2.307 447 I HA 0.356 4.526 4.170 0.000 0.000 0.287 447 I C -0.041 176.043 176.117 -0.054 0.000 1.054 447 I CA 0.148 61.394 61.300 -0.090 0.000 1.218 447 I CB 0.458 38.422 38.000 -0.061 0.000 1.398 447 I HN 0.711 nan 8.210 nan 0.000 0.475 448 R N 4.851 125.327 120.500 -0.040 0.000 2.628 448 R HA 0.403 4.743 4.340 0.000 0.000 0.288 448 R C -0.793 175.526 176.300 0.032 0.000 0.980 448 R CA -0.778 55.324 56.100 0.003 0.000 0.891 448 R CB 1.841 32.150 30.300 0.015 0.000 1.188 448 R HN 0.429 nan 8.270 nan 0.000 0.450 449 N N 4.354 123.079 118.700 0.042 0.000 2.430 449 N HA 0.170 4.910 4.740 0.000 0.000 0.265 449 N C -0.411 175.148 175.510 0.081 0.000 1.100 449 N CA -0.007 53.078 53.050 0.057 0.000 0.961 449 N CB 0.881 39.395 38.487 0.045 0.000 1.075 449 N HN 0.405 nan 8.380 nan 0.000 0.478 450 I N 1.740 122.376 120.570 0.109 0.000 2.310 450 I HA 0.236 4.406 4.170 0.000 0.000 0.287 450 I C 0.712 176.904 176.117 0.124 0.000 1.073 450 I CA -0.240 61.146 61.300 0.144 0.000 1.216 450 I CB -0.195 37.941 38.000 0.227 0.000 1.415 450 I HN 0.475 nan 8.210 nan 0.000 0.480 451 E N 3.516 123.772 120.200 0.093 0.000 2.281 451 E HA 0.473 4.823 4.350 0.000 0.000 0.262 451 E C -0.591 176.054 176.600 0.076 0.000 0.933 451 E CA -0.566 55.884 56.400 0.083 0.000 0.809 451 E CB 1.876 31.614 29.700 0.064 0.000 1.242 451 E HN 0.418 nan 8.360 nan 0.000 0.418 452 S N 2.475 118.221 115.700 0.076 0.000 2.579 452 S HA 0.180 4.650 4.470 0.000 0.000 0.275 452 S C -2.342 172.285 174.600 0.044 0.000 1.345 452 S CA -0.881 57.360 58.200 0.068 0.000 1.031 452 S CB 0.577 63.821 63.200 0.072 0.000 0.892 452 S HN 0.385 nan 8.310 nan 0.000 0.529 453 P HA 0.097 nan 4.420 nan 0.000 0.268 453 P C -0.508 176.804 177.300 0.020 0.000 1.208 453 P CA -0.062 63.050 63.100 0.019 0.000 0.777 453 P CB 0.398 32.103 31.700 0.010 0.000 0.875 454 S N 1.219 116.928 115.700 0.015 0.000 2.558 454 S HA 0.313 4.783 4.470 0.000 0.000 0.288 454 S C 1.481 176.089 174.600 0.012 0.000 1.318 454 S CA 1.382 59.590 58.200 0.015 0.000 1.056 454 S CB -0.660 62.546 63.200 0.011 0.000 0.853 454 S HN 0.893 nan 8.310 nan 0.000 0.505 455 G N 2.180 110.988 108.800 0.013 0.000 2.176 455 G HA2 -0.216 3.744 3.960 0.000 0.000 0.232 455 G HA3 -0.216 3.744 3.960 0.000 0.000 0.232 455 G C 0.483 175.391 174.900 0.014 0.000 0.986 455 G CA 0.435 45.541 45.100 0.010 0.000 0.643 455 G HN 0.716 nan 8.290 nan 0.000 0.522 456 T N -0.372 114.195 114.554 0.021 0.000 3.029 456 T HA 0.252 4.602 4.350 0.000 0.000 0.256 456 T C -1.036 173.687 174.700 0.037 0.000 0.914 456 T CA 1.103 63.220 62.100 0.029 0.000 0.880 456 T CB 1.108 69.996 68.868 0.034 0.000 1.246 456 T HN 0.436 nan 8.240 nan 0.000 0.523 457 P HA 0.587 nan 4.420 nan 0.000 0.325 457 P C 1.275 178.596 177.300 0.035 0.000 1.382 457 P CA 0.742 63.866 63.100 0.040 0.000 0.863 457 P CB -0.032 31.693 31.700 0.041 0.000 2.140 458 G N -1.486 107.334 108.800 0.035 0.000 3.206 458 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 458 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 458 G C 1.137 176.061 174.900 0.039 0.000 1.350 458 G CA 0.756 45.875 45.100 0.032 0.000 0.836 458 G HN 0.859 nan 8.290 nan 0.000 0.548 459 G N -0.027 108.799 108.800 0.042 0.000 2.759 459 G HA2 0.617 4.577 3.960 0.000 0.000 0.197 459 G HA3 0.617 4.577 3.960 0.000 0.000 0.197 459 G C 1.266 176.195 174.900 0.048 0.000 1.067 459 G CA 1.910 47.040 45.100 0.049 0.000 0.742 459 G HN 2.339 nan 8.290 nan 0.000 0.651 460 A N -0.176 122.671 122.820 0.045 0.000 6.152 460 A HA -0.055 4.265 4.320 0.000 0.000 0.308 460 A C 0.151 177.747 177.584 0.021 0.000 1.919 460 A CA 1.201 53.265 52.037 0.045 0.000 0.811 460 A CB -0.641 18.390 19.000 0.051 0.000 1.220 460 A HN 0.571 nan 8.150 nan 0.000 0.409 461 R N -1.204 119.291 120.500 -0.009 0.000 2.740 461 R HA 0.725 5.065 4.340 0.000 0.000 0.273 461 R C -0.659 175.500 176.300 -0.236 0.000 0.998 461 R CA 0.093 56.095 56.100 -0.163 0.000 0.900 461 R CB 2.051 32.209 30.300 -0.237 0.000 1.223 461 R HN 1.891 nan 8.270 nan 0.000 0.466 462 A N 2.240 124.838 122.820 -0.370 0.000 2.335 462 A HA 0.670 4.991 4.320 0.000 0.000 0.304 462 A C -1.565 175.807 177.584 -0.353 0.000 1.118 462 A CA -0.568 51.339 52.037 -0.217 0.000 0.757 462 A CB 0.691 19.656 19.000 -0.058 0.000 1.188 462 A HN 0.629 nan 8.150 nan 0.000 0.460 463 Y N 3.178 123.574 120.300 0.160 0.000 2.345 463 Y HA 0.440 4.990 4.550 0.000 0.000 0.331 463 Y C 0.206 176.204 175.900 0.164 0.000 0.959 463 Y CA -0.567 57.630 58.100 0.162 0.000 1.204 463 Y CB 1.302 39.859 38.460 0.161 0.000 1.135 463 Y HN 0.542 nan 8.280 nan 0.000 0.477 464 L N 3.759 125.150 121.223 0.280 0.000 2.436 464 L HA 0.482 4.822 4.340 0.000 0.000 0.265 464 L C -0.348 176.640 176.870 0.196 0.000 1.168 464 L CA -0.895 54.089 54.840 0.241 0.000 0.815 464 L CB 0.594 42.850 42.059 0.328 0.000 1.109 464 L HN 0.288 nan 8.230 nan 0.000 0.462 465 V N 0.806 120.783 119.914 0.106 0.000 2.531 465 V HA 0.284 4.404 4.120 0.000 0.000 0.301 465 V C -0.084 176.066 176.094 0.094 0.000 1.034 465 V CA -0.580 61.715 62.300 -0.009 0.000 0.865 465 V CB 1.990 33.518 31.823 -0.491 0.000 0.995 465 V HN 0.903 nan 8.190 nan 0.000 0.424 466 S N 4.122 119.946 115.700 0.207 0.000 2.508 466 S HA 0.723 5.193 4.470 0.000 0.000 0.284 466 S C -0.610 174.112 174.600 0.202 0.000 1.192 466 S CA -0.701 57.628 58.200 0.216 0.000 1.070 466 S CB 1.625 64.997 63.200 0.288 0.000 1.004 466 S HN 0.436 nan 8.310 nan 0.000 0.493 467 V N 4.792 124.753 119.914 0.078 0.000 2.328 467 V HA 0.347 4.467 4.120 0.000 0.000 0.278 467 V C -0.062 176.027 176.094 -0.008 0.000 1.021 467 V CA -0.584 61.773 62.300 0.094 0.000 0.838 467 V CB 0.130 32.041 31.823 0.146 0.000 0.999 467 V HN 0.896 nan 8.190 nan 0.000 0.447 468 H N 4.638 123.737 119.070 0.048 0.000 2.467 468 H HA 0.500 5.056 4.556 0.000 0.000 0.326 468 H C -0.477 174.967 175.328 0.193 0.000 1.094 468 H CA -0.437 55.709 56.048 0.163 0.000 1.253 468 H CB 2.090 31.965 29.762 0.188 0.000 1.439 468 H HN 0.597 nan 8.280 nan 0.000 0.479 469 N N 1.384 120.285 118.700 0.335 0.000 2.396 469 N HA 0.084 4.824 4.740 0.000 0.000 0.275 469 N C 0.468 175.963 175.510 -0.024 0.000 1.218 469 N CA -0.603 52.533 53.050 0.144 0.000 0.812 469 N CB 2.194 40.744 38.487 0.104 0.000 1.592 469 N HN 0.545 nan 8.380 nan 0.000 0.480 470 R N 0.567 120.855 120.500 -0.353 0.000 2.189 470 R HA -0.040 4.300 4.340 0.000 0.000 0.218 470 R C 0.090 176.384 176.300 -0.009 0.000 1.074 470 R CA 0.421 56.313 56.100 -0.347 0.000 0.991 470 R CB -0.176 29.779 30.300 -0.574 0.000 0.883 470 R HN 