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 2vw0_1_A DATA FIRST_RESID 40 DATA SEQUENCE SPIFQGGSYQ LNNKSIDISS LLLDKLSGES QTVVMKFKAD KPNSLQALFG DATA SEQUENCE LSNSKAGFKN NYFSIFMRDS GEIGVEIRDA QKGINYLFSR PASLWGKHKG DATA SEQUENCE QAVENTLVFV SDSKDKTYTM YVNGIEVFSE TVDTFLPISN INGIDKATLG DATA SEQUENCE AVNREGKEHY LAKGSIDEIS LFNKAISDQE VSTIPLSNPF QLIFQSGDST DATA SEQUENCE QANYFRIPTL YTLSSGRVLS SIDARYGGTH DSKSKINIAT SYSDDNGKTW DATA SEQUENCE SEPIFAMKFN DYEEQLVYWP RDNKLKNSQI SGSASFIDSS IVEDKKSGKT DATA SEQUENCE ILLADVMPAG IGNNNANKAD SGFKEINGHY YLKLKKNGDN DFRYTVRENG DATA SEQUENCE VVYNETTNKP TNYTINDKYE VLEGGKSLTV EQYSVDFDSG SLRERHNGKQ DATA SEQUENCE VPMNVFYKDS LFKVTPTNYI AMTTSQNRGE SWEQFKLLPP FLGEKHNGTY DATA SEQUENCE LCPGQGLALK SSNRLIFATY TSGELTYLIS DDSGQTWKKS SASIPFKNAT DATA SEQUENCE AEAQMVELRD GVIRTFFRTT TGKIAYMTSR DSGETWSKVS YIDGIQQTSY DATA SEQUENCE GTQVSAIKYS QLIDGKEAVI LSTPNSRSGR KGGQLVVGLV NKEDDSIDWK DATA SEQUENCE YHYDIDLPSY GYAYSAITEL PNHHIGVLFE KYDSWSRNEL HLSNVVQYID DATA SEQUENCE LEINDLT 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 40 S HA 0.000 nan 4.470 nan 0.000 0.327 40 S C 0.000 174.705 174.600 0.175 0.000 1.055 40 S CA 0.000 58.317 58.200 0.194 0.000 1.107 40 S CB 0.000 63.362 63.200 0.270 0.000 0.593 41 P HA 0.502 nan 4.420 nan 0.000 0.278 41 P C 1.011 178.185 177.300 -0.211 0.000 1.238 41 P CA -0.668 62.134 63.100 -0.497 0.000 0.794 41 P CB 0.486 31.837 31.700 -0.580 0.000 0.955 42 I N -1.659 118.802 120.570 -0.183 0.000 3.419 42 I HA 0.369 4.539 4.170 -0.001 0.000 0.286 42 I C -0.168 176.007 176.117 0.098 0.000 1.268 42 I CA 0.576 61.869 61.300 -0.011 0.000 1.414 42 I CB -0.019 37.998 38.000 0.029 0.000 1.074 42 I HN 0.102 nan 8.210 nan 0.000 0.457 43 F N 1.575 121.444 119.950 -0.135 0.000 2.654 43 F HA 0.536 5.063 4.527 -0.001 0.000 0.314 43 F C -1.450 174.298 175.800 -0.087 0.000 1.116 43 F CA -0.550 57.411 58.000 -0.066 0.000 1.017 43 F CB 1.402 40.395 39.000 -0.013 0.000 1.285 43 F HN 0.052 nan 8.300 nan 0.000 0.448 44 Q N 3.878 123.128 119.800 -0.916 0.000 2.268 44 Q HA 0.686 5.026 4.340 -0.001 0.000 0.266 44 Q C -1.512 174.003 176.000 -0.810 0.000 1.006 44 Q CA -0.694 54.695 55.803 -0.690 0.000 0.824 44 Q CB 2.313 30.862 28.738 -0.314 0.000 1.306 44 Q HN 1.107 nan 8.270 nan 0.000 0.424 45 G N 0.737 109.223 108.800 -0.523 0.000 2.694 45 G HA2 0.875 4.834 3.960 -0.001 0.000 0.290 45 G HA3 0.875 4.834 3.960 -0.001 0.000 0.290 45 G C -1.133 173.730 174.900 -0.061 0.000 1.386 45 G CA -0.300 44.690 45.100 -0.183 0.000 0.872 45 G HN 0.738 nan 8.290 nan 0.000 0.475 46 G N -1.338 107.255 108.800 -0.345 0.000 2.645 46 G HA2 0.616 4.576 3.960 -0.001 0.000 0.292 46 G HA3 0.616 4.576 3.960 -0.001 0.000 0.292 46 G C 0.176 174.756 174.900 -0.533 0.000 1.415 46 G CA 0.655 45.567 45.100 -0.313 0.000 0.785 46 G HN 2.063 nan 8.290 nan 0.000 0.483 47 S N -1.373 114.188 115.700 -0.232 0.000 3.229 47 S HA -0.241 4.229 4.470 -0.001 0.000 0.319 47 S C -0.368 174.116 174.600 -0.194 0.000 0.897 47 S CA 0.923 59.037 58.200 -0.144 0.000 1.333 47 S CB -2.066 61.080 63.200 -0.091 0.000 0.914 47 S HN 0.728 nan 8.310 nan 0.000 0.498 48 Y N 0.498 120.852 120.300 0.090 0.000 2.330 48 Y HA 0.529 5.079 4.550 -0.001 0.000 0.336 48 Y C 0.875 176.832 175.900 0.095 0.000 1.036 48 Y CA -1.005 57.153 58.100 0.096 0.000 1.125 48 Y CB 0.990 39.521 38.460 0.118 0.000 1.194 48 Y HN 0.377 nan 8.280 nan 0.000 0.469 49 Q N 4.293 124.234 119.800 0.235 0.000 2.307 49 Q HA 0.421 4.760 4.340 -0.001 0.000 0.262 49 Q C -1.132 174.958 176.000 0.149 0.000 0.961 49 Q CA -0.544 55.358 55.803 0.164 0.000 0.882 49 Q CB 2.131 30.938 28.738 0.114 0.000 1.264 49 Q HN 0.717 nan 8.270 nan 0.000 0.446 50 L N 3.145 124.449 121.223 0.136 0.000 2.272 50 L HA 0.419 4.758 4.340 -0.001 0.000 0.284 50 L C -0.386 176.535 176.870 0.086 0.000 1.045 50 L CA -0.509 54.395 54.840 0.106 0.000 0.842 50 L CB 0.149 42.272 42.059 0.107 0.000 1.224 50 L HN 0.402 nan 8.230 nan 0.000 0.430 51 N N 2.868 