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 4rub_1_D DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK EYKLTYYTPE YQTKDTDILA AFRVTPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTSLD RYKGRCYRIE RVVGEKDQYI AYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPPAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE EMIKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT SLAHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE IHFRVLAKAL RMSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDFVEQDR DATA SEQUENCE SRGIYFTQDW VSLPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV KARNEGRDLA QEGNEIIREA cKWSPELAAA DATA SEQUENCE cEVWKEIVFN FAAVD 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.613 177.584 0.048 0.000 1.274 9 A CA 0.000 52.072 52.037 0.058 0.000 0.836 9 A CB 0.000 19.037 19.000 0.062 0.000 0.831 10 S N -1.904 113.827 115.700 0.052 0.000 2.978 10 S HA 0.390 4.860 4.470 -0.000 0.000 0.855 10 S C -0.255 174.375 174.600 0.050 0.000 0.951 10 S CA 0.173 58.398 58.200 0.042 0.000 1.377 10 S CB -2.043 61.174 63.200 0.028 0.000 0.983 10 S HN 2.663 nan 8.310 nan 0.000 0.235 11 V N 1.084 121.026 119.914 0.046 0.000 3.411 11 V HA 0.107 4.227 4.120 -0.000 0.000 0.484 11 V C 1.547 177.687 176.094 0.076 0.000 0.682 11 V CA 0.742 63.072 62.300 0.049 0.000 2.023 11 V CB -1.644 30.205 31.823 0.044 0.000 2.468 11 V HN 2.374 nan 8.190 nan 0.000 0.502 12 G N 4.659 113.499 108.800 0.067 0.000 2.568 12 G HA2 0.267 4.227 3.960 -0.000 0.000 0.231 12 G HA3 0.267 4.227 3.960 -0.000 0.000 0.231 12 G C -0.357 174.636 174.900 0.156 0.000 1.261 12 G CA 0.240 45.396 45.100 0.092 0.000 0.855 12 G HN 1.615 nan 8.290 nan 0.000 0.576 13 F N 1.733 121.705 119.950 0.037 0.000 2.504 13 F HA 0.413 4.940 4.527 -0.000 0.000 0.369 13 F C 0.443 176.263 175.800 0.034 0.000 1.082 13 F CA -0.940 57.096 58.000 0.061 0.000 1.216 13 F CB 0.849 39.908 39.000 0.098 0.000 1.108 13 F HN 0.293 nan 8.300 nan 0.000 0.554 14 K N 6.507 126.806 120.400 -0.167 0.000 2.521 14 K HA 0.615 4.935 4.320 -0.000 0.000 0.248 14 K C -0.617 175.715 176.600 -0.446 0.000 0.978 14 K CA -0.697 55.386 56.287 -0.340 0.000 0.947 14 K CB 0.907 33.333 32.500 -0.124 0.000 1.165 14 K HN 0.877 nan 8.250 nan 0.000 0.445 15 A N 2.433 124.785 122.820 -0.780 0.000 2.555 15 A HA 0.482 4.802 4.320 -0.000 0.000 0.233 15 A C 0.551 178.037 177.584 -0.165 0.000 1.060 15 A CA 1.088 52.856 52.037 -0.449 0.000 0.759 15 A CB -0.128 18.612 19.000 -0.433 0.000 0.995 15 A HN 1.020 nan 8.150 nan 0.000 0.506 16 G N -0.606 108.152 108.800 -0.071 0.000 2.459 16 G HA2 0.330 4.289 3.960 -0.000 0.000 0.685 16 G HA3 0.330 4.289 3.960 -0.000 0.000 0.685 16 G C -0.655 174.222 174.900 -0.038 0.000 1.303 16 G CA -0.525 44.549 45.100 -0.043 0.000 0.907 16 G HN 1.469 nan 8.290 nan 0.000 0.632 17 V N 0.865 120.780 119.914 0.002 0.000 3.051 17 V HA 0.631 4.751 4.120 -0.000 0.000 0.306 17 V C 0.729 176.821 176.094 -0.004 0.000 1.083 17 V CA 0.275 62.585 62.300 0.016 0.000 1.104 17 V CB 1.335 33.224 31.823 0.111 0.000 1.027 17 V HN 0.879 nan 8.190 nan 0.000 0.483 18 K N 1.219 121.603 120.400 -0.027 0.000 2.568 18 K HA 0.452 4.772 4.320 -0.000 0.000 0.273 18 K C -1.374 175.185 176.600 -0.068 0.000 0.951 18 K CA -0.988 55.285 56.287 -0.022 0.000 0.854 18 K CB 2.131 34.637 32.500 0.010 0.000 1.424 18 K HN 0.617 nan 8.250 nan 0.000 0.427 19 E N 0.792 120.967 120.200 -0.041 0.000 2.390 19 E HA 0.030 4.380 4.350 -0.000 0.000 0.261 19 E C 0.310 176.913 176.600 0.006 0.000 1.076 19 E CA 0.067 56.424 56.400 -0.071 0.000 0.905 19 E CB 0.139 29.834 29.700 -0.008 0.000 0.984 19 E HN 0.393 nan 8.360 nan 0.000 0.427 20 Y N 1.398 121.764 120.300 0.109 0.000 2.165 20 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 20 Y C 2.206 178.230 175.900 0.207 0.000 1.155 20 Y CA 1.652 59.842 58.100 0.150 0.000 1.164 20 Y CB -0.500 37.981 38.460 0.035 0.000 0.978 20 Y HN 0.567 nan 8.280 nan 0.000 0.513 21 K N 0.013 120.577 120.400 0.273 0.000 2.097 21 K HA -0.254 4.066 4.320 -0.000 0.000 0.214 21 K C 1.830 178.563 176.600 0.221 0.000 1.052 21 K CA 1.849 58.265 56.287 0.216 0.000 0.932 21 K CB -0.403 32.167 32.500 0.116 0.000 0.716 21 K HN 0.155 nan 8.250 nan 0.000 0.455 22 L N 0.456 121.779 121.223 0.166 0.000 2.129 22 L HA -0.177 4.162 4.340 -0.000 0.000 0.212 22 L C 2.009 178.918 176.870 0.065 0.000 1.087 22 L CA 2.121 57.026 54.840 0.109 0.000 0.757 22 L CB -1.308 40.799 42.059 0.080 0.000 0.896 22 L HN 0.442 nan 8.230 nan 0.000 0.434 23 T N -3.759 110.838 114.554 0.072 0.000 2.987 23 T HA 0.050 4.399 4.350 -0.000 0.000 0.248 23 T C 1.236 175.748 174.700 -0.314 0.000 0.997 23 T CA 0.060 62.025 62.100 -0.225 0.000 1.013 23 T CB 0.008 68.559 68.868 -0.527 0.000 1.077 23 T HN 0.108 nan 8.240 nan 0.000 0.483 24 Y N 0.036 120.389 120.300 0.088 0.000 2.485 24 Y HA 0.428 4.978 4.550 -0.000 0.000 0.260 24 Y C 0.026 175.989 175.900 0.104 0.000 1.173 24 Y CA -1.322 56.806 58.100 0.047 0.000 1.252 24 Y CB 0.250 38.715 38.460 0.008 0.000 1.123 24 Y HN 0.181 nan 8.280 nan 0.000 0.524 25 Y N 0.968 121.327 120.300 0.098 0.000 2.417 25 Y HA 0.477 5.027 4.550 -0.000 0.000 0.336 25 Y C -0.279 175.645 175.900 0.041 0.000 0.961 25 Y CA -1.201 56.934 58.100 0.058 0.000 1.215 25 Y CB 0.992 39.481 38.460 0.047 0.000 1.120 25 Y HN -0.148 nan 8.280 nan 0.000 0.499 26 T N 9.534 123.902 114.554 -0.311 0.000 3.504 26 T HA 0.188 4.537 4.350 -0.000 0.000 0.286 26 T C -2.084 172.481 174.700 -0.225 0.000 1.530 26 T CA -0.939 61.013 62.100 -0.247 0.000 1.652 26 T CB 0.619 69.428 68.868 -0.098 0.000 0.895 26 T HN 0.470 nan 8.240 nan 0.000 0.674 27 P HA -0.034 nan 4.420 nan 0.000 0.228 27 P C 0.921 178.190 177.300 -0.051 0.000 1.151 27 P CA 0.828 63.789 63.100 -0.231 0.000 0.770 27 P CB 0.461 31.962 31.700 -0.332 0.000 0.786 28 E N -0.753 119.412 120.200 -0.060 0.000 2.077 28 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 28 E C 0.671 177.293 176.600 0.036 0.000 0.989 28 E CA 0.391 56.785 56.400 -0.010 0.000 0.800 28 E CB -1.162 28.530 29.700 -0.013 0.000 0.746 28 E HN 0.238 nan 8.360 nan 0.000 0.452 29 Y N 2.385 122.650 120.300 -0.057 0.000 2.969 29 Y HA -0.172 4.378 4.550 -0.000 0.000 0.339 29 Y C -0.024 175.818 175.900 -0.097 0.000 1.272 29 Y CA 0.504 58.561 58.100 -0.072 0.000 1.577 29 Y CB 0.332 38.749 38.460 -0.071 0.000 1.234 29 Y HN -0.002 nan 8.280 nan 0.000 0.590 30 Q N 5.155 124.492 119.800 -0.772 0.000 2.394 30 Q HA 0.167 4.506 4.340 -0.000 0.000 0.259 30 Q C -0.021 175.270 176.000 -1.180 0.000 1.021 30 Q CA -0.488 54.898 55.803 -0.696 0.000 0.805 30 Q CB 1.056 29.542 28.738 -0.420 0.000 1.226 30 Q HN 0.822 nan 8.270 nan 0.000 0.476 31 T N 0.385 114.461 114.554 -0.796 0.000 2.940 31 T HA 0.246 4.595 4.350 -0.000 0.000 0.309 31 T C 0.158 174.663 174.700 -0.325 0.000 1.056 31 T CA -0.361 61.427 62.100 -0.520 0.000 1.137 31 T CB 0.676 69.364 68.868 -0.301 0.000 0.976 31 T HN 0.132 nan 8.240 nan 0.000 0.547 32 K N 1.749 122.054 120.400 -0.159 0.000 2.098 32 K HA 0.345 4.665 4.320 -0.000 0.000 0.258 32 K C 0.922 177.488 176.600 -0.056 0.000 0.973 32 K CA -0.815 55.417 56.287 -0.092 0.000 0.898 32 K CB 0.871 33.353 32.500 -0.031 0.000 1.057 32 K HN 0.522 nan 8.250 nan 0.000 0.447 33 D N 0.496 120.868 120.400 -0.046 0.000 2.351 33 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 33 D C 0.690 176.976 176.300 -0.024 0.000 0.968 33 D CA 1.313 55.293 54.000 -0.033 0.000 0.899 33 D CB 0.106 40.894 40.800 -0.020 0.000 0.907 33 D HN 0.702 nan 8.370 nan 0.000 0.514 34 T N -2.580 111.969 114.554 -0.008 0.000 3.069 34 T HA 0.037 4.387 4.350 -0.000 0.000 0.252 34 T C 0.568 175.273 174.700 0.008 0.000 1.053 34 T CA -0.519 61.587 62.100 0.010 0.000 0.964 34 T CB 0.572 69.460 68.868 0.032 0.000 1.005 34 T HN -0.239 nan 8.240 nan 0.000 0.532 35 D N 1.555 121.959 120.400 0.006 0.000 2.399 35 D HA 0.318 4.957 4.640 -0.000 0.000 0.241 35 D C -0.293 175.980 176.300 -0.046 0.000 1.133 35 D CA -0.365 53.650 54.000 0.024 0.000 0.890 35 D CB 0.736 41.562 40.800 0.044 0.000 1.201 35 D HN 0.165 nan 8.370 nan 0.000 0.432 36 I N 2.379 122.935 120.570 -0.023 0.000 2.342 36 I HA 0.168 4.338 4.170 -0.000 0.000 0.291 36 I C -0.172 175.932 176.117 -0.022 0.000 1.010 36 I CA -0.143 61.071 61.300 -0.144 0.000 1.308 36 I CB 0.680 38.483 38.000 -0.328 0.000 1.400 36 I HN 0.082 nan 8.210 nan 0.000 0.488 37 L N 6.226 127.309 121.223 -0.234 0.000 2.334 37 L HA 0.962 5.301 4.340 -0.000 0.000 0.273 37 L C -0.211 176.466 176.870 -0.322 0.000 1.013 37 L CA -0.778 53.941 54.840 -0.202 0.000 0.816 37 L CB 1.633 43.509 42.059 -0.305 0.000 1.278 37 L HN 0.606 nan 8.230 nan 0.000 0.431 38 A N 1.375 124.186 122.820 -0.016 0.000 2.422 38 A HA 0.849 5.168 4.320 -0.000 0.000 0.302 38 A C -0.743 176.793 177.584 -0.079 0.000 1.041 38 A CA -0.521 51.441 52.037 -0.124 0.000 0.708 38 A CB 1.734 20.540 19.000 -0.323 0.000 1.257 38 A HN 0.779 nan 8.150 nan 0.000 0.414 39 A N 2.169 124.882 122.820 -0.179 0.000 2.582 39 A HA 0.667 4.987 4.320 -0.000 0.000 0.336 39 A C -0.957 176.323 177.584 -0.508 0.000 1.445 39 A CA -0.194 51.538 52.037 -0.507 0.000 0.997 39 A CB -0.667 17.928 19.000 -0.675 0.000 1.148 39 A HN 0.582 nan 8.150 nan 0.000 0.514 40 F N 1.027 120.812 119.950 -0.275 0.000 2.404 40 F HA 0.454 4.981 4.527 -0.000 0.000 0.339 40 F C 1.088 176.756 175.800 -0.220 0.000 1.105 40 F CA -0.385 57.477 58.000 -0.230 0.000 1.087 40 F CB 1.451 40.330 39.000 -0.202 0.000 1.143 40 F HN 0.572 nan 8.300 nan 0.000 0.491 41 R N 3.750 124.262 120.500 0.020 0.000 2.287 41 R HA 0.518 4.858 4.340 -0.000 0.000 0.327 41 R C -1.488 174.820 176.300 0.014 0.000 1.109 41 R CA -0.266 55.839 56.100 0.007 0.000 1.013 41 R CB 0.743 31.041 30.300 -0.003 0.000 1.126 41 R HN 0.621 nan 8.270 nan 0.000 0.503 42 V N 3.812 123.753 119.914 0.044 0.000 2.617 42 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 42 V C -0.740 175.417 176.094 0.105 0.000 1.048 42 V CA 0.003 62.312 62.300 0.015 0.000 0.964 42 V CB 2.087 33.882 31.823 -0.047 0.000 1.004 42 V HN 0.836 nan 8.190 nan 0.000 0.466 43 T N 8.282 122.878 114.554 0.070 0.000 3.038 43 T HA 0.457 4.807 4.350 -0.000 0.000 0.344 43 T C -2.783 171.965 174.700 0.080 0.000 1.054 43 T CA -0.645 61.515 62.100 0.101 0.000 1.092 43 T CB 1.564 70.472 68.868 0.067 0.000 1.031 43 T HN 0.636 nan 8.240 nan 0.000 0.482 44 P HA 0.362 nan 4.420 nan 0.000 0.277 44 P C -0.531 176.804 177.300 0.058 0.000 1.276 44 P CA -0.690 62.446 63.100 0.060 0.000 0.788 44 P CB 0.609 32.334 31.700 0.042 0.000 1.114 45 Q N 0.398 120.225 119.800 0.045 0.000 2.257 45 Q HA 0.264 4.603 4.340 -0.000 0.000 0.255 45 Q C -1.754 174.267 176.000 0.035 0.000 0.920 45 Q CA -1.913 53.913 55.803 0.038 0.000 0.927 45 Q CB 0.029 28.787 28.738 0.034 0.000 1.229 45 Q HN 0.186 nan 8.270 nan 0.000 0.433 46 P HA -0.313 nan 4.420 nan 0.000 0.231 46 P C 0.356 177.672 177.300 0.026 0.000 0.982 46 P CA 2.615 65.732 63.100 0.029 0.000 1.072 46 P CB 0.093 31.805 31.700 0.020 0.000 0.706 47 G N -2.404 106.408 108.800 0.019 0.000 3.181 47 G HA2 0.191 4.151 3.960 -0.000 0.000 0.219 47 G HA3 0.191 4.151 3.960 -0.000 0.000 0.219 47 G C -0.108 174.798 174.900 0.010 0.000 1.182 47 G CA -0.042 45.066 45.100 0.014 0.000 0.791 47 G HN 0.223 nan 8.290 nan 0.000 0.537 48 V N 3.204 123.125 119.914 0.013 0.000 2.348 48 V HA 0.248 4.368 4.120 -0.000 0.000 0.270 48 V C -1.785 174.288 176.094 -0.035 0.000 1.037 48 V CA -2.021 60.277 62.300 -0.003 0.000 0.872 48 V CB 1.356 33.185 31.823 0.009 0.000 1.002 48 V HN 0.103 nan 8.190 nan 0.000 0.464 49 P HA 0.126 nan 4.420 nan 0.000 0.266 49 P C -2.163 175.014 177.300 -0.205 0.000 1.195 49 P CA -1.241 61.792 63.100 -0.113 0.000 0.768 49 P CB 0.547 32.185 31.700 -0.104 0.000 0.838 50 P HA -0.172 nan 4.420 nan 0.000 0.216 50 P C 1.290 178.327 177.300 -0.437 0.000 1.153 50 P CA 1.613 64.375 63.100 -0.563 0.000 0.848 50 P CB -0.162 30.841 31.700 -1.163 0.000 0.787 51 E N 0.575 120.495 120.200 -0.466 0.000 2.515 51 E HA -0.187 4.163 4.350 -0.000 0.000 0.201 51 E C 1.575 177.968 176.600 -0.345 0.000 1.071 51 E CA 1.004 57.033 56.400 -0.619 0.000 0.880 51 E CB -0.336 28.695 29.700 -1.114 0.000 0.828 51 E HN 0.309 nan 8.360 nan 0.000 0.540 52 E N 0.960 121.036 120.200 -0.206 0.000 2.110 52 E HA 0.184 4.534 4.350 -0.000 0.000 0.193 52 E C 2.030 178.601 176.600 -0.049 0.000 0.950 52 E CA 1.314 57.679 56.400 -0.059 0.000 0.840 52 E CB -0.262 29.433 29.700 -0.010 0.000 0.809 52 E HN 0.156 nan 8.360 nan 0.000 0.465 53 A N 0.952 123.711 122.820 -0.100 0.000 1.869 53 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 53 A C 2.484 179.959 177.584 -0.183 0.000 1.203 53 A CA 2.341 54.307 52.037 -0.118 0.000 0.638 53 A CB -1.808 17.117 19.000 -0.124 0.000 0.831 53 A HN 0.442 nan 8.150 nan 0.000 0.450 54 G N -0.803 107.880 108.800 -0.196 0.000 2.513 54 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.219 54 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.219 54 G C 1.742 176.567 174.900 -0.126 0.000 1.160 54 G CA 1.866 46.866 45.100 -0.166 0.000 0.767 54 G HN 0.989 nan 8.290 nan 0.000 0.571 55 A N 0.807 123.588 122.820 -0.065 0.000 1.930 55 A HA 0.390 4.710 4.320 -0.000 0.000 0.217 55 A C 2.786 180.235 177.584 -0.225 0.000 1.175 55 A CA 2.036 54.082 52.037 0.016 0.000 0.627 55 A CB -0.610 18.504 19.000 0.190 0.000 0.815 55 A HN 0.772 nan 8.150 nan 0.000 0.443 56 A N -0.467 122.166 122.820 -0.311 0.000 1.873 56 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 56 A C 2.197 179.271 177.584 -0.850 0.000 1.186 56 A CA 1.633 53.175 52.037 -0.825 0.000 0.616 56 A CB -0.974 17.779 19.000 -0.413 0.000 0.823 56 A HN 0.353 nan 8.150 nan 0.000 0.442 57 V N -0.030 119.514 119.914 -0.618 0.000 2.324 57 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 57 V C 3.028 178.834 176.094 -0.480 0.000 1.060 57 V CA 2.167 64.078 62.300 -0.648 0.000 1.042 57 V CB -1.151 30.233 31.823 -0.733 0.000 0.650 57 V HN 0.622 nan 8.190 nan 0.000 0.450 58 A N -0.591 122.018 122.820 -0.352 0.000 1.929 58 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 58 A C 2.372 179.738 177.584 -0.363 0.000 1.176 58 A CA 1.735 53.634 52.037 -0.231 0.000 0.628 58 A CB -0.583 18.353 19.000 -0.107 0.000 0.816 58 A HN 0.550 nan 8.150 nan 0.000 0.444 59 A N -0.164 122.212 122.820 -0.739 0.000 1.855 59 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 59 A C 1.731 178.925 177.584 -0.649 0.000 1.191 59 A CA 1.359 52.693 52.037 -1.171 0.000 0.613 59 A CB -0.415 17.618 19.000 -1.612 0.000 0.829 59 A HN 0.420 nan 8.150 nan 0.000 0.442 60 E N 0.119 119.937 120.200 -0.637 0.000 2.526 60 E HA 0.026 4.376 4.350 -0.000 0.000 0.198 60 E C 0.852 177.324 176.600 -0.214 0.000 1.091 60 E CA 0.380 56.550 56.400 -0.383 0.000 0.880 60 E CB 0.059 29.454 29.700 -0.509 0.000 0.873 60 E HN 0.425 nan 8.360 nan 0.000 0.527 61 S N -0.848 114.754 115.700 -0.163 0.000 2.578 61 S HA 0.060 4.529 4.470 -0.000 0.000 0.228 61 S C 1.306 175.971 174.600 0.108 0.000 1.022 61 S CA 0.399 58.614 58.200 0.024 0.000 0.967 61 S CB 0.411 63.738 63.200 0.210 0.000 0.914 61 S HN 0.351 nan 8.310 nan 0.000 0.515 62 S N -0.187 115.527 115.700 0.023 0.000 4.567 62 S HA 0.086 4.556 4.470 -0.000 0.000 0.167 62 S C 1.479 176.087 174.600 0.013 0.000 1.007 62 S CA 0.645 58.879 58.200 0.056 0.000 1.212 62 S CB -0.197 63.102 63.200 0.165 0.000 1.741 62 S HN 0.342 nan 8.310 nan 0.000 0.689 63 T N -0.707 113.875 114.554 0.047 0.000 2.964 63 T HA 0.482 4.832 4.350 -0.000 0.000 0.249 63 T C 0.935 175.662 174.700 0.045 0.000 1.000 63 T CA 0.498 62.637 62.100 0.065 0.000 0.992 63 T CB -0.053 68.908 68.868 0.155 0.000 1.087 63 T HN 0.701 nan 8.240 nan 0.000 0.489 64 G N 0.284 109.071 108.800 -0.021 0.000 2.488 64 G HA2 0.556 4.516 3.960 -0.000 0.000 0.318 64 G HA3 0.556 4.516 3.960 -0.000 0.000 0.318 64 G C -0.821 174.082 174.900 0.004 0.000 1.188 64 G CA -0.266 44.829 45.100 -0.009 0.000 0.944 64 G HN 0.299 nan 8.290 nan 0.000 0.495 65 T N -1.332 113.286 114.554 0.107 0.000 2.676 65 T HA 0.412 4.762 4.350 -0.000 0.000 0.269 65 T C 0.667 175.565 174.700 0.330 0.000 0.952 65 T CA -0.480 61.737 62.100 0.194 0.000 1.040 65 T CB 0.836 69.765 68.868 0.102 0.000 1.352 65 T HN 0.682 nan 8.240 nan 0.000 0.554 66 W N 0.886 122.330 121.300 0.241 0.000 2.800 66 W HA 0.293 4.952 4.660 -0.000 0.000 0.249 66 W C 0.313 176.867 176.519 0.058 0.000 1.294 66 W CA 0.426 57.867 57.345 0.158 0.000 1.402 66 W CB -0.991 28.544 29.460 0.124 0.000 1.126 66 W HN 0.558 nan 8.180 nan 0.000 0.652 67 T N 0.497 114.632 114.554 -0.698 0.000 2.804 67 T HA 0.366 4.716 4.350 -0.000 0.000 0.290 67 T C -0.545 