0.357 nan 8.270 nan 0.000 0.457 471 K N 1.623 122.032 120.400 0.015 0.000 2.472 471 K HA -0.194 4.126 4.320 0.000 0.000 0.269 471 K C 0.297 176.873 176.600 -0.040 0.000 1.056 471 K CA 0.816 57.123 56.287 0.034 0.000 1.158 471 K CB 0.076 32.622 32.500 0.078 0.000 0.821 471 K HN 0.012 nan 8.250 nan 0.000 0.486 472 N N 1.939 120.579 118.700 -0.100 0.000 1.921 472 N HA -0.044 4.696 4.740 0.000 0.000 0.237 472 N C -1.109 174.232 175.510 -0.281 0.000 1.352 472 N CA 0.098 53.007 53.050 -0.236 0.000 0.805 472 N CB 0.019 38.441 38.487 -0.109 0.000 1.159 472 N HN 0.676 nan 8.380 nan 0.000 0.473 473 N N 2.174 120.711 118.700 -0.271 0.000 3.193 473 N HA 0.057 4.797 4.740 0.000 0.000 0.312 473 N C -0.710 174.654 175.510 -0.244 0.000 1.261 473 N CA 0.145 52.940 53.050 -0.425 0.000 1.208 473 N CB -0.631 37.635 38.487 -0.369 0.000 1.471 473 N HN 0.329 nan 8.380 nan 0.000 0.548 474 I N 1.760 122.183 120.570 -0.246 0.000 2.328 474 I HA 0.097 4.267 4.170 0.000 0.000 0.287 474 I C 0.876 176.913 176.117 -0.134 0.000 1.012 474 I CA -1.038 60.137 61.300 -0.209 0.000 1.195 474 I CB 0.911 38.757 38.000 -0.257 0.000 1.350 474 I HN 0.105 nan 8.210 nan 0.000 0.464 475 Y N 7.530 127.720 120.300 -0.185 0.000 2.114 475 Y HA 0.082 4.632 4.550 0.000 0.000 0.284 475 Y C 0.914 176.747 175.900 -0.113 0.000 1.143 475 Y CA 1.152 59.176 58.100 -0.127 0.000 1.135 475 Y CB 0.254 38.660 38.460 -0.091 0.000 0.980 475 Y HN 0.635 nan 8.280 nan 0.000 0.499 476 A N -1.244 121.421 122.820 -0.259 0.000 2.456 476 A HA 0.684 5.004 4.320 0.000 0.000 0.294 476 A C -1.432 176.049 177.584 -0.171 0.000 1.057 476 A CA -0.603 51.243 52.037 -0.319 0.000 0.623 476 A CB -0.514 18.184 19.000 -0.503 0.000 1.338 476 A HN 0.631 nan 8.150 nan 0.000 0.464 477 A N 0.795 123.527 122.820 -0.146 0.000 2.331 477 A HA 0.587 4.907 4.320 0.000 0.000 0.283 477 A C 0.332 177.879 177.584 -0.062 0.000 1.142 477 A CA -0.328 51.651 52.037 -0.096 0.000 0.812 477 A CB -0.046 18.914 19.000 -0.066 0.000 1.074 477 A HN 0.804 nan 8.150 nan 0.000 0.497 478 N N 0.534 119.201 118.700 -0.054 0.000 2.317 478 N HA -0.025 4.715 4.740 0.000 0.000 0.245 478 N C 1.437 176.940 175.510 -0.012 0.000 1.294 478 N CA 0.416 53.451 53.050 -0.024 0.000 0.924 478 N CB 0.508 38.972 38.487 -0.037 0.000 1.186 478 N HN 0.751 nan 8.380 nan 0.000 0.495 479 E N -0.144 120.057 120.200 0.002 0.000 2.209 479 E HA -0.241 4.109 4.350 0.000 0.000 0.196 479 E C 0.591 177.206 176.600 0.024 0.000 0.993 479 E CA 1.190 57.597 56.400 0.011 0.000 0.819 479 E CB -0.353 29.355 29.700 0.013 0.000 0.745 479 E HN 0.594 nan 8.360 nan 0.000 0.477 480 N N 0.436 119.150 118.700 0.023 0.000 2.336 480 N HA 0.034 4.774 4.740 0.000 0.000 0.189 480 N C 1.245 176.837 175.510 0.137 0.000 1.113 480 N CA 0.845 53.934 53.050 0.065 0.000 0.858 480 N CB 0.745 39.259 38.487 0.046 0.000 0.970 480 N HN 0.364 nan 8.380 nan 0.000 0.471 481 G N -0.408 108.438 108.800 0.077 0.000 2.194 481 G HA2 -0.288 3.673 3.960 0.000 0.000 0.236 481 G HA3 -0.288 3.673 3.960 0.000 0.000 0.236 481 G C 0.244 175.140 174.900 -0.008 0.000 0.987 481 G CA 0.485 45.671 45.100 0.143 0.000 0.635 481 G HN 0.798 nan 8.290 nan 0.000 0.520 482 T N -0.975 113.430 114.554 -0.250 0.000 2.824 482 T HA 0.700 5.050 4.350 0.000 0.000 0.277 482 T C 0.890 175.453 174.700 -0.228 0.000 0.975 482 T CA -0.491 61.368 62.100 -0.402 0.000 0.966 482 T CB 1.109 69.677 68.868 -0.501 0.000 1.054 482 T HN 0.292 nan 8.240 nan 0.000 0.533 483 M N 1.265 120.711 119.600 -0.256 0.000 2.228 483 M HA 0.317 4.797 4.480 0.000 0.000 0.351 483 M C -0.361 175.763 176.300 -0.294 0.000 1.233 483 M CA 0.087 55.205 55.300 -0.303 0.000 1.129 483 M CB 0.169 32.492 32.600 -0.462 0.000 1.604 483 M HN 0.474 nan 8.290 nan 0.000 0.457 484 I N 3.558 123.991 120.570 -0.229 0.000 2.330 484 I HA 0.221 4.391 4.170 0.000 0.000 0.289 484 I C -0.030 175.991 176.117 -0.159 0.000 1.001 484 I CA -0.712 60.533 61.300 -0.091 0.000 1.193 484 I CB 0.764 38.810 38.000 0.078 0.000 1.345 484 I HN 0.555 nan 8.210 nan 0.000 0.461 485 H N 6.072 125.179 119.070 0.063 0.000 2.722 485 H HA 0.166 4.722 4.556 0.000 0.000 0.328 485 H C -0.456 174.851 175.328 -0.036 0.000 1.067 485 H CA -0.507 55.563 56.048 0.037 0.000 1.447 485 H CB 1.831 31.662 29.762 0.116 0.000 1.469 485 H HN 0.290 nan 8.280 nan 0.000 0.544 486 L N 3.225 124.454 121.223 0.009 0.000 2.260 486 L HA 0.371 4.711 4.340 0.000 0.000 0.289 486 L C 0.158 176.935 176.870 -0.155 0.000 1.057 486 L CA -0.392 54.413 54.840 -0.058 0.000 0.811 486 L CB 0.351 42.389 42.059 -0.035 0.000 1.184 486 L HN 0.694 nan 8.230 nan 0.000 0.429 487 A N 6.745 129.332 122.820 -0.387 0.000 2.366 487 A HA 0.590 4.910 4.320 0.000 0.000 0.249 487 A C -2.323 175.083 177.584 -0.297 0.000 1.084 487 A CA -1.109 50.423 52.037 -0.842 0.000 0.794 487 A CB -0.614 17.881 19.000 -0.841 0.000 1.034 487 A HN 0.694 nan 8.150 nan 0.000 0.491 488 P HA 0.015 nan 4.420 nan 0.000 0.268 488 P C 0.515 177.686 177.300 -0.216 0.000 1.208 488 P CA -0.001 62.910 63.100 -0.315 0.000 0.777 488 P CB 0.462 32.061 31.700 -0.168 0.000 0.875 489 E N 1.065 121.082 120.200 -0.305 0.000 2.106 489 E HA -0.117 4.233 4.350 0.000 0.000 0.192 489 E C 0.443 177.012 176.600 -0.051 0.000 0.984 489 E CA 1.191 57.513 56.400 -0.130 0.000 0.806 489 E CB -0.296 29.333 29.700 -0.119 0.000 0.750 489 E HN 0.617 nan 8.360 nan 0.000 0.458 490 D N -0.750 119.627 120.400 -0.039 0.000 2.595 490 D HA -0.048 4.592 4.640 0.000 0.000 0.268 490 D C -0.292 176.108 176.300 0.167 0.000 1.181 490 D CA -0.851 53.176 54.000 0.045 0.000 1.085 490 D CB -0.110 40.709 40.800 0.032 0.000 1.186 490 D HN -0.161 nan 8.370 nan 0.000 0.621 491 Y N 0.429 120.739 120.300 0.016 0.000 2.724 491 Y HA 0.303 4.853 4.550 0.000 0.000 0.354 491 Y C -0.696 175.271 175.900 0.112 0.000 1.270 491 Y CA -0.531 57.591 58.100 0.037 0.000 1.902 491 Y CB -1.077 37.362 38.460 -0.036 0.000 1.981 491 Y HN 0.131 nan 8.280 nan 0.000 0.428 492 T N 1.572 116.284 114.554 0.263 0.000 2.863 492 T HA 0.600 4.950 4.350 0.000 0.000 0.285 492 T C 0.482 175.411 174.700 0.382 0.000 1.009 492 T CA -0.360 61.841 62.100 0.167 0.000 0.989 492 T CB 1.545 70.464 68.868 0.086 0.000 1.004 492 T HN 0.622 nan 8.240 nan 0.000 0.455 493 G N 1.144 110.105 108.800 0.269 0.000 2.634 493 G HA2 0.639 4.599 3.960 0.000 0.000 0.255 493 G HA3 0.639 4.599 3.960 0.000 0.000 0.255 493 G C -0.855 174.193 174.900 0.247 0.000 1.205 493 G CA -0.515 44.727 45.100 0.236 0.000 0.884 493 G HN 0.736 nan 8.290 nan 0.000 0.549 494 F N -1.807 118.086 119.950 -0.095 0.000 2.719 494 F HA 