121.610 118.700 0.070 0.000 2.918 51 N HA 0.215 4.955 4.740 -0.001 0.000 0.270 51 N C -0.411 175.123 175.510 0.041 0.000 1.536 51 N CA -0.627 52.456 53.050 0.055 0.000 0.877 51 N CB 0.423 38.941 38.487 0.051 0.000 1.190 51 N HN 0.496 nan 8.380 nan 0.000 0.492 52 N N 0.638 119.361 118.700 0.039 0.000 2.721 52 N HA -0.274 4.466 4.740 -0.001 0.000 0.249 52 N C -0.888 174.632 175.510 0.016 0.000 1.072 52 N CA 0.873 53.937 53.050 0.024 0.000 0.710 52 N CB -0.407 38.089 38.487 0.015 0.000 0.993 52 N HN 0.509 nan 8.380 nan 0.000 0.547 53 K N 0.709 121.123 120.400 0.023 0.000 2.588 53 K HA 0.282 4.602 4.320 -0.001 0.000 0.250 53 K C -0.508 176.105 176.600 0.021 0.000 0.972 53 K CA -0.586 55.711 56.287 0.017 0.000 0.821 53 K CB 1.140 33.653 32.500 0.022 0.000 1.249 53 K HN 0.142 nan 8.250 nan 0.000 0.442 54 S N 3.793 119.497 115.700 0.007 0.000 2.585 54 S HA 0.366 4.835 4.470 -0.001 0.000 0.273 54 S C 0.365 174.965 174.600 0.001 0.000 1.339 54 S CA -0.559 57.640 58.200 -0.002 0.000 1.028 54 S CB 0.518 63.706 63.200 -0.019 0.000 0.906 54 S HN 0.500 nan 8.310 nan 0.000 0.528 55 I N 1.717 122.278 120.570 -0.015 0.000 2.354 55 I HA 0.263 4.433 4.170 -0.001 0.000 0.292 55 I C 0.082 176.170 176.117 -0.047 0.000 0.989 55 I CA -0.525 60.765 61.300 -0.016 0.000 1.188 55 I CB 1.358 39.345 38.000 -0.023 0.000 1.342 55 I HN 0.689 nan 8.210 nan 0.000 0.457 56 D N 7.312 127.698 120.400 -0.023 0.000 2.264 56 D HA 0.286 4.926 4.640 -0.001 0.000 0.250 56 D C 0.282 176.568 176.300 -0.024 0.000 1.113 56 D CA -0.131 53.848 54.000 -0.034 0.000 0.871 56 D CB 1.395 42.183 40.800 -0.020 0.000 1.167 56 D HN 0.577 nan 8.370 nan 0.000 0.447 57 I N 0.363 120.898 120.570 -0.058 0.000 3.813 57 I HA 0.145 4.315 4.170 -0.001 0.000 0.323 57 I C 1.161 177.217 176.117 -0.101 0.000 1.536 57 I CA -0.565 60.700 61.300 -0.059 0.000 1.083 57 I CB 0.547 38.484 38.000 -0.105 0.000 1.265 57 I HN -0.009 nan 8.210 nan 0.000 0.507 58 S N 1.843 117.499 115.700 -0.073 0.000 2.365 58 S HA -0.211 4.259 4.470 -0.001 0.000 0.225 58 S C 2.060 176.629 174.600 -0.050 0.000 1.039 58 S CA 2.266 60.424 58.200 -0.070 0.000 1.033 58 S CB -0.335 62.835 63.200 -0.050 0.000 0.887 58 S HN 0.809 nan 8.310 nan 0.000 0.447 59 S N 0.692 116.380 115.700 -0.019 0.000 2.607 59 S HA 0.205 4.674 4.470 -0.001 0.000 0.224 59 S C 1.414 176.028 174.600 0.023 0.000 0.969 59 S CA 0.212 58.414 58.200 0.004 0.000 0.927 59 S CB -0.365 62.846 63.200 0.018 0.000 0.772 59 S HN 0.416 nan 8.310 nan 0.000 0.533 60 L N -0.739 120.490 121.223 0.010 0.000 2.388 60 L HA 0.376 4.716 4.340 -0.001 0.000 0.209 60 L C 2.119 178.980 176.870 -0.014 0.000 1.061 60 L CA 0.268 55.150 54.840 0.070 0.000 0.834 60 L CB -0.128 42.060 42.059 0.215 0.000 1.029 60 L HN 0.321 nan 8.230 nan 0.000 0.473 61 L N -0.948 120.161 121.223 -0.190 0.000 2.433 61 L HA 0.156 4.495 4.340 -0.001 0.000 0.200 61 L C 2.058 178.881 176.870 -0.079 0.000 1.059 61 L CA 1.165 55.864 54.840 -0.234 0.000 0.835 61 L CB -0.158 41.611 42.059 -0.484 0.000 1.076 61 L HN -0.012 nan 8.230 nan 0.000 0.481 62 L N 0.850 122.034 121.223 -0.065 0.000 2.042 62 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 62 L C 2.090 178.957 176.870 -0.006 0.000 1.076 62 L CA 1.838 56.661 54.840 -0.028 0.000 0.749 62 L CB -0.948 41.092 42.059 -0.032 0.000 0.893 62 L HN 0.511 nan 8.230 nan 0.000 0.432 63 D N -0.598 119.802 120.400 -0.001 0.000 2.348 63 D HA -0.164 4.475 4.640 -0.001 0.000 0.216 63 D C 1.527 177.840 176.300 0.021 0.000 0.970 63 D CA 0.771 54.777 54.000 0.010 0.000 0.889 63 D CB -0.118 40.690 40.800 0.013 0.000 0.912 63 D HN 0.245 nan 8.370 nan 0.000 0.524 64 K N 0.110 120.526 120.400 0.026 0.000 2.379 64 K HA 0.206 4.526 4.320 -0.001 0.000 0.194 64 K C 0.864 177.489 176.600 0.041 0.000 1.031 64 K CA -0.212 56.099 56.287 0.039 0.000 1.037 64 K CB 0.626 33.160 32.500 0.057 0.000 0.824 64 K HN 0.260 nan 8.250 nan 0.000 0.516 65 L N 2.631 123.876 121.223 0.037 0.000 2.360 65 L HA 0.058 