173.979 174.700 -0.294 0.000 1.099 67 T CA -0.296 61.416 62.100 -0.647 0.000 1.011 67 T CB 1.817 69.920 68.868 -1.276 0.000 1.291 67 T HN -0.238 nan 8.240 nan 0.000 0.523 68 T N 2.206 116.681 114.554 -0.130 0.000 2.749 68 T HA 0.520 4.870 4.350 -0.000 0.000 0.295 68 T C -0.131 174.675 174.700 0.178 0.000 0.936 68 T CA -0.392 61.748 62.100 0.066 0.000 1.060 68 T CB 0.061 69.009 68.868 0.133 0.000 0.904 68 T HN 0.663 nan 8.240 nan 0.000 0.500 69 V N 4.273 124.211 119.914 0.040 0.000 2.459 69 V HA 0.449 4.569 4.120 -0.000 0.000 0.295 69 V C 1.388 177.285 176.094 -0.328 0.000 1.029 69 V CA -1.122 61.099 62.300 -0.132 0.000 0.874 69 V CB 1.062 32.752 31.823 -0.222 0.000 0.985 69 V HN 1.028 nan 8.190 nan 0.000 0.438 70 W N 3.456 124.192 121.300 -0.940 0.000 2.325 70 W HA -0.224 4.436 4.660 -0.000 0.000 0.299 70 W C 1.598 177.880 176.519 -0.395 0.000 1.215 70 W CA 2.264 59.016 57.345 -0.987 0.000 1.244 70 W CB -1.922 26.712 29.460 -1.375 0.000 1.140 70 W HN 0.798 nan 8.180 nan 0.000 0.523 71 T N -0.652 113.321 114.554 -0.968 0.000 2.848 71 T HA -0.302 4.048 4.350 -0.000 0.000 0.269 71 T C 1.120 175.615 174.700 -0.342 0.000 1.081 71 T CA 1.967 63.548 62.100 -0.865 0.000 1.125 71 T CB -0.755 67.505 68.868 -1.014 0.000 0.848 71 T HN -0.010 nan 8.240 nan 0.000 0.503 72 D N 1.946 122.211 120.400 -0.225 0.000 2.182 72 D HA -0.010 4.629 4.640 -0.000 0.000 0.201 72 D C 2.268 178.550 176.300 -0.029 0.000 0.986 72 D CA 1.350 55.298 54.000 -0.087 0.000 0.847 72 D CB -0.944 39.839 40.800 -0.029 0.000 0.942 72 D HN 0.627 nan 8.370 nan 0.000 0.467 73 G N -0.401 108.396 108.800 -0.005 0.000 2.776 73 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.209 73 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.209 73 G C 1.329 176.256 174.900 0.045 0.000 1.145 73 G CA 0.016 45.144 45.100 0.048 0.000 0.791 73 G HN 0.159 nan 8.290 nan 0.000 0.530 74 L N -0.362 120.863 121.223 0.005 0.000 2.307 74 L HA 0.275 4.615 4.340 -0.000 0.000 0.211 74 L C 1.823 178.703 176.870 0.017 0.000 1.099 74 L CA 0.975 55.822 54.840 0.011 0.000 0.816 74 L CB 0.024 42.056 42.059 -0.046 0.000 0.952 74 L HN 0.213 nan 8.230 nan 0.000 0.455 75 T N -2.442 112.122 114.554 0.018 0.000 2.688 75 T HA 0.519 4.869 4.350 -0.000 0.000 0.249 75 T C -0.631 174.119 174.700 0.083 0.000 0.944 75 T CA 0.079 62.221 62.100 0.070 0.000 1.058 75 T CB 1.155 70.059 68.868 0.060 0.000 1.673 75 T HN 0.088 nan 8.240 nan 0.000 0.565 76 S N 1.400 117.181 115.700 0.135 0.000 2.775 76 S HA 0.382 4.852 4.470 -0.000 0.000 0.277 76 S C 0.830 175.484 174.600 0.090 0.000 1.156 76 S CA -0.840 57.404 58.200 0.074 0.000 1.081 76 S CB 0.497 63.709 63.200 0.020 0.000 1.054 76 S HN 0.587 nan 8.310 nan 0.000 0.482 77 L N 1.960 123.218 121.223 0.057 0.000 2.362 77 L HA -0.033 4.307 4.340 -0.000 0.000 0.219 77 L C 1.636 178.489 176.870 -0.029 0.000 1.134 77 L CA 0.927 55.798 54.840 0.052 0.000 0.807 77 L CB -0.713 41.347 42.059 0.002 0.000 0.927 77 L HN 0.701 nan 8.230 nan 0.000 0.447 78 D N 0.408 120.772 120.400 -0.059 0.000 2.178 78 D HA -0.181 4.458 4.640 -0.000 0.000 0.201 78 D C 2.240 178.468 176.300 -0.119 0.000 0.980 78 D CA 1.088 55.036 54.000 -0.086 0.000 0.842 78 D CB 0.123 40.883 40.800 -0.066 0.000 0.948 78 D HN 0.307 nan 8.370 nan 0.000 0.472 79 R N -0.834 119.547 120.500 -0.199 0.000 2.090 79 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 79 R C 1.764 177.789 176.300 -0.459 0.000 1.110 79 R CA 0.957 56.816 56.100 -0.402 0.000 0.973 79 R CB 0.142 29.974 30.300 -0.781 0.000 0.869 79 R HN 0.232 nan 8.270 nan 0.000 0.440 80 Y N 0.484 120.777 120.300 -0.012 0.000 2.500 80 Y HA 0.085 4.634 4.550 -0.000 0.000 0.284 80 Y C 0.330 176.234 175.900 0.006 0.000 1.118 80 Y CA -0.182 57.915 58.100 -0.006 0.000 1.241 80 Y CB -0.164 38.289 38.460 -0.012 0.000 1.171 80 Y HN -0.114 nan 8.280 nan 0.000 0.540 81 K N 1.630 122.112 120.400 0.136 0.000 2.569 81 K HA 0.114 4.434 4.320 -0.000 0.000 0.280 81 K C 0.502 177.146 176.600 0.074 0.000 0.984 81 K CA 0.569 56.938 56.287 0.138 0.000 1.064 81 K CB 0.228 32.708 32.500 -0.033 0.000 0.866 81 K HN 0.205 nan 8.250 nan 0.000 0.492 82 G N 2.772 111.656 108.800 0.140 0.000 2.476 82 G HA2 0.328 4.287 3.960 -0.000 0.000 0.269 82 G HA3 0.328 4.287 3.960 -0.000 0.000 0.269 82 G C -0.802 174.060 174.900 -0.063 0.000 1.195 82 G CA -1.021 44.046 45.100 -0.056 0.000 0.843 82 G HN 0.861 nan 8.290 nan 0.000 0.545 83 R N -0.017 120.351 120.500 -0.219 0.000 2.584 83 R HA 0.425 4.765 4.340 -0.000 0.000 0.276 83 R C -1.509 174.799 176.300 0.013 0.000 1.046 83 R CA -0.792 55.243 56.100 -0.109 0.000 0.906 83 R CB 0.826 30.956 30.300 -0.283 0.000 1.215 83 R HN 0.455 nan 8.270 nan 0.000 0.449 84 C N 5.514 124.874 119.300 0.101 0.000 2.383 84 C HA 0.292 4.752 4.460 -0.000 0.000 0.350 84 C C 0.554 175.669 174.990 0.210 0.000 1.173 84 C CA -0.544 58.578 59.018 0.173 0.000 1.645 84 C CB -1.651 26.221 27.740 0.219 0.000 2.221 84 C HN 0.904 nan 8.230 nan 0.000 0.528 85 Y N 4.852 125.214 120.300 0.104 0.000 2.485 85 Y HA 0.423 4.973 4.550 -0.000 0.000 0.260 85 Y C 0.550 176.507 175.900 0.094 0.000 1.173 85 Y CA -0.666 57.474 58.100 0.067 0.000 1.252 85 Y CB -0.322 38.232 38.460 0.156 0.000 1.123 85 Y HN 0.707 nan 8.280 nan 0.000 0.524 86 R N -0.333 120.084 120.500 -0.138 0.000 4.106 86 R HA 0.375 4.715 4.340 -0.000 0.000 0.252 86 R C -2.201 174.143 176.300 0.074 0.000 0.977 86 R CA -0.669 55.397 56.100 -0.056 0.000 1.118 86 R CB -0.135 30.024 30.300 -0.234 0.000 1.237 86 R HN 0.228 nan 8.270 nan 0.000 0.587 87 I N 1.128 121.773 120.570 0.125 0.000 2.797 87 I HA 0.534 4.704 4.170 -0.000 0.000 0.307 87 I C -0.306 175.915 176.117 0.173 0.000 1.033 87 I CA -1.025 60.354 61.300 0.133 0.000 1.071 87 I CB 2.345 40.332 38.000 -0.021 0.000 1.255 87 I HN 0.623 nan 8.210 nan 0.000 0.445 88 E N 2.692 123.046 120.200 0.258 0.000 2.343 88 E HA 0.417 4.766 4.350 -0.000 0.000 0.278 88 E C -1.290 175.478 176.600 0.280 0.000 0.910 88 E CA -0.920 55.620 56.400 0.233 0.000 0.757 88 E CB 2.922 32.760 29.700 0.230 0.000 1.218 88 E HN 0.428 nan 8.360 nan 0.000 0.435 89 R N 0.806 121.414 120.500 0.180 0.000 2.490 89 R HA 0.323 4.663 4.340 -0.000 0.000 0.278 89 R C -0.525 175.765 176.300 -0.016 0.000 1.069 89 R CA -0.470 55.643 56.100 0.021 0.000 1.080 89 R CB 1.045 31.312 30.300 -0.055 0.000 1.030 89 R HN 0.194 nan 8.270 nan 0.000 0.491 90 V N 4.357 124.201 119.914 -0.117 0.000 2.387 90 V HA 0.015 4.135 4.120 -0.000 0.000 0.260 90 V C 0.363 176.417 176.094 -0.067 0.000 1.054 90 V CA -0.282 61.982 62.300 -0.059 0.000 0.967 90 V CB 1.041 32.825 31.823 -0.065 0.000 1.036 90 V HN 0.488 nan 8.190 nan 0.000 0.481 91 V N 6.835 126.732 119.914 -0.029 0.000 2.557 91 V HA 0.421 4.540 4.120 -0.000 0.000 0.301 91 V C 1.151 177.229 176.094 -0.028 0.000 1.026 91 V CA 0.953 63.236 62.300 -0.027 0.000 1.137 91 V CB 0.213 32.028 31.823 -0.014 0.000 0.917 91 V HN 1.442 nan 8.190 nan 0.000 0.484 92 G N 4.551 113.331 108.800 -0.034 0.000 2.381 92 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.281 92 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.281 92 G C -0.395 174.486 174.900 -0.033 0.000 0.984 92 G CA 0.693 45.776 45.100 -0.028 0.000 1.339 92 G HN 1.375 nan 8.290 nan 0.000 0.485 93 E N -0.586 119.580 120.200 -0.056 0.000 2.422 93 E HA 0.472 4.822 4.350 -0.000 0.000 0.289 93 E C -0.269 176.274 176.600 -0.094 0.000 0.985 93 E CA -0.985 55.377 56.400 -0.063 0.000 0.812 93 E CB 0.700 30.361 29.700 -0.064 0.000 1.226 93 E HN 0.232 nan 8.360 nan 0.000 0.419 94 K N 2.196 122.558 120.400 -0.063 0.000 2.405 94 K HA 0.017 4.336 4.320 -0.000 0.000 0.273 94 K C -0.592 175.954 176.600 -0.090 0.000 1.116 94 K CA 0.390 56.645 56.287 -0.054 0.000 1.155 94 K CB -0.148 32.339 32.500 -0.023 0.000 0.858 94 K HN 0.512 nan 8.250 nan 0.000 0.477 95 D N 2.645 122.981 120.400 -0.107 0.000 3.570 95 D HA -0.252 4.387 4.640 -0.000 0.000 0.192 95 D C -0.693 175.498 176.300 -0.183 0.000 1.244 95 D CA 1.047 54.958 54.000 -0.149 0.000 0.628 95 D CB -0.202 40.609 40.800 0.019 0.000 0.998 95 D HN 0.442 nan 8.370 nan 0.000 0.439 96 Q N 0.998 120.578 119.800 -0.367 0.000 2.337 96 Q HA 0.479 4.819 4.340 -0.000 0.000 0.270 96 Q C -1.307 174.425 176.000 -0.446 0.000 1.043 96 Q CA -0.838 54.831 55.803 -0.223 0.000 0.794 96 Q CB 1.010 29.694 28.738 -0.091 0.000 1.281 96 Q HN 0.249 nan 8.270 nan 0.000 0.446 97 Y N 1.601 121.907 120.300 0.010 0.000 2.693 97 Y HA 0.570 5.120 4.550 -0.000 0.000 0.331 97 Y C -0.330 175.584 175.900 0.022 0.000 1.092 97 Y CA -1.229 56.884 58.100 0.022 0.000 1.131 97 Y CB 1.264 39.731 38.460 0.012 0.000 1.318 97 Y HN 0.448 nan 8.280 nan 0.000 0.510 98 I N 1.778 122.503 120.570 0.259 0.000 2.437 98 I HA 0.470 4.639 4.170 -0.000 0.000 0.279 98 I C -0.281 175.928 176.117 0.153 0.000 1.028 98 I CA -1.186 60.188 61.300 0.122 0.000 1.142 98 I CB 0.331 38.412 38.000 0.135 0.000 1.266 98 I HN 0.644 nan 8.210 nan 0.000 0.461 99 A N 6.690 129.559 122.820 0.081 0.000 2.309 99 A HA 0.701 5.020 4.320 -0.000 0.000 0.298 99 A C -1.331 176.293 177.584 0.066 0.000 1.165 99 A CA -0.232 51.869 52.037 0.106 0.000 0.821 99 A CB 0.380 19.405 19.000 0.042 0.000 1.102 99 A HN 0.467 nan 8.150 nan 0.000 0.500 100 Y N 1.318 121.570 120.300 -0.078 0.000 2.335 100 Y HA 0.507 5.056 4.550 -0.000 0.000 0.338 100 Y C 0.052 175.888 175.900 -0.106 0.000 0.977 100 Y CA -0.656 57.352 58.100 -0.153 0.000 1.114 100 Y CB 1.858 40.006 38.460 -0.519 0.000 1.182 100 Y HN 0.418 nan 8.280 nan 0.000 0.463 101 V N 2.308 122.378 119.914 0.261 0.000 2.769 101 V HA 0.901 5.021 4.120 -0.000 0.000 0.312 101 V C -0.445 175.751 176.094 0.170 0.000 1.061 101 V CA -1.187 61.219 62.300 0.177 0.000 0.931 101 V CB 1.810 33.634 31.823 0.000 0.000 1.010 101 V HN 0.825 nan 8.190 nan 0.000 0.433 102 A N 3.016 125.827 122.820 -0.014 0.000 2.343 102 A HA 0.863 5.182 4.320 -0.000 0.000 0.316 102 A C -1.658 175.778 177.584 -0.246 0.000 1.104 102 A CA -0.405 51.589 52.037 -0.072 0.000 0.768 102 A CB 0.843 19.779 19.000 -0.107 0.000 1.213 102 A HN 0.723 nan 8.150 nan 0.000 0.456 103 Y N 3.052 123.407 120.300 0.092 0.000 2.326 103 Y HA 0.435 4.984 4.550 -0.000 0.000 0.331 103 Y C -2.216 173.790 175.900 0.177 0.000 0.962 103 Y CA -2.562 55.632 58.100 0.156 0.000 1.167 103 Y CB 1.828 40.488 38.460 0.332 0.000 1.148 103 Y HN 0.494 nan 8.280 nan 0.000 0.463 104 P HA -0.041 nan 4.420 nan 0.000 0.269 104 P C 0.845 178.308 177.300 0.273 0.000 1.209 104 P CA -0.179 63.035 63.100 0.189 0.000 0.776 104 P CB 1.277 33.039 31.700 0.104 0.000 0.876 105 L N 3.034 124.382 121.223 0.208 0.000 2.013 105 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 105 L C 1.616 178.646 176.870 0.266 0.000 1.073 105 L CA 2.106 57.080 54.840 0.225 0.000 0.753 105 L CB -1.436 40.710 42.059 0.144 0.000 0.890 105 L HN 0.283 nan 8.230 nan 0.000 0.432 106 D N -0.888 119.634 120.400 0.204 0.000 2.280 106 D HA -0.222 4.418 4.640 -0.000 0.000 0.206 106 D C 2.131 178.518 176.300 0.144 0.000 0.988 106 D CA 1.072 55.198 54.000 0.210 0.000 0.886 106 D CB -0.170 40.818 40.800 0.313 0.000 0.914 106 D HN 0.372 nan 8.370 nan 0.000 0.473 107 L N -1.026 120.218 121.223 0.035 0.000 2.478 107 L HA 0.049 4.389 4.340 -0.000 0.000 0.223 107 L C 0.026 176.596 176.870 -0.500 0.000 1.140 107 L CA 0.191 54.855 54.840 -0.294 0.000 0.842 107 L CB -0.079 41.641 42.059 -0.564 0.000 0.953 107 L HN -0.074 nan 8.230 nan 0.000 0.452 108 F N -0.344 119.591 119.950 -0.026 0.000 2.469 108 F HA 0.315 4.841 4.527 -0.000 0.000 0.332 108 F C 0.603 176.477 175.800 0.123 0.000 1.103 108 F CA -1.109 56.883 58.000 -0.015 0.000 0.979 108 F CB 1.134 39.980 39.000 -0.256 0.000 1.137 108 F HN -0.180 nan 8.300 nan 0.000 0.463 109 E N 1.875 122.264 120.200 0.314 0.000 2.360 109 E HA 0.153 4.503 4.350 -0.000 0.000 0.269 109 E C -0.757 176.011 176.600 0.281 0.000 1.022 109 E CA -0.528 55.999 56.400 0.213 0.000 0.887 109 E CB 0.667 30.437 29.700 0.115 0.000 0.990 109 E HN 0.533 nan 8.360 nan 0.000 0.426 110 E N 2.019 122.303 120.200 0.140 0.000 2.390 110 E HA 0.263 4.613 4.350 -0.000 0.000 0.261 110 E C 0.962 177.363 176.600 -0.332 0.000 1.076 110 E CA 0.902 57.278 56.400 -0.040 0.000 0.905 110 E CB 0.687 30.359 29.700 -0.047 0.000 0.984 110 E HN 0.792 nan 8.360 nan 0.000 0.427 111 G N 1.606 109.856 108.800 -0.917 0.000 2.205 111 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.269 111 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.269 111 G C 0.434 174.849 174.900 -0.809 0.000 0.977 111 G CA 0.782 45.131 45.100 -1.252 0.000 0.652 111 G HN 0.474 nan 8.290 nan 0.000 0.539 112 S N -0.459 115.061 115.700 -0.301 0.000 2.577 112 S HA 0.522 4.991 4.470 -0.000 0.000 0.294 112 S C 1.466 176.173 174.600 0.179 0.000 1.161 112 S CA 0.027 58.237 58.200 0.016 0.000 1.143 112 S CB 1.244 64.470 63.200 0.043 0.000 0.991 112 S HN 0.457 nan 8.310 nan 0.000 0.475 113 V N 4.624 124.588 119.914 0.084 0.000 2.407 113 V HA -0.144 3.975 4.120 -0.000 0.000 0.248 113 V C 2.549 178.487 176.094 -0.260 0.000 1.055 113 V CA 2.413 64.570 62.300 -0.238 0.000 1.049 113 V CB -1.037 30.324 31.823 -0.769 0.000 0.662 113 V HN 0.821 nan 8.190 nan 0.000 0.455 114 T N 0.177 114.656 114.554 -0.126 0.000 2.653 114 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 114 T C 1.906 176.670 174.700 0.106 0.000 1.035 114 T CA 2.079 64.200 62.100 0.035 0.000 1.154 114 T CB -0.524 68.393 68.868 0.082 0.000 0.862 114 T HN 0.586 nan 8.240 nan 0.000 0.441 115 N N 0.714 119.486 118.700 0.121 0.000 2.039 115 N HA -0.116 4.623 4.740 -0.000 0.000 0.193 115 N C 2.141 177.789 175.510 0.230 0.000 1.044 115 N CA 1.662 54.806 53.050 0.157 0.000 0.847 115 N CB -0.324 38.267 38.487 0.174 0.000 1.030 115 N HN 0.395 nan 8.380 nan 0.000 0.422 116 M N -0.267 119.524 119.600 0.318 0.000 2.108 116 M HA -0.219 4.261 4.480 -0.000 0.000 0.257 116 M C 1.646 178.152 176.300 0.344 0.000 1.071 116 M CA 1.707 57.236 55.300 0.383 0.000 1.093 116 M CB -0.193 32.539 32.600 0.220 0.000 1.345 116 M HN 0.083 nan 8.290 nan 0.000 0.403 117 F N 0.523 120.488 119.950 0.026 0.000 2.163 117 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 117 F C 2.581 178.404 175.800 0.039 0.000 1.094 117 F CA 1.702 59.713 58.000 0.018 0.000 1.290 117 F CB -1.435 37.585 39.000 0.033 0.000 1.017 117 F HN 0.188 nan 8.300 nan 0.000 0.483 118 T N -0.826 113.870 114.554 0.236 0.000 2.759 118 T HA -0.173 4.176 4.350 -0.000 0.000 0.269 118 T C 2.290 177.033 174.700 0.072 0.000 1.042 118 T CA 1.709 63.886 62.100 0.129 0.000 1.140 118 T CB -0.367 68.559 68.868 0.096 0.000 0.864 118 T HN 0.140 nan 8.240 nan 0.000 0.455 119 S N 0.909 116.637 115.700 0.046 0.000 2.311 119 S HA 0.123 4.593 4.470 -0.000 0.000 0.209 119 S C 2.059 176.640 174.600 -0.030 0.000 1.029 119 S CA 0.581 58.753 58.200 -0.047 0.000 0.968 119 S CB -0.424 62.653 63.200 -0.206 0.000 0.946 119 S HN 0.338 nan 8.310 nan 0.000 0.450 120 I N 1.107 121.636 120.570 -0.068 0.000 2.248 120 I HA -0.114 4.055 4.170 -0.000 0.000 0.248 120 I C 1.372 177.607 176.117 0.197 0.000 1.107 120 I CA 1.051 62.351 61.300 0.001 0.000 1.373 120 I CB -0.035 37.904 38.000 -0.102 0.000 1.055 120 I HN 0.120 nan 8.210 nan 0.000 0.418 121 V N 0.085 120.046 119.914 0.078 0.000 3.253 121 V HA 0.241 4.361 4.120 -0.000 0.000 0.320 121 V C 1.726 177.839 176.094 0.031 0.000 1.442 121 V CA 0.558 62.907 62.300 0.081 0.000 1.097 121 V CB 0.283 31.967 31.823 -0.231 0.000 1.008 121 V HN 0.438 nan 8.190 nan 0.000 0.463 122 G N 1.421 110.260 108.800 0.065 0.000 2.604 122 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 122 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 122 G C 1.177 176.131 174.900 0.090 0.000 1.265 122 G CA 1.388 46.526 45.100 0.064 0.000 0.804 122 G HN 0.542 nan 8.290 nan 0.000 0.579 123 N N -0.358 118.418 118.700 0.127 0.000 2.382 123 N HA 0.013 4.753 4.740 -0.000 0.000 0.200 123 N C 2.320 178.006 175.510 0.293 0.000 1.122 123 N CA 0.882 54.049 53.050 0.195 0.000 0.870 123 N CB 0.132 38.750 38.487 0.218 0.000 1.176 123 N HN 0.304 nan 8.380 nan 0.000 0.474 124 V N -0.565 119.454 119.914 0.175 0.000 2.324 124 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 124 V C 1.739 177.933 176.094 0.166 0.000 1.060 124 V CA 1.506 63.793 62.300 -0.023 0.000 1.042 124 V CB -1.289 30.341 31.823 -0.320 0.000 0.650 124 V HN -0.051 nan 8.190 nan 0.000 0.450 125 F N 2.490 122.453 119.950 0.022 0.000 2.449 125 F HA 0.199 4.726 4.527 -0.000 0.000 0.299 125 F C 2.235 178.150 175.800 0.191 0.000 1.092 125 F CA 1.073 59.114 58.000 0.069 0.000 1.446 125 F CB -1.019 37.984 39.000 0.004 0.000 1.084 125 F HN 0.389 nan 8.300 