0.697 5.224 4.527 0.000 0.000 0.309 494 F C -0.220 175.574 175.800 -0.010 0.000 1.138 494 F CA -0.993 56.975 58.000 -0.052 0.000 0.943 494 F CB 1.246 40.209 39.000 -0.063 0.000 1.304 494 F HN 0.750 nan 8.300 nan 0.000 0.445 495 T N -0.144 114.432 114.554 0.036 0.000 2.950 495 T HA 0.845 5.195 4.350 0.000 0.000 0.288 495 T C -0.869 173.826 174.700 -0.007 0.000 1.035 495 T CA -0.773 61.270 62.100 -0.094 0.000 1.028 495 T CB 1.993 70.788 68.868 -0.121 0.000 1.109 495 T HN 0.755 nan 8.240 nan 0.000 0.514 496 I N 1.564 122.050 120.570 -0.139 0.000 2.548 496 I HA 0.295 4.465 4.170 0.000 0.000 0.287 496 I C 0.126 176.089 176.117 -0.255 0.000 1.103 496 I CA -0.914 60.246 61.300 -0.234 0.000 1.049 496 I CB 2.248 40.032 38.000 -0.359 0.000 1.232 496 I HN 0.804 nan 8.210 nan 0.000 0.429 497 S N 6.869 122.453 115.700 -0.192 0.000 2.533 497 S HA 0.222 4.692 4.470 0.000 0.000 0.282 497 S C -1.641 172.861 174.600 -0.163 0.000 1.304 497 S CA -0.803 57.245 58.200 -0.252 0.000 1.063 497 S CB 0.929 63.838 63.200 -0.485 0.000 0.881 497 S HN 0.369 nan 8.310 nan 0.000 0.493 498 P HA -0.068 nan 4.420 nan 0.000 0.223 498 P C 1.032 178.488 177.300 0.260 0.000 1.144 498 P CA 0.607 63.734 63.100 0.045 0.000 0.783 498 P CB 0.069 31.752 31.700 -0.028 0.000 0.771 499 I N -1.691 118.933 120.570 0.091 0.000 2.546 499 I HA -0.139 4.031 4.170 0.000 0.000 0.255 499 I C 1.030 177.369 176.117 0.371 0.000 1.163 499 I CA 1.100 62.521 61.300 0.201 0.000 1.457 499 I CB -1.904 36.134 38.000 0.063 0.000 1.092 499 I HN 0.196 nan 8.210 nan 0.000 0.434 500 H N 1.297 120.571 119.070 0.341 0.000 2.768 500 H HA 0.472 5.028 4.556 0.000 0.000 0.228 500 H C 0.652 176.226 175.328 0.410 0.000 1.812 500 H CA -0.578 55.685 56.048 0.359 0.000 1.273 500 H CB 0.084 30.133 29.762 0.477 0.000 1.631 500 H HN 0.208 nan 8.280 nan 0.000 0.526 501 A N 0.472 123.449 122.820 0.263 0.000 2.286 501 A HA 0.160 4.480 4.320 0.000 0.000 0.286 501 A C 1.396 178.887 177.584 -0.154 0.000 1.097 501 A CA -0.542 51.332 52.037 -0.272 0.000 0.821 501 A CB 0.679 19.322 19.000 -0.596 0.000 1.076 501 A HN 0.437 nan 8.150 nan 0.000 0.490 502 T N 0.505 114.923 114.554 -0.226 0.000 2.812 502 T HA 0.063 4.413 4.350 0.000 0.000 0.264 502 T C 0.545 175.158 174.700 -0.146 0.000 1.042 502 T CA 1.814 63.825 62.100 -0.149 0.000 1.140 502 T CB -0.255 68.559 68.868 -0.091 0.000 0.870 502 T HN 0.852 nan 8.240 nan 0.000 0.445 503 Q N -0.884 118.823 119.800 -0.155 0.000 2.594 503 Q HA 0.606 4.946 4.340 0.000 0.000 0.278 503 Q C -2.287 173.640 176.000 -0.121 0.000 0.961 503 Q CA -0.971 54.787 55.803 -0.074 0.000 0.844 503 Q CB 1.676 30.389 28.738 -0.041 0.000 1.475 503 Q HN 0.034 nan 8.270 nan 0.000 0.389 504 V N 1.593 121.471 119.914 -0.059 0.000 2.760 504 V HA 0.462 4.582 4.120 0.000 0.000 0.309 504 V C -0.538 175.523 176.094 -0.055 0.000 1.077 504 V CA -0.673 61.560 62.300 -0.112 0.000 0.910 504 V CB 1.674 33.356 31.823 -0.234 0.000 1.008 504 V HN 0.962 nan 8.190 nan 0.000 0.424 505 N N 1.951 120.599 118.700 -0.088 0.000 2.448 505 N HA 0.387 5.127 4.740 0.000 0.000 0.274 505 N C 0.028 175.492 175.510 -0.076 0.000 1.239 505 N CA -0.485 52.523 53.050 -0.070 0.000 0.982 505 N CB 0.608 39.046 38.487 -0.082 0.000 1.199 505 N HN 0.732 nan 8.380 nan 0.000 0.576 506 N N -0.687 117.970 118.700 -0.072 0.000 2.727 506 N HA -0.223 4.517 4.740 0.000 0.000 0.249 506 N C 0.248 175.698 175.510 -0.101 0.000 1.048 506 N CA 0.284 53.287 53.050 -0.078 0.000 0.714 506 N CB -0.781 37.665 38.487 -0.067 0.000 0.959 506 N HN 0.641 nan 8.380 nan 0.000 0.544 507 Q N -0.601 119.134 119.800 -0.110 0.000 2.226 507 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 507 Q C 2.342 178.023 176.000 -0.531 0.000 0.975 507 Q CA 1.900 57.626 55.803 -0.128 0.000 0.866 507 Q CB -0.083 28.680 28.738 0.040 0.000 0.915 507 Q HN 0.699 nan 8.270 nan 0.000 0.440 508 T N -1.747 112.412 114.554 -0.659 0.000 3.035 508 T HA -0.006 4.345 4.350 0.000 0.000 0.268 508 T C 1.425 175.842 174.700 -0.471 0.000 1.109 508 T CA 0.445 61.993 62.100 -0.921 0.000 1.119 508 T CB 0.159 68.769 68.868 -0.430 0.000 0.900 508 T HN 0.071 nan 8.240 nan 0.000 0.503 509 R N 0.887 121.226 120.500 -0.268 0.000 2.509 509 R HA 0.285 4.625 4.340 0.000 0.000 0.300 509 R C -0.266 176.049 176.300 0.025 0.000 0.985 509 R CA 0.001 56.100 56.100 -0.001 0.000 1.092 509 R CB 0.464 30.809 30.300 0.074 0.000 1.237 509 R HN 0.305 nan 8.270 nan 0.000 0.546 510 T N 1.406 115.794 114.554 -0.276 0.000 2.792 510 T HA 0.601 4.951 4.350 0.000 0.000 0.280 510 T C -0.793 173.701 174.700 -0.344 0.000 0.990 510 T CA -0.210 61.845 62.100 -0.076 0.000 0.960 510 T CB 0.974 69.871 68.868 0.048 0.000 0.939 510 T HN -0.133 nan 8.240 nan 0.000 0.439 511 F N 1.413 121.432 119.950 0.115 0.000 2.577 511 F HA 0.607 5.134 4.527 0.000 0.000 0.318 511 F C 0.153 176.005 175.800 0.087 0.000 1.065 511 F CA -1.449 56.625 58.000 0.124 0.000 0.929 511 F CB 1.141 40.191 39.000 0.083 0.000 1.237 511 F HN 0.341 nan 8.300 nan 0.000 0.468 512 I N 1.552 122.306 120.570 0.306 0.000 2.371 512 I HA 0.256 4.426 4.170 0.000 0.000 0.290 512 I C -0.007 176.252 176.117 0.237 0.000 1.028 512 I CA -0.148 61.282 61.300 0.217 0.000 1.345 512 I CB 1.257 39.385 38.000 0.213 0.000 1.407 512 I HN 0.467 nan 8.210 nan 0.000 0.501 513 S N 6.194 121.954 115.700 0.101 0.000 2.530 513 S HA 0.175 4.646 4.470 0.000 0.000 0.322 513 S C -0.279 174.237 174.600 -0.139 0.000 1.085 513 S CA -0.758 57.478 58.200 0.061 0.000 1.096 513 S CB 0.796 64.009 63.200 0.021 0.000 0.988 513 S HN 0.671 nan 8.310 nan 0.000 0.466 514 E N 3.792 123.798 120.200 -0.324 0.000 2.568 514 E HA 0.015 4.365 4.350 0.000 0.000 0.262 514 E C -0.637 175.648 176.600 -0.523 0.000 0.961 514 E CA 0.418 56.449 56.400 -0.615 0.000 0.945 514 E CB 0.386 29.630 29.700 -0.760 0.000 0.924 514 E HN 0.333 nan 8.360 nan 0.000 0.467 515 K N 3.729 123.780 120.400 -0.583 0.000 2.477 515 K HA 0.242 4.563 4.320 0.000 0.000 0.255 515 K C -0.407 175.790 176.600 -0.673 0.000 0.952 515 K CA -0.594 55.364 56.287 -0.548 0.000 0.826 515 K CB 0.966 33.308 32.500 -0.264 0.000 1.331 515 K HN 0.543 nan 8.250 nan 0.000 0.437 516 F N -1.005 118.834 119.950 -0.186 0.000 2.653 516 F HA 0.220 4.747 4.527 0.000 0.000 0.288 516 F C 1.535 177.171 175.800 -0.273 0.000 1.121 516 F CA -0.138 57.578 58.000 -0.473 0.000 1.384 516 F CB 0.876 39.370 39.000 -0.843 0.000 1.115 516 F HN 0.675 nan 8.300 nan 0.000 0.599 517 G N -0.265 108.545 108.800 0.018 0.000 4.543 517 G HA2 0.096 4.056 3.960 0.000 0.000 0.286 517 G HA3 0.096 4.056 3.960 0.000 0.000 