4.397 4.340 -0.001 0.000 0.276 65 L C 0.219 177.115 176.870 0.043 0.000 1.121 65 L CA -0.077 54.791 54.840 0.046 0.000 0.845 65 L CB 0.651 42.738 42.059 0.048 0.000 1.143 65 L HN 0.068 nan 8.230 nan 0.000 0.452 66 S N 1.669 117.399 115.700 0.050 0.000 2.550 66 S HA 0.880 5.349 4.470 -0.001 0.000 0.270 66 S C -0.295 174.336 174.600 0.052 0.000 1.145 66 S CA -0.297 57.931 58.200 0.046 0.000 0.852 66 S CB 1.824 65.048 63.200 0.039 0.000 1.119 66 S HN 1.194 nan 8.310 nan 0.000 0.465 67 G N 1.420 110.249 108.800 0.049 0.000 2.828 67 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.463 67 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.463 67 G C -0.135 174.806 174.900 0.069 0.000 1.394 67 G CA 0.088 45.219 45.100 0.051 0.000 0.862 67 G HN 0.874 nan 8.290 nan 0.000 0.540 68 E N -0.387 119.857 120.200 0.074 0.000 2.474 68 E HA 0.284 4.633 4.350 -0.001 0.000 0.195 68 E C 0.503 177.192 176.600 0.149 0.000 1.039 68 E CA 0.553 57.028 56.400 0.125 0.000 0.881 68 E CB 0.357 30.133 29.700 0.127 0.000 0.970 68 E HN 0.331 nan 8.360 nan 0.000 0.486 69 S N 0.606 116.356 115.700 0.084 0.000 2.500 69 S HA 0.496 4.965 4.470 -0.001 0.000 0.301 69 S C -0.659 173.985 174.600 0.074 0.000 1.092 69 S CA -0.721 57.516 58.200 0.063 0.000 1.030 69 S CB 1.889 65.082 63.200 -0.013 0.000 1.031 69 S HN -0.025 nan 8.310 nan 0.000 0.483 70 Q N 0.570 120.415 119.800 0.074 0.000 2.456 70 Q HA 0.696 5.035 4.340 -0.001 0.000 0.284 70 Q C -1.375 174.672 176.000 0.079 0.000 1.061 70 Q CA -0.544 55.316 55.803 0.096 0.000 0.799 70 Q CB 2.420 31.219 28.738 0.102 0.000 1.445 70 Q HN 0.597 nan 8.270 nan 0.000 0.411 71 T N 0.260 114.913 114.554 0.165 0.000 2.921 71 T HA 0.615 4.965 4.350 -0.001 0.000 0.297 71 T C -1.258 173.624 174.700 0.303 0.000 1.013 71 T CA -0.524 61.683 62.100 0.179 0.000 0.990 71 T CB 1.189 70.119 68.868 0.104 0.000 1.023 71 T HN 0.286 nan 8.240 nan 0.000 0.447 72 V N 3.461 123.543 119.914 0.280 0.000 2.459 72 V HA 0.612 4.732 4.120 -0.001 0.000 0.295 72 V C -0.340 175.901 176.094 0.245 0.000 1.029 72 V CA -0.712 61.725 62.300 0.230 0.000 0.874 72 V CB 1.846 33.762 31.823 0.155 0.000 0.985 72 V HN 0.713 nan 8.190 nan 0.000 0.438 73 V N 6.010 126.067 119.914 0.239 0.000 2.409 73 V HA 0.582 4.702 4.120 -0.001 0.000 0.291 73 V C -0.284 175.919 176.094 0.181 0.000 1.020 73 V CA -0.388 62.045 62.300 0.223 0.000 0.848 73 V CB 1.580 33.562 31.823 0.265 0.000 0.990 73 V HN 0.920 nan 8.190 nan 0.000 0.430 74 M N 5.330 125.052 119.600 0.202 0.000 2.213 74 M HA 0.545 5.025 4.480 -0.001 0.000 0.286 74 M C -1.276 175.221 176.300 0.327 0.000 1.008 74 M CA -0.492 54.949 55.300 0.235 0.000 0.937 74 M CB 1.733 34.442 32.600 0.181 0.000 1.600 74 M HN 0.490 nan 8.290 nan 0.000 0.450 75 K N 5.976 126.547 120.400 0.285 0.000 2.293 75 K HA 0.585 4.905 4.320 -0.001 0.000 0.267 75 K C -1.472 175.322 176.600 0.323 0.000 1.010 75 K CA -0.337 56.096 56.287 0.243 0.000 0.875 75 K CB 1.109 33.693 32.500 0.139 0.000 1.106 75 K HN 0.601 nan 8.250 nan 0.000 0.450 76 F N -0.360 119.667 119.950 0.128 0.000 2.613 76 F HA 0.587 5.114 4.527 -0.001 0.000 0.310 76 F C -1.215 174.669 175.800 0.139 0.000 1.085 76 F CA -1.252 56.831 58.000 0.137 0.000 0.945 76 F CB 1.460 40.547 39.000 0.145 0.000 1.298 76 F HN 0.075 nan 8.300 nan 0.000 0.455 77 K N 1.813 122.326 120.400 0.187 0.000 2.259 77 K HA 0.858 5.177 4.320 -0.001 0.000 0.252 77 K C -1.437 175.313 176.600 0.250 0.000 0.936 77 K CA -1.275 55.072 56.287 0.099 0.000 0.810 77 K CB 2.251 34.810 32.500 0.098 0.000 1.143 77 K HN 0.914 nan 8.250 nan 0.000 0.427 78 A N 2.555 125.501 122.820 0.211 0.000 2.684 78 A HA 0.174 4.494 4.320 -0.001 0.000 0.289 78 A C -0.589 177.079 177.584 0.140 0.000 1.139 78 A CA -0.714 51.460 52.037 0.229 0.000 0.793 78 A CB 0.229 19.436 19.000 0.344 0.000 1.334 78 A HN 0.851 nan 8.150 nan 0.000 0.408 79 D N 0.902 121.353 120.400 0.085 0.000 2.369 79 D HA 0.069 4.709 4.640 -0.001 0.000 0.211 79 D C 0.279 176.576 176.300 -0.004 0.000 1.077 79 D CA 0.411 54.423 54.000 0.021 0.000 0.842 79 D CB 0.228 41.044 40.800 0.026 0.000 0.947 79 D HN 0.464 nan 8.370 nan 0.000 0.509 80 K N 1.250 121.669 120.400 0.032 0.000 3.350 80 K HA 0.244 4.563 4.320 -0.001 0.000 0.181 80 K C -2.660 173.971 176.600 0.052 0.000 1.064 80 K CA -1.147 55.154 56.287 0.023 0.000 0.839 80 K CB 1.752 34.268 32.500 0.025 0.000 0.819 80 K HN 0.100 nan 8.250 nan 0.000 0.523 81 P HA 0.020 nan 4.420 nan 0.000 0.272 81 P C -0.528 176.827 177.300 0.091 0.000 1.223 81 P CA -0.022 63.145 63.100 0.112 0.000 0.784 81 P CB 0.648 32.449 31.700 0.168 0.000 0.923 82 N N -0.273 118.480 118.700 0.090 0.000 2.317 82 N HA 0.012 4.752 4.740 -0.001 0.000 0.245 82 N C 1.597 177.163 175.510 0.092 0.000 1.294 82 N CA -0.277 52.819 53.050 0.077 0.000 0.924 82 N CB 0.076 38.604 38.487 0.068 0.000 1.186 82 N HN 0.400 nan 8.380 nan 0.000 0.495 83 S N -0.355 115.391 115.700 0.078 0.000 2.356 83 S HA -0.086 4.384 4.470 -0.001 0.000 0.223 83 S C 0.232 174.889 174.600 0.095 0.000 1.032 83 S CA 1.180 59.429 58.200 0.080 0.000 1.005 83 S CB -0.179 63.056 63.200 0.059 0.000 0.867 83 S HN 0.390 nan 8.310 nan 0.000 0.449 84 L N 1.958 123.239 121.223 0.096 0.000 2.476 84 L HA 0.510 4.850 4.340 -0.001 0.000 0.269 84 L C -1.450 175.493 176.870 0.122 0.000 0.965 84 L CA -0.307 54.590 54.840 0.096 0.000 0.845 84 L CB 1.780 43.869 42.059 0.051 0.000 1.259 84 L HN 0.432 nan 8.230 nan 0.000 0.403 85 Q N 4.413 124.281 119.800 0.114 0.000 2.345 85 Q HA 0.902 5.241 4.340 -0.001 0.000 0.275 85 Q C -1.539 174.511 176.000 0.082 0.000 1.063 85 Q CA -0.942 54.934 55.803 0.121 0.000 0.819 85 Q CB 2.048 30.854 28.738 0.113 0.000 1.356 85 Q HN 0.828 nan 8.270 nan 0.000 0.418 86 A N 3.007 125.874 122.820 0.079 0.000 2.301 86 A HA 0.484 4.804 4.320 -0.001 0.000 0.298 86 A C 0.329 177.923 177.584 0.016 0.000 1.185 86 A CA -0.741 51.311 52.037 0.026 0.000 0.830 86 A CB 0.281 19.293 19.000 0.019 0.000 1.112 86 A HN 0.895 nan 8.150 nan 0.000 0.508 87 L N 1.221 122.430 121.223 -0.024 0.000 2.202 87 L HA 0.257 4.596 4.340 -0.001 0.000 0.205 87 L C 0.238 177.161 176.870 0.087 0.000 1.083 87 L CA 0.809 55.627 54.840 -0.038 0.000 0.790 87 L CB -0.062 41.860 42.059 -0.229 0.000 0.942 87 L HN 0.697 nan 8.230 nan 0.000 0.452 88 F N -0.053 119.844 119.950 -0.088 0.000 2.581 88 F HA 0.685 5.211 4.527 -0.000 0.000 0.311 88 F C -0.306 175.467 175.800 -0.045 0.000 1.113 88 F CA -0.806 57.170 58.000 -0.040 0.000 0.935 88 F CB 1.856 40.864 39.000 0.014 0.000 1.232 88 F HN -0.211 nan 8.300 nan 0.000 0.445 89 G N 5.673 114.029 108.800 -0.741 0.000 2.701 89 G HA2 0.613 4.572 3.960 -0.001 0.000 0.300 89 G HA3 0.613 4.572 3.960 -0.001 0.000 0.300 89 G C -2.321 172.219 174.900 -0.601 0.000 1.410 89 G CA -0.789 43.997 45.100 -0.524 0.000 1.014 89 G HN 0.719 nan 8.290 nan 0.000 0.509 90 L N 2.505 123.594 121.223 -0.223 0.000 2.342 90 L HA 0.601 4.941 4.340 -0.001 0.000 0.276 90 L C 0.183 177.088 176.870 0.059 0.000 0.997 90 L CA -0.738 54.066 54.840 -0.061 0.000 0.838 90 L CB 1.766 43.889 42.059 0.106 0.000 1.224 90 L HN 0.669 nan 8.230 nan 0.000 0.416 91 S N 1.148 116.852 115.700 0.006 0.000 2.599 91 S HA 0.459 4.929 4.470 -0.001 0.000 0.287 91 S C -0.752 173.860 174.600 0.020 0.000 1.105 91 S CA -0.940 57.292 58.200 0.054 0.000 0.899 91 S CB 2.263 65.455 63.200 -0.013 0.000 1.100 91 S HN 0.508 nan 8.310 nan 0.000 0.482 92 N N 1.379 120.106 118.700 0.044 0.000 2.415 92 N HA 0.173 4.912 4.740 -0.001 0.000 0.246 92 N C 0.867 176.386 175.510 0.015 0.000 1.078 92 N CA -0.114 52.933 53.050 -0.006 0.000 0.942 92 N CB 1.015 39.489 38.487 -0.022 0.000 1.140 92 N HN 0.737 nan 8.380 nan 0.000 0.501 93 S N 1.995 117.685 115.700 -0.017 0.000 2.593 93 S HA 0.126 4.595 4.470 -0.001 0.000 0.217 93 S C 0.503 175.112 174.600 0.016 0.000 0.966 93 S CA 0.048 58.241 58.200 -0.012 0.000 0.914 93 S CB 0.062 63.244 63.200 -0.030 0.000 0.776 93 S HN 0.414 nan 8.310 nan 0.000 0.523 94 K N 