nan 0.000 0.567 126 G N -1.937 107.084 108.800 0.369 0.000 3.453 126 G HA2 0.081 4.041 3.960 -0.000 0.000 0.263 126 G HA3 0.081 4.041 3.960 -0.000 0.000 0.263 126 G C 0.079 175.083 174.900 0.174 0.000 1.060 126 G CA -0.250 44.992 45.100 0.236 0.000 0.793 126 G HN -0.005 nan 8.290 nan 0.000 0.532 127 F N 1.349 121.319 119.950 0.034 0.000 2.607 127 F HA 0.168 4.694 4.527 -0.000 0.000 0.374 127 F C 1.792 177.599 175.800 0.011 0.000 1.104 127 F CA 0.297 58.303 58.000 0.011 0.000 1.296 127 F CB 1.065 40.052 39.000 -0.022 0.000 1.085 127 F HN -0.033 nan 8.300 nan 0.000 0.584 128 K N 2.751 123.084 120.400 -0.112 0.000 2.057 128 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 128 K C 2.079 178.707 176.600 0.045 0.000 1.049 128 K CA 1.296 57.558 56.287 -0.040 0.000 0.931 128 K CB -0.226 32.222 32.500 -0.086 0.000 0.714 128 K HN 0.732 nan 8.250 nan 0.000 0.440 129 A N 1.015 123.902 122.820 0.111 0.000 2.131 129 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 129 A C 0.857 178.503 177.584 0.103 0.000 1.158 129 A CA 1.040 53.150 52.037 0.123 0.000 0.665 129 A CB -0.462 18.652 19.000 0.190 0.000 0.795 129 A HN 0.126 nan 8.150 nan 0.000 0.460 130 L N -2.302 118.991 121.223 0.116 0.000 2.332 130 L HA 0.530 4.870 4.340 -0.000 0.000 0.269 130 L C 1.306 178.216 176.870 0.068 0.000 1.016 130 L CA -0.752 54.130 54.840 0.069 0.000 0.809 130 L CB 1.607 43.690 42.059 0.039 0.000 1.280 130 L HN 0.388 nan 8.230 nan 0.000 0.447 131 R N 0.390 120.924 120.500 0.058 0.000 2.342 131 R HA 0.669 5.008 4.340 -0.000 0.000 0.204 131 R C 0.026 176.365 176.300 0.067 0.000 0.882 131 R CA 0.153 56.281 56.100 0.047 0.000 1.041 131 R CB 0.598 30.918 30.300 0.032 0.000 1.188 131 R HN 0.535 nan 8.270 nan 0.000 0.598 132 A N 0.919 123.802 122.820 0.105 0.000 2.594 132 A HA 0.719 5.039 4.320 -0.000 0.000 0.295 132 A C -2.072 175.597 177.584 0.142 0.000 1.071 132 A CA -0.688 51.504 52.037 0.259 0.000 0.685 132 A CB 2.013 21.140 19.000 0.212 0.000 1.285 132 A HN 0.100 nan 8.150 nan 0.000 0.405 133 L N 0.643 121.898 121.223 0.054 0.000 2.466 133 L HA 0.939 5.278 4.340 -0.000 0.000 0.258 133 L C -0.718 175.834 176.870 -0.530 0.000 0.973 133 L CA -0.204 54.375 54.840 -0.434 0.000 0.826 133 L CB 2.173 43.728 42.059 -0.839 0.000 1.372 133 L HN 0.987 nan 8.230 nan 0.000 0.409 134 R N 3.515 123.820 120.500 -0.324 0.000 2.515 134 R HA 0.657 4.997 4.340 -0.000 0.000 0.278 134 R C -2.184 174.167 176.300 0.085 0.000 1.107 134 R CA -0.667 55.420 56.100 -0.020 0.000 0.945 134 R CB 1.457 31.791 30.300 0.057 0.000 1.219 134 R HN 0.661 nan 8.270 nan 0.000 0.434 135 L N 3.761 125.126 121.223 0.237 0.000 2.290 135 L HA 0.400 4.740 4.340 -0.000 0.000 0.284 135 L C 0.272 177.109 176.870 -0.055 0.000 1.078 135 L CA 0.427 55.285 54.840 0.031 0.000 0.815 135 L CB 1.340 43.441 42.059 0.070 0.000 1.162 135 L HN 0.825 nan 8.230 nan 0.000 0.435 136 E N 2.158 122.223 120.200 -0.226 0.000 2.251 136 E HA 0.145 4.495 4.350 -0.000 0.000 0.194 136 E C -0.380 176.067 176.600 -0.256 0.000 0.964 136 E CA 0.398 56.623 56.400 -0.291 0.000 0.868 136 E CB 0.435 29.743 29.700 -0.653 0.000 0.828 136 E HN 0.724 nan 8.360 nan 0.000 0.481 137 D N -1.142 119.105 120.400 -0.256 0.000 2.683 137 D HA 0.378 5.018 4.640 -0.000 0.000 0.246 137 D C -1.631 174.690 176.300 0.035 0.000 1.238 137 D CA -0.446 53.539 54.000 -0.024 0.000 0.759 137 D CB 1.190 42.011 40.800 0.036 0.000 1.349 137 D HN -0.146 nan 8.370 nan 0.000 0.426 138 L N 1.357 122.574 121.223 -0.010 0.000 2.436 138 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 138 L C -0.114 176.553 176.870 -0.339 0.000 0.974 138 L CA -0.820 53.891 54.840 -0.216 0.000 0.826 138 L CB 2.353 44.297 42.059 -0.192 0.000 1.291 138 L HN 0.220 nan 8.230 nan 0.000 0.406 139 R N 4.095 124.174 120.500 -0.702 0.000 2.205 139 R HA 0.393 4.733 4.340 -0.000 0.000 0.342 139 R C -0.887 175.155 176.300 -0.429 0.000 1.058 139 R CA -0.638 55.089 56.100 -0.622 0.000 0.904 139 R CB 0.506 30.276 30.300 -0.884 0.000 1.089 139 R HN 0.434 nan 8.270 nan 0.000 0.471 140 I N 7.709 128.041 120.570 -0.396 0.000 2.301 140 I HA 0.242 4.411 4.170 -0.000 0.000 0.292 140 I C -1.834 174.127 176.117 -0.259 0.000 1.046 140 I CA -2.998 58.117 61.300 -0.309 0.000 1.282 140 I CB 0.818 38.638 38.000 -0.299 0.000 1.409 140 I HN 0.349 nan 8.210 nan 0.000 0.484 141 P HA 0.186 nan 4.420 nan 0.000 0.272 141 P C -2.285 174.995 177.300 -0.033 0.000 1.223 141 P CA -1.315 61.726 63.100 -0.099 0.000 0.784 141 P CB 0.482 32.149 31.700 -0.055 0.000 0.923 142 P HA -0.176 nan 4.420 nan 0.000 0.217 142 P C 1.491 178.831 177.300 0.066 0.000 1.148 142 P CA 2.129 65.244 63.100 0.024 0.000 0.828 142 P CB -0.389 31.328 31.700 0.029 0.000 0.783 143 A N -2.378 120.486 122.820 0.074 0.000 2.067 143 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 143 A C 2.050 179.745 177.584 0.184 0.000 1.158 143 A CA 1.286 53.387 52.037 0.107 0.000 0.661 143 A CB -1.435 17.622 19.000 0.096 0.000 0.801 143 A HN 0.188 nan 8.150 nan 0.000 0.452 144 Y N -0.884 119.436 120.300 0.034 0.000 2.441 144 Y HA 0.078 4.628 4.550 -0.000 0.000 0.288 144 Y C 2.272 178.281 175.900 0.181 0.000 1.118 144 Y CA 0.849 59.003 58.100 0.091 0.000 1.215 144 Y CB 0.015 38.466 38.460 -0.015 0.000 1.118 144 Y HN 0.024 nan 8.280 nan 0.000 0.547 145 V N 0.930 120.894 119.914 0.083 0.000 2.252 145 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 145 V C 2.190 178.379 176.094 0.158 0.000 1.056 145 V CA 2.116 64.457 62.300 0.068 0.000 1.022 145 V CB -0.542 31.348 31.823 0.112 0.000 0.641 145 V HN 0.219 nan 8.190 nan 0.000 0.445 146 K N 0.653 121.125 120.400 0.120 0.000 2.520 146 K HA -0.131 4.189 4.320 -0.000 0.000 0.197 146 K C 1.891 178.528 176.600 0.061 0.000 1.044 146 K CA 1.612 57.953 56.287 0.090 0.000 0.938 146 K CB -0.953 31.586 32.500 0.066 0.000 0.767 146 K HN 0.797 nan 8.250 nan 0.000 0.481 147 T N -2.589 112.006 114.554 0.068 0.000 3.086 147 T HA 0.176 4.526 4.350 -0.000 0.000 0.250 147 T C 0.422 174.943 174.700 -0.299 0.000 1.074 147 T CA -0.373 61.653 62.100 -0.124 0.000 0.988 147 T CB -0.173 68.563 68.868 -0.219 0.000 0.988 147 T HN -0.188 nan 8.240 nan 0.000 0.530 148 F N 1.202 121.063 119.950 -0.147 0.000 2.483 148 F HA 0.518 5.045 4.527 -0.000 0.000 0.329 148 F C 1.552 177.313 175.800 -0.065 0.000 1.064 148 F CA -1.519 56.410 58.000 -0.118 0.000 0.986 148 F CB 1.971 40.880 39.000 -0.151 0.000 1.218 148 F HN -0.082 nan 8.300 nan 0.000 0.484 149 Q N 1.485 121.352 119.800 0.112 0.000 2.165 149 Q HA 0.310 4.650 4.340 -0.000 0.000 0.197 149 Q C 0.994 177.016 176.000 0.037 0.000 0.952 149 Q CA 1.040 56.879 55.803 0.060 0.000 0.848 149 Q CB 0.070 28.868 28.738 0.100 0.000 0.931 149 Q HN 0.974 nan 8.270 nan 0.000 0.470 150 G N 0.782 109.615 108.800 0.056 0.000 2.642 150 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.231 150 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.231 150 G C -2.515 172.331 174.900 -0.090 0.000 1.338 150 G CA -0.369 44.702 45.100 -0.049 0.000 0.883 150 G HN 0.370 nan 8.290 nan 0.000 0.570 151 P HA 0.213 nan 4.420 nan 0.000 0.264 151 P C -1.784 175.406 177.300 -0.183 0.000 1.183 151 P CA -0.599 62.413 63.100 -0.146 0.000 0.763 151 P CB 0.211 31.832 31.700 -0.131 0.000 0.807 152 P HA -0.196 nan 4.420 nan 0.000 0.216 152 P C 0.915 177.700 177.300 -0.859 0.000 1.157 152 P CA 2.023 64.829 63.100 -0.491 0.000 0.880 152 P CB -0.031 31.409 31.700 -0.433 0.000 0.791 153 H N -4.243 114.799 119.070 -0.046 0.000 2.602 153 H HA 0.321 4.877 4.556 -0.000 0.000 0.222 153 H C 1.133 176.447 175.328 -0.024 0.000 0.886 153 H CA 0.825 56.855 56.048 -0.030 0.000 1.008 153 H CB 0.062 29.811 29.762 -0.020 0.000 1.380 153 H HN 0.111 nan 8.280 nan 0.000 0.417 154 G N 1.793 110.644 108.800 0.085 0.000 2.755 154 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.686 154 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.686 154 G C 0.972 175.921 174.900 0.081 0.000 1.427 154 G CA -0.027 45.100 45.100 0.044 0.000 0.873 154 G HN 0.226 nan 8.290 nan 0.000 0.580 155 I N 0.165 120.773 120.570 0.063 0.000 2.141 155 I HA -0.407 3.763 4.170 -0.000 0.000 0.243 155 I C 2.878 179.041 176.117 0.077 0.000 1.035 155 I CA 2.856 64.198 61.300 0.071 0.000 1.302 155 I CB -0.302 37.732 38.000 0.057 0.000 1.006 155 I HN 0.838 nan 8.210 nan 0.000 0.413 156 Q N 1.097 120.944 119.800 0.078 0.000 2.016 156 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 156 Q C 2.337 178.393 176.000 0.093 0.000 0.978 156 Q CA 2.163 58.023 55.803 0.095 0.000 0.833 156 Q CB -0.125 28.666 28.738 0.089 0.000 0.895 156 Q HN 0.405 nan 8.270 nan 0.000 0.427 157 V N 1.568 121.535 119.914 0.088 0.000 2.407 157 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 157 V C 2.346 178.460 176.094 0.033 0.000 1.055 157 V CA 2.235 64.580 62.300 0.075 0.000 1.049 157 V CB -0.831 31.062 31.823 0.117 0.000 0.662 157 V HN 0.509 nan 8.190 nan 0.000 0.455 158 E N 0.319 120.548 120.200 0.049 0.000 2.058 158 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 158 E C 2.481 179.087 176.600 0.010 0.000 0.997 158 E CA 1.489 57.910 56.400 0.036 0.000 0.801 158 E CB -0.093 29.675 29.700 0.113 0.000 0.746 158 E HN 0.503 nan 8.360 nan 0.000 0.450 159 R N 0.326 120.823 120.500 -0.004 0.000 2.073 159 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 159 R C 2.080 178.275 176.300 -0.176 0.000 1.134 159 R CA 1.591 57.599 56.100 -0.153 0.000 0.952 159 R CB -0.305 29.890 30.300 -0.176 0.000 0.850 159 R HN 0.273 nan 8.270 nan 0.000 0.433 160 D N 0.381 120.793 120.400 0.020 0.000 2.182 160 D HA -0.143 4.496 4.640 -0.000 0.000 0.201 160 D C 1.749 178.080 176.300 0.051 0.000 0.986 160 D CA 1.141 55.210 54.000 0.116 0.000 0.847 160 D CB 0.056 40.936 40.800 0.134 0.000 0.942 160 D HN 0.072 nan 8.370 nan 0.000 0.467 161 K N 0.114 120.513 120.400 -0.002 0.000 2.044 161 K HA 0.094 4.414 4.320 -0.000 0.000 0.204 161 K C 2.181 178.776 176.600 -0.007 0.000 1.049 161 K CA 0.291 56.570 56.287 -0.014 0.000 0.945 161 K CB -0.280 32.182 32.500 -0.063 0.000 0.724 161 K HN 0.246 nan 8.250 nan 0.000 0.440 162 L N 0.557 121.766 121.223 -0.023 0.000 2.554 162 L HA 0.078 4.418 4.340 -0.000 0.000 0.226 162 L C 0.389 177.210 176.870 -0.081 0.000 1.137 162 L CA 0.065 54.891 54.840 -0.024 0.000 0.863 162 L CB -0.611 41.450 42.059 0.004 0.000 0.985 162 L HN 0.414 nan 8.230 nan 0.000 0.451 163 N N 1.388 120.019 118.700 -0.116 0.000 2.758 163 N HA -0.170 4.569 4.740 -0.000 0.000 0.248 163 N C -0.573 174.730 175.510 -0.344 0.000 1.076 163 N CA 0.437 53.422 53.050 -0.108 0.000 0.696 163 N CB -0.338 38.170 38.487 0.036 0.000 0.979 163 N HN 0.406 nan 8.380 nan 0.000 0.550 164 K N 1.451 121.429 120.400 -0.704 0.000 2.502 164 K HA 0.360 4.680 4.320 -0.000 0.000 0.254 164 K C -1.299 174.814 176.600 -0.813 0.000 0.947 164 K CA -0.378 55.559 56.287 -0.584 0.000 0.834 164 K CB 1.061 33.389 32.500 -0.287 0.000 1.112 164 K HN 0.091 nan 8.250 nan 0.000 0.427 165 Y N -0.474 119.834 120.300 0.013 0.000 2.633 165 Y HA 0.480 5.030 4.550 -0.001 0.000 0.339 165 Y C 0.864 176.774 175.900 0.017 0.000 1.045 165 Y CA -1.215 56.896 58.100 0.019 0.000 1.098 165 Y CB 1.776 40.247 38.460 0.019 0.000 1.296 165 Y HN 0.755 nan 8.280 nan 0.000 0.494 166 G N 2.540 111.449 108.800 0.181 0.000 2.331 166 G HA2 0.009 3.969 3.960 -0.000 0.000 0.254 166 G HA3 0.009 3.969 3.960 -0.000 0.000 0.254 166 G C -0.446 174.499 174.900 0.074 0.000 0.879 166 G CA 0.700 45.868 45.100 0.113 0.000 1.287 166 G HN 1.216 nan 8.290 nan 0.000 0.383 167 R N -0.675 119.862 120.500 0.061 0.000 5.594 167 R HA 0.093 4.433 4.340 -0.000 0.000 0.226 167 R C -3.491 172.828 176.300 0.031 0.000 0.906 167 R CA -0.917 55.212 56.100 0.048 0.000 1.240 167 R CB -1.018 29.305 30.300 0.038 0.000 1.335 167 R HN 0.202 nan 8.270 nan 0.000 0.663 168 P HA 0.048 nan 4.420 nan 0.000 0.266 168 P C -0.472 176.825 177.300 -0.006 0.000 1.195 168 P CA -0.373 62.739 63.100 0.021 0.000 0.768 168 P CB 0.386 32.112 31.700 0.044 0.000 0.838 169 L N 3.560 124.768 121.223 -0.025 0.000 2.395 169 L HA 0.286 4.626 4.340 -0.000 0.000 0.269 169 L C 0.243 177.089 176.870 -0.040 0.000 1.133 169 L CA 0.014 54.822 54.840 -0.054 0.000 0.812 169 L CB -0.267 41.793 42.059 0.001 0.000 1.125 169 L HN 0.320 nan 8.230 nan 0.000 0.452 170 L N 1.671 122.847 121.223 -0.080 0.000 2.334 170 L HA 0.819 5.159 4.340 -0.000 0.000 0.276 170 L C 0.289 177.152 176.870 -0.011 0.000 1.014 170 L CA -0.285 54.550 54.840 -0.008 0.000 0.815 170 L CB 1.965 44.042 42.059 0.030 0.000 1.268 170 L HN 0.730 nan 8.230 nan 0.000 0.428 171 G N 0.641 109.441 108.800 -0.001 0.000 2.695 171 G HA2 0.573 4.532 3.960 -0.000 0.000 0.290 171 G HA3 0.573 4.532 3.960 -0.000 0.000 0.290 171 G C -2.114 172.744 174.900 -0.071 0.000 1.410 171 G CA -0.463 44.617 45.100 -0.033 0.000 0.844 171 G HN 0.721 nan 8.290 nan 0.000 0.478 172 C N 0.332 119.571 119.300 -0.101 0.000 2.608 172 C HA 0.790 5.250 4.460 -0.000 0.000 0.325 172 C C 0.005 174.937 174.990 -0.095 0.000 1.147 172 C CA -0.421 58.558 59.018 -0.065 0.000 1.359 172 C CB 0.623 28.356 27.740 -0.011 0.000 1.912 172 C HN 0.828 nan 8.230 nan 0.000 0.466 173 T N 7.412 121.930 114.554 -0.060 0.000 2.729 173 T HA 0.345 4.694 4.350 -0.000 0.000 0.296 173 T C 0.561 175.251 174.700 -0.017 0.000 0.928 173 T CA -0.292 61.794 62.100 -0.023 0.000 1.045 173 T CB 0.053 68.939 68.868 0.031 0.000 0.902 173 T HN 0.594 nan 8.240 nan 0.000 0.500 174 I N 3.783 124.326 120.570 -0.045 0.000 2.872 174 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 174 I C 0.866 176.946 176.117 -0.062 0.000 1.216 174 I CA 0.364 61.578 61.300 -0.143 0.000 1.424 174 I CB -0.254 37.445 38.000 -0.502 0.000 1.351 174 I HN 0.528 nan 8.210 nan 0.000 0.592 175 K N 5.663 126.034 120.400 -0.048 0.000 2.444 175 K HA 0.565 4.884 4.320 -0.000 0.000 0.252 175 K C -2.517 174.081 176.600 -0.002 0.000 0.993 175 K CA -1.593 54.700 56.287 0.009 0.000 0.847 175 K CB 1.426 33.945 32.500 0.032 0.000 1.340 175 K HN 0.239 nan 8.250 nan 0.000 0.446 176 P HA 0.099 nan 4.420 nan 0.000 0.270 176 P C 0.478 177.810 177.300 0.053 0.000 1.223 176 P CA -0.141 62.974 63.100 0.026 0.000 0.785 176 P CB 0.788 32.488 31.700 0.000 0.000 0.923 177 K N -0.255 120.175 120.400 0.050 0.000 1.988 177 K HA -0.115 4.205 4.320 -0.000 0.000 0.221 177 K C 0.614 177.282 176.600 0.113 0.000 1.053 177 K CA 1.313 57.648 56.287 0.081 0.000 0.959 177 K CB -0.365 32.168 32.500 0.054 0.000 0.728 177 K HN 0.294 nan 8.250 nan 0.000 0.447 178 L N -1.954 119.272 121.223 0.005 0.000 2.313 178 L HA 0.342 4.681 4.340 -0.000 0.000 0.268 178 L C 1.100 177.663 176.870 -0.512 0.000 1.010 178 L CA 0.574 55.313 54.840 -0.168 0.000 0.814 178 L CB 0.866 42.837 42.059 -0.147 0.000 1.304 178 L HN 0.696 nan 8.230 nan 0.000 0.441 179 G N 0.457 108.562 108.800 -1.158 0.000 2.195 179 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.224 179 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.224 179 G C -0.160 174.630 174.900 -0.182 0.000 0.990 179 G CA -0.323 44.331 45.100 -0.742 0.000 0.639 179 G HN 0.378 nan 8.290 nan 0.000 0.514 180 L N 2.391 123.659 121.223 0.076 0.000 2.375 180 L HA 0.735 5.075 4.340 -0.000 0.000 0.271 180 L C 1.295 178.359 176.870 0.323 0.000 1.107 180 L CA -0.115 54.857 54.840 0.219 0.000 0.806 180 L CB 1.344 43.589 42.059 0.309 0.000 1.146 180 L HN 0.614 nan 8.230 nan 0.000 0.447 181 S N 2.329 118.163 115.700 0.224 0.000 2.652 181 S HA 0.538 5.008 4.470 -0.000 0.000 0.270 181 S C 1.275 175.982 174.600 0.178 0.000 1.243 181 S CA -0.146 58.169 58.200 0.191 0.000 0.999 181 S CB 1.036 64.297 63.200 0.101 0.000 0.973 181 S HN 0.834 nan 8.310 nan 0.000 0.544 182 A N 2.005 124.909 122.820 0.140 0.000 1.870 182 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 182 A C 2.157 179.786 177.584 0.075 0.000 1.224 182 A CA 2.378 54.525 52.037 0.183 0.000 0.650 182 A CB -1.390 17.805 19.000 0.325 0.000 0.836 182 A HN 0.989 nan 8.150 nan 0.000 0.454 183 K N -0.912 119.343 120.400 -0.241 0.000 2.103 183 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 183 K C 1.831 178.320 176.600 -0.186 0.000 1.048 183 K CA 1.654 57.618 56.287 -0.538 0.000 0.930 183 K CB -0.186 31.941 32.500 -0.621 0.000 0.716 183 K HN 0.497 nan 8.250 nan 0.000 0.444 184 N N -0.169 118.509 118.700 -0.037 0.000 2.142 184 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 184 N C 1.574 177.129 175.510 0.076 0.000 1.023 184 N CA 1.080 54.144 53.050 0.024 0.000 0.852 184 N CB -0.423 38.094 38.487 0.050 0.000 0.998 184 N HN 0.249 nan 8.380 nan 0.000 0.424 185 Y N 1.467 121.778 120.300 0.018 0.000 2.128 185 