0.286 517 G C -0.155 174.690 174.900 -0.091 0.000 1.112 517 G CA -0.144 44.945 45.100 -0.017 0.000 0.870 517 G HN 0.140 nan 8.290 nan 0.000 0.540 518 N N 0.357 118.981 118.700 -0.126 0.000 2.238 518 N HA 0.068 4.808 4.740 0.000 0.000 0.235 518 N C 1.011 176.420 175.510 -0.168 0.000 1.209 518 N CA -0.276 52.666 53.050 -0.180 0.000 0.879 518 N CB 0.029 38.411 38.487 -0.175 0.000 1.136 518 N HN 0.032 nan 8.380 nan 0.000 0.517 519 Q N -0.537 119.180 119.800 -0.138 0.000 2.457 519 Q HA -0.157 4.183 4.340 0.000 0.000 0.283 519 Q C 0.153 176.087 176.000 -0.110 0.000 1.234 519 Q CA 1.345 57.075 55.803 -0.122 0.000 0.877 519 Q CB -2.024 26.630 28.738 -0.139 0.000 1.250 519 Q HN 0.663 nan 8.270 nan 0.000 0.481 520 G N -0.844 107.902 108.800 -0.090 0.000 2.355 520 G HA2 0.046 4.006 3.960 0.000 0.000 0.619 520 G HA3 0.046 4.006 3.960 0.000 0.000 0.619 520 G C -1.192 173.627 174.900 -0.134 0.000 1.337 520 G CA -0.477 44.563 45.100 -0.100 0.000 0.993 520 G HN 0.042 nan 8.290 nan 0.000 0.599 521 D N -0.110 120.206 120.400 -0.141 0.000 2.377 521 D HA 0.582 5.222 4.640 0.000 0.000 0.245 521 D C 1.152 177.372 176.300 -0.134 0.000 1.196 521 D CA 0.674 54.574 54.000 -0.168 0.000 0.962 521 D CB 1.330 42.022 40.800 -0.180 0.000 1.127 521 D HN 0.793 nan 8.370 nan 0.000 0.471 522 S N -0.273 115.350 115.700 -0.128 0.000 2.718 522 S HA 0.578 5.048 4.470 0.000 0.000 0.300 522 S C -0.551 173.987 174.600 -0.103 0.000 1.117 522 S CA -0.889 57.238 58.200 -0.122 0.000 1.002 522 S CB 1.196 64.315 63.200 -0.135 0.000 1.092 522 S HN 0.244 nan 8.310 nan 0.000 0.542 523 L N 1.569 122.688 121.223 -0.172 0.000 2.276 523 L HA 0.514 4.855 4.340 0.000 0.000 0.286 523 L C 0.103 176.701 176.870 -0.453 0.000 1.024 523 L CA -0.398 54.276 54.840 -0.276 0.000 0.826 523 L CB 1.028 42.873 42.059 -0.357 0.000 1.211 523 L HN 0.845 nan 8.230 nan 0.000 0.422 524 R N 4.802 125.156 120.500 -0.243 0.000 2.207 524 R HA 0.388 4.728 4.340 0.000 0.000 0.334 524 R C -1.299 174.967 176.300 -0.058 0.000 1.013 524 R CA -0.376 55.641 56.100 -0.137 0.000 0.858 524 R CB 0.402 30.730 30.300 0.047 0.000 1.094 524 R HN 0.473 nan 8.270 nan 0.000 0.457 525 F N 3.420 123.501 119.950 0.218 0.000 2.411 525 F HA 0.200 4.727 4.527 0.000 0.000 0.355 525 F C 1.127 177.030 175.800 0.173 0.000 1.117 525 F CA -0.331 57.767 58.000 0.163 0.000 1.139 525 F CB 1.646 40.715 39.000 0.116 0.000 1.120 525 F HN 0.578 nan 8.300 nan 0.000 0.493 526 E N 1.397 121.805 120.200 0.347 0.000 2.460 526 E HA -0.017 4.333 4.350 0.000 0.000 0.200 526 E C 0.173 176.882 176.600 0.181 0.000 1.011 526 E CA -0.016 56.535 56.400 0.252 0.000 0.912 526 E CB 0.649 30.514 29.700 0.276 0.000 0.953 526 E HN 0.577 nan 8.360 nan 0.000 0.494 527 Q N 1.154 121.050 119.800 0.160 0.000 2.322 527 Q HA 0.276 4.616 4.340 0.000 0.000 0.265 527 Q C -0.673 175.343 176.000 0.027 0.000 0.985 527 Q CA -0.364 55.484 55.803 0.076 0.000 0.849 527 Q CB 1.792 30.555 28.738 0.042 0.000 1.274 527 Q HN -0.111 nan 8.270 nan 0.000 0.449 528 S N 3.148 118.853 115.700 0.008 0.000 2.573 528 S HA 0.051 4.521 4.470 0.000 0.000 0.277 528 S C 0.254 174.803 174.600 -0.084 0.000 1.346 528 S CA 0.475 58.655 58.200 -0.034 0.000 1.034 528 S CB 0.177 63.367 63.200 -0.016 0.000 0.879 528 S HN 0.970 nan 8.310 nan 0.000 0.528 529 N N 1.304 119.927 118.700 -0.129 0.000 2.758 529 N HA -0.154 4.586 4.740 0.000 0.000 0.248 529 N C -0.897 174.493 175.510 -0.200 0.000 1.076 529 N CA 1.112 54.072 53.050 -0.150 0.000 0.696 529 N CB -1.696 36.733 38.487 -0.098 0.000 0.979 529 N HN 0.529 nan 8.380 nan 0.000 0.550 530 T N 0.930 115.292 114.554 -0.319 0.000 2.799 530 T HA 0.487 4.838 4.350 0.000 0.000 0.286 530 T C 0.110 174.492 174.700 -0.530 0.000 0.973 530 T CA -0.074 61.772 62.100 -0.424 0.000 1.035 530 T CB 1.367 69.884 68.868 -0.586 0.000 0.932 530 T HN 0.147 nan 8.240 nan 0.000 0.469 531 T N 2.753 117.087 114.554 -0.367 0.000 2.807 531 T HA 0.658 5.008 4.350 0.000 0.000 0.279 531 T C -0.460 174.098 174.700 -0.236 0.000 0.993 531 T CA -0.601 61.328 62.100 -0.284 0.000 0.970 531 T CB 1.266 70.035 68.868 -0.166 0.000 0.950 531 T HN 0.688 nan 8.240 nan 0.000 0.441 532 A N 3.547 126.268 122.820 -0.165 0.000 2.291 532 A HA 0.719 5.039 4.320 0.000 0.000 0.311 532 A C -0.018 177.485 177.584 -0.135 0.000 1.224 532 A CA -0.810 51.159 52.037 -0.114 0.000 0.821 532 A CB 0.667 19.760 19.000 0.155 0.000 1.172 532 A HN 0.813 nan 8.150 nan 0.000 0.494 533 R N 2.375 122.706 120.500 -0.281 0.000 2.407 533 R HA 0.637 4.978 4.340 0.000 0.000 0.303 533 R C -1.734 174.307 176.300 -0.431 0.000 0.981 533 R CA -0.233 55.754 56.100 -0.190 0.000 0.905 533 R CB 0.686 30.929 30.300 -0.094 0.000 1.099 533 R HN 0.654 nan 8.270 nan 0.000 0.459 534 Y N 0.923 121.275 120.300 0.086 0.000 2.499 534 Y HA 0.402 4.952 4.550 0.000 0.000 0.347 534 Y C -0.271 175.714 175.900 0.143 0.000 0.987 534 Y CA -0.743 57.438 58.100 0.135 0.000 1.044 534 Y CB 2.878 41.419 38.460 0.135 0.000 1.245 534 Y HN 0.502 nan 8.280 nan 0.000 0.461 535 T N 4.507 119.247 114.554 0.310 0.000 2.848 535 T HA 0.713 5.064 4.350 0.000 0.000 0.285 535 T C -1.201 173.651 174.700 0.252 0.000 0.995 535 T CA -0.694 61.534 62.100 0.213 0.000 0.970 535 T CB 0.852 69.789 68.868 0.115 0.000 0.976 535 T HN 0.521 nan 8.240 nan 0.000 0.441 536 L N 0.139 121.463 121.223 0.168 0.000 2.393 536 L HA 0.951 5.291 4.340 0.000 0.000 0.260 536 L C -0.662 176.201 176.870 -0.011 0.000 1.002 536 L CA -1.350 53.561 54.840 0.119 0.000 0.818 536 L CB 1.691 43.818 42.059 0.113 0.000 1.369 536 L HN 0.333 nan 8.230 nan 0.000 0.412 537 R N 1.336 121.775 120.500 -0.101 0.000 2.204 537 R HA 0.653 4.994 4.340 0.000 0.000 0.341 537 R C 0.203 176.377 176.300 -0.211 0.000 1.035 537 R CA 0.168 56.123 56.100 -0.242 0.000 0.887 537 R CB 0.515 30.524 30.300 -0.484 0.000 1.114 537 R HN 1.035 nan 8.270 nan 0.000 0.473 538 G N 2.274 110.987 108.800 -0.146 0.000 2.636 538 G HA2 -0.007 3.953 3.960 0.000 0.000 0.246 538 G HA3 -0.007 3.953 3.960 0.000 0.000 0.246 538 G C 0.052 174.898 174.900 -0.090 0.000 1.216 538 G CA -0.391 44.651 45.100 -0.095 0.000 0.854 538 G HN 0.862 nan 8.290 nan 0.000 0.572 539 N N -1.415 117.268 118.700 -0.028 0.000 2.197 539 N HA 0.232 4.972 4.740 0.000 0.000 0.228 539 N C 1.248 176.757 175.510 -0.001 0.000 1.212 539 N CA 0.493 53.533 53.050 -0.016 0.000 0.883 539 N CB 0.667 39.158 38.487 0.006 0.000 1.107 539 N HN 1.264 nan 8.380 nan 0.000 0.519 540 G N -0.113 108.691 108.800 0.006 0.000 2.179 540 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 540 