1.969 122.387 120.400 0.030 0.000 2.237 94 K HA 0.557 4.876 4.320 -0.001 0.000 0.270 94 K C 0.244 176.956 176.600 0.187 0.000 1.015 94 K CA -0.054 56.278 56.287 0.076 0.000 0.949 94 K CB 0.635 33.145 32.500 0.018 0.000 0.976 94 K HN 0.307 nan 8.250 nan 0.000 0.472 95 A N 1.496 124.399 122.820 0.139 0.000 2.565 95 A HA 0.323 4.642 4.320 -0.001 0.000 0.237 95 A C 1.280 178.952 177.584 0.147 0.000 1.053 95 A CA 0.921 53.024 52.037 0.110 0.000 0.755 95 A CB -0.767 18.269 19.000 0.060 0.000 0.980 95 A HN 0.951 nan 8.150 nan 0.000 0.506 96 G N 0.472 109.275 108.800 0.005 0.000 2.195 96 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.246 96 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.246 96 G C 0.085 174.684 174.900 -0.501 0.000 0.984 96 G CA 0.578 45.534 45.100 -0.240 0.000 0.633 96 G HN 0.968 nan 8.290 nan 0.000 0.525 97 F N 0.965 120.904 119.950 -0.018 0.000 2.841 97 F HA 0.301 4.828 4.527 -0.001 0.000 0.358 97 F C 1.696 177.494 175.800 -0.003 0.000 1.261 97 F CA 0.027 58.020 58.000 -0.012 0.000 1.233 97 F CB 0.571 39.566 39.000 -0.008 0.000 1.008 97 F HN 0.236 nan 8.300 nan 0.000 0.507 98 K N -1.079 119.367 120.400 0.078 0.000 2.288 98 K HA -0.029 4.290 4.320 -0.001 0.000 0.201 98 K C 0.393 177.071 176.600 0.130 0.000 1.048 98 K CA 1.259 57.571 56.287 0.041 0.000 0.956 98 K CB -0.034 32.439 32.500 -0.045 0.000 0.746 98 K HN 0.078 nan 8.250 nan 0.000 0.461 99 N N 1.396 120.157 118.700 0.101 0.000 2.327 99 N HA 0.044 4.784 4.740 -0.001 0.000 0.231 99 N C -0.972 174.545 175.510 0.010 0.000 1.130 99 N CA 0.067 53.160 53.050 0.071 0.000 0.845 99 N CB 0.372 38.846 38.487 -0.022 0.000 1.073 99 N HN 0.207 nan 8.380 nan 0.000 0.496 100 N N 1.058 119.841 118.700 0.139 0.000 2.800 100 N HA 0.194 4.933 4.740 -0.001 0.000 0.240 100 N C -1.275 174.342 175.510 0.179 0.000 1.096 100 N CA -0.475 52.633 53.050 0.096 0.000 0.877 100 N CB 0.274 38.855 38.487 0.156 0.000 1.138 100 N HN 0.225 nan 8.380 nan 0.000 0.509 101 Y N -0.949 119.364 120.300 0.021 0.000 2.656 101 Y HA 0.610 5.159 4.550 -0.001 0.000 0.334 101 Y C -1.882 174.078 175.900 0.100 0.000 1.179 101 Y CA -1.753 56.369 58.100 0.037 0.000 1.050 101 Y CB 0.798 39.252 38.460 -0.009 0.000 1.308 101 Y HN 0.077 nan 8.280 nan 0.000 0.456 102 F N 2.845 122.885 119.950 0.151 0.000 2.469 102 F HA 0.820 5.347 4.527 -0.001 0.000 0.332 102 F C -0.781 175.139 175.800 0.201 0.000 1.103 102 F CA -0.337 57.736 58.000 0.121 0.000 0.979 102 F CB 1.774 40.844 39.000 0.117 0.000 1.137 102 F HN 0.810 nan 8.300 nan 0.000 0.463 103 S N 5.847 121.131 115.700 -0.694 0.000 2.549 103 S HA 0.721 5.190 4.470 -0.001 0.000 0.280 103 S C -1.181 172.967 174.600 -0.754 0.000 1.109 103 S CA -0.851 57.003 58.200 -0.576 0.000 0.905 103 S CB 1.564 64.690 63.200 -0.123 0.000 1.081 103 S HN 0.628 nan 8.310 nan 0.000 0.477 104 I N 3.348 123.670 120.570 -0.415 0.000 2.330 104 I HA 0.488 4.657 4.170 -0.001 0.000 0.289 104 I C -0.718 175.314 176.117 -0.141 0.000 1.001 104 I CA -0.696 60.433 61.300 -0.286 0.000 1.193 104 I CB 0.718 38.633 38.000 -0.142 0.000 1.345 104 I HN 0.749 nan 8.210 nan 0.000 0.461 105 F N 6.218 126.042 119.950 -0.211 0.000 2.579 105 F HA 0.905 5.431 4.527 -0.000 0.000 0.324 105 F C -0.544 175.195 175.800 -0.101 0.000 1.058 105 F CA -1.230 56.658 58.000 -0.187 0.000 0.944 105 F CB 1.537 40.372 39.000 -0.276 0.000 1.245 105 F HN 0.360 nan 8.300 nan 0.000 0.477 106 M N 1.257 120.937 119.600 0.133 0.000 2.593 106 M HA 0.701 5.181 4.480 -0.001 0.000 0.290 106 M C -1.615 174.818 176.300 0.222 0.000 1.244 106 M CA -0.846 54.525 55.300 0.118 0.000 0.857 106 M CB 2.900 35.569 32.600 0.114 0.000 1.738 106 M HN 0.742 nan 8.290 nan 0.000 0.461 107 R N 0.532 121.146 120.500 0.189 0.000 2.832 107 R HA 0.309 4.649 4.340 -0.001 0.000 0.271 107 R C -0.184 176.228 176.300 0.187 0.000 0.996 107 R CA -0.672 55.532 56.100 0.173 0.000 0.977 107 R CB 1.485 31.876 30.300 0.152 0.000 1.168 107 R HN 0.925 nan 8.270 nan 0.000 0.482 108 