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 185 Y C 2.462 178.374 175.900 0.020 0.000 1.154 185 Y CA 1.916 60.045 58.100 0.049 0.000 1.149 185 Y CB -0.663 37.852 38.460 0.090 0.000 0.976 185 Y HN 0.082 nan 8.280 nan 0.000 0.505 186 G N -0.514 108.395 108.800 0.182 0.000 2.446 186 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 186 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 186 G C 1.758 176.721 174.900 0.105 0.000 1.168 186 G CA 0.958 46.136 45.100 0.131 0.000 0.771 186 G HN 0.330 nan 8.290 nan 0.000 0.551 187 R N 0.571 121.111 120.500 0.067 0.000 2.097 187 R HA -0.098 4.241 4.340 -0.000 0.000 0.236 187 R C 2.929 179.289 176.300 0.101 0.000 1.135 187 R CA 1.807 57.967 56.100 0.100 0.000 0.934 187 R CB -0.599 29.728 30.300 0.044 0.000 0.846 187 R HN 0.276 nan 8.270 nan 0.000 0.431 188 A N 0.341 123.175 122.820 0.023 0.000 1.917 188 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 188 A C 2.353 179.926 177.584 -0.019 0.000 1.182 188 A CA 1.980 54.000 52.037 -0.027 0.000 0.633 188 A CB -0.815 18.120 19.000 -0.108 0.000 0.819 188 A HN 0.285 nan 8.150 nan 0.000 0.448 189 V N -1.248 118.668 119.914 0.003 0.000 2.233 189 V HA -0.317 3.802 4.120 -0.000 0.000 0.247 189 V C 2.379 178.520 176.094 0.078 0.000 1.050 189 V CA 2.378 64.704 62.300 0.044 0.000 1.010 189 V CB -1.053 30.782 31.823 0.019 0.000 0.637 189 V HN 0.760 nan 8.190 nan 0.000 0.444 190 Y N 1.214 121.517 120.300 0.006 0.000 2.114 190 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 190 Y C 2.564 178.471 175.900 0.012 0.000 1.165 190 Y CA 2.078 60.187 58.100 0.015 0.000 1.148 190 Y CB -0.397 38.077 38.460 0.023 0.000 0.972 190 Y HN 0.274 nan 8.280 nan 0.000 0.504 191 E N -0.218 119.832 120.200 -0.250 0.000 2.051 191 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 191 E C 2.475 178.917 176.600 -0.262 0.000 0.991 191 E CA 1.584 57.763 56.400 -0.369 0.000 0.799 191 E CB -0.957 28.661 29.700 -0.138 0.000 0.748 191 E HN 0.588 nan 8.360 nan 0.000 0.449 192 C N 0.712 119.930 119.300 -0.137 0.000 2.432 192 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 192 C C 2.705 177.627 174.990 -0.114 0.000 1.249 192 C CA 0.124 59.082 59.018 -0.101 0.000 1.725 192 C CB -1.064 26.646 27.740 -0.050 0.000 2.028 192 C HN 0.297 nan 8.230 nan 0.000 0.477 193 L N 1.958 123.123 121.223 -0.097 0.000 2.017 193 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 193 L C 2.814 179.619 176.870 -0.108 0.000 1.073 193 L CA 1.917 56.714 54.840 -0.072 0.000 0.745 193 L CB -1.177 40.885 42.059 0.006 0.000 0.894 193 L HN 0.446 nan 8.230 nan 0.000 0.432 194 R N -0.801 119.577 120.500 -0.203 0.000 2.200 194 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 194 R C 2.088 178.311 176.300 -0.128 0.000 1.127 194 R CA 1.312 57.309 56.100 -0.173 0.000 0.989 194 R CB -1.292 28.825 30.300 -0.305 0.000 0.869 194 R HN 0.348 nan 8.270 nan 0.000 0.459 195 G N 0.257 108.969 108.800 -0.148 0.000 2.422 195 G HA2 0.043 4.003 3.960 -0.000 0.000 0.218 195 G HA3 0.043 4.003 3.960 -0.000 0.000 0.218 195 G C 1.052 175.896 174.900 -0.093 0.000 1.140 195 G CA 0.777 45.807 45.100 -0.118 0.000 0.775 195 G HN 0.644 nan 8.290 nan 0.000 0.545 196 G N -1.695 107.052 108.800 -0.087 0.000 2.174 196 G HA2 -0.051 3.908 3.960 -0.000 0.000 0.140 196 G HA3 -0.051 3.908 3.960 -0.000 0.000 0.140 196 G C -0.168 174.681 174.900 -0.084 0.000 1.031 196 G CA -0.325 44.730 45.100 -0.075 0.000 0.728 196 G HN 0.288 nan 8.290 nan 0.000 0.496 197 L N 1.177 122.348 121.223 -0.087 0.000 2.399 197 L HA 0.567 4.907 4.340 -0.000 0.000 0.266 197 L C 1.149 177.926 176.870 -0.154 0.000 1.114 197 L CA -0.203 54.584 54.840 -0.089 0.000 0.804 197 L CB 1.032 43.057 42.059 -0.056 0.000 1.146 197 L HN 0.062 nan 8.230 nan 0.000 0.451 198 D N 1.002 121.243 120.400 -0.265 0.000 2.240 198 D HA 0.049 4.688 4.640 -0.000 0.000 0.206 198 D C -0.421 175.477 176.300 -0.670 0.000 0.963 198 D CA 1.271 54.937 54.000 -0.556 0.000 0.863 198 D CB 0.411 40.737 40.800 -0.791 0.000 0.973 198 D HN 0.176 nan 8.370 nan 0.000 0.501 199 F N -0.573 119.325 119.950 -0.085 0.000 2.631 199 F HA 0.295 4.822 4.527 0.000 0.000 0.308 199 F C 0.257 175.898 175.800 -0.265 0.000 1.097 199 F CA -1.212 56.686 58.000 -0.170 0.000 0.952 199 F CB 1.498 40.331 39.000 -0.278 0.000 1.307 199 F HN -0.394 nan 8.300 nan 0.000 0.450 200 T N -0.894 113.629 114.554 -0.052 0.000 2.926 200 T HA 0.892 5.241 4.350 -0.000 0.000 0.289 200 T C -0.980 173.397 174.700 -0.538 0.000 1.054 200 T CA -0.981 61.045 62.100 -0.123 0.000 1.015 200 T CB 2.872 71.836 68.868 0.159 0.000 1.167 200 T HN 0.849 nan 8.240 nan 0.000 0.526 201 K N -0.355 119.747 120.400 -0.497 0.000 2.578 201 K HA 0.561 4.881 4.320 -0.000 0.000 0.287 201 K C -1.989 174.588 176.600 -0.038 0.000 1.010 201 K CA -0.891 55.036 56.287 -0.599 0.000 0.889 201 K CB 1.263 33.477 32.500 -0.475 0.000 1.514 201 K HN 0.382 nan 8.250 nan 0.000 0.424 202 D N 1.165 121.616 120.400 0.085 0.000 2.341 202 D HA 0.145 4.784 4.640 -0.000 0.000 0.245 202 D C -0.701 175.719 176.300 0.201 0.000 1.106 202 D CA 0.193 54.383 54.000 0.317 0.000 0.905 202 D CB 0.855 41.804 40.800 0.247 0.000 1.202 202 D HN 0.382 nan 8.370 nan 0.000 0.426 203 D N 0.912 121.449 120.400 0.228 0.000 2.341 203 D HA -0.060 4.580 4.640 -0.000 0.000 0.245 203 D C 1.370 177.673 176.300 0.006 0.000 1.106 203 D CA -0.192 53.872 54.000 0.106 0.000 0.905 203 D CB 0.919 41.792 40.800 0.122 0.000 1.202 203 D HN 0.420 nan 8.370 nan 0.000 0.426 204 E N 2.453 122.532 120.200 -0.203 0.000 2.333 204 E HA -0.255 4.094 4.350 -0.000 0.000 0.200 204 E C 0.372 176.868 176.600 -0.175 0.000 1.010 204 E CA 1.176 57.341 56.400 -0.392 0.000 0.841 204 E CB -0.276 28.710 29.700 -1.190 0.000 0.757 204 E HN 0.449 nan 8.360 nan 0.000 0.508 205 N N 0.387 119.050 118.700 -0.062 0.000 2.204 205 N HA 0.062 4.801 4.740 -0.000 0.000 0.219 205 N C -0.405 175.151 175.510 0.078 0.000 1.151 205 N CA -0.318 52.734 53.050 0.004 0.000 0.867 205 N CB 0.524 39.024 38.487 0.022 0.000 1.043 205 N HN -0.076 nan 8.380 nan 0.000 0.516 206 V N 1.750 121.720 119.914 0.094 0.000 2.353 206 V HA 0.273 4.393 4.120 -0.000 0.000 0.264 206 V C 0.072 176.217 176.094 0.085 0.000 1.049 206 V CA -0.296 62.084 62.300 0.133 0.000 0.896 206 V CB -0.034 31.889 31.823 0.166 0.000 1.025 206 V HN 0.315 nan 8.190 nan 0.000 0.475 207 N N 2.820 121.551 118.700 0.052 0.000 3.039 207 N HA 0.282 5.022 4.740 -0.000 0.000 0.188 207 N C -0.252 175.289 175.510 0.052 0.000 1.310 207 N CA -0.391 52.687 53.050 0.046 0.000 1.111 207 N CB 0.521 39.011 38.487 0.005 0.000 1.311 207 N HN 0.485 nan 8.380 nan 0.000 0.490 208 S N 0.231 115.930 115.700 -0.002 0.000 2.680 208 S HA 0.383 4.853 4.470 -0.000 0.000 0.262 208 S C -1.907 172.617 174.600 -0.127 0.000 1.138 208 S CA -0.429 57.769 58.200 -0.003 0.000 1.072 208 S CB 0.789 64.107 63.200 0.196 0.000 1.097 208 S HN 0.261 nan 8.310 nan 0.000 0.468 209 Q N 3.502 123.102 119.800 -0.335 0.000 2.528 209 Q HA 0.522 4.861 4.340 -0.000 0.000 0.289 209 Q C -2.038 173.707 176.000 -0.426 0.000 1.091 209 Q CA -1.950 53.602 55.803 -0.419 0.000 0.797 209 Q CB 1.348 29.684 28.738 -0.670 0.000 1.466 209 Q HN 0.255 nan 8.270 nan 0.000 0.436 210 P HA -0.200 nan 4.420 nan 0.000 0.216 210 P C 0.705 177.983 177.300 -0.037 0.000 1.150 210 P CA 1.456 64.514 63.100 -0.070 0.000 0.843 210 P CB -0.015 31.708 31.700 0.039 0.000 0.787 211 F N -2.182 117.785 119.950 0.027 0.000 2.186 211 F HA 0.144 4.671 4.527 -0.001 0.000 0.299 211 F C 1.203 177.023 175.800 0.034 0.000 1.090 211 F CA 0.516 58.536 58.000 0.033 0.000 1.307 211 F CB -0.792 38.234 39.000 0.043 0.000 1.019 211 F HN -0.175 nan 8.300 nan 0.000 0.489 212 M N 0.861 120.244 119.600 -0.362 0.000 2.255 212 M HA 0.378 4.857 4.480 -0.000 0.000 0.275 212 M C -1.409 174.727 176.300 -0.273 0.000 1.050 212 M CA -0.450 54.738 55.300 -0.188 0.000 0.978 212 M CB 1.725 34.316 32.600 -0.015 0.000 1.761 212 M HN -0.058 nan 8.290 nan 0.000 0.479 213 R N 4.072 124.471 120.500 -0.168 0.000 2.349 213 R HA 0.247 4.586 4.340 -0.000 0.000 0.299 213 R C 1.099 177.279 176.300 -0.200 0.000 1.027 213 R CA -0.345 55.641 56.100 -0.192 0.000 0.958 213 R CB 1.020 31.192 30.300 -0.213 0.000 1.047 213 R HN 0.921 nan 8.270 nan 0.000 0.468 214 W N 4.652 125.844 121.300 -0.180 0.000 2.305 214 W HA -0.282 4.378 4.660 -0.001 0.000 0.308 214 W C 0.997 177.338 176.519 -0.298 0.000 1.226 214 W CA 1.097 58.312 57.345 -0.217 0.000 1.253 214 W CB -0.456 28.808 29.460 -0.327 0.000 1.146 214 W HN 0.589 nan 8.180 nan 0.000 0.507 215 R N 0.791 120.320 120.500 -1.618 0.000 2.115 215 R HA -0.135 4.205 4.340 -0.000 0.000 0.230 215 R C 1.910 177.908 176.300 -0.504 0.000 1.111 215 R CA 1.949 57.173 56.100 -1.460 0.000 0.976 215 R CB -0.291 29.005 30.300 -1.673 0.000 0.870 215 R HN 0.064 nan 8.270 nan 0.000 0.445 216 D N -0.278 119.915 120.400 -0.345 0.000 2.091 216 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 216 D C 1.841 178.196 176.300 0.091 0.000 0.980 216 D CA 0.854 54.789 54.000 -0.107 0.000 0.831 216 D CB -0.239 40.544 40.800 -0.028 0.000 0.987 216 D HN 0.153 nan 8.370 nan 0.000 0.460 217 R N -0.008 120.566 120.500 0.124 0.000 2.096 217 R HA -0.166 4.173 4.340 -0.000 0.000 0.240 217 R C 2.265 178.751 176.300 0.311 0.000 1.139 217 R CA 1.104 57.330 56.100 0.210 0.000 0.952 217 R CB -0.370 29.976 30.300 0.077 0.000 0.854 217 R HN 0.091 nan 8.270 nan 0.000 0.436 218 F N 0.933 120.940 119.950 0.095 0.000 2.126 218 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 218 F C 2.316 178.142 175.800 0.042 0.000 1.096 218 F CA 0.941 59.022 58.000 0.134 0.000 1.255 218 F CB -0.873 38.316 39.000 0.314 0.000 0.997 218 F HN 0.080 nan 8.300 nan 0.000 0.479 219 L N -1.431 119.922 121.223 0.217 0.000 2.056 219 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 219 L C 2.225 179.038 176.870 -0.094 0.000 1.078 219 L CA 1.491 56.331 54.840 0.001 0.000 0.749 219 L CB -0.436 41.556 42.059 -0.112 0.000 0.901 219 L HN -0.034 nan 8.230 nan 0.000 0.433 220 F N -1.018 118.981 119.950 0.082 0.000 2.187 220 F HA -0.118 4.409 4.527 -0.001 0.000 0.295 220 F C 2.580 178.387 175.800 0.013 0.000 1.091 220 F CA 0.999 59.028 58.000 0.049 0.000 1.308 220 F CB -1.212 37.820 39.000 0.053 0.000 1.030 220 F HN 0.117 nan 8.300 nan 0.000 0.487 221 C N 0.339 119.728 119.300 0.147 0.000 2.422 221 C HA -0.037 4.423 4.460 -0.000 0.000 0.286 221 C C 3.005 177.957 174.990 -0.064 0.000 1.412 221 C CA 0.692 59.691 59.018 -0.033 0.000 1.786 221 C CB -1.850 25.708 27.740 -0.302 0.000 1.835 221 C HN 0.496 nan 8.230 nan 0.000 0.533 222 A N 0.447 123.237 122.820 -0.050 0.000 1.897 222 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 222 A C 2.180 179.717 177.584 -0.079 0.000 1.181 222 A CA 1.438 53.375 52.037 -0.168 0.000 0.620 222 A CB -0.567 18.370 19.000 -0.105 0.000 0.821 222 A HN 0.634 nan 8.150 nan 0.000 0.443 223 E N -0.043 120.196 120.200 0.065 0.000 2.049 223 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 223 E C 2.222 178.876 176.600 0.090 0.000 1.007 223 E CA 1.273 57.751 56.400 0.129 0.000 0.809 223 E CB -0.242 29.551 29.700 0.155 0.000 0.749 223 E HN 0.542 nan 8.360 nan 0.000 0.450 224 A N 1.076 123.939 122.820 0.071 0.000 1.858 224 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 224 A C 2.214 179.865 177.584 0.113 0.000 1.190 224 A CA 1.846 53.933 52.037 0.083 0.000 0.617 224 A CB -0.872 18.211 19.000 0.139 0.000 0.827 224 A HN 0.387 nan 8.150 nan 0.000 0.443 225 L N -2.854 118.379 121.223 0.017 0.000 2.131 225 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 225 L C 2.168 179.058 176.870 0.034 0.000 1.092 225 L CA 1.797 56.639 54.840 0.005 0.000 0.759 225 L CB -1.410 40.601 42.059 -0.079 0.000 0.903 225 L HN 0.292 nan 8.230 nan 0.000 0.435 226 Y N 0.574 120.919 120.300 0.075 0.000 2.242 226 Y HA -0.110 4.440 4.550 -0.001 0.000 0.291 226 Y C 2.756 178.687 175.900 0.052 0.000 1.137 226 Y CA 1.315 59.446 58.100 0.052 0.000 1.181 226 Y CB -0.657 37.820 38.460 0.028 0.000 0.989 226 Y HN 0.295 nan 8.280 nan 0.000 0.527 227 K N 0.047 120.552 120.400 0.176 0.000 1.985 227 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 227 K C 2.309 179.037 176.600 0.214 0.000 1.047 227 K CA 1.218 57.553 56.287 0.080 0.000 0.932 227 K CB -0.326 32.060 32.500 -0.190 0.000 0.716 227 K HN 0.233 nan 8.250 nan 0.000 0.439 228 A N 1.171 124.201 122.820 0.350 0.000 2.024 228 A HA -0.227 4.092 4.320 -0.000 0.000 0.220 228 A C 1.995 179.684 177.584 0.175 0.000 1.164 228 A CA 1.629 53.861 52.037 0.324 0.000 0.643 228 A CB -0.458 18.690 19.000 0.247 0.000 0.806 228 A HN 0.544 nan 8.150 nan 0.000 0.451 229 Q N -0.923 118.975 119.800 0.163 0.000 2.212 229 Q HA 0.058 4.398 4.340 -0.000 0.000 0.199 229 Q C 2.154 178.220 176.000 0.111 0.000 0.950 229 Q CA 0.950 56.828 55.803 0.124 0.000 0.863 229 Q CB -0.220 28.605 28.738 0.145 0.000 0.944 229 Q HN 0.576 nan 8.270 nan 0.000 0.465 230 A N 1.097 123.992 122.820 0.124 0.000 1.902 230 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 230 A C 1.875 179.507 177.584 0.081 0.000 1.181 230 A CA 1.618 53.709 52.037 0.089 0.000 0.623 230 A CB -0.597 18.451 19.000 0.079 0.000 0.818 230 A HN 0.577 nan 8.150 nan 0.000 0.443 231 E N -0.558 119.705 120.200 0.105 0.000 2.012 231 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 231 E C 2.225 178.869 176.600 0.073 0.000 1.007 231 E CA 2.286 58.748 56.400 0.103 0.000 0.816 231 E CB -0.193 29.603 29.700 0.161 0.000 0.762 231 E HN 0.719 nan 8.360 nan 0.000 0.451 232 T N -3.137 111.458 114.554 0.068 0.000 2.942 232 T HA 0.084 4.434 4.350 -0.000 0.000 0.265 232 T C 1.501 176.223 174.700 0.036 0.000 1.062 232 T CA 1.012 63.136 62.100 0.040 0.000 1.139 232 T CB -0.004 68.876 68.868 0.021 0.000 0.883 232 T HN 0.447 nan 8.240 nan 0.000 0.468 233 G N 1.102 109.928 108.800 0.044 0.000 2.137 233 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.237 233 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.237 233 G C -0.381 174.536 174.900 0.027 0.000 1.002 233 G CA 0.092 45.214 45.100 0.036 0.000 0.702 233 G HN 0.723 nan 8.290 nan 0.000 0.515 234 E N -0.495 119.718 120.200 0.023 0.000 2.275 234 E HA 0.507 4.857 4.350 -0.000 0.000 0.270 234 E C 0.404 177.006 176.600 0.003 0.000 0.882 234 E CA -1.148 55.253 56.400 0.002 0.000 0.758 234 E CB 1.832 31.518 29.700 -0.023 0.000 1.195 234 E HN 0.300 nan 8.360 nan 0.000 0.419 235 I N 3.276 123.846 120.570 0.001 0.000 2.826 235 I HA -0.089 4.081 4.170 -0.000 0.000 0.295 235 I C 0.482 176.588 176.117 -0.017 0.000 1.213 235 I CA 0.664 61.974 61.300 0.018 0.000 1.436 235 I CB -0.074 37.940 38.000 0.023 0.000 1.348 235 I HN 0.246 nan 8.210 nan 0.000 0.570 236 K N 4.321 124.738 120.400 0.029 0.000 2.346 236 K HA 0.849 5.169 4.320 -0.000 0.000 0.238 236 K C -0.196 176.474 176.600 0.116 0.000 1.039 236 K CA -0.819 55.478 56.287 0.017 0.000 0.861 236 K CB 2.063 34.588 32.500 0.043 0.000 1.278 236 K HN 0.780 nan 8.250 nan 0.000 0.460 237 G N -0.063 108.878 108.800 0.234 0.000 2.703 237 G HA2 0.316 4.276 3.960 -0.000 0.000 0.294 237 G HA3 0.316 4.276 3.960 -0.000 0.000 0.294 237 G C -2.038 173.076 174.900 0.356 0.000 1.451 237 G CA -0.364 44.944 45.100 0.346 0.000 0.869 237 G HN 0.546 nan 8.290 nan 0.000 0.516 238 H N 1.443 120.584 119.070 0.118 0.000 2.800 238 H HA 0.341 4.896 4.556 -0.001 0.000 0.322 238 H C -0.877 174.496 175.328 0.074 0.000 0.979 238 H CA -0.590 55.489 56.048 0.052 0.000 1.277 238 H CB 0.984 30.757 29.762 0.018 0.000 1.484 238 H HN 0.347 nan 8.280 nan 0.000 0.512 239 Y N 5.461 125.440 120.300 -0.535 0.000 2.770 239 Y HA -0.011 4.539 4.550 -0.000 0.000 0.342 239 Y C 0.640 176.349 175.900 -0.318 0.000 1.221 239 Y CA -0.152 57.706 58.100 -0.403 0.000 1.560 239 Y CB -0.379 37.848 38.460 -0.388 0.000 1.213 239 Y HN 0.422 nan 8.280 nan 0.000 0.525 240 L N 4.506 125.692 121.223 -0.062 0.000 2.261 240 L HA 0.240 4.579 4.340 -0.000 0.000 0.289 240 L C 0.696 177.532 176.870 -0.057 0.000 1.059 240 L CA -0.212 54.502 54.840 -0.209 0.000 0.816 240 L CB 0.487 42.085 42.059 -0.768 0.000 1.191 240 L HN 0.603 nan 8.230 nan 0.000 0.431 241 N N 2.293 121.055 118.700 0.104 0.000 2.427 241 N HA 0.093 4.833 4.740 -0.000 0.000 0.269 241 N C 0.656 176.304 175.510 0.230 0.000 1.235 241 N CA -0.101 53.044 53.050 0.158 0.000 0.934 241 N CB 0.902 39.473 38.487 0.141 0.000 1.121 241 N HN 0.775 nan 8.380 nan 0.000 0.480 242 A N 2.900 125.819 122.820 0.166 0.000 2.308 242 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 242 A C 0.624 178.240 177.584 0.054 0.000 1.216 242 A CA -0.133 51.959 52.037 0.092 0.000 0.864 242 A CB 0.133 