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 540 G C -0.502 174.365 174.900 -0.056 0.000 0.977 540 G CA -0.030 45.058 45.100 -0.020 0.000 0.641 540 G HN 0.452 nan 8.290 nan 0.000 0.533 541 N N 0.226 118.910 118.700 -0.027 0.000 2.489 541 N HA 0.598 5.338 4.740 0.000 0.000 0.284 541 N C -0.400 175.019 175.510 -0.151 0.000 1.158 541 N CA -0.127 52.784 53.050 -0.230 0.000 0.965 541 N CB 1.548 39.813 38.487 -0.370 0.000 1.195 541 N HN 0.103 nan 8.380 nan 0.000 0.506 542 S N 0.689 116.206 115.700 -0.305 0.000 2.489 542 S HA 0.570 5.040 4.470 0.000 0.000 0.291 542 S C -1.051 173.487 174.600 -0.104 0.000 1.151 542 S CA -0.402 57.754 58.200 -0.074 0.000 1.082 542 S CB 0.304 63.478 63.200 -0.044 0.000 1.019 542 S HN 0.339 nan 8.310 nan 0.000 0.492 543 Y N 0.815 121.261 120.300 0.243 0.000 2.609 543 Y HA 0.422 4.972 4.550 0.000 0.000 0.342 543 Y C 0.185 176.167 175.900 0.136 0.000 1.058 543 Y CA -1.246 57.010 58.100 0.259 0.000 1.055 543 Y CB 1.206 39.874 38.460 0.347 0.000 1.292 543 Y HN 0.449 nan 8.280 nan 0.000 0.476 544 N N 1.759 120.620 118.700 0.268 0.000 2.434 544 N HA 0.252 4.992 4.740 0.000 0.000 0.272 544 N C -1.359 174.101 175.510 -0.084 0.000 1.040 544 N CA -0.434 52.633 53.050 0.029 0.000 0.956 544 N CB 1.532 40.045 38.487 0.043 0.000 1.108 544 N HN 0.513 nan 8.380 nan 0.000 0.481 545 L N 4.265 125.296 121.223 -0.320 0.000 2.281 545 L HA 0.355 4.695 4.340 0.000 0.000 0.285 545 L C -1.341 175.209 176.870 -0.533 0.000 1.074 545 L CA -0.206 54.328 54.840 -0.510 0.000 0.817 545 L CB -0.090 41.634 42.059 -0.557 0.000 1.168 545 L HN 0.361 nan 8.230 nan 0.000 0.434 546 Y N 5.318 125.367 120.300 -0.418 0.000 2.364 546 Y HA 0.567 5.117 4.550 0.000 0.000 0.340 546 Y C -0.490 175.232 175.900 -0.297 0.000 0.975 546 Y CA -0.640 57.297 58.100 -0.271 0.000 1.089 546 Y CB 1.733 40.068 38.460 -0.207 0.000 1.192 546 Y HN 0.398 nan 8.280 nan 0.000 0.454 547 L N 4.423 125.618 121.223 -0.047 0.000 2.298 547 L HA 0.534 4.874 4.340 0.000 0.000 0.284 547 L C -0.143 176.739 176.870 0.020 0.000 1.013 547 L CA -0.804 54.001 54.840 -0.059 0.000 0.824 547 L CB 1.667 43.713 42.059 -0.021 0.000 1.221 547 L HN 0.545 nan 8.230 nan 0.000 0.418 548 R N 3.811 124.291 120.500 -0.034 0.000 2.216 548 R HA 0.563 4.903 4.340 0.000 0.000 0.332 548 R C -0.848 175.442 176.300 -0.017 0.000 1.056 548 R CA -0.324 55.772 56.100 -0.007 0.000 0.901 548 R CB 0.901 31.104 30.300 -0.161 0.000 1.039 548 R HN 0.524 nan 8.270 nan 0.000 0.456 549 V N 0.072 119.999 119.914 0.022 0.000 3.181 549 V HA 0.714 4.834 4.120 0.000 0.000 0.308 549 V C -1.238 174.767 176.094 -0.149 0.000 1.214 549 V CA -0.809 61.403 62.300 -0.147 0.000 1.053 549 V CB 2.154 33.845 31.823 -0.219 0.000 1.069 549 V HN 0.661 nan 8.190 nan 0.000 0.441 550 S N 1.016 116.507 115.700 -0.348 0.000 2.557 550 S HA 0.754 5.224 4.470 0.000 0.000 0.291 550 S C -0.793 173.599 174.600 -0.346 0.000 1.116 550 S CA 0.105 58.172 58.200 -0.223 0.000 0.992 550 S CB 1.505 64.633 63.200 -0.120 0.000 1.028 550 S HN 1.752 nan 8.310 nan 0.000 0.484 551 S N 5.328 120.925 115.700 -0.170 0.000 2.571 551 S HA 0.363 4.833 4.470 0.000 0.000 0.238 551 S C -0.715 173.885 174.600 -0.000 0.000 1.153 551 S CA -0.655 57.501 58.200 -0.074 0.000 1.141 551 S CB -0.047 63.171 63.200 0.031 0.000 1.133 551 S HN 0.671 nan 8.310 nan 0.000 0.464 552 I N 4.548 125.122 120.570 0.006 0.000 2.280 552 I HA 0.465 4.635 4.170 0.000 0.000 0.287 552 I C 1.132 177.272 176.117 0.039 0.000 1.121 552 I CA 0.370 61.681 61.300 0.018 0.000 1.798 552 I CB -1.203 36.806 38.000 0.015 0.000 1.489 552 I HN 0.809 nan 8.210 nan 0.000 0.805 553 G N 4.016 112.845 108.800 0.048 0.000 2.369 553 G HA2 -0.021 3.939 3.960 0.000 0.000 0.293 553 G HA3 -0.021 3.939 3.960 0.000 0.000 0.293 553 G C -1.032 173.915 174.900 0.077 0.000 1.301 553 G CA -0.916 44.219 45.100 0.058 0.000 0.913 553 G HN 0.240 nan 8.290 nan 0.000 0.540 554 N N 0.372 119.117 118.700 0.075 0.000 2.518 554 N HA 0.732 5.472 4.740 0.000 0.000 0.283 554 N C 0.072 175.649 175.510 0.111 0.000 1.119 554 N CA 0.516 53.617 53.050 0.084 0.000 0.983 554 N CB 1.547 40.069 38.487 0.059 0.000 1.139 554 N HN 1.052 nan 8.380 nan 0.000 0.465 555 S N -0.491 115.288 115.700 0.132 0.000 2.596 555 S HA 0.605 5.075 4.470 0.000 0.000 0.270 555 S C -0.944 173.706 174.600 0.082 0.000 1.155 555 S CA -0.812 57.469 58.200 0.135 0.000 0.827 555 S CB 1.791 65.174 63.200 0.304 0.000 1.130 555 S HN 0.300 nan 8.310 nan 0.000 0.467 556 T N 1.638 116.196 114.554 0.006 0.000 2.841 556 T HA 0.577 4.927 4.350 0.000 0.000 0.285 556 T C -0.637 174.015 174.700 -0.080 0.000 0.991 556 T CA -0.440 61.652 62.100 -0.014 0.000 0.966 556 T CB 0.619 69.475 68.868 -0.020 0.000 0.962 556 T HN 0.607 nan 8.240 nan 0.000 0.438 557 I N 3.184 123.728 120.570 -0.042 0.000 2.354 557 I HA 0.484 4.654 4.170 0.000 0.000 0.292 557 I C 0.297 176.394 176.117 -0.033 0.000 0.989 557 I CA -0.766 60.491 61.300 -0.072 0.000 1.188 557 I CB 1.392 39.390 38.000 -0.004 0.000 1.342 557 I HN 0.303 nan 8.210 nan 0.000 0.457 558 R N 5.350 125.819 120.500 -0.052 0.000 2.388 558 R HA 0.571 4.911 4.340 0.000 0.000 0.314 558 R C -1.319 174.987 176.300 0.009 0.000 0.959 558 R CA -0.636 55.456 56.100 -0.013 0.000 0.851 558 R CB 2.172 32.451 30.300 -0.036 0.000 1.168 558 R HN 0.349 nan 8.270 nan 0.000 0.472 559 V N 2.751 122.708 119.914 0.072 0.000 2.398 559 V HA 0.371 4.491 4.120 0.000 0.000 0.286 559 V C 0.043 176.234 176.094 0.162 0.000 1.026 559 V CA -0.447 61.914 62.300 0.101 0.000 0.868 559 V CB 1.913 33.787 31.823 0.084 0.000 0.982 559 V HN 0.693 nan 8.190 nan 0.000 0.443 560 T N 6.790 121.414 114.554 0.117 0.000 2.809 560 T HA 0.740 5.090 4.350 0.000 0.000 0.284 560 T C -0.592 174.187 174.700 0.132 0.000 0.992 560 T CA -0.188 61.977 62.100 0.108 0.000 0.957 560 T CB 0.964 69.863 68.868 0.051 0.000 0.942 560 T HN 0.603 nan 8.240 nan 0.000 0.439 561 I N 2.713 123.382 120.570 0.165 0.000 2.785 561 I HA 0.300 4.471 4.170 0.000 0.000 0.293 561 I C -0.841 175.371 176.117 0.159 0.000 1.446 561 I CA -0.556 60.844 61.300 0.166 0.000 1.028 561 I CB 1.555 39.676 38.000 0.202 0.000 1.349 561 I HN 0.829 nan 8.210 nan 0.000 0.438 562 N N 4.619 123.390 118.700 0.118 0.000 2.741 562 N HA -0.193 4.548 4.740 0.000 0.000 0.250 562 N C 0.821 176.366 175.510 0.059 0.000 1.115 562 N CA 0.788 53.894 53.050 0.094 0.000 0.724 562 N CB -0.953 37.607 38.487 0.123 0.000 1.090 562 N HN 1.254 nan 8.380 nan 0.000 0.558 563 G N -0.456 108.371 108.800 0.045 0.000 2.168 563 G HA2 -0.393 3.567 3.960 0.000 0.000 0.263 563 G HA3 -0.393 3.567 3.960 