D N 0.042 120.556 120.400 0.190 0.000 2.392 108 D HA -0.131 4.508 4.640 -0.001 0.000 0.228 108 D C 0.998 177.495 176.300 0.328 0.000 1.003 108 D CA 0.789 54.947 54.000 0.262 0.000 0.917 108 D CB 0.024 40.927 40.800 0.172 0.000 0.890 108 D HN 0.418 nan 8.370 nan 0.000 0.532 109 S N -1.445 114.362 115.700 0.178 0.000 2.527 109 S HA 0.295 4.765 4.470 -0.001 0.000 0.222 109 S C 1.874 176.343 174.600 -0.219 0.000 0.985 109 S CA 0.307 58.556 58.200 0.082 0.000 0.921 109 S CB -0.267 62.964 63.200 0.051 0.000 0.772 109 S HN 0.587 nan 8.310 nan 0.000 0.529 110 G N 0.905 109.510 108.800 -0.324 0.000 2.176 110 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.232 110 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.232 110 G C -0.193 174.571 174.900 -0.228 0.000 0.986 110 G CA 0.115 44.824 45.100 -0.652 0.000 0.643 110 G HN 0.736 nan 8.290 nan 0.000 0.522 111 E N 0.001 120.152 120.200 -0.082 0.000 2.383 111 E HA 0.532 4.882 4.350 -0.001 0.000 0.264 111 E C -0.361 176.228 176.600 -0.019 0.000 1.050 111 E CA -0.527 55.864 56.400 -0.015 0.000 0.896 111 E CB 0.545 30.272 29.700 0.045 0.000 0.982 111 E HN 0.346 nan 8.360 nan 0.000 0.424 112 I N 2.595 123.135 120.570 -0.050 0.000 2.689 112 I HA 0.693 4.862 4.170 -0.001 0.000 0.299 112 I C -0.323 175.615 176.117 -0.298 0.000 1.059 112 I CA -0.094 61.114 61.300 -0.154 0.000 1.055 112 I CB 2.067 40.060 38.000 -0.012 0.000 1.243 112 I HN 0.602 nan 8.210 nan 0.000 0.425 113 G N 4.703 113.042 108.800 -0.768 0.000 2.550 113 G HA2 0.596 4.555 3.960 -0.001 0.000 0.293 113 G HA3 0.596 4.555 3.960 -0.001 0.000 0.293 113 G C -1.825 172.577 174.900 -0.829 0.000 1.402 113 G CA -0.089 44.544 45.100 -0.779 0.000 0.784 113 G HN 1.057 nan 8.290 nan 0.000 0.482 114 V N -2.749 116.981 119.914 -0.307 0.000 2.914 114 V HA 0.896 5.016 4.120 -0.001 0.000 0.314 114 V C -0.711 175.400 176.094 0.030 0.000 1.084 114 V CA -1.007 61.177 62.300 -0.194 0.000 0.963 114 V CB 1.971 33.630 31.823 -0.274 0.000 1.025 114 V HN 0.797 nan 8.190 nan 0.000 0.432 115 E N 2.696 122.870 120.200 -0.042 0.000 2.212 115 E HA 0.720 5.070 4.350 -0.001 0.000 0.268 115 E C -1.411 175.138 176.600 -0.086 0.000 0.902 115 E CA -0.743 55.599 56.400 -0.097 0.000 0.779 115 E CB 2.599 32.224 29.700 -0.126 0.000 1.172 115 E HN 0.762 nan 8.360 nan 0.000 0.409 116 I N 2.343 122.857 120.570 -0.093 0.000 2.517 116 I HA 0.387 4.557 4.170 -0.001 0.000 0.280 116 I C -0.654 175.354 176.117 -0.183 0.000 1.061 116 I CA -0.554 60.743 61.300 -0.005 0.000 1.091 116 I CB 1.190 39.251 38.000 0.101 0.000 1.205 116 I HN 0.187 nan 8.210 nan 0.000 0.459 117 R N 3.743 124.084 120.500 -0.265 0.000 2.561 117 R HA 0.567 4.907 4.340 -0.001 0.000 0.297 117 R C -1.413 174.762 176.300 -0.208 0.000 0.969 117 R CA -0.844 55.061 56.100 -0.324 0.000 0.879 117 R CB 2.670 32.663 30.300 -0.511 0.000 1.178 117 R HN 0.429 nan 8.270 nan 0.000 0.445 118 D N 1.822 122.120 120.400 -0.170 0.000 2.479 118 D HA 0.217 4.857 4.640 -0.001 0.000 0.246 118 D C 0.394 176.647 176.300 -0.078 0.000 1.336 118 D CA -0.305 53.643 54.000 -0.087 0.000 0.967 118 D CB 1.945 42.706 40.800 -0.065 0.000 1.275 118 D HN 0.599 nan 8.370 nan 0.000 0.577 119 A N 3.395 126.192 122.820 -0.039 0.000 1.972 119 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 119 A C 1.770 179.335 177.584 -0.031 0.000 1.169 119 A CA 1.541 53.551 52.037 -0.045 0.000 0.635 119 A CB -0.023 18.954 19.000 -0.038 0.000 0.810 119 A HN 0.515 nan 8.150 nan 0.000 0.446 120 Q N -0.169 119.634 119.800 0.005 0.000 2.096 120 Q HA -0.000 4.340 4.340 -0.001 0.000 0.197 120 Q C 1.832 177.827 176.000 -0.009 0.000 0.964 120 Q CA 1.589 57.399 55.803 0.013 0.000 0.838 120 Q CB -0.155 28.616 28.738 0.054 0.000 0.906 120 Q HN 0.685 nan 8.270 nan 0.000 0.444 121 K N -0.784 119.602 120.400 -0.023 0.000 2.432 121 K HA 0.124 4.443 4.320 -0.001 0.000 0.196 121 K C 0.654 177.218 176.600 -0.061 0.000 1.038 121 K CA 0.587 56.853 56.287 -0.035 0.000 0.986 121 K CB 0.162 