19.158 19.000 0.042 0.000 0.902 242 A HN 0.571 nan 8.150 nan 0.000 0.499 243 T N 1.778 116.399 114.554 0.112 0.000 2.908 243 T HA 0.448 4.797 4.350 -0.000 0.000 0.301 243 T C 0.341 175.035 174.700 -0.010 0.000 1.019 243 T CA 0.849 63.005 62.100 0.095 0.000 1.152 243 T CB 0.788 69.632 68.868 -0.039 0.000 0.966 243 T HN 0.649 nan 8.240 nan 0.000 0.540 244 A N 2.441 125.247 122.820 -0.023 0.000 2.525 244 A HA 0.855 5.175 4.320 -0.000 0.000 0.291 244 A C 1.297 178.847 177.584 -0.057 0.000 1.268 244 A CA -0.270 51.717 52.037 -0.084 0.000 0.712 244 A CB 0.634 19.533 19.000 -0.168 0.000 1.320 244 A HN 0.766 nan 8.150 nan 0.000 0.456 245 G N -1.106 107.653 108.800 -0.069 0.000 2.662 245 G HA2 0.396 4.356 3.960 -0.000 0.000 0.212 245 G HA3 0.396 4.356 3.960 -0.000 0.000 0.212 245 G C 0.557 175.428 174.900 -0.049 0.000 1.141 245 G CA 1.432 46.501 45.100 -0.052 0.000 0.797 245 G HN 1.507 nan 8.290 nan 0.000 0.531 246 T N -3.586 110.930 114.554 -0.063 0.000 2.903 246 T HA 0.310 4.659 4.350 -0.000 0.000 0.299 246 T C 1.012 175.665 174.700 -0.078 0.000 1.093 246 T CA -0.258 61.805 62.100 -0.061 0.000 1.002 246 T CB 1.372 70.204 68.868 -0.060 0.000 1.127 246 T HN -0.054 nan 8.240 nan 0.000 0.488 247 C N 1.167 120.425 119.300 -0.070 0.000 2.432 247 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 247 C C 2.600 177.523 174.990 -0.111 0.000 1.249 247 C CA 0.899 59.864 59.018 -0.088 0.000 1.725 247 C CB -1.386 26.312 27.740 -0.070 0.000 2.028 247 C HN 1.027 nan 8.230 nan 0.000 0.477 248 E N 1.102 121.246 120.200 -0.094 0.000 2.114 248 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 248 E C 2.162 178.678 176.600 -0.140 0.000 1.008 248 E CA 1.295 57.635 56.400 -0.100 0.000 0.810 248 E CB -0.336 29.320 29.700 -0.073 0.000 0.739 248 E HN 0.555 nan 8.360 nan 0.000 0.456 249 E N -0.002 120.109 120.200 -0.149 0.000 2.047 249 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 249 E C 2.032 178.452 176.600 -0.299 0.000 0.987 249 E CA 0.846 57.116 56.400 -0.216 0.000 0.799 249 E CB -0.313 29.267 29.700 -0.199 0.000 0.752 249 E HN 0.334 nan 8.360 nan 0.000 0.449 250 M N 0.326 119.785 119.600 -0.235 0.000 2.082 250 M HA -0.209 4.270 4.480 -0.000 0.000 0.258 250 M C 1.906 178.033 176.300 -0.288 0.000 1.069 250 M CA 1.591 56.749 55.300 -0.238 0.000 1.102 250 M CB -0.054 32.440 32.600 -0.176 0.000 1.336 250 M HN 0.017 nan 8.290 nan 0.000 0.404 251 I N 0.469 120.871 120.570 -0.280 0.000 2.252 251 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 251 I C 2.377 178.275 176.117 -0.365 0.000 1.102 251 I CA 1.393 62.471 61.300 -0.371 0.000 1.385 251 I CB -1.365 36.460 38.000 -0.292 0.000 1.064 251 I HN 0.483 nan 8.210 nan 0.000 0.414 252 K N 1.130 121.360 120.400 -0.283 0.000 2.113 252 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 252 K C 2.233 178.678 176.600 -0.259 0.000 1.047 252 K CA 1.536 57.686 56.287 -0.228 0.000 0.928 252 K CB 0.070 32.444 32.500 -0.211 0.000 0.716 252 K HN 0.267 nan 8.250 nan 0.000 0.446 253 R N -0.478 119.733 120.500 -0.481 0.000 2.062 253 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 253 R C 2.429 178.746 176.300 0.028 0.000 1.125 253 R CA 0.994 56.736 56.100 -0.597 0.000 0.966 253 R CB -0.271 29.468 30.300 -0.935 0.000 0.861 253 R HN 0.188 nan 8.270 nan 0.000 0.433 254 A N 0.865 123.617 122.820 -0.113 0.000 1.908 254 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 254 A C 2.314 179.909 177.584 0.018 0.000 1.181 254 A CA 1.517 53.513 52.037 -0.068 0.000 0.627 254 A CB -0.657 18.178 19.000 -0.276 0.000 0.818 254 A HN 0.117 nan 8.150 nan 0.000 0.445 255 V N -1.152 118.693 119.914 -0.114 0.000 2.392 255 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 255 V C 2.275 178.560 176.094 0.317 0.000 1.059 255 V CA 2.144 64.519 62.300 0.126 0.000 1.051 255 V CB -0.975 30.873 31.823 0.042 0.000 0.658 255 V HN 0.600 nan 8.190 nan 0.000 0.455 256 F N 1.355 121.426 119.950 0.201 0.000 2.146 256 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 256 F C 2.302 178.299 175.800 0.327 0.000 1.096 256 F CA 0.848 59.025 58.000 0.295 0.000 1.275 256 F CB -0.913 38.355 39.000 0.448 0.000 1.008 256 F HN 0.089 nan 8.300 nan 0.000 0.480 257 A N 0.986 124.014 122.820 0.345 0.000 1.859 257 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 257 A C 2.502 180.129 177.584 0.072 0.000 1.198 257 A CA 1.892 54.005 52.037 0.127 0.000 0.629 257 A CB -0.998 18.084 19.000 0.138 0.000 0.830 257 A HN 0.319 nan 8.150 nan 0.000 0.446 258 R N 0.058 120.659 120.500 0.169 0.000 2.119 258 R HA -0.231 4.109 4.340 -0.000 0.000 0.246 258 R C 2.149 178.510 176.300 0.103 0.000 1.146 258 R CA 2.249 58.441 56.100 0.152 0.000 0.962 258 R CB -0.590 29.853 30.300 0.239 0.000 0.863 258 R HN 0.817 nan 8.270 nan 0.000 0.442 259 E N 0.121 120.389 120.200 0.113 0.000 2.110 259 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 259 E C 2.024 178.623 176.600 -0.001 0.000 0.988 259 E CA 1.050 57.507 56.400 0.094 0.000 0.804 259 E CB -0.085 29.753 29.700 0.230 0.000 0.745 259 E HN 0.378 nan 8.360 nan 0.000 0.458 260 L N -0.752 120.392 121.223 -0.132 0.000 2.478 260 L HA 0.092 4.432 4.340 -0.000 0.000 0.223 260 L C 1.759 178.682 176.870 0.088 0.000 1.140 260 L CA 0.600 55.388 54.840 -0.086 0.000 0.842 260 L CB -0.050 41.851 42.059 -0.263 0.000 0.953 260 L HN 0.513 nan 8.230 nan 0.000 0.452 261 G N 0.113 108.964 108.800 0.085 0.000 2.176 261 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 261 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 261 G C 0.519 175.517 174.900 0.163 0.000 0.979 261 G CA 0.237 45.419 45.100 0.136 0.000 0.641 261 G HN 0.264 nan 8.290 nan 0.000 0.530 262 V N -1.051 118.920 119.914 0.095 0.000 3.032 262 V HA 0.515 4.635 4.120 -0.000 0.000 0.307 262 V C 0.004 176.116 176.094 0.029 0.000 1.097 262 V CA -0.168 62.138 62.300 0.010 0.000 1.191 262 V CB 0.966 32.733 31.823 -0.094 0.000 0.964 262 V HN 0.155 nan 8.190 nan 0.000 0.494 263 P HA 0.335 nan 4.420 nan 0.000 0.245 263 P C 0.096 177.389 177.300 -0.012 0.000 1.199 263 P CA 0.482 63.598 63.100 0.027 0.000 0.807 263 P CB 0.575 32.317 31.700 0.070 0.000 1.002 264 I N -0.202 120.349 120.570 -0.032 0.000 2.841 264 I HA 0.401 4.571 4.170 -0.000 0.000 0.298 264 I C -1.372 174.678 176.117 -0.112 0.000 1.304 264 I CA -1.353 59.876 61.300 -0.118 0.000 1.019 264 I CB 2.582 40.449 38.000 -0.222 0.000 1.282 264 I HN -0.274 nan 8.210 nan 0.000 0.432 265 V N 4.109 123.944 119.914 -0.132 0.000 3.155 265 V HA 0.740 4.860 4.120 -0.000 0.000 0.313 265 V C -0.856 175.161 176.094 -0.129 0.000 1.162 265 V CA -0.704 61.541 62.300 -0.092 0.000 1.048 265 V CB 1.980 33.791 31.823 -0.020 0.000 1.092 265 V HN 0.937 nan 8.190 nan 0.000 0.447 266 M N 1.245 120.823 119.600 -0.036 0.000 2.575 266 M HA 0.613 5.093 4.480 -0.000 0.000 0.284 266 M C -2.056 174.304 176.300 0.100 0.000 1.253 266 M CA -0.478 54.823 55.300 0.002 0.000 0.861 266 M CB 2.296 34.932 32.600 0.060 0.000 1.733 266 M HN 1.186 nan 8.290 nan 0.000 0.462 267 H N 1.742 120.792 119.070 -0.035 0.000 3.087 267 H HA 0.256 4.811 4.556 -0.000 0.000 0.348 267 H C -1.805 173.527 175.328 0.006 0.000 1.092 267 H CA -0.531 55.503 56.048 -0.023 0.000 1.285 267 H CB 1.736 31.472 29.762 -0.043 0.000 1.875 267 H HN 0.745 nan 8.280 nan 0.000 0.512 268 D N 6.280 126.357 120.400 -0.540 0.000 2.435 268 D HA -0.035 4.604 4.640 -0.000 0.000 0.230 268 D C 1.232 177.232 176.300 -0.500 0.000 1.215 268 D CA -0.128 53.670 54.000 -0.337 0.000 0.947 268 D CB 0.134 40.796 40.800 -0.230 0.000 1.048 268 D HN 0.576 nan 8.370 nan 0.000 0.512 269 Y N 1.154 121.217 120.300 -0.394 0.000 2.256 269 Y HA -0.159 4.391 4.550 -0.000 0.000 0.288 269 Y C 1.412 177.094 175.900 -0.363 0.000 1.155 269 Y CA 1.060 58.986 58.100 -0.291 0.000 1.203 269 Y CB -0.409 37.970 38.460 -0.135 0.000 0.980 269 Y HN 0.249 nan 8.280 nan 0.000 0.530 270 L N 0.341 121.051 121.223 -0.854 0.000 2.249 270 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 270 L C 2.570 179.174 176.870 -0.443 0.000 1.090 270 L CA 1.392 55.753 54.840 -0.798 0.000 0.802 270 L CB -0.625 40.967 42.059 -0.779 0.000 0.947 270 L HN 0.465 nan 8.230 nan 0.000 0.453 271 T N -3.942 110.419 114.554 -0.321 0.000 3.043 271 T HA 0.024 4.373 4.350 -0.000 0.000 0.263 271 T C 1.798 176.386 174.700 -0.187 0.000 1.094 271 T CA 0.731 62.704 62.100 -0.212 0.000 1.127 271 T CB -0.122 68.651 68.868 -0.158 0.000 0.905 271 T HN 0.292 nan 8.240 nan 0.000 0.490 272 G N 1.315 109.973 108.800 -0.238 0.000 2.404 272 G HA2 0.456 4.416 3.960 -0.000 0.000 0.213 272 G HA3 0.456 4.416 3.960 -0.000 0.000 0.213 272 G C 0.876 175.743 174.900 -0.056 0.000 1.189 272 G CA 0.230 45.264 45.100 -0.109 0.000 0.796 272 G HN 1.248 nan 8.290 nan 0.000 0.532 273 G N -1.908 106.812 108.800 -0.133 0.000 2.570 273 G HA2 0.009 3.968 3.960 -0.000 0.000 0.686 273 G HA3 0.009 3.968 3.960 -0.000 0.000 0.686 273 G C 0.138 174.995 174.900 -0.072 0.000 1.257 273 G CA -0.141 44.845 45.100 -0.189 0.000 0.846 273 G HN 0.101 nan 8.290 nan 0.000 0.627 274 F N 0.666 120.617 119.950 0.002 0.000 2.134 274 F HA -0.015 4.511 4.527 -0.001 0.000 0.299 274 F C 3.162 178.946 175.800 -0.027 0.000 1.097 274 F CA 2.361 60.353 58.000 -0.012 0.000 1.264 274 F CB -0.970 37.977 39.000 -0.089 0.000 1.001 274 F HN 0.557 nan 8.300 nan 0.000 0.479 275 T N 0.000 114.645 114.554 0.150 0.000 2.684 275 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 275 T C 2.294 177.000 174.700 0.010 0.000 1.036 275 T CA 1.579 63.714 62.100 0.057 0.000 1.148 275 T CB -0.775 68.116 68.868 0.039 0.000 0.863 275 T HN 0.286 nan 8.240 nan 0.000 0.436 276 A N 1.542 124.368 122.820 0.011 0.000 1.930 276 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 276 A C 2.178 179.689 177.584 -0.121 0.000 1.175 276 A CA 1.867 53.877 52.037 -0.045 0.000 0.627 276 A CB -0.840 18.161 19.000 0.002 0.000 0.815 276 A HN 0.497 nan 8.150 nan 0.000 0.443 277 N N -0.223 118.471 118.700 -0.011 0.000 2.058 277 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 277 N C 1.689 177.119 175.510 -0.134 0.000 1.037 277 N CA 2.411 55.430 53.050 -0.053 0.000 0.848 277 N CB -0.507 38.092 38.487 0.187 0.000 1.021 277 N HN 0.368 nan 8.380 nan 0.000 0.422 278 T N -0.777 113.716 114.554 -0.103 0.000 2.721 278 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 278 T C 2.007 176.458 174.700 -0.416 0.000 1.038 278 T CA 1.645 63.590 62.100 -0.258 0.000 1.145 278 T CB -0.518 68.222 68.868 -0.213 0.000 0.858 278 T HN 0.193 nan 8.240 nan 0.000 0.459 279 S N 0.886 116.437 115.700 -0.249 0.000 2.355 279 S HA 0.024 4.494 4.470 -0.000 0.000 0.222 279 S C 1.921 176.450 174.600 -0.117 0.000 1.031 279 S CA 0.693 58.795 58.200 -0.164 0.000 0.993 279 S CB -0.401 62.742 63.200 -0.096 0.000 0.859 279 S HN 0.327 nan 8.310 nan 0.000 0.453 280 L N 1.695 122.814 121.223 -0.174 0.000 2.093 280 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 280 L C 2.259 179.098 176.870 -0.052 0.000 1.085 280 L CA 1.603 56.364 54.840 -0.130 0.000 0.755 280 L CB -0.779 41.084 42.059 -0.326 0.000 0.904 280 L HN 0.238 nan 8.230 nan 0.000 0.435 281 A N -1.265 121.478 122.820 -0.129 0.000 1.902 281 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 281 A C 2.126 179.721 177.584 0.019 0.000 1.181 281 A CA 1.856 53.840 52.037 -0.089 0.000 0.623 281 A CB -1.064 17.857 19.000 -0.131 0.000 0.818 281 A HN 0.703 nan 8.150 nan 0.000 0.443 282 H N -3.240 115.803 119.070 -0.046 0.000 2.321 282 H HA -0.186 4.370 4.556 -0.000 0.000 0.300 282 H C 2.055 177.360 175.328 -0.039 0.000 1.087 282 H CA 1.645 57.663 56.048 -0.051 0.000 1.319 282 H CB -0.210 29.529 29.762 -0.037 0.000 1.379 282 H HN 0.659 nan 8.280 nan 0.000 0.501 283 Y N 0.843 121.180 120.300 0.061 0.000 2.207 283 Y HA -0.294 4.255 4.550 -0.000 0.000 0.287 283 Y C 2.366 178.269 175.900 0.005 0.000 1.156 283 Y CA 1.197 59.306 58.100 0.015 0.000 1.182 283 Y CB -0.497 37.954 38.460 -0.015 0.000 0.979 283 Y HN 0.235 nan 8.280 nan 0.000 0.521 284 C N -0.187 119.155 119.300 0.071 0.000 2.457 284 C HA -0.059 4.400 4.460 -0.000 0.000 0.278 284 C C 2.739 177.692 174.990 -0.061 0.000 1.309 284 C CA 1.144 60.173 59.018 0.019 0.000 1.735 284 C CB -1.122 26.647 27.740 0.049 0.000 1.992 284 C HN 0.590 nan 8.230 nan 0.000 0.493 285 R N 1.737 122.169 120.500 -0.113 0.000 2.080 285 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 285 R C 1.537 177.763 176.300 -0.123 0.000 1.137 285 R CA 2.104 58.099 56.100 -0.175 0.000 0.943 285 R CB -0.644 29.567 30.300 -0.150 0.000 0.846 285 R HN 0.395 nan 8.270 nan 0.000 0.431 286 D N -0.439 119.863 120.400 -0.163 0.000 2.312 286 D HA -0.044 4.596 4.640 -0.000 0.000 0.211 286 D C 0.586 176.763 176.300 -0.204 0.000 0.964 286 D CA 0.761 54.656 54.000 -0.175 0.000 0.877 286 D CB 0.004 40.693 40.800 -0.186 0.000 0.924 286 D HN 0.321 nan 8.370 nan 0.000 0.515 287 N N -0.552 117.984 118.700 -0.274 0.000 2.184 287 N HA 0.083 4.823 4.740 -0.000 0.000 0.206 287 N C 0.879 176.348 175.510 -0.068 0.000 1.151 287 N CA 0.404 53.310 53.050 -0.238 0.000 0.878 287 N CB 1.599 39.751 38.487 -0.558 0.000 1.014 287 N HN 0.068 nan 8.380 nan 0.000 0.512 288 G N 1.685 110.495 108.800 0.016 0.000 2.221 288 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.265 288 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.265 288 G C -0.079 174.871 174.900 0.084 0.000 1.041 288 G CA 0.211 45.373 45.100 0.104 0.000 0.807 288 G HN 0.225 nan 8.290 nan 0.000 0.502 289 L N -0.731 120.570 121.223 0.129 0.000 2.399 289 L HA 0.656 4.996 4.340 -0.000 0.000 0.265 289 L C 1.039 177.983 176.870 0.123 0.000 1.089 289 L CA -1.085 53.803 54.840 0.080 0.000 0.802 289 L CB 1.195 43.314 42.059 0.100 0.000 1.180 289 L HN 0.052 nan 8.230 nan 0.000 0.454 290 L N 2.553 123.766 121.223 -0.016 0.000 2.343 290 L HA 0.475 4.815 4.340 -0.000 0.000 0.275 290 L C -0.648 176.131 176.870 -0.152 0.000 1.056 290 L CA -0.639 54.172 54.840 -0.049 0.000 0.804 290 L CB 1.712 43.669 42.059 -0.170 0.000 1.203 290 L HN 0.339 nan 8.230 nan 0.000 0.440 291 L N 1.897 123.006 121.223 -0.190 0.000 2.362 291 L HA 0.457 4.796 4.340 -0.000 0.000 0.275 291 L C -0.801 175.857 176.870 -0.354 0.000 0.998 291 L CA -0.250 54.460 54.840 -0.217 0.000 0.820 291 L CB 1.470 43.454 42.059 -0.126 0.000 1.270 291 L HN 0.466 nan 8.230 nan 0.000 0.415 292 H N 5.079 123.838 119.070 -0.519 0.000 2.519 292 H HA 0.595 5.151 4.556 -0.000 0.000 0.316 292 H C -0.906 174.270 175.328 -0.255 0.000 1.065 292 H CA -0.620 55.087 56.048 -0.570 0.000 1.264 292 H CB 0.725 29.875 29.762 -1.020 0.000 1.413 292 H HN 0.516 nan 8.280 nan 0.000 0.465 293 I N 5.110 125.349 120.570 -0.552 0.000 2.385 293 I HA 0.139 4.309 4.170 -0.000 0.000 0.294 293 I C 0.355 176.176 176.117 -0.493 0.000 0.988 293 I CA -0.361 60.714 61.300 -0.375 0.000 1.265 293 I CB 0.866 38.664 38.000 -0.338 0.000 1.388 293 I HN 0.703 nan 8.210 nan 0.000 0.480 294 H N 7.436 126.304 119.070 -0.337 0.000 2.466 294 H HA 0.335 4.891 4.556 -0.001 0.000 0.338 294 H C 0.119 175.327 175.328 -0.200 0.000 1.091 294 H CA -0.598 55.184 56.048 -0.444 0.000 1.207 294 H CB 1.635 31.218 29.762 -0.298 0.000 1.466 294 H HN 0.595 nan 8.280 nan 0.000 0.493 295 R N 3.526 123.692 120.500 -0.557 0.000 2.978 295 R HA 0.336 4.676 4.340 -0.000 0.000 0.298 295 R C -0.148 176.117 176.300 -0.059 0.000 1.296 295 R CA -0.438 55.576 56.100 -0.143 0.000 1.181 295 R CB -0.501 29.742 30.300 -0.094 0.000 1.348 295 R HN 0.398 nan 8.270 nan 0.000 0.585 296 A N 1.492 124.374 122.820 0.104 0.000 2.613 296 A HA 0.028 4.348 4.320 -0.000 0.000 0.230 296 A C 1.143 178.727 177.584 -0.002 0.000 1.051 296 A CA 1.059 53.179 52.037 0.139 0.000 0.754 296 A CB -0.102 19.003 19.000 0.175 0.000 0.979 296 A HN 0.851 nan 8.150 nan 0.000 0.510 297 M N -0.318 119.274 119.600 -0.013 0.000 2.925 297 M HA -0.356 4.123 4.480 -0.000 0.000 0.187 297 M C 1.046 177.319 176.300 -0.046 0.000 0.634 297 M CA 2.511 57.777 55.300 -0.058 0.000 0.714 297 M CB -2.120 30.421 32.600 -0.099 0.000 2.568 297 M HN 1.356 nan 8.290 nan 0.000 0.281 298 H N 0.093 119.101 119.070 -0.103 0.000 2.289 298 H HA 0.027 4.583 4.556 -0.000 0.000 0.294 298 H C 1.765 177.069 175.328 -0.039 0.000 1.095 298 H CA 2.731 58.743 56.048 -0.060 0.000 1.256 298 H CB -0.875 28.876 29.762 -0.020 0.000 1.359 298 H HN 0.573 nan 8.280 nan 0.000 0.487 299 A N 0.846 123.260 122.820 -0.676 0.000 2.178 299 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 299 A C 2.502 179.969 177.584 -0.195 0.000 1.157 299 A CA 1.266 52.999 52.037 -0.506 0.000 0.689 299 A CB -0.809 17.858 19.000 -0.555 0.000 0.787 299 A HN 0.403 nan 8.150 nan 0.000 