0.000 0.000 0.263 563 G C 0.067 174.956 174.900 -0.018 0.000 0.977 563 G CA 0.863 45.971 45.100 0.013 0.000 0.659 563 G HN 0.528 nan 8.290 nan 0.000 0.533 564 R N -0.573 119.917 120.500 -0.016 0.000 2.474 564 R HA 0.606 4.946 4.340 0.000 0.000 0.295 564 R C -0.589 175.609 176.300 -0.170 0.000 0.980 564 R CA -0.746 55.265 56.100 -0.148 0.000 0.934 564 R CB 2.283 32.462 30.300 -0.202 0.000 1.101 564 R HN 0.082 nan 8.270 nan 0.000 0.469 565 V N 3.963 123.709 119.914 -0.280 0.000 2.350 565 V HA 0.284 4.404 4.120 0.000 0.000 0.285 565 V C -1.080 174.857 176.094 -0.261 0.000 1.014 565 V CA -0.853 61.350 62.300 -0.163 0.000 0.831 565 V CB 0.606 32.374 31.823 -0.093 0.000 1.000 565 V HN 0.592 nan 8.190 nan 0.000 0.433 566 Y N 2.014 122.304 120.300 -0.016 0.000 2.330 566 Y HA 0.608 5.158 4.550 0.000 0.000 0.336 566 Y C 0.818 176.702 175.900 -0.026 0.000 1.036 566 Y CA -0.575 57.512 58.100 -0.022 0.000 1.125 566 Y CB 1.859 40.302 38.460 -0.029 0.000 1.194 566 Y HN 0.505 nan 8.280 nan 0.000 0.469 567 T N 3.608 118.225 114.554 0.105 0.000 2.786 567 T HA 0.510 4.860 4.350 0.000 0.000 0.283 567 T C -0.853 173.879 174.700 0.053 0.000 0.992 567 T CA -0.681 61.451 62.100 0.054 0.000 0.954 567 T CB 0.879 69.756 68.868 0.016 0.000 0.934 567 T HN 0.304 nan 8.240 nan 0.000 0.440 568 V N 3.582 123.522 119.914 0.044 0.000 2.326 568 V HA 0.425 4.545 4.120 0.000 0.000 0.281 568 V C 0.170 176.288 176.094 0.040 0.000 1.015 568 V CA -0.677 61.649 62.300 0.043 0.000 0.823 568 V CB 1.308 33.159 31.823 0.046 0.000 1.009 568 V HN 0.944 nan 8.190 nan 0.000 0.436 569 S N 3.719 119.441 115.700 0.035 0.000 2.687 569 S HA 0.441 4.912 4.470 0.000 0.000 0.283 569 S C 0.631 175.257 174.600 0.044 0.000 1.170 569 S CA -0.647 57.573 58.200 0.034 0.000 1.008 569 S CB 0.663 63.877 63.200 0.023 0.000 1.026 569 S HN 0.870 nan 8.310 nan 0.000 0.541 570 N N -0.371 118.357 118.700 0.046 0.000 2.740 570 N HA -0.132 4.608 4.740 0.000 0.000 0.248 570 N C -0.850 174.700 175.510 0.065 0.000 1.062 570 N CA 0.275 53.355 53.050 0.050 0.000 0.704 570 N CB -1.632 36.877 38.487 0.037 0.000 0.968 570 N HN 0.333 nan 8.380 nan 0.000 0.547 571 V N 1.141 121.111 119.914 0.093 0.000 2.439 571 V HA 0.206 4.326 4.120 0.000 0.000 0.271 571 V C 0.710 176.873 176.094 0.114 0.000 1.040 571 V CA -0.097 62.275 62.300 0.121 0.000 1.002 571 V CB 1.126 33.069 31.823 0.201 0.000 1.000 571 V HN 0.302 nan 8.190 nan 0.000 0.477 572 N N 3.180 121.925 118.700 0.075 0.000 2.519 572 N HA 0.195 4.935 4.740 0.000 0.000 0.291 572 N C 0.205 175.730 175.510 0.026 0.000 1.107 572 N CA -0.086 52.996 53.050 0.053 0.000 0.904 572 N CB 2.464 40.977 38.487 0.045 0.000 1.500 572 N HN 0.647 nan 8.380 nan 0.000 0.510 573 T N -0.632 113.927 114.554 0.007 0.000 3.214 573 T HA 0.123 4.473 4.350 0.000 0.000 0.264 573 T C 1.180 175.866 174.700 -0.023 0.000 1.012 573 T CA 0.013 62.103 62.100 -0.017 0.000 0.901 573 T CB -0.133 68.714 68.868 -0.034 0.000 1.070 573 T HN 0.287 nan 8.240 nan 0.000 0.561 574 T N 2.892 117.442 114.554 -0.008 0.000 2.652 574 T HA -0.138 4.212 4.350 0.000 0.000 0.267 574 T C 2.140 176.830 174.700 -0.017 0.000 1.039 574 T CA 2.450 64.546 62.100 -0.007 0.000 1.153 574 T CB -0.495 68.376 68.868 0.004 0.000 0.863 574 T HN 0.780 nan 8.240 nan 0.000 0.428 575 T N -1.882 112.661 114.554 -0.018 0.000 2.955 575 T HA 0.215 4.565 4.350 0.000 0.000 0.251 575 T C 0.638 175.316 174.700 -0.037 0.000 1.002 575 T CA -0.319 61.766 62.100 -0.026 0.000 0.970 575 T CB -0.274 68.584 68.868 -0.018 0.000 1.091 575 T HN 0.187 nan 8.240 nan 0.000 0.495 576 N N 3.115 121.798 118.700 -0.030 0.000 2.868 576 N HA 0.408 5.148 4.740 0.000 0.000 0.252 576 N C -0.887 174.591 175.510 -0.054 0.000 1.130 576 N CA -0.567 52.464 53.050 -0.032 0.000 1.026 576 N CB 0.214 38.695 38.487 -0.010 0.000 1.335 576 N HN 0.607 nan 8.380 nan 0.000 0.516 577 N N -1.120 117.523 118.700 -0.095 0.000 2.902 577 N HA 0.286 5.027 4.740 0.000 0.000 0.268 577 N C -0.706 174.664 175.510 -0.234 0.000 1.450 577 N CA -0.799 52.146 53.050 -0.175 0.000 0.819 577 N CB 0.664 39.040 38.487 -0.186 0.000 1.540 577 N HN -0.187 nan 8.380 nan 0.000 0.545 578 D N -1.693 118.442 120.400 -0.441 0.000 2.349 578 D HA 0.218 4.858 4.640 0.000 0.000 0.224 578 D C 1.033 177.159 176.300 -0.290 0.000 1.029 578 D CA 1.395 55.160 54.000 -0.391 0.000 0.879 578 D CB -0.217 40.192 40.800 -0.651 0.000 0.906 578 D HN 0.845 nan 8.370 nan 0.000 0.528 579 G N -0.516 108.130 108.800 -0.256 0.000 2.195 579 G HA2 -0.278 3.682 3.960 0.000 0.000 0.246 579 G HA3 -0.278 3.682 3.960 0.000 0.000 0.246 579 G C 0.358 175.204 174.900 -0.089 0.000 0.984 579 G CA 0.178 45.188 45.100 -0.149 0.000 0.633 579 G HN 0.272 nan 8.290 nan 0.000 0.525 580 V N 2.041 121.892 119.914 -0.105 0.000 2.432 580 V HA 0.410 4.530 4.120 0.000 0.000 0.271 580 V C 0.349 176.489 176.094 0.078 0.000 1.046 580 V CA -0.675 61.658 62.300 0.056 0.000 0.945 580 V CB 1.563 33.519 31.823 0.223 0.000 0.992 580 V HN 0.379 nan 8.190 nan 0.000 0.471 581 N N 3.961 122.724 118.700 0.104 0.000 2.527 581 N HA 0.146 4.886 4.740 0.000 0.000 0.236 581 N C -1.100 174.506 175.510 0.159 0.000 0.999 581 N CA -0.267 52.846 53.050 0.105 0.000 0.935 581 N CB 1.099 39.636 38.487 0.082 0.000 1.132 581 N HN 0.629 nan 8.380 nan 0.000 0.511 582 D N 2.751 123.254 120.400 0.171 0.000 2.454 582 D HA 0.134 4.774 4.640 0.000 0.000 0.225 582 D C 0.233 176.635 176.300 0.170 0.000 1.081 582 D CA -0.226 53.898 54.000 0.207 0.000 0.864 582 D CB -0.043 40.856 40.800 0.165 0.000 1.040 582 D HN 0.571 nan 8.370 nan 0.000 0.517 583 N N 3.231 122.089 118.700 0.263 0.000 2.716 583 N HA -0.272 4.468 4.740 0.000 0.000 0.250 583 N C 0.952 176.534 175.510 0.120 0.000 1.033 583 N CA 1.955 55.138 53.050 0.223 0.000 0.727 583 N CB -1.014 37.544 38.487 0.118 0.000 0.950 583 N HN 0.749 nan 8.380 nan 0.000 0.541 584 G N -2.747 106.118 108.800 0.108 0.000 2.258 584 G HA2 -0.063 3.897 3.960 0.000 0.000 0.233 584 G HA3 -0.063 3.897 3.960 0.000 0.000 0.233 584 G C 0.309 175.238 174.900 0.047 0.000 1.006 584 G CA 0.593 45.735 45.100 0.070 0.000 0.620 584 G HN 1.394 nan 8.290 nan 0.000 0.511 585 A N 0.304 123.152 122.820 0.047 0.000 2.354 585 A HA 0.794 5.114 4.320 0.000 0.000 0.269 585 A C 0.515 178.132 177.584 0.054 0.000 1.109 585 A CA -0.014 52.041 52.037 0.029 0.000 0.800 585 A CB 0.410 19.417 19.000 0.011 0.000 1.045 585 A HN 0.460 nan 8.150 nan 0.000 0.489 586 R N 1.993 122.508 120.500 0.025 0.000 2.363 586 R HA 0.276 4.616 4.340 0.000 0.000 0.297 586 R C -0.768 175.523 176.300 -0.015 0.000 