32.638 32.500 -0.040 0.000 0.782 121 K HN 0.326 nan 8.250 nan 0.000 0.485 122 G N 2.018 110.771 108.800 -0.078 0.000 2.176 122 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.252 122 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.252 122 G C -0.072 174.734 174.900 -0.157 0.000 1.024 122 G CA -0.077 44.966 45.100 -0.096 0.000 0.755 122 G HN 0.255 nan 8.290 nan 0.000 0.507 123 I N 0.690 121.125 120.570 -0.225 0.000 2.378 123 I HA 0.351 4.521 4.170 -0.001 0.000 0.291 123 I C -0.404 175.452 176.117 -0.435 0.000 0.992 123 I CA -0.790 60.260 61.300 -0.418 0.000 1.154 123 I CB 1.517 39.213 38.000 -0.507 0.000 1.315 123 I HN 0.004 nan 8.210 nan 0.000 0.448 124 N N 6.558 124.979 118.700 -0.465 0.000 2.762 124 N HA 0.231 4.971 4.740 -0.001 0.000 0.252 124 N C -1.440 173.894 175.510 -0.294 0.000 1.269 124 N CA -0.498 52.346 53.050 -0.345 0.000 0.799 124 N CB 1.131 39.483 38.487 -0.226 0.000 1.173 124 N HN 0.335 nan 8.380 nan 0.000 0.516 125 Y N 1.014 121.135 120.300 -0.297 0.000 2.308 125 Y HA 0.466 5.016 4.550 -0.000 0.000 0.329 125 Y C 0.239 175.778 175.900 -0.600 0.000 1.111 125 Y CA -0.926 56.870 58.100 -0.505 0.000 1.179 125 Y CB 1.044 39.215 38.460 -0.481 0.000 1.201 125 Y HN 0.290 nan 8.280 nan 0.000 0.483 126 L N 5.204 126.034 121.223 -0.656 0.000 2.482 126 L HA 0.608 4.948 4.340 -0.001 0.000 0.269 126 L C -2.133 174.283 176.870 -0.757 0.000 0.967 126 L CA -0.997 53.539 54.840 -0.507 0.000 0.851 126 L CB 0.537 42.441 42.059 -0.258 0.000 1.242 126 L HN 0.320 nan 8.230 nan 0.000 0.404 127 F N 3.095 122.881 119.950 -0.273 0.000 2.540 127 F HA 0.856 5.382 4.527 -0.000 0.000 0.317 127 F C 0.273 175.640 175.800 -0.723 0.000 1.104 127 F CA -0.373 57.245 58.000 -0.637 0.000 0.913 127 F CB 2.378 40.736 39.000 -1.070 0.000 1.170 127 F HN 0.562 nan 8.300 nan 0.000 0.450 128 S N 2.639 118.108 115.700 -0.386 0.000 2.588 128 S HA 0.774 5.243 4.470 -0.001 0.000 0.269 128 S C -1.495 173.142 174.600 0.060 0.000 1.157 128 S CA -1.112 57.013 58.200 -0.125 0.000 0.824 128 S CB 2.682 65.879 63.200 -0.005 0.000 1.126 128 S HN 0.773 nan 8.310 nan 0.000 0.464 129 R N 0.826 121.432 120.500 0.176 0.000 2.574 129 R HA 0.589 4.929 4.340 -0.001 0.000 0.288 129 R C -3.120 173.224 176.300 0.074 0.000 1.004 129 R CA -2.098 54.085 56.100 0.138 0.000 0.895 129 R CB 1.984 32.396 30.300 0.186 0.000 1.191 129 R HN 0.463 nan 8.270 nan 0.000 0.444 130 P HA 0.036 nan 4.420 nan 0.000 0.271 130 P C -0.773 176.523 177.300 -0.006 0.000 1.244 130 P CA 0.176 63.291 63.100 0.024 0.000 0.793 130 P CB 0.570 32.295 31.700 0.041 0.000 0.984 131 A N 0.558 123.345 122.820 -0.055 0.000 2.511 131 A HA -0.183 4.137 4.320 -0.001 0.000 0.297 131 A C 1.118 178.639 177.584 -0.105 0.000 1.476 131 A CA 1.216 53.187 52.037 -0.109 0.000 0.757 131 A CB -2.540 16.454 19.000 -0.011 0.000 1.072 131 A HN 0.394 nan 8.150 nan 0.000 0.413 132 S N -1.292 114.356 115.700 -0.086 0.000 2.524 132 S HA 0.425 4.894 4.470 -0.001 0.000 0.215 132 S C 0.557 175.164 174.600 0.012 0.000 0.986 132 S CA 0.345 58.534 58.200 -0.019 0.000 0.911 132 S CB 0.114 63.334 63.200 0.033 0.000 0.805 132 S HN 0.619 nan 8.310 nan 0.000 0.501 133 L N 0.131 121.314 121.223 -0.067 0.000 2.323 133 L HA 0.584 4.923 4.340 -0.001 0.000 0.265 133 L C -1.166 175.749 176.870 0.075 0.000 1.012 133 L CA -0.883 53.994 54.840 0.062 0.000 0.820 133 L CB 1.494 43.626 42.059 0.121 0.000 1.334 133 L HN 0.242 nan 8.230 nan 0.000 0.427 134 W N -0.079 121.330 121.300 0.182 0.000 2.516 134 W HA 0.575 5.235 4.660 -0.001 0.000 0.343 134 W C 0.822 177.529 176.519 0.313 0.000 1.094 134 W CA -0.020 57.489 57.345 0.273 0.000 1.250 134 W CB 1.734 31.303 29.460 0.182 0.000 1.308 134 W HN 0.582 nan 8.180 nan 0.000 0.588 135 G N 1.008 110.092 108.800 0.474 0.000 2.797 135 G HA2 0.227 4.186 3.960 -0.001 0.000 0.211 135 G HA3 0.227 4.186 3.960 -0.001 0.000 0.211 135 G C -0.359 174.650 174.900 0.183 0.000 1.236 135 G CA -0.054 45.133 45.100 0.145 0.000 0.833 