0.465 300 V N -0.516 119.319 119.914 -0.132 0.000 2.515 300 V HA -0.207 3.912 4.120 -0.000 0.000 0.250 300 V C 2.134 178.212 176.094 -0.026 0.000 1.058 300 V CA 1.997 64.257 62.300 -0.066 0.000 1.064 300 V CB -0.539 31.251 31.823 -0.054 0.000 0.675 300 V HN 0.629 nan 8.190 nan 0.000 0.461 301 I N 0.692 121.253 120.570 -0.016 0.000 3.081 301 I HA 0.014 4.183 4.170 -0.000 0.000 0.274 301 I C 1.587 177.736 176.117 0.053 0.000 1.178 301 I CA 0.810 62.123 61.300 0.021 0.000 1.460 301 I CB -0.109 37.906 38.000 0.024 0.000 1.137 301 I HN 0.402 nan 8.210 nan 0.000 0.443 302 D N 0.307 120.737 120.400 0.050 0.000 2.388 302 D HA -0.007 4.633 4.640 -0.000 0.000 0.221 302 D C 1.690 178.021 176.300 0.051 0.000 1.133 302 D CA -0.026 54.018 54.000 0.073 0.000 0.831 302 D CB 0.062 40.944 40.800 0.137 0.000 0.962 302 D HN 0.123 nan 8.370 nan 0.000 0.502 303 R N -0.197 120.318 120.500 0.025 0.000 2.041 303 R HA 0.057 4.397 4.340 -0.000 0.000 0.221 303 R C 0.194 176.540 176.300 0.077 0.000 1.196 303 R CA 0.330 56.448 56.100 0.030 0.000 0.969 303 R CB 0.063 30.353 30.300 -0.016 0.000 0.858 303 R HN 0.039 nan 8.270 nan 0.000 0.444 304 Q N 1.946 121.797 119.800 0.086 0.000 2.262 304 Q HA -0.112 4.228 4.340 -0.000 0.000 0.298 304 Q C 0.223 176.301 176.000 0.130 0.000 1.083 304 Q CA 0.687 56.553 55.803 0.104 0.000 0.962 304 Q CB 0.759 29.562 28.738 0.109 0.000 1.104 304 Q HN 0.305 nan 8.270 nan 0.000 0.376 305 K N 3.383 123.856 120.400 0.121 0.000 2.515 305 K HA -0.116 4.203 4.320 -0.000 0.000 0.196 305 K C 0.589 177.259 176.600 0.116 0.000 1.038 305 K CA 1.099 57.462 56.287 0.127 0.000 0.967 305 K CB 0.367 32.931 32.500 0.107 0.000 0.780 305 K HN 0.578 nan 8.250 nan 0.000 0.483 306 N N -1.087 117.687 118.700 0.124 0.000 2.294 306 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 306 N C -0.414 175.207 175.510 0.185 0.000 1.107 306 N CA 0.030 53.155 53.050 0.125 0.000 0.884 306 N CB 0.155 38.706 38.487 0.107 0.000 1.030 306 N HN 0.133 nan 8.380 nan 0.000 0.482 307 H N -0.878 118.257 119.070 0.108 0.000 2.954 307 H HA 0.598 5.154 4.556 -0.000 0.000 0.361 307 H C 0.132 175.597 175.328 0.227 0.000 1.122 307 H CA 0.659 56.804 56.048 0.161 0.000 1.217 307 H CB 1.661 31.507 29.762 0.141 0.000 1.776 307 H HN 0.388 nan 8.280 nan 0.000 0.533 308 G N 2.300 111.164 108.800 0.107 0.000 2.306 308 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.262 308 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.262 308 G C -1.501 173.542 174.900 0.240 0.000 1.263 308 G CA -0.376 44.833 45.100 0.183 0.000 1.088 308 G HN 0.639 nan 8.290 nan 0.000 0.489 309 I N 1.132 121.762 120.570 0.100 0.000 2.436 309 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 309 I C 0.422 176.619 176.117 0.133 0.000 1.010 309 I CA -0.872 60.480 61.300 0.086 0.000 1.098 309 I CB 1.909 39.878 38.000 -0.052 0.000 1.266 309 I HN 0.685 nan 8.210 nan 0.000 0.434 310 H N 5.051 124.165 119.070 0.074 0.000 2.707 310 H HA 0.033 4.589 4.556 -0.000 0.000 0.359 310 H C 0.329 175.729 175.328 0.120 0.000 1.113 310 H CA 0.378 56.495 56.048 0.115 0.000 1.422 310 H CB 1.137 30.959 29.762 0.101 0.000 1.443 310 H HN 0.671 nan 8.280 nan 0.000 0.591 311 F N 5.247 124.788 119.950 -0.683 0.000 2.171 311 F HA -0.195 4.331 4.527 -0.000 0.000 0.300 311 F C 2.761 178.340 175.800 -0.367 0.000 1.090 311 F CA 1.718 59.431 58.000 -0.478 0.000 1.293 311 F CB -0.135 38.510 39.000 -0.592 0.000 1.013 311 F HN 0.686 nan 8.300 nan 0.000 0.486 312 R N 0.203 120.661 120.500 -0.071 0.000 2.096 312 R HA -0.174 4.165 4.340 -0.000 0.000 0.240 312 R C 1.835 178.106 176.300 -0.049 0.000 1.139 312 R CA 2.343 58.478 56.100 0.059 0.000 0.952 312 R CB -1.526 29.068 30.300 0.490 0.000 0.854 312 R HN 0.281 nan 8.270 nan 0.000 0.436 313 V N 1.540 121.478 119.914 0.040 0.000 2.295 313 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 313 V C 2.551 178.638 176.094 -0.010 0.000 1.049 313 V CA 1.533 63.847 62.300 0.024 0.000 1.024 313 V CB -0.594 31.254 31.823 0.042 0.000 0.648 313 V HN 0.193 nan 8.190 nan 0.000 0.447 314 L N 0.529 121.697 121.223 -0.092 0.000 2.043 314 L HA -0.205 4.134 4.340 -0.000 0.000 0.212 314 L C 2.591 179.284 176.870 -0.295 0.000 1.075 314 L CA 2.378 57.194 54.840 -0.040 0.000 0.752 314 L CB -1.367 40.666 42.059 -0.044 0.000 0.891 314 L HN 0.326 nan 8.230 nan 0.000 0.432 315 A N -1.127 121.244 122.820 -0.749 0.000 1.877 315 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 315 A C 2.339 179.760 177.584 -0.272 0.000 1.186 315 A CA 1.653 53.298 52.037 -0.654 0.000 0.620 315 A CB -0.398 18.112 19.000 -0.816 0.000 0.822 315 A HN 0.369 nan 8.150 nan 0.000 0.443 316 K N -0.386 119.953 120.400 -0.102 0.000 2.001 316 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 316 K C 2.326 178.903 176.600 -0.039 0.000 1.050 316 K CA 1.370 57.717 56.287 0.100 0.000 0.934 316 K CB -0.523 32.087 32.500 0.182 0.000 0.718 316 K HN 0.434 nan 8.250 nan 0.000 0.443 317 A N 1.550 124.317 122.820 -0.089 0.000 1.985 317 A HA -0.242 4.077 4.320 -0.000 0.000 0.223 317 A C 2.152 179.574 177.584 -0.270 0.000 1.189 317 A CA 1.864 53.751 52.037 -0.250 0.000 0.658 317 A CB -0.695 18.116 19.000 -0.315 0.000 0.820 317 A HN 0.374 nan 8.150 nan 0.000 0.464 318 L N -1.093 119.988 121.223 -0.236 0.000 2.068 318 L HA -0.029 4.311 4.340 -0.000 0.000 0.204 318 L C 2.524 179.205 176.870 -0.315 0.000 1.076 318 L CA 1.915 56.550 54.840 -0.342 0.000 0.753 318 L CB -0.255 41.411 42.059 -0.656 0.000 0.910 318 L HN 0.412 nan 8.230 nan 0.000 0.439 319 R N -0.306 119.990 120.500 -0.341 0.000 2.200 319 R HA -0.144 4.195 4.340 -0.000 0.000 0.234 319 R C 1.825 177.904 176.300 -0.369 0.000 1.127 319 R CA 1.798 57.640 56.100 -0.429 0.000 0.989 319 R CB -0.367 29.545 30.300 -0.647 0.000 0.869 319 R HN 0.420 nan 8.270 nan 0.000 0.459 320 M N -1.061 118.351 119.600 -0.313 0.000 2.171 320 M HA -0.033 4.447 4.480 -0.000 0.000 0.260 320 M C 2.358 178.615 176.300 -0.071 0.000 1.087 320 M CA 1.781 56.895 55.300 -0.309 0.000 1.154 320 M CB -0.307 31.927 32.600 -0.610 0.000 1.331 320 M HN 0.325 nan 8.290 nan 0.000 0.431 321 S N -0.236 115.408 115.700 -0.094 0.000 2.368 321 S HA 0.037 4.507 4.470 -0.000 0.000 0.225 321 S C 0.795 175.355 174.600 -0.068 0.000 1.030 321 S CA 1.362 59.552 58.200 -0.017 0.000 0.999 321 S CB -0.279 62.914 63.200 -0.011 0.000 0.844 321 S HN 0.652 nan 8.310 nan 0.000 0.459 322 G N -1.670 107.056 108.800 -0.123 0.000 2.621 322 G HA2 0.451 4.411 3.960 -0.000 0.000 0.355 322 G HA3 0.451 4.411 3.960 -0.000 0.000 0.355 322 G C -0.324 174.475 174.900 -0.167 0.000 1.509 322 G CA -0.387 44.631 45.100 -0.137 0.000 1.000 322 G HN 1.200 nan 8.290 nan 0.000 0.646 323 G N 0.856 109.549 108.800 -0.177 0.000 2.503 323 G HA2 0.549 4.509 3.960 -0.000 0.000 0.305 323 G HA3 0.549 4.509 3.960 -0.000 0.000 0.305 323 G C -0.203 174.608 174.900 -0.148 0.000 1.575 323 G CA 0.268 45.257 45.100 -0.185 0.000 0.890 323 G HN 0.363 nan 8.290 nan 0.000 0.612 324 D N -0.056 120.263 120.400 -0.134 0.000 2.162 324 D HA 0.085 4.724 4.640 -0.000 0.000 0.205 324 D C 0.549 176.895 176.300 0.075 0.000 0.964 324 D CA 1.208 55.176 54.000 -0.053 0.000 0.847 324 D CB 0.191 40.946 40.800 -0.076 0.000 0.988 324 D HN 0.622 nan 8.370 nan 0.000 0.480 325 H N -1.010 117.995 119.070 -0.109 0.000 2.679 325 H HA 0.644 5.199 4.556 -0.000 0.000 0.367 325 H C -0.710 174.509 175.328 -0.181 0.000 1.162 325 H CA -0.887 55.112 56.048 -0.082 0.000 1.181 325 H CB 2.948 32.753 29.762 0.071 0.000 1.693 325 H HN -0.108 nan 8.280 nan 0.000 0.538 326 I N 0.970 121.545 120.570 0.009 0.000 2.752 326 I HA 0.160 4.330 4.170 -0.000 0.000 0.295 326 I C -0.823 175.338 176.117 0.073 0.000 1.219 326 I CA -0.508 60.760 61.300 -0.054 0.000 1.030 326 I CB 2.159 40.113 38.000 -0.077 0.000 1.259 326 I HN 0.681 nan 8.210 nan 0.000 0.423 327 H N 4.740 123.734 119.070 -0.127 0.000 2.690 327 H HA 0.201 4.757 4.556 -0.000 0.000 0.314 327 H C 0.398 175.670 175.328 -0.094 0.000 1.069 327 H CA 0.039 56.000 56.048 -0.145 0.000 1.436 327 H CB 1.090 30.709 29.762 -0.238 0.000 1.462 327 H HN 0.649 nan 8.280 nan 0.000 0.511 328 S N 2.115 117.833 115.700 0.030 0.000 2.540 328 S HA 0.326 4.795 4.470 -0.000 0.000 0.222 328 S C 1.000 175.693 174.600 0.156 0.000 1.008 328 S CA 0.001 58.322 58.200 0.201 0.000 0.939 328 S CB 1.088 64.453 63.200 0.275 0.000 0.865 328 S HN 1.003 nan 8.310 nan 0.000 0.499 329 G N 1.006 109.790 108.800 -0.028 0.000 2.612 329 G HA2 0.041 4.000 3.960 -0.000 0.000 0.686 329 G HA3 0.041 4.000 3.960 -0.000 0.000 0.686 329 G C 0.145 175.076 174.900 0.052 0.000 1.274 329 G CA 0.091 45.199 45.100 0.013 0.000 0.849 329 G HN 0.885 nan 8.290 nan 0.000 0.595 330 T N -3.059 111.524 114.554 0.049 0.000 2.975 330 T HA 0.519 4.869 4.350 -0.000 0.000 0.261 330 T C 1.703 176.475 174.700 0.120 0.000 0.984 330 T CA 1.285 63.446 62.100 0.100 0.000 0.911 330 T CB 0.641 69.464 68.868 -0.074 0.000 1.127 330 T HN 2.303 nan 8.240 nan 0.000 0.514 331 V N 0.353 120.314 119.914 0.078 0.000 0.542 331 V HA -0.298 3.822 4.120 -0.000 0.000 0.092 331 V C 1.709 177.842 176.094 0.066 0.000 2.107 331 V CA 1.872 64.206 62.300 0.057 0.000 3.514 331 V CB -1.504 30.332 31.823 0.021 0.000 0.805 331 V HN 0.411 nan 8.190 nan 0.000 0.840 332 V N 1.284 121.241 119.914 0.072 0.000 3.602 332 V HA 0.462 4.581 4.120 -0.000 0.000 0.289 332 V C 1.000 177.128 176.094 0.056 0.000 1.265 332 V CA 1.606 63.979 62.300 0.121 0.000 1.202 332 V CB -0.265 31.645 31.823 0.145 0.000 1.012 332 V HN 0.825 nan 8.190 nan 0.000 0.431 333 G N -0.423 108.331 108.800 -0.078 0.000 3.243 333 G HA2 0.297 4.257 3.960 -0.000 0.000 0.248 333 G HA3 0.297 4.257 3.960 -0.000 0.000 0.248 333 G C 0.692 175.233 174.900 -0.600 0.000 1.267 333 G CA 0.158 45.042 45.100 -0.361 0.000 0.906 333 G HN 0.170 nan 8.290 nan 0.000 0.592 334 K N -0.947 118.834 120.400 -1.032 0.000 2.281 334 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 334 K C 0.157 176.550 176.600 -0.345 0.000 1.046 334 K CA 0.862 56.645 56.287 -0.840 0.000 0.938 334 K CB -0.318 31.743 32.500 -0.732 0.000 0.737 334 K HN 0.256 nan 8.250 nan 0.000 0.458 335 L N 1.288 122.368 121.223 -0.238 0.000 2.319 335 L HA 0.325 4.665 4.340 -0.000 0.000 0.267 335 L C -0.098 176.726 176.870 -0.075 0.000 1.011 335 L CA -1.260 53.499 54.840 -0.135 0.000 0.818 335 L CB 1.718 43.710 42.059 -0.111 0.000 1.316 335 L HN 0.087 nan 8.230 nan 0.000 0.432 336 E N 0.538 120.706 120.200 -0.053 0.000 2.459 336 E HA 0.343 4.693 4.350 -0.000 0.000 0.264 336 E C -0.243 176.376 176.600 0.031 0.000 1.055 336 E CA 0.834 57.232 56.400 -0.003 0.000 0.957 336 E CB 0.514 30.212 29.700 -0.005 0.000 0.952 336 E HN 0.750 nan 8.360 nan 0.000 0.448 337 G N 2.672 111.511 108.800 0.065 0.000 1.980 337 G HA2 0.088 4.048 3.960 -0.000 0.000 0.198 337 G HA3 0.088 4.048 3.960 -0.000 0.000 0.198 337 G C -1.458 173.492 174.900 0.083 0.000 1.587 337 G CA -0.869 44.288 45.100 0.095 0.000 0.975 337 G HN 0.394 nan 8.290 nan 0.000 0.682 338 E N 1.284 121.540 120.200 0.094 0.000 2.231 338 E HA 0.450 4.800 4.350 -0.000 0.000 0.277 338 E C 1.545 178.150 176.600 0.009 0.000 0.999 338 E CA -1.136 55.300 56.400 0.059 0.000 0.827 338 E CB 1.493 31.233 29.700 0.068 0.000 1.101 338 E HN 0.506 nan 8.360 nan 0.000 0.393 339 R N 2.727 123.214 120.500 -0.022 0.000 2.133 339 R HA -0.236 4.104 4.340 -0.000 0.000 0.245 339 R C 0.714 176.956 176.300 -0.096 0.000 1.137 339 R CA 2.395 58.450 56.100 -0.075 0.000 0.947 339 R CB 0.014 30.280 30.300 -0.056 0.000 0.865 339 R HN 0.580 nan 8.270 nan 0.000 0.437 340 D N 0.117 120.485 120.400 -0.053 0.000 2.097 340 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 340 D C 2.054 178.316 176.300 -0.063 0.000 0.984 340 D CA 1.011 54.981 54.000 -0.051 0.000 0.826 340 D CB -0.184 40.603 40.800 -0.022 0.000 0.973 340 D HN 0.210 nan 8.370 nan 0.000 0.460 341 I N 1.530 122.085 120.570 -0.024 0.000 2.127 341 I HA -0.224 3.946 4.170 -0.000 0.000 0.241 341 I C 2.462 178.410 176.117 -0.282 0.000 1.075 341 I CA 1.233 62.544 61.300 0.018 0.000 1.334 341 I CB -1.567 36.542 38.000 0.182 0.000 1.040 341 I HN -0.005 nan 8.210 nan 0.000 0.405 342 T N 1.867 116.161 114.554 -0.433 0.000 2.665 342 T HA -0.183 4.166 4.350 -0.000 0.000 0.268 342 T C 2.159 176.475 174.700 -0.640 0.000 1.035 342 T CA 1.284 62.835 62.100 -0.915 0.000 1.151 342 T CB -0.457 68.196 68.868 -0.359 0.000 0.862 342 T HN 0.241 nan 8.240 nan 0.000 0.438 343 L N 0.528 121.565 121.223 -0.311 0.000 2.081 343 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 343 L C 2.939 179.754 176.870 -0.091 0.000 1.080 343 L CA 1.442 56.179 54.840 -0.172 0.000 0.754 343 L CB -1.152 40.832 42.059 -0.126 0.000 0.893 343 L HN 0.389 nan 8.230 nan 0.000 0.433 344 G N 1.155 109.900 108.800 -0.092 0.000 2.511 344 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.216 344 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.216 344 G C 1.261 176.255 174.900 0.157 0.000 1.218 344 G CA 1.132 46.257 45.100 0.042 0.000 0.788 344 G HN 0.484 nan 8.290 nan 0.000 0.560 345 F N 0.482 120.551 119.950 0.199 0.000 2.407 345 F HA 0.192 4.719 4.527 -0.000 0.000 0.299 345 F C 2.199 178.117 175.800 0.196 0.000 1.097 345 F CA 0.196 58.326 58.000 0.217 0.000 1.422 345 F CB -0.862 38.300 39.000 0.270 0.000 1.067 345 F HN 0.001 nan 8.300 nan 0.000 0.539 346 V N 1.179 121.240 119.914 0.246 0.000 2.626 346 V HA -0.203 3.917 4.120 -0.000 0.000 0.252 346 V C 1.825 178.047 176.094 0.214 0.000 1.067 346 V CA 1.993 64.455 62.300 0.270 0.000 1.081 346 V CB -0.649 31.299 31.823 0.210 0.000 0.686 346 V HN 0.278 nan 8.190 nan 0.000 0.468 347 D N -0.045 120.468 120.400 0.187 0.000 2.194 347 D HA -0.024 4.615 4.640 -0.000 0.000 0.204 347 D C 2.130 178.571 176.300 0.235 0.000 0.964 347 D CA 0.801 54.907 54.000 0.177 0.000 0.846 347 D CB -0.032 40.856 40.800 0.148 0.000 0.962 347 D HN 0.334 nan 8.370 nan 0.000 0.490 348 L N 0.080 121.475 121.223 0.286 0.000 2.141 348 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 348 L C 2.121 179.177 176.870 0.309 0.000 1.094 348 L CA 0.435 55.511 54.840 0.393 0.000 0.763 348 L CB -0.151 42.135 42.059 0.378 0.000 0.908 348 L HN 0.068 nan 8.230 nan 0.000 0.437 349 L N -0.311 121.021 121.223 0.182 0.000 2.095 349 L HA -0.090 4.250 4.340 -0.000 0.000 0.204 349 L C 2.602 179.440 176.870 -0.053 0.000 1.080 349 L CA 1.750 56.601 54.840 0.018 0.000 0.759 349 L CB -0.676 41.430 42.059 0.079 0.000 0.914 349 L HN 0.191 nan 8.230 nan 0.000 0.439 350 R N -1.387 119.137 120.500 0.041 0.000 2.225 350 R HA 0.106 4.446 4.340 -0.000 0.000 0.194 350 R C 0.032 176.362 176.300 0.051 0.000 0.957 350 R CA -0.196 55.918 56.100 0.023 0.000 1.042 350 R CB 0.132 30.472 30.300 0.067 0.000 1.004 350 R HN 0.253 nan 8.270 nan 0.000 0.509 351 D N 0.710 121.189 120.400 0.132 0.000 2.398 351 D HA -0.016 4.624 4.640 -0.000 0.000 0.247 351 D C 0.401 176.863 176.300 0.270 0.000 1.227 351 D CA -0.000 54.114 54.000 0.190 0.000 0.980 351 D CB 0.824 41.753 40.800 0.214 0.000 1.106 351 D HN -0.099 nan 8.370 nan 0.000 0.493 352 D N -1.376 119.187 120.400 0.272 0.000 2.216 352 D HA 0.002 4.641 4.640 -0.000 0.000 0.208 352 D C -0.516 176.050 176.300 0.443 0.000 0.960 352 D CA 0.421 54.621 54.000 0.333 0.000 0.861 352 D CB 0.302 41.243 40.800 0.235 0.000 0.985 352 D HN 0.181 nan 8.370 nan 0.000 0.493 353 F N 0.090 120.155 119.950 0.190 0.000 2.574 353 F HA 0.487 5.014 4.527 -0.000 0.000 0.313 353 F C -1.663 174.201 175.800 0.107 0.000 1.130 353 F CA -0.881 57.185 58.000 0.109 0.000 0.936 353 F CB 1.724 40.766 39.000 0.070 0.000 1.219 353 F HN -0.353 nan 8.300 nan 0.000 0.445 354 V N 4.554 124.402 119.914 -0.110 0.000 2.525 354 V HA 0.320 4.440 4.120 -0.000 0.000 0.299 354 V C -0.621 175.381 176.094 -0.152 0.000 1.034 354 V CA -0.774 61.535 62.300 0.015 0.000 0.863 354 V CB 1.609 33.470 31.823 0.064 0.000 0.999 354 V HN 0.682 nan 8.190 nan 0.000 0.423 355 E N 3.088 123.326 120.200 0.062 0.000 2.373 355 E HA 0.193 4.543 4.350 -0.000 0.000 0.267 355 E C 0.193 176.810 176.600 0.028 0.000 1.032 355 E CA 0.003 56.450 56.400 0.079 0.000 0.889 355 E CB 0.802 30.615 29.700 0.190 0.000 0.984 355 E HN 0.713 nan 8.360 nan 0.000 0.425 356 Q N 2.852 122.659 119.800 0.012 0.000 2.283 356 Q HA -0.064 4.276 4.340 -0.000 0.000 0.301 356 Q C -0.931 175.061 176.000 -0.014 0.000 1.063 356 Q CA 0.531 56.334 55.803 -0.000 0.000 0.952 356 Q CB 0.385 29.123 28.738 0.001 0.000 1.166 356 Q HN 0.386 nan 8.270 nan 0.000 0.381 357 D N 3.108 123.486 120.400 -0.038 0.000 2.527 357 D HA 0.178 4.818 4.640 -0.000 0.000 0.242 357 D C 0.082 176.321 176.300 -0.103 0.000 1.285 