1.208 586 R CA -0.307 55.789 56.100 -0.006 0.000 1.121 586 R CB 0.757 31.034 30.300 -0.038 0.000 1.124 586 R HN 0.754 nan 8.270 nan 0.000 0.561 587 F N 0.640 120.577 119.950 -0.023 0.000 2.490 587 F HA 0.457 4.984 4.527 0.000 0.000 0.336 587 F C 0.093 175.893 175.800 -0.001 0.000 1.178 587 F CA -0.171 57.811 58.000 -0.030 0.000 1.301 587 F CB 0.990 39.976 39.000 -0.023 0.000 1.175 587 F HN 0.206 nan 8.300 nan 0.000 0.593 588 S N 1.084 116.936 115.700 0.254 0.000 2.533 588 S HA 0.312 4.782 4.470 0.000 0.000 0.271 588 S C -1.960 172.830 174.600 0.316 0.000 1.143 588 S CA -0.934 57.358 58.200 0.155 0.000 0.891 588 S CB 0.993 64.219 63.200 0.043 0.000 1.105 588 S HN 0.692 nan 8.310 nan 0.000 0.468 589 D N 3.648 124.242 120.400 0.323 0.000 2.313 589 D HA 0.337 4.977 4.640 0.000 0.000 0.239 589 D C -0.136 176.322 176.300 0.263 0.000 1.142 589 D CA -0.184 54.001 54.000 0.308 0.000 0.847 589 D CB 0.681 41.696 40.800 0.358 0.000 1.082 589 D HN 0.411 nan 8.370 nan 0.000 0.480 590 I N 1.824 122.507 120.570 0.187 0.000 2.325 590 I HA 0.139 4.310 4.170 0.000 0.000 0.291 590 I C 0.843 176.955 176.117 -0.009 0.000 1.019 590 I CA -0.464 60.896 61.300 0.100 0.000 1.302 590 I CB 0.226 38.270 38.000 0.073 0.000 1.401 590 I HN 0.208 nan 8.210 nan 0.000 0.485 591 N N 6.137 124.777 118.700 -0.100 0.000 2.402 591 N HA 0.126 4.866 4.740 0.000 0.000 0.252 591 N C 0.958 176.277 175.510 -0.319 0.000 1.118 591 N CA -0.515 52.270 53.050 -0.442 0.000 0.945 591 N CB 0.877 39.151 38.487 -0.355 0.000 1.147 591 N HN 0.406 nan 8.380 nan 0.000 0.495 592 I N 2.159 122.493 120.570 -0.392 0.000 2.333 592 I HA 0.192 4.362 4.170 0.000 0.000 0.246 592 I C 1.524 177.362 176.117 -0.464 0.000 1.106 592 I CA 1.108 62.200 61.300 -0.347 0.000 1.411 592 I CB -1.538 36.229 38.000 -0.389 0.000 1.082 592 I HN 0.721 nan 8.210 nan 0.000 0.420 593 G N 0.764 109.248 108.800 -0.527 0.000 2.369 593 G HA2 -0.091 3.869 3.960 0.000 0.000 0.307 593 G HA3 -0.091 3.869 3.960 0.000 0.000 0.307 593 G C -0.944 173.740 174.900 -0.360 0.000 1.327 593 G CA -0.705 44.134 45.100 -0.434 0.000 0.963 593 G HN 0.165 nan 8.290 nan 0.000 0.590 594 N N -0.195 118.425 118.700 -0.133 0.000 2.497 594 N HA 0.499 5.239 4.740 0.000 0.000 0.271 594 N C -0.222 175.318 175.510 0.051 0.000 1.142 594 N CA 0.293 53.339 53.050 -0.007 0.000 0.965 594 N CB 0.922 39.445 38.487 0.061 0.000 1.077 594 N HN 0.991 nan 8.380 nan 0.000 0.462 595 I N 0.013 120.651 120.570 0.114 0.000 2.969 595 I HA 0.508 4.678 4.170 0.000 0.000 0.307 595 I C -1.199 175.056 176.117 0.230 0.000 1.149 595 I CA -0.920 60.491 61.300 0.185 0.000 1.008 595 I CB 1.784 39.905 38.000 0.201 0.000 1.232 595 I HN 0.064 nan 8.210 nan 0.000 0.435 596 V N 3.286 123.320 119.914 0.199 0.000 2.384 596 V HA 0.721 4.841 4.120 0.000 0.000 0.287 596 V C 0.609 176.807 176.094 0.173 0.000 1.020 596 V CA -0.495 61.905 62.300 0.166 0.000 0.850 596 V CB 1.141 33.023 31.823 0.097 0.000 0.987 596 V HN 1.003 nan 8.190 nan 0.000 0.436 597 A N 3.659 126.605 122.820 0.210 0.000 3.056 597 A HA 0.419 4.739 4.320 0.000 0.000 0.274 597 A C 0.864 178.492 177.584 0.074 0.000 1.661 597 A CA -0.226 51.898 52.037 0.144 0.000 1.363 597 A CB -0.691 18.433 19.000 0.207 0.000 1.139 597 A HN 0.816 nan 8.150 nan 0.000 0.598 598 S N 1.636 117.367 115.700 0.052 0.000 2.953 598 S HA -0.084 4.386 4.470 0.000 0.000 0.348 598 S C 0.348 174.942 174.600 -0.009 0.000 1.215 598 S CA 0.240 58.452 58.200 0.019 0.000 1.019 598 S CB 0.034 63.245 63.200 0.019 0.000 0.726 598 S HN 0.736 nan 8.310 nan 0.000 0.503 599 D N 1.894 122.283 120.400 -0.017 0.000 2.443 599 D HA 0.040 4.680 4.640 0.000 0.000 0.239 599 D C 0.584 176.852 176.300 -0.052 0.000 1.136 599 D CA 0.208 54.186 54.000 -0.036 0.000 0.879 599 D CB -0.022 40.760 40.800 -0.031 0.000 1.195 599 D HN 0.575 nan 8.370 nan 0.000 0.443 600 N N 0.873 119.523 118.700 -0.083 0.000 2.701 600 N HA -0.204 4.536 4.740 0.000 0.000 0.250 600 N C -1.097 174.357 175.510 -0.094 0.000 1.046 600 N CA 1.304 54.292 53.050 -0.103 0.000 0.733 600 N CB -0.674 37.781 38.487 -0.054 0.000 0.973 600 N HN 0.260 nan 8.380 nan 0.000 0.541 601 T N -0.556 113.937 114.554 -0.101 0.000 2.912 601 T HA 0.351 4.701 4.350 0.000 0.000 0.299 601 T C -0.353 174.303 174.700 -0.073 0.000 1.052 601 T CA -0.842 61.220 62.100 -0.063 0.000 0.996 601 T CB 1.239 70.091 68.868 -0.026 0.000 1.070 601 T HN 0.006 nan 8.240 nan 0.000 0.465 602 N N 2.319 120.995 118.700 -0.040 0.000 2.439 602 N HA 0.292 5.032 4.740 0.000 0.000 0.243 602 N C -0.406 175.115 175.510 0.018 0.000 1.088 602 N CA -0.149 52.892 53.050 -0.014 0.000 0.940 602 N CB 0.637 39.137 38.487 0.022 0.000 1.180 602 N HN 0.343 nan 8.380 nan 0.000 0.505 603 V N 1.735 121.664 119.914 0.027 0.000 2.498 603 V HA 0.278 4.398 4.120 0.000 0.000 0.279 603 V C 0.906 177.056 176.094 0.093 0.000 1.048 603 V CA -0.640 61.695 62.300 0.059 0.000 0.967 603 V CB 1.092 32.953 31.823 0.063 0.000 0.988 603 V HN 0.618 nan 8.190 nan 0.000 0.473 604 T N 3.311 117.923 114.554 0.097 0.000 2.837 604 T HA 0.680 5.030 4.350 0.000 0.000 0.285 604 T C -0.787 174.002 174.700 0.148 0.000 0.984 604 T CA -0.648 61.522 62.100 0.116 0.000 1.049 604 T CB 1.460 70.376 68.868 0.079 0.000 0.947 604 T HN 0.458 nan 8.240 nan 0.000 0.472 605 L N 2.515 123.857 121.223 0.197 0.000 2.342 605 L HA 0.552 4.892 4.340 0.000 0.000 0.276 605 L C -1.476 175.524 176.870 0.218 0.000 0.997 605 L CA -0.411 54.561 54.840 0.219 0.000 0.838 605 L CB 1.276 43.502 42.059 0.279 0.000 1.224 605 L HN 0.638 nan 8.230 nan 0.000 0.416 606 D N 6.555 127.041 120.400 0.143 0.000 2.280 606 D HA 0.422 5.062 4.640 0.000 0.000 0.236 606 D C -0.311 176.040 176.300 0.086 0.000 1.082 606 D CA 0.259 54.319 54.000 0.099 0.000 0.834 606 D CB 2.091 42.917 40.800 0.044 0.000 1.100 606 D HN 0.476 nan 8.370 nan 0.000 0.486 607 I N 2.593 123.219 120.570 0.093 0.000 2.359 607 I HA 0.149 4.319 4.170 0.000 0.000 0.284 607 I C 0.222 176.290 176.117 -0.083 0.000 1.018 607 I CA -0.620 60.706 61.300 0.044 0.000 1.173 607 I CB 0.979 39.061 38.000 0.136 0.000 1.326 607 I HN 0.108 nan 8.210 nan 0.000 0.462 608 N N 6.609 125.234 118.700 -0.125 0.000 2.400 608 N HA 0.439 5.179 4.740 0.000 0.000 0.288 608 N C -1.462 173.879 175.510 -0.281 0.000 1.024 608 N CA -0.261 52.660 53.050 -0.215 0.000 0.894 608 N CB 2.225 40.624 38.487 -0.146 0.000 1.173 608 N HN 0.233 nan 8.380 nan 0.000 0.487 609 V N 2.538 122.202 119.914 -0.417 0.000 2.495 609 V HA 0.368 4.488 4.120 0.000 0.000 0.298 609 V C -0.007 175.902 176.094 -0.308 0.000 1.031 609 V CA -0.611 61.408 62.300 -0.467 0.000 0.871 609 V CB 1.745 33.108 31.823 -0.767 0.000 0.988 609 V HN 0.633 nan 8.190 nan 0.000 0.432 610 T N 6.216 120.643 114.554 -0.212 0.000 2.758 610 T HA 0.498 4.848 4.350 0.000 0.000 0.285 610 T C 0.014 174.679 174.700 -0.059 0.000 0.981 610 T CA -0.269 61.764 62.100 -0.112 0.000 0.965 610 T CB 0.694 69.518 68.868 -0.073 0.000 0.927 610 T HN 0.397 nan 8.240 nan 0.000 0.448 611 L N 4.696 125.909 121.223 -0.016 0.000 2.422 611 L HA 0.246 4.586 4.340 0.000 0.000 0.256 611 L C 1.252 178.148 176.870 0.043 0.000 1.202 611 L CA -0.439 54.431 54.840 0.049 0.000 1.119 611 L CB -0.594 41.513 42.059 0.079 0.000 1.383 611 L HN 0.662 nan 8.230 nan 0.000 0.411 612 N N 0.169 118.894 118.700 0.041 0.000 2.018 612 N HA -0.210 4.530 4.740 0.000 0.000 0.196 612 N C 1.625 177.159 175.510 0.041 0.000 1.043 612 N CA 1.767 54.837 53.050 0.034 0.000 0.856 612 N CB -0.041 38.468 38.487 0.035 0.000 1.042 612 N HN 0.383 nan 8.380 nan 0.000 0.423 613 S N -1.304 114.429 115.700 0.055 0.000 2.515 613 S HA 0.126 4.596 4.470 0.000 0.000 0.231 613 S C 1.608 176.239 174.600 0.052 0.000 0.987 613 S CA 0.727 58.958 58.200 0.051 0.000 0.936 613 S CB -0.088 63.145 63.200 0.056 0.000 0.766 613 S HN 0.694 nan 8.310 nan 0.000 0.528 614 G N 1.488 110.324 108.800 0.060 0.000 2.225 614 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 614 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 614 G C 0.357 175.303 174.900 0.076 0.000 0.988 614 G CA 0.401 45.537 45.100 0.061 0.000 0.625 614 G HN 0.692 nan 8.290 nan 0.000 0.527 615 T N 0.717 115.321 114.554 0.083 0.000 2.918 615 T HA 0.550 4.900 4.350 0.000 0.000 0.302 615 T C -1.930 172.849 174.700 0.131 0.000 1.045 615 T CA -1.033 61.121 62.100 0.090 0.000 1.114 615 T CB 1.745 70.660 68.868 0.077 0.000 0.965 615 T HN 0.153 nan 8.240 nan 0.000 0.540 616 P HA 0.274 nan 4.420 nan 0.000 0.269 616 P C -1.132 176.306 177.300 0.231 0.000 1.217 616 P CA -0.395 62.810 63.100 0.176 0.000 0.783 616 P CB 0.254 32.025 31.700 0.118 0.000 0.898 617 F N 1.129 121.152 119.950 0.121 0.000 2.507 617 F HA 0.336 4.863 4.527 0.000 0.000 0.325 617 F C -0.616 175.199 175.800 0.025 0.000 1.116 617 F CA -0.542 57.529 58.000 0.120 0.000 0.930 617 F CB 1.475 40.612 39.000 0.229 0.000 1.146 617 F HN 0.140 nan 8.300 nan 0.000 0.447 618 D N 7.160 127.295 120.400 -0.442 0.000 2.392 618 D HA 0.214 4.854 4.640 0.000 0.000 0.228 618 D C -0.782 175.274 176.300 -0.406 0.000 1.074 618 D CA -0.145 53.658 54.000 -0.327 0.000 0.838 618 D CB 2.211 42.869 40.800 -0.237 0.000 1.067 618 D HN 0.498 nan 8.370 nan 0.000 0.511 619 L N 3.944 125.080 121.223 -0.145 0.000 2.268 619 L HA 0.223 4.563 4.340 0.000 0.000 0.289 619 L C 1.115 177.925 176.870 -0.101 0.000 1.064 619 L CA -0.180 54.682 54.840 0.038 0.000 0.824 619 L CB 0.774 42.934 42.059 0.168 0.000 1.202 619 L HN 0.356 nan 8.230 nan 0.000 0.433 620 M N 3.076 122.603 119.600 -0.121 0.000 2.429 620 M HA 0.115 4.595 4.480 0.000 0.000 0.265 620 M C 0.322 176.517 176.300 -0.175 0.000 1.120 620 M CA 0.641 55.851 55.300 -0.149 0.000 1.173 620 M CB 0.209 32.718 32.600 -0.151 0.000 1.343 620 M HN 0.488 nan 8.290 nan 0.000 0.464 621 N N -0.283 118.308 118.700 -0.182 0.000 2.598 621 N HA 0.478 5.218 4.740 0.000 0.000 0.263 621 N C -2.031 173.329 175.510 -0.249 0.000 1.254 621 N CA -0.404 52.511 53.050 -0.225 0.000 0.863 621 N CB 2.144 40.480 38.487 -0.251 0.000 1.586 621 N HN -0.025 nan 8.380 nan 0.000 0.491 622 I N 2.832 123.215 120.570 -0.311 0.000 2.410 622 I HA 0.426 4.596 4.170 0.000 0.000 0.286 622 I C -0.230 175.623 176.117 -0.441 0.000 1.009 622 I CA -0.589 60.471 61.300 -0.400 0.000 1.111 622 I CB 1.193 38.917 38.000 -0.460 0.000 1.262 622 I HN 0.322 nan 8.210 nan 0.000 0.443 623 M N 4.922 124.202 119.600 -0.532 0.000 2.263 623 M HA 0.555 5.035 4.480 0.000 0.000 0.295 623 M C -1.847 174.048 176.300 -0.674 0.000 1.028 623 M CA -0.414 54.559 55.300 -0.545 0.000 0.921 623 M CB 1.819 34.106 32.600 -0.522 0.000 1.601 623 M HN 0.185 nan 8.290 nan 0.000 0.440 624 F N 2.326 121.873 119.950 -0.670 0.000 2.404 624 F HA 0.654 5.181 4.527 0.000 0.000 0.354 624 F C -0.041 175.567 175.800 -0.321 0.000 1.122 624 F CA -0.682 56.958 58.000 -0.600 0.000 1.080 624 F CB 1.638 39.881 39.000 -1.262 0.000 1.131 624 F HN 0.361 nan 8.300 nan 0.000 0.471 625 V N 4.748 124.758 119.914 0.159 0.000 2.604 625 V HA 0.428 4.548 4.120 0.000 0.000 0.305 625 V C -2.309 174.006 176.094 0.368 0.000 1.043 625 V CA -2.624 59.795 62.300 0.199 0.000 0.888 625 V CB 2.094 33.956 31.823 0.064 0.000 0.995 625 V HN 0.464 nan 8.190 nan 0.000 0.429 626 P HA 0.011 nan 4.420 nan 0.000 0.262 626 P C 1.229 178.579 177.300 0.083 0.000 1.182 626 P CA 0.433 63.477 63.100 -0.093 0.000 0.761 626 P CB 0.488 31.858 31.700 -0.550 0.000 0.795 627 T N -0.215 114.437 114.554 0.163 0.000 2.822 627 T HA -0.215 4.135 4.350 0.000 0.000 0.270 627 T C 1.031 175.796 174.700 0.109 0.000 1.064 627 T CA 1.569 63.758 62.100 0.147 0.000 1.131 627 T CB -0.825 68.121 68.868 0.131 0.000 0.858 627 T HN 0.433 nan 8.240 nan 0.000 0.483 628 N N 1.073 119.826 118.700 0.088 0.000 2.276 628 N HA 0.144 4.884 4.740 0.000 0.000 0.212 628 N C -0.049 175.481 175.510 0.032 0.000 1.127 628 N CA -0.195 52.891 53.050 0.060 0.000 0.834 628 N CB -0.243 38.282 38.487 0.063 0.000 1.014 628 N HN 0.459 nan 8.380 nan 0.000 0.491 629 L N 1.609 122.853 121.223 0.036 0.000 2.581 629 L HA 0.422 4.762 4.340 0.000 0.000 0.241 629 L C -2.333 174.566 176.870 0.049 0.000 1.265 629 L CA -1.577 53.274 54.840 0.018 0.000 0.954 629 L CB 1.206 43.257 42.059 -0.013 0.000 1.269 629 L HN -0.116 nan 8.230 nan 0.000 0.475 630 P HA 0.195 nan 4.420 nan 0.000 0.272 630 P C -2.476 174.793 177.300 -0.051 0.000 1.223 630 P CA -0.972 62.160 63.100 0.054 0.000 0.784 630 P CB -0.015 31.715 31.700 0.051 0.000 0.923 631 P HA 0.114 nan 4.420 nan 0.000 0.272 631 P C 1.182 178.293 177.300 -0.315 0.000 1.230 631 P CA -0.172 62.680 63.100 -0.414 0.000 0.788 631 P CB 0.947 32.236 31.700 -0.686 0.000 0.949 632 L N 0.560 121.548 121.223 -0.392 0.000 2.353 632 L HA -0.094 4.246 4.340 0.000 0.000 0.220 632 L C 0.836 177.664 176.870 -0.070 0.000 1.133 632 L CA 1.433 56.149 54.840 -0.207 0.000 0.798 632 L CB -0.858 41.109 42.059 -0.153 0.000 0.922 632 L HN 0.561 nan 8.230 nan 0.000 0.445 633 Y N 0.000 120.228 120.300 -0.120 0.000 2.660 633 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 633 Y CA 0.000 58.051 58.100 -0.081 0.000 1.940 633 Y CB 0.000 38.419 38.460 -0.068 0.000 1.050 633 Y HN 0.000 nan 8.280 nan 0.000 0.758