357 D CA -0.418 53.552 54.000 -0.050 0.000 0.886 357 D CB 0.477 41.271 40.800 -0.010 0.000 1.402 357 D HN 0.712 nan 8.370 nan 0.000 0.528 358 R N 0.687 121.083 120.500 -0.174 0.000 2.226 358 R HA -0.188 4.152 4.340 -0.000 0.000 0.246 358 R C 2.063 178.254 176.300 -0.182 0.000 1.161 358 R CA 1.784 57.715 56.100 -0.281 0.000 0.997 358 R CB -0.005 30.091 30.300 -0.340 0.000 0.870 358 R HN 0.541 nan 8.270 nan 0.000 0.465 359 S N 0.765 116.401 115.700 -0.106 0.000 2.354 359 S HA -0.197 4.272 4.470 -0.000 0.000 0.219 359 S C 1.636 176.204 174.600 -0.053 0.000 1.035 359 S CA 0.933 59.094 58.200 -0.065 0.000 1.037 359 S CB -0.231 62.944 63.200 -0.042 0.000 0.956 359 S HN 0.303 nan 8.310 nan 0.000 0.428 360 R N 1.407 121.884 120.500 -0.038 0.000 2.391 360 R HA 0.220 4.560 4.340 -0.000 0.000 0.225 360 R C 1.422 177.727 176.300 0.009 0.000 1.079 360 R CA 0.418 56.511 56.100 -0.011 0.000 1.147 360 R CB -0.776 29.525 30.300 0.002 0.000 1.103 360 R HN 0.783 nan 8.270 nan 0.000 0.499 361 G N 1.235 110.012 108.800 -0.038 0.000 2.168 361 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.263 361 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.263 361 G C 0.261 175.216 174.900 0.092 0.000 0.977 361 G CA -0.079 45.026 45.100 0.009 0.000 0.659 361 G HN 0.365 nan 8.290 nan 0.000 0.533 362 I N 1.189 121.779 120.570 0.034 0.000 2.278 362 I HA 0.246 4.416 4.170 -0.000 0.000 0.296 362 I C 1.244 177.372 176.117 0.019 0.000 1.121 362 I CA -0.809 60.553 61.300 0.103 0.000 1.267 362 I CB 0.269 38.312 38.000 0.072 0.000 1.447 362 I HN 0.057 nan 8.210 nan 0.000 0.509 363 Y N 5.369 125.575 120.300 -0.157 0.000 2.571 363 Y HA 0.101 4.650 4.550 -0.000 0.000 0.294 363 Y C 0.160 175.690 175.900 -0.617 0.000 1.141 363 Y CA 0.385 58.243 58.100 -0.403 0.000 1.308 363 Y CB -0.309 37.758 38.460 -0.654 0.000 1.002 363 Y HN 0.308 nan 8.280 nan 0.000 0.551 364 F N -2.262 117.765 119.950 0.128 0.000 2.619 364 F HA 0.359 4.886 4.527 -0.001 0.000 0.308 364 F C 0.082 175.842 175.800 -0.067 0.000 1.097 364 F CA -1.674 56.350 58.000 0.040 0.000 0.953 364 F CB 1.024 40.031 39.000 0.012 0.000 1.287 364 F HN -0.508 nan 8.300 nan 0.000 0.446 365 T N 1.732 116.348 114.554 0.103 0.000 2.870 365 T HA 0.240 4.589 4.350 -0.000 0.000 0.300 365 T C -0.437 174.095 174.700 -0.280 0.000 0.989 365 T CA -0.080 61.932 62.100 -0.147 0.000 1.139 365 T CB 0.657 69.427 68.868 -0.163 0.000 0.920 365 T HN 0.381 nan 8.240 nan 0.000 0.537 366 Q N 2.794 122.330 119.800 -0.440 0.000 2.333 366 Q HA 0.351 4.691 4.340 -0.000 0.000 0.265 366 Q C -1.282 174.267 176.000 -0.751 0.000 0.989 366 Q CA -0.693 54.753 55.803 -0.594 0.000 0.842 366 Q CB 1.189 29.540 28.738 -0.645 0.000 1.262 366 Q HN 0.548 nan 8.270 nan 0.000 0.451 367 D N 3.019 123.044 120.400 -0.625 0.000 2.349 367 D HA 0.199 4.839 4.640 -0.000 0.000 0.232 367 D C -0.620 175.532 176.300 -0.246 0.000 1.071 367 D CA -0.357 53.431 54.000 -0.354 0.000 0.832 367 D CB 0.514 41.257 40.800 -0.096 0.000 1.086 367 D HN 0.676 nan 8.370 nan 0.000 0.504 368 W N 3.320 124.625 121.300 0.008 0.000 3.388 368 W HA 0.090 4.750 4.660 -0.000 0.000 0.324 368 W C 0.913 177.448 176.519 0.027 0.000 1.250 368 W CA -0.593 56.753 57.345 0.002 0.000 1.809 368 W CB -0.093 29.366 29.460 -0.002 0.000 1.083 368 W HN 0.350 nan 8.180 nan 0.000 0.685 369 V N -0.060 119.996 119.914 0.236 0.000 5.633 369 V HA -0.377 3.743 4.120 -0.000 0.000 0.145 369 V C 0.749 176.939 176.094 0.160 0.000 0.731 369 V CA 0.662 63.065 62.300 0.171 0.000 0.520 369 V CB -2.272 29.625 31.823 0.123 0.000 0.164 369 V HN 0.468 nan 8.190 nan 0.000 0.360 370 S N -1.353 114.448 115.700 0.168 0.000 3.587 370 S HA -0.211 4.259 4.470 -0.000 0.000 0.337 370 S C 0.139 174.790 174.600 0.085 0.000 1.119 370 S CA 0.990 59.261 58.200 0.118 0.000 0.976 370 S CB -1.205 62.045 63.200 0.083 0.000 0.922 370 S HN 1.575 nan 8.310 nan 0.000 0.503 371 L N 1.834 123.117 121.223 0.100 0.000 2.397 371 L HA 0.473 4.813 4.340 -0.000 0.000 0.271 371 L C -1.956 174.864 176.870 -0.084 0.000 1.148 371 L CA -1.448 53.391 54.840 -0.001 0.000 0.825 371 L CB -0.092 41.966 42.059 -0.002 0.000 1.117 371 L HN -0.144 nan 8.230 nan 0.000 0.456 372 P HA 0.186 nan 4.420 nan 0.000 0.269 372 P C -0.600 176.597 177.300 -0.172 0.000 1.217 372 P CA -0.066 62.979 63.100 -0.091 0.000 0.783 372 P CB 0.443 32.101 31.700 -0.070 0.000 0.898 373 G N 0.212 108.943 108.800 -0.115 0.000 2.461 373 G HA2 0.540 4.500 3.960 -0.000 0.000 0.329 373 G HA3 0.540 4.500 3.960 -0.000 0.000 0.329 373 G C -1.154 173.687 174.900 -0.098 0.000 1.170 373 G CA -0.515 44.496 45.100 -0.149 0.000 0.935 373 G HN 0.353 nan 8.290 nan 0.000 0.492 374 V N 1.043 120.894 119.914 -0.104 0.000 2.513 374 V HA 0.298 4.418 4.120 -0.000 0.000 0.299 374 V C -0.298 175.794 176.094 -0.003 0.000 1.035 374 V CA -0.903 61.363 62.300 -0.057 0.000 0.889 374 V CB 1.614 33.364 31.823 -0.122 0.000 0.988 374 V HN 0.550 nan 8.190 nan 0.000 0.440 375 L N 8.661 129.905 121.223 0.034 0.000 2.385 375 L HA 0.384 4.724 4.340 -0.000 0.000 0.281 375 L C -1.887 174.967 176.870 -0.027 0.000 1.106 375 L CA -1.588 53.255 54.840 0.004 0.000 0.856 375 L CB 0.629 42.687 42.059 -0.002 0.000 1.186 375 L HN 0.461 nan 8.230 nan 0.000 0.453 376 P HA 0.137 nan 4.420 nan 0.000 0.275 376 P C -1.167 176.014 177.300 -0.198 0.000 1.228 376 P CA -0.261 62.805 63.100 -0.057 0.000 0.786 376 P CB 1.494 33.191 31.700 -0.005 0.000 0.927 377 V N 2.224 122.015 119.914 -0.205 0.000 2.487 377 V HA 0.524 4.644 4.120 -0.000 0.000 0.298 377 V C 0.386 176.187 176.094 -0.488 0.000 1.028 377 V CA -0.903 61.199 62.300 -0.329 0.000 0.860 377 V CB 1.444 33.161 31.823 -0.176 0.000 0.991 377 V HN 0.698 nan 8.190 nan 0.000 0.427 378 A N 3.494 125.958 122.820 -0.594 0.000 2.260 378 A HA 0.814 5.134 4.320 -0.000 0.000 0.312 378 A C 0.008 177.289 177.584 -0.504 0.000 1.321 378 A CA -0.191 51.502 52.037 -0.574 0.000 0.928 378 A CB 0.862 19.454 19.000 -0.679 0.000 1.158 378 A HN 0.749 nan 8.150 nan 0.000 0.542 379 S N 0.998 116.437 115.700 -0.434 0.000 2.556 379 S HA 0.791 5.261 4.470 -0.000 0.000 0.271 379 S C -0.398 174.037 174.600 -0.274 0.000 1.135 379 S CA 0.345 58.309 58.200 -0.394 0.000 0.858 379 S CB 1.596 64.552 63.200 -0.406 0.000 1.114 379 S HN 2.506 nan 8.310 nan 0.000 0.468 380 G N 1.288 109.932 108.800 -0.260 0.000 3.238 380 G HA2 0.414 4.374 3.960 -0.000 0.000 0.684 380 G HA3 0.414 4.374 3.960 -0.000 0.000 0.684 380 G C 0.714 175.421 174.900 -0.322 0.000 1.156 380 G CA 0.084 45.052 45.100 -0.220 0.000 1.048 380 G HN 2.016 nan 8.290 nan 0.000 0.462 381 G N 0.651 109.283 108.800 -0.280 0.000 2.333 381 G HA2 0.124 4.084 3.960 -0.000 0.000 0.296 381 G HA3 0.124 4.084 3.960 -0.000 0.000 0.296 381 G C 0.456 175.168 174.900 -0.312 0.000 1.059 381 G CA 0.995 45.887 45.100 -0.345 0.000 1.050 381 G HN 2.345 nan 8.290 nan 0.000 0.508 382 I N -2.487 117.943 120.570 -0.233 0.000 2.785 382 I HA 0.975 5.145 4.170 -0.000 0.000 0.302 382 I C -0.161 176.042 176.117 0.144 0.000 1.069 382 I CA -1.658 59.421 61.300 -0.369 0.000 1.045 382 I CB 2.323 40.078 38.000 -0.407 0.000 1.236 382 I HN 0.338 nan 8.210 nan 0.000 0.429 383 H N 1.367 120.772 119.070 0.558 0.000 2.966 383 H HA 0.469 5.024 4.556 -0.001 0.000 0.330 383 H C 0.325 175.773 175.328 0.200 0.000 1.292 383 H CA -0.930 55.237 56.048 0.198 0.000 1.127 383 H CB 0.909 30.605 29.762 -0.111 0.000 1.863 383 H HN 0.252 nan 8.280 nan 0.000 0.543 384 V N -0.238 119.731 119.914 0.092 0.000 2.257 384 V HA -0.355 3.764 4.120 -0.000 0.000 0.257 384 V C 1.069 177.124 176.094 -0.064 0.000 1.077 384 V CA 2.638 64.848 62.300 -0.151 0.000 1.063 384 V CB -0.666 30.997 31.823 -0.266 0.000 0.664 384 V HN 0.862 nan 8.190 nan 0.000 0.450 385 W N -0.948 120.523 121.300 0.286 0.000 2.982 385 W HA -0.013 4.646 4.660 -0.001 0.000 0.239 385 W C 2.015 178.563 176.519 0.048 0.000 1.303 385 W CA 0.665 58.097 57.345 0.145 0.000 1.448 385 W CB -0.305 29.246 29.460 0.150 0.000 1.133 385 W HN 0.484 nan 8.180 nan 0.000 0.698 386 H N -1.835 117.373 119.070 0.231 0.000 2.986 386 H HA 0.130 4.686 4.556 -0.000 0.000 0.267 386 H C 1.795 177.214 175.328 0.152 0.000 1.072 386 H CA 0.123 56.266 56.048 0.159 0.000 1.202 386 H CB -0.065 29.739 29.762 0.070 0.000 1.535 386 H HN 0.127 nan 8.280 nan 0.000 0.522 387 M N 2.751 122.497 119.600 0.242 0.000 2.308 387 M HA -0.147 4.333 4.480 -0.000 0.000 0.257 387 M C -0.867 175.527 176.300 0.158 0.000 1.070 387 M CA 2.162 57.569 55.300 0.179 0.000 1.080 387 M CB -0.949 31.691 32.600 0.067 0.000 1.274 387 M HN 0.084 nan 8.290 nan 0.000 0.434 388 P HA -0.077 nan 4.420 nan 0.000 0.220 388 P C 0.844 178.209 177.300 0.109 0.000 1.148 388 P CA 2.149 65.315 63.100 0.109 0.000 0.803 388 P CB -0.373 31.390 31.700 0.105 0.000 0.782 389 A N 0.062 122.963 122.820 0.135 0.000 1.855 389 A HA -0.055 4.264 4.320 -0.000 0.000 0.213 389 A C 2.402 180.041 177.584 0.092 0.000 1.195 389 A CA 0.946 53.046 52.037 0.106 0.000 0.610 389 A CB -1.481 17.602 19.000 0.138 0.000 0.837 389 A HN 0.072 nan 8.150 nan 0.000 0.444 390 L N -0.314 121.009 121.223 0.165 0.000 1.971 390 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 390 L C 2.852 179.864 176.870 0.237 0.000 1.072 390 L CA 2.022 57.019 54.840 0.262 0.000 0.758 390 L CB -1.232 40.991 42.059 0.273 0.000 0.889 390 L HN 0.379 nan 8.230 nan 0.000 0.433 391 T N -1.084 113.576 114.554 0.177 0.000 2.653 391 T HA -0.278 4.071 4.350 -0.000 0.000 0.268 391 T C 1.786 176.543 174.700 0.095 0.000 1.035 391 T CA 1.704 63.887 62.100 0.138 0.000 1.154 391 T CB -0.290 68.642 68.868 0.106 0.000 0.862 391 T HN 0.336 nan 8.240 nan 0.000 0.441 392 E N 0.888 121.123 120.200 0.059 0.000 2.012 392 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 392 E C 2.341 178.905 176.600 -0.059 0.000 1.007 392 E CA 1.205 57.611 56.400 0.010 0.000 0.816 392 E CB -0.312 29.391 29.700 0.006 0.000 0.762 392 E HN 0.495 nan 8.360 nan 0.000 0.451 393 I N -0.127 120.346 120.570 -0.161 0.000 2.163 393 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 393 I C 2.246 178.067 176.117 -0.493 0.000 1.085 393 I CA 1.294 62.359 61.300 -0.390 0.000 1.347 393 I CB -0.371 37.214 38.000 -0.691 0.000 1.044 393 I HN 0.061 nan 8.210 nan 0.000 0.408 394 F N 0.474 120.429 119.950 0.008 0.000 2.530 394 F HA 0.334 4.861 4.527 -0.001 0.000 0.292 394 F C 1.506 177.316 175.800 0.016 0.000 1.109 394 F CA 0.608 58.611 58.000 0.006 0.000 1.450 394 F CB -0.658 38.339 39.000 -0.004 0.000 1.114 394 F HN 0.158 nan 8.300 nan 0.000 0.560 395 G N 0.651 109.552 108.800 0.169 0.000 2.756 395 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.678 395 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.678 395 G C -0.014 174.958 174.900 0.120 0.000 1.349 395 G CA -0.220 44.952 45.100 0.120 0.000 0.847 395 G HN 0.092 nan 8.290 nan 0.000 0.548 396 D N 0.206 120.661 120.400 0.090 0.000 2.149 396 D HA -0.020 4.620 4.640 -0.000 0.000 0.198 396 D C 1.016 177.355 176.300 0.065 0.000 0.990 396 D CA 1.548 55.593 54.000 0.075 0.000 0.839 396 D CB -0.106 40.737 40.800 0.072 0.000 0.948 396 D HN 0.450 nan 8.370 nan 0.000 0.460 397 D N 0.753 121.197 120.400 0.073 0.000 2.608 397 D HA 0.167 4.806 4.640 -0.000 0.000 0.224 397 D C 0.049 176.375 176.300 0.044 0.000 1.123 397 D CA 0.119 54.153 54.000 0.057 0.000 1.030 397 D CB -0.166 40.674 40.800 0.066 0.000 1.093 397 D HN 0.056 nan 8.370 nan 0.000 0.497 398 S N -1.321 114.380 115.700 0.002 0.000 2.587 398 S HA 0.560 5.030 4.470 -0.000 0.000 0.269 398 S C -1.010 173.520 174.600 -0.117 0.000 1.154 398 S CA -0.928 57.222 58.200 -0.083 0.000 0.824 398 S CB 1.691 64.829 63.200 -0.103 0.000 1.118 398 S HN -0.077 nan 8.310 nan 0.000 0.462 399 V N 1.769 121.561 119.914 -0.203 0.000 2.495 399 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 399 V C -0.865 175.087 176.094 -0.237 0.000 1.031 399 V CA -0.608 61.594 62.300 -0.163 0.000 0.871 399 V CB 1.200 32.926 31.823 -0.162 0.000 0.988 399 V HN 0.820 nan 8.190 nan 0.000 0.432 400 L N 5.186 126.290 121.223 -0.199 0.000 2.325 400 L HA 0.588 4.927 4.340 -0.000 0.000 0.281 400 L C -0.265 176.300 176.870 -0.508 0.000 1.004 400 L CA -0.387 54.241 54.840 -0.353 0.000 0.823 400 L CB 1.616 43.565 42.059 -0.184 0.000 1.236 400 L HN 0.563 nan 8.230 nan 0.000 0.415 401 Q N 3.418 122.790 119.800 -0.714 0.000 2.322 401 Q HA 0.486 4.826 4.340 -0.000 0.000 0.265 401 Q C -1.462 174.005 176.000 -0.888 0.000 0.985 401 Q CA -0.542 54.875 55.803 -0.644 0.000 0.849 401 Q CB 2.438 30.947 28.738 -0.381 0.000 1.274 401 Q HN 0.405 nan 8.270 nan 0.000 0.449 402 F N 1.198 121.080 119.950 -0.114 0.000 2.307 402 F HA 0.329 4.856 4.527 -0.000 0.000 0.369 402 F C 0.977 176.720 175.800 -0.095 0.000 1.076 402 F CA -0.618 57.312 58.000 -0.116 0.000 1.149 402 F CB 0.997 39.927 39.000 -0.116 0.000 1.410 402 F HN 0.708 nan 8.300 nan 0.000 0.481 403 G N 1.652 110.459 108.800 0.011 0.000 2.648 403 G HA2 0.077 4.037 3.960 -0.000 0.000 0.217 403 G HA3 0.077 4.037 3.960 -0.000 0.000 0.217 403 G C 1.752 176.676 174.900 0.041 0.000 1.386 403 G CA 0.563 45.671 45.100 0.013 0.000 0.920 403 G HN 0.715 nan 8.290 nan 0.000 0.540 404 G N 0.744 109.563 108.800 0.031 0.000 2.476 404 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.218 404 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.218 404 G C 1.765 176.679 174.900 0.023 0.000 1.164 404 G CA 1.455 46.590 45.100 0.059 0.000 0.768 404 G HN 0.780 nan 8.290 nan 0.000 0.560 405 G N -0.820 107.918 108.800 -0.104 0.000 2.615 405 G HA2 0.082 4.042 3.960 -0.000 0.000 0.213 405 G HA3 0.082 4.042 3.960 -0.000 0.000 0.213 405 G C 1.429 176.283 174.900 -0.077 0.000 1.135 405 G CA 1.720 46.622 45.100 -0.330 0.000 0.772 405 G HN 0.454 nan 8.290 nan 0.000 0.542 406 T N -0.014 114.585 114.554 0.075 0.000 3.311 406 T HA 0.097 4.446 4.350 -0.000 0.000 0.239 406 T C 1.905 176.689 174.700 0.141 0.000 0.976 406 T CA -0.154 61.998 62.100 0.087 0.000 1.283 406 T CB -0.103 68.796 68.868 0.052 0.000 1.113 406 T HN 0.027 nan 8.240 nan 0.000 0.392 407 L N 1.824 123.117 121.223 0.117 0.000 2.633 407 L HA 0.207 4.546 4.340 -0.000 0.000 0.235 407 L C 2.257 179.242 176.870 0.192 0.000 1.163 407 L CA 0.899 55.811 54.840 0.121 0.000 0.859 407 L CB -0.451 41.648 42.059 0.066 0.000 0.973 407 L HN 0.393 nan 8.230 nan 0.000 0.451 408 G N -2.964 106.019 108.800 0.304 0.000 2.838 408 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.210 408 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.210 408 G C 0.658 175.839 174.900 0.469 0.000 1.153 408 G CA -0.259 45.120 45.100 0.464 0.000 0.778 408 G HN 0.360 nan 8.290 nan 0.000 0.539 409 H N 2.130 121.397 119.070 0.330 0.000 2.886 409 H HA 0.080 4.636 4.556 -0.001 0.000 0.329 409 H C -0.980 174.318 175.328 -0.051 0.000 1.044 409 H CA -1.125 54.943 56.048 0.033 0.000 1.456 409 H CB 1.925 31.695 29.762 0.013 0.000 1.464 409 H HN 0.017 nan 8.280 nan 0.000 0.573 410 P HA -0.173 nan 4.420 nan 0.000 0.218 410 P C 0.465 177.867 177.300 0.170 0.000 1.146 410 P CA 1.254 64.209 63.100 -0.241 0.000 0.813 410 P CB 0.071 31.507 31.700 -0.440 0.000 0.778 411 W N 0.218 121.577 121.300 0.098 0.000 3.123 411 W HA 0.538 5.197 4.660 -0.001 0.000 0.383 411 W C 0.981 177.602 176.519 0.170 0.000 1.102 411 W CA 0.096 57.544 57.345 0.172 0.000 1.865 411 W CB -0.715 28.870 29.460 0.208 0.000 1.111 411 W HN 0.050 nan 8.180 nan 0.000 0.621 412 G N 1.271 110.285 108.800 0.356 0.000 2.712 412 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.683 412 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.683 412 G C 0.672 175.646 174.900 0.123 0.000 1.320 412 G CA -0.228 44.988 45.100 0.194 0.000 0.847 412 G HN 0.022 nan 8.290 nan 0.000 0.553 413 N N 0.238 118.969 118.700 0.052 0.000 2.007 413 N HA -0.080 4.660 4.740 -0.000 0.000 0.197 413 N C 2.942 178.406 175.510 -0.077 0.000 1.050 413 N CA 3.529 56.570 53.050 -0.015 0.000 0.856 413 N CB -0.810 37.661 38.487 -0.026 0.000 1.050 413 N HN 1.413 nan 8.380 nan 0.000 0.423 414 A N 1.457 124.226 122.820 -0.086 0.000 1.881 414 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 414 A C -0.140 177.365 177.584 -0.132 0.000 1.215 414 A CA 2.314 54.282 52.037 -0.115 0.000 0.648 414 A CB -1.867 17.074 19.000 -0.099 0.000 0.832 414 A HN 0.286 nan 8.150 nan 0.000 0.455 415 P HA -0.114 nan 4.420 nan 0.000 0.214 415 P C 1.769 178.697 177.300 -0.620 0.000 1.163 415 P CA 1.838 64.778 63.100 -0.265 0.000 0.883 415 P CB -0.540 31.110 31.700 -0.082 0.000 0.788 416 G N -0.319 108.096 108.800 -0.643 0.000 2.475 416 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 416 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 416 G C 1.580 176.312 174.900 -0.280 0.000 1.125 416 G CA 1.092 45.904 45.100 -0.481 0.000 0.755 416 G HN 0.358 nan 8.290 nan 0.000 0.565 417 A N 0.359 123.048 122.820 -0.218 0.000 1.832 417 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 417 A C 2.608 180.079 177.584 -0.189 0.000 1.200 417 A CA 1.971 53.911 52.037 -0.161 0.000 0.610 417 A CB -0.903 18.022 19.000 -0.125 0.000 0.842 417 A HN 0.339 nan 8.150 nan 0.000 0.444 418 V N 0.434 120.232 119.914 -0.194 0.000 2.277 418 V HA -0.369 3.751 4.120 -0.000 0.000 0.253 418 V C 3.017 178.973 176.094 -0.230 0.000 1.067 418 V CA 2.357 64.550 62.300 -0.179 0.000 1.047 418 V CB -1.730 29.998 31.823 -0.158 0.000 0.649 418 V HN 0.659 nan 8.190 nan 0.000 0.447 419 A N 0.722 123.356 122.820 -0.310 0.000 1.869 419 A HA -0.362 3.958 4.320 -0.000 0.000 0.218 419 A C 2.043 179.449 177.584 -0.297 0.000 1.203 419 A CA 2.839 54.684 52.037 -0.321 0.000 0.638 419 A CB -1.041 17.767 19.000 -0.319 0.000 0.831 419 A HN 0.682 nan 8.150 nan 0.000 0.450 420 N N -1.158 117.354 118.700 -0.313 0.000 2.120 420 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 420 N C 1.884 177.269 175.510 -0.209 0.000 1.024 420 N CA 1.587 54.417 53.050 -0.365 0.000 0.852 420 N CB -0.212 37.973 38.487 -0.503 0.000 1.003 420 N HN 0.513 nan 8.380 nan 0.000 0.424 421 R N 1.025 121.432 120.500 -0.154 0.000 2.081 421 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 421 R C 1.583 177.841 176.300 -0.070 0.000 1.131 421 R CA 1.150 57.199 56.100 -0.085 0.000 0.960 421 R CB -0.774 29.484 30.300 -0.071 0.000 0.856 421 R HN 0.057 nan 8.270 nan 0.000 0.436 422 V N 0.900 120.748 119.914 -0.110 0.000 2.307 422 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 422 V C 2.393 178.440 176.094 -0.078 0.000 1.045 422 V CA 1.781 64.032 62.300 -0.081 0.000 1.024 422 V CB -1.001 30.702 31.823 -0.200 0.000 0.651 422 V HN 0.553 nan 8.190 nan 0.000 0.449 423 A N -0.097 122.626 122.820 -0.162 0.000 1.903 423 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 423 A C 2.207 179.755 177.584 -0.059 0.000 1.191 423 A CA 2.560 54.505 52.037 -0.153 0.000 0.638 423 A CB -0.650 18.209 19.000 -0.235 0.000 0.823 423 A HN 0.475 nan 8.150 nan 0.000 0.451 424 L N -0.201 120.998 121.223 -0.041 0.000 2.023 424 L HA -0.123 4.216 4.340 -0.000 0.000 0.205 424 L C 2.403 179.293 176.870 0.033 0.000 1.073 424 L CA 2.349 57.199 54.840 0.017 0.000 0.745 424 L CB -0.606 41.474 42.059 0.034 0.000 0.900 424 L HN 0.509 nan 8.230 nan 0.000 0.435 425 E N 0.051 120.271 120.200 0.033 0.000 2.097 425 E HA -0.306 4.043 4.350 -0.000 0.000 0.196 425 E C 2.103 178.747 176.600 0.073 0.000 1.000 425 E CA 1.224 57.657 56.400 0.056 0.000 0.804 425 E CB -0.450 29.291 29.700 0.068 0.000 0.740 425 E HN 0.680 nan 8.360 nan 0.000 0.454 426 A N 1.533 124.406 122.820 0.088 0.000 1.849 426 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 426 A C 2.600 180.230 177.584 0.077 0.000 1.202 426 A CA 1.802 53.906 52.037 0.112 0.000 0.629 426 A CB -1.209 17.856 19.000 0.107 0.000 0.834 426 A HN 0.407 nan 8.150 nan 0.000 0.447 427 C N -1.413 117.921 119.300 0.058 0.000 2.413 427 C HA -0.077 4.382 4.460 -0.000 0.000 0.276 427 C C 2.760 177.784 174.990 0.058 0.000 1.248 427 C CA 1.052 60.104 59.018 0.058 0.000 1.742 427 C CB -1.419 26.357 27.740 0.059 0.000 2.017 427 C HN 0.466 nan 8.230 nan 0.000 0.481 428 V N 1.036 120.984 119.914 0.057 0.000 2.343 428 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 428 V C 2.513 178.636 176.094 0.048 0.000 1.051 428 V CA 2.354 64.686 62.300 0.053 0.000 1.036 428 V CB -0.579 31.276 31.823 0.052 0.000 0.654 428 V HN 0.614 nan 8.190 nan 0.000 0.451 429 K N 0.245 120.674 120.400 0.048 0.000 2.097 429 K HA -0.096 4.223 4.320 -0.000 0.000 0.205 429 K C 2.123 178.744 176.600 0.035 0.000 1.050 429 K CA 1.383 57.693 56.287 0.038 0.000 0.938 429 K CB -0.364 32.156 32.500 0.034 0.000 0.718 429 K HN 0.395 nan 8.250 nan 0.000 0.442 430 A N 1.699 124.545 122.820 0.044 0.000 1.865 430 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 430 A C 2.214 179.820 177.584 0.037 0.000 1.191 430 A CA 1.765 53.828 52.037 0.042 0.000 0.623 430 A CB -0.738 18.292 19.000 0.051 0.000 0.826 430 A HN 0.411 nan 8.150 nan 0.000 0.444 431 R N -0.301 120.223 120.500 0.041 0.000 2.097 431 R HA -0.213 4.126 4.340 -0.000 0.000 0.236 431 R C 1.888 178.207 176.300 0.032 0.000 1.135 431 R CA 2.112 58.235 56.100 0.038 0.000 0.934 431 R CB -0.468 29.858 30.300 0.043 0.000 0.846 431 R HN 0.575 nan 8.270 nan 0.000 0.431 432 N N 0.973 119.692 118.700 0.032 0.000 2.149 432 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 432 N C 1.357 176.880 175.510 0.021 0.000 1.019 432 N CA 1.460 54.526 53.050 0.026 0.000 0.857 432 N CB -0.323 38.180 38.487 0.027 0.000 0.997 432 N HN 0.395 nan 8.380 nan 0.000 0.426 433 E N -0.394 119.818 120.200 0.020 0.000 2.472 433 E HA 0.023 4.372 4.350 -0.000 0.000 0.200 433 E C 0.946 177.555 176.600 0.016 0.000 1.046 433 E CA 0.784 57.193 56.400 0.015 0.000 0.871 433 E CB -0.144 29.564 29.700 0.013 0.000 0.806 433 E HN 0.461 nan 8.360 nan 0.000 0.533 434 G N 1.715 110.527 108.800 0.020 0.000 2.148 434 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.203 434 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.203 434 G C 0.318 175.231 174.900 0.022 0.000 0.993 434 G CA -0.179 44.933 45.100 0.020 0.000 0.661 434 G HN 0.120 nan 8.290 nan 0.000 0.518 435 R N 0.149 120.664 120.500 0.026 0.000 2.840 435 R HA 0.398 4.738 4.340 -0.000 0.000 0.282 435 R C -0.508 175.810 176.300 0.031 0.000 1.133 435 R CA 0.175 56.293 56.100 0.030 0.000 1.208 435 R CB 0.292 30.613 30.300 0.035 0.000 1.160 435 R HN 0.234 nan 8.270 nan 0.000 0.576 436 D N 1.203 121.622 120.400 0.032 0.000 2.464 436 D HA 0.058 4.697 4.640 -0.000 0.000 0.243 436 D C 1.083 177.406 176.300 0.038 0.000 1.104 436 D CA -0.492 53.527 54.000 0.031 0.000 0.883 436 D CB 0.724 41.539 40.800 0.026 0.000 1.050 436 D HN 0.174 nan 8.370 nan 0.000 0.524 437 L N 2.855 124.102 121.223 0.041 0.000 2.089 437 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 437 L C 2.279 179.179 176.870 0.050 0.000 1.079 437 L CA 1.949 56.820 54.840 0.051 0.000 0.758 437 L CB -1.873 40.217 42.059 0.053 0.000 0.891 437 L HN 0.519 nan 8.230 nan 0.000 0.433 438 A N -0.835 122.008 122.820 0.037 0.000 1.832 438 A HA -0.199 4.120 4.320 -0.000 0.000 0.214 438 A C 2.248 179.854 177.584 0.037 0.000 1.200 438 A CA 1.386 53.443 52.037 0.034 0.000 0.610 438 A CB -0.425 18.587 19.000 0.021 0.000 0.842 438 A HN 0.485 nan 8.150 nan 0.000 0.444 439 Q N -0.551 119.268 119.800 0.032 0.000 1.941 439 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 439 Q C 1.864 177.889 176.000 0.041 0.000 0.982 439 Q CA 1.424 57.246 55.803 0.032 0.000 0.839 439 Q CB -0.284 28.470 28.738 0.026 0.000 0.904 439 Q HN 0.692 nan 8.270 nan 0.000 0.427 440 E N 0.592 120.818 120.200 0.043 0.000 2.510 440 E HA -0.129 4.221 4.350 -0.000 0.000 0.202 440 E C 1.596 178.236 176.600 0.068 0.000 1.072 440 E CA 0.157 56.588 56.400 0.051 0.000 0.883 440 E CB -0.264 29.464 29.700 0.046 0.000 0.818 440 E HN 0.446 nan 8.360 nan 0.000 0.548 441 G N 2.421 111.264 108.800 0.072 0.000 2.896 441 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.225 441 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.225 441 G C 1.265 176.239 174.900 0.123 0.000 1.265 441 G CA 1.055 46.212 45.100 0.094 0.000 0.778 441 G HN 0.322 nan 8.290 nan 0.000 0.714 442 N N 0.292 119.080 118.700 0.146 0.000 2.242 442 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 442 N C 2.176 177.814 175.510 0.214 0.000 1.000 442 N CA 1.830 55.003 53.050 0.206 0.000 0.885 442 N CB -0.087 38.479 38.487 0.132 0.000 0.988 442 N HN 0.411 nan 8.380 nan 0.000 0.444 443 E N 0.690 120.974 120.200 0.140 0.000 2.051 443 E HA 0.061 4.410 4.350 -0.000 0.000 0.189 443 E C 2.096 178.770 176.600 0.124 0.000 0.979 443 E CA 0.354 56.831 56.400 0.127 0.000 0.803 443 E CB -0.182 29.571 29.700 0.089 0.000 0.761 443 E HN 0.332 nan 8.360 nan 0.000 0.451 444 I N 0.945 121.577 120.570 0.104 0.000 2.091 444 I HA -0.359 3.811 4.170 -0.000 0.000 0.240 444 I C 2.504 178.661 176.117 0.066 0.000 1.046 444 I CA 1.848 63.200 61.300 0.088 0.000 1.306 444 I CB -0.851 37.196 38.000 0.077 0.000 1.018 444 I HN 0.240 nan 8.210 nan 0.000 0.404 445 I N 0.153 120.746 120.570 0.038 0.000 2.353 445 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 445 I C 2.653 178.695 176.117 -0.124 0.000 1.119 445 I CA 1.340 62.574 61.300 -0.111 0.000 1.417 445 I CB -0.533 37.324 38.000 -0.237 0.000 1.078 445 I HN 0.004 nan 8.210 nan 0.000 0.421 446 R N 1.142 121.676 120.500 0.057 0.000 2.133 446 R HA -0.230 4.109 4.340 -0.000 0.000 0.247 446 R C 2.160 178.522 176.300 0.103 0.000 1.151 446 R CA 2.214 58.419 56.100 0.175 0.000 0.971 446 R CB -0.406 30.056 30.300 0.271 0.000 0.866 446 R HN 0.608 nan 8.270 nan 0.000 0.447 447 E N -0.695 119.567 120.200 0.103 0.000 2.047 447 E HA -0.163 4.186 4.350 -0.000 0.000 0.191 447 E C 1.947 178.663 176.600 0.194 0.000 0.987 447 E CA 1.215 57.696 56.400 0.135 0.000 0.799 447 E CB -0.145 29.639 29.700 0.140 0.000 0.752 447 E HN 0.524 nan 8.360 nan 0.000 0.449 448 A N 0.669 123.574 122.820 0.141 0.000 1.968 448 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 448 A C 2.401 179.741 177.584 -0.408 0.000 1.169 448 A CA 0.820 52.861 52.037 0.006 0.000 0.638 448 A CB -0.634 18.373 19.000 0.012 0.000 0.812 448 A HN 0.354 nan 8.150 nan 0.000 0.446 449 c N 0.033 118.488 118.600 -0.242 0.000 2.413 449 c HA -0.125 4.444 4.570 -0.000 0.000 0.276 449 c C 2.636 176.617 174.090 -0.183 0.000 1.248 449 c CA 1.185 57.356 56.329 -0.264 0.000 1.742 449 c CB -1.062 41.340 42.510 -0.180 0.000 2.017 449 c HN 0.594 nan 8.230 nan 0.000 0.481 450 K N 0.646 121.017 120.400 -0.047 0.000 2.044 450 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 450 K C 2.007 178.657 176.600 0.083 0.000 1.049 450 K CA 2.055 58.369 56.287 0.045 0.000 0.927 450 K CB -0.462 32.104 32.500 0.110 0.000 0.713 450 K HN 0.883 nan 8.250 nan 0.000 0.443 451 W N 0.717 122.015 121.300 -0.003 0.000 2.905 451 W HA 0.189 4.850 4.660 0.001 0.000 0.251 451 W C 0.102 176.623 176.519 0.003 0.000 1.305 451 W CA -0.116 57.230 57.345 0.002 0.000 1.465 451 W CB -0.117 29.342 29.460 -0.001 0.000 1.122 451 W HN -0.162 nan 8.180 nan 0.000 0.659 452 S N 2.644 117.971 115.700 -0.622 0.000 2.566 452 S HA 0.353 4.823 4.470 -0.000 0.000 0.324 452 S C -1.337 173.090 174.600 -0.288 0.000 1.081 452 S CA -1.508 56.327 58.200 -0.609 0.000 1.105 452 S CB 1.557 64.136 63.200 -1.035 0.000 0.981 452 S HN -0.293 nan 8.310 nan 0.000 0.464 453 P HA -0.103 nan 4.420 nan 0.000 0.215 453 P C 0.805 178.027 177.300 -0.130 0.000 1.157 453 P CA 1.280 64.422 63.100 0.070 0.000 0.868 453 P CB 0.203 32.077 31.700 0.289 0.000 0.788 454 E N -0.401 119.686 120.200 -0.189 0.000 2.046 454 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 454 E C 1.933 178.313 176.600 -0.368 0.000 0.982 454 E CA 0.543 56.678 56.400 -0.442 0.000 0.800 454 E CB -1.637 27.874 29.700 -0.315 0.000 0.756 454 E HN 0.082 nan 8.360 nan 0.000 0.449 455 L N 1.061 122.064 121.223 -0.366 0.000 2.043 455 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 455 L C 2.031 178.707 176.870 -0.324 0.000 1.075 455 L CA 2.209 56.827 54.840 -0.371 0.000 0.752 455 L CB -1.162 40.612 42.059 -0.475 0.000 0.891 455 L HN 0.114 nan 8.230 nan 0.000 0.432 456 A N -0.129 122.513 122.820 -0.297 0.000 1.849 456 A HA -0.216 4.103 4.320 -0.000 0.000 0.217 456 A C 2.526 179.968 177.584 -0.236 0.000 1.202 456 A CA 2.729 54.638 52.037 -0.214 0.000 0.629 456 A CB -1.532 17.386 19.000 -0.137 0.000 0.834 456 A HN 0.662 nan 8.150 nan 0.000 0.447 457 A N -0.419 122.189 122.820 -0.354 0.000 1.971 457 A HA -0.053 4.267 4.320 -0.000 0.000 0.222 457 A C 2.500 179.759 177.584 -0.541 0.000 1.182 457 A CA 2.967 54.681 52.037 -0.538 0.000 0.649 457 A CB -1.193 17.119 19.000 -1.147 0.000 0.818 457 A HN 1.274 nan 8.150 nan 0.000 0.458 458 A N -0.851 121.751 122.820 -0.363 0.000 1.835 458 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 458 A C 2.345 179.849 177.584 -0.134 0.000 1.199 458 A CA 1.668 53.594 52.037 -0.185 0.000 0.615 458 A CB -1.517 17.506 19.000 0.037 0.000 0.838 458 A HN 0.732 nan 8.150 nan 0.000 0.444 459 c N -0.403 118.115 118.600 -0.136 0.000 2.375 459 c HA -0.176 4.394 4.570 -0.000 0.000 0.274 459 c C 2.686 177.007 174.090 0.385 0.000 1.190 459 c CA 1.355 57.733 56.329 0.081 0.000 1.775 459 c CB -1.431 41.101 42.510 0.036 0.000 2.067 459 c HN 0.607 nan 8.230 nan 0.000 0.463 460 E N 0.547 120.780 120.200 0.054 0.000 2.058 460 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 460 E C 2.307 178.837 176.600 -0.117 0.000 0.997 460 E CA 1.233 57.621 56.400 -0.020 0.000 0.801 460 E CB -0.616 29.032 29.700 -0.086 0.000 0.746 460 E HN 0.582 nan 8.360 nan 0.000 0.450 461 V N -0.146 119.589 119.914 -0.299 0.000 2.295 461 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 461 V C 1.739 177.532 176.094 -0.500 0.000 1.049 461 V CA 1.496 63.453 62.300 -0.572 0.000 1.024 461 V CB -0.390 30.734 31.823 -1.166 0.000 0.648 461 V HN 0.345 nan 8.190 nan 0.000 0.447 462 W N 0.093 121.358 121.300 -0.060 0.000 3.239 462 W HA 0.316 4.975 4.660 -0.001 0.000 0.368 462 W C 1.886 178.280 176.519 -0.209 0.000 1.154 462 W CA -0.722 56.483 57.345 -0.233 0.000 1.860 462 W CB -0.343 28.783 29.460 -0.556 0.000 1.094 462 W HN 0.317 nan 8.180 nan 0.000 0.643 463 K N 1.348 121.776 120.400 0.046 0.000 2.000 463 K HA -0.236 4.083 4.320 -0.000 0.000 0.218 463 K C 1.320 177.674 176.600 -0.410 0.000 1.053 463 K CA 1.942 57.972 56.287 -0.429 0.000 0.946 463 K CB 0.128 32.456 32.500 -0.286 0.000 0.723 463 K HN -0.202 nan 8.250 nan 0.000 0.446 464 E N 0.733 120.793 120.200 -0.233 0.000 2.516 464 E HA -0.033 4.317 4.350 -0.000 0.000 0.199 464 E C 0.068 176.596 176.600 -0.121 0.000 1.069 464 E CA 0.356 56.648 56.400 -0.181 0.000 0.876 464 E CB -0.160 29.462 29.700 -0.130 0.000 0.843 464 E HN 0.321 nan 8.360 nan 0.000 0.530 465 I N 1.278 121.816 120.570 -0.055 0.000 2.365 465 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 465 I C 0.595 176.721 176.117 0.014 0.000 1.004 465 I CA -0.799 60.501 61.300 -0.001 0.000 1.311 465 I CB 0.722 38.848 38.000 0.210 0.000 1.401 465 I HN -0.275 nan 8.210 nan 0.000 0.491 466 V N 4.273 124.056 119.914 -0.218 0.000 3.188 466 V HA 0.605 4.725 4.120 -0.000 0.000 0.305 466 V C -1.621 174.235 176.094 -0.396 0.000 1.232 466 V CA -0.723 61.494 62.300 -0.137 0.000 1.043 466 V CB 2.624 34.418 31.823 -0.048 0.000 1.068 466 V HN 0.451 nan 8.190 nan 0.000 0.439 467 F N 2.207 122.282 119.950 0.207 0.000 2.597 467 F HA 0.503 5.030 4.527 -0.001 0.000 0.336 467 F C 0.281 176.238 175.800 0.263 0.000 1.432 467 F CA -0.552 57.620 58.000 0.287 0.000 1.120 467 F CB 0.310 39.503 39.000 0.321 0.000 1.253 467 F HN 0.672 nan 8.300 nan 0.000 0.546 468 N N 1.732 120.492 118.700 0.099 0.000 2.458 468 N HA 0.520 5.260 4.740 -0.000 0.000 0.270 468 N C -1.408 174.013 175.510 -0.148 0.000 1.102 468 N CA 0.132 53.219 53.050 0.061 0.000 0.967 468 N CB 0.401 38.886 38.487 -0.003 0.000 1.078 468 N HN 0.075 nan 8.380 nan 0.000 0.471 469 F N 0.847 120.854 119.950 0.094 0.000 2.639 469 F HA 0.403 4.930 4.527 -0.000 0.000 0.320 469 F C -0.103 175.737 175.800 0.065 0.000 1.128 469 F CA -1.437 56.609 58.000 0.077 0.000 1.037 469 F CB 0.837 39.887 39.000 0.084 0.000 1.288 469 F HN 0.471 nan 8.300 nan 0.000 0.463 470 A N 2.351 125.315 122.820 0.241 0.000 2.513 470 A HA 0.533 4.853 4.320 -0.000 0.000 0.274 470 A C 0.644 178.312 177.584 0.139 0.000 1.115 470 A CA 0.296 52.424 52.037 0.152 0.000 0.792 470 A CB -0.794 18.274 19.000 0.114 0.000 1.053 470 A HN 1.135 nan 8.150 nan 0.000 0.515 471 A N 2.990 125.881 122.820 0.119 0.000 2.507 471 A HA 0.406 4.726 4.320 -0.000 0.000 0.235 471 A C 1.131 178.761 177.584 0.077 0.000 1.070 471 A CA 0.322 52.415 52.037 0.095 0.000 0.768 471 A CB 0.133 19.188 19.000 0.092 0.000 1.011 471 A HN 1.015 nan 8.150 nan 0.000 0.502 472 V N 1.253 121.208 119.914 0.068 0.000 3.608 472 V HA 0.565 4.685 4.120 -0.000 0.000 0.203 472 V C 1.032 177.176 176.094 0.083 0.000 1.154 472 V CA 1.460 63.799 62.300 0.065 0.000 1.386 472 V CB -0.654 31.196 31.823 0.046 0.000 1.486 472 V HN 1.305 nan 8.190 nan 0.000 0.491 473 D N 0.000 120.455 120.400 0.092 0.000 6.856 473 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 473 D CA 0.000 nan 54.000 nan 0.000 0.868 473 D CB 0.000 nan 40.800 nan 0.000 0.688 473 D HN 0.000 nan 8.370 nan 0.000 0.683