135 G HN 0.272 nan 8.290 nan 0.000 0.624 136 K N -0.443 120.092 120.400 0.226 0.000 2.477 136 K HA 0.561 4.880 4.320 -0.001 0.000 0.255 136 K C -2.010 174.835 176.600 0.407 0.000 0.952 136 K CA -0.781 55.645 56.287 0.232 0.000 0.826 136 K CB 2.548 35.104 32.500 0.094 0.000 1.331 136 K HN 0.317 nan 8.250 nan 0.000 0.437 137 H N 1.564 120.755 119.070 0.202 0.000 3.096 137 H HA 0.233 4.789 4.556 -0.001 0.000 0.335 137 H C -1.380 174.047 175.328 0.166 0.000 0.990 137 H CA -0.701 55.477 56.048 0.215 0.000 1.393 137 H CB 0.684 30.500 29.762 0.090 0.000 1.742 137 H HN 0.597 nan 8.280 nan 0.000 0.501 138 K N 3.919 124.310 120.400 -0.015 0.000 3.162 138 K HA -0.179 4.141 4.320 -0.001 0.000 0.268 138 K C 0.810 177.434 176.600 0.040 0.000 1.062 138 K CA 0.846 57.118 56.287 -0.026 0.000 0.769 138 K CB -1.634 30.719 32.500 -0.246 0.000 1.274 138 K HN 1.197 nan 8.250 nan 0.000 0.478 139 G N -0.192 108.660 108.800 0.087 0.000 2.166 139 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.260 139 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.260 139 G C -0.153 174.772 174.900 0.041 0.000 0.986 139 G CA 0.958 46.088 45.100 0.051 0.000 0.683 139 G HN 0.461 nan 8.290 nan 0.000 0.527 140 Q N -0.736 119.098 119.800 0.057 0.000 2.372 140 Q HA 0.661 5.000 4.340 -0.001 0.000 0.273 140 Q C 0.069 176.119 176.000 0.085 0.000 1.078 140 Q CA -0.417 55.420 55.803 0.058 0.000 0.806 140 Q CB 2.155 30.920 28.738 0.045 0.000 1.332 140 Q HN 0.782 nan 8.270 nan 0.000 0.435 141 A N 1.880 124.743 122.820 0.072 0.000 2.524 141 A HA 0.234 4.554 4.320 -0.001 0.000 0.250 141 A C 0.099 177.736 177.584 0.089 0.000 1.078 141 A CA -0.149 51.938 52.037 0.083 0.000 0.761 141 A CB 0.038 19.081 19.000 0.070 0.000 1.012 141 A HN 0.463 nan 8.150 nan 0.000 0.500 142 V N 3.299 123.284 119.914 0.118 0.000 2.614 142 V HA 0.087 4.207 4.120 -0.001 0.000 0.291 142 V C 0.836 176.943 176.094 0.023 0.000 1.049 142 V CA -0.163 62.193 62.300 0.093 0.000 1.038 142 V CB 1.148 33.073 31.823 0.171 0.000 0.980 142 V HN 0.966 nan 8.190 nan 0.000 0.481 143 E N 5.236 125.430 120.200 -0.010 0.000 2.129 143 E HA 0.136 4.486 4.350 -0.001 0.000 0.283 143 E C -0.282 176.258 176.600 -0.101 0.000 1.080 143 E CA -0.383 55.983 56.400 -0.058 0.000 0.867 143 E CB 0.313 30.003 29.700 -0.016 0.000 1.056 143 E HN 0.689 nan 8.360 nan 0.000 0.404 144 N N 3.074 121.611 118.700 -0.271 0.000 2.518 144 N HA 0.169 4.908 4.740 -0.001 0.000 0.283 144 N C -0.926 174.524 175.510 -0.100 0.000 1.119 144 N CA -0.073 52.837 53.050 -0.234 0.000 0.983 144 N CB 1.691 39.874 38.487 -0.507 0.000 1.139 144 N HN 0.334 nan 8.380 nan 0.000 0.465 145 T N 1.959 116.542 114.554 0.049 0.000 2.788 145 T HA 0.337 4.686 4.350 -0.001 0.000 0.296 145 T C 0.086 174.902 174.700 0.195 0.000 1.009 145 T CA -0.497 61.677 62.100 0.123 0.000 0.949 145 T CB 0.713 69.628 68.868 0.079 0.000 0.946 145 T HN 0.279 nan 8.240 nan 0.000 0.453 146 L N 4.500 125.888 121.223 0.275 0.000 2.317 146 L HA 0.811 5.151 4.340 -0.001 0.000 0.281 146 L C -1.232 175.786 176.870 0.247 0.000 1.024 146 L CA -0.708 54.306 54.840 0.289 0.000 0.810 146 L CB 1.035 43.315 42.059 0.369 0.000 1.240 146 L HN 0.379 nan 8.230 nan 0.000 0.427 147 V N 5.198 125.269 119.914 0.261 0.000 2.447 147 V HA 0.328 4.447 4.120 -0.001 0.000 0.292 147 V C -0.878 175.427 176.094 0.351 0.000 1.021 147 V CA -0.434 62.025 62.300 0.266 0.000 0.850 147 V CB 1.287 33.220 31.823 0.183 0.000 1.005 147 V HN 0.572 nan 8.190 nan 0.000 0.426 148 F N 5.997 126.049 119.950 0.170 0.000 2.411 148 F HA 0.768 5.295 4.527 -0.001 0.000 0.352 148 F C -0.337 175.573 175.800 0.183 0.000 1.123 148 F CA -0.759 57.343 58.000 0.170 0.000 1.044 148 F CB 1.584 40.725 39.000 0.236 0.000 1.135 148 F HN 0.275 nan 8.300 nan 0.000 0.461 149 V N 5.019 124.631 119.914 -0.504 0.000 2.409 149 V HA 0.386 4.506 4.120 -0.001 0.000 0.291 149 V C -0.339 175.399 176.094 -0.593 0.000 1.020 149 V CA -0.766 61.290 62.300 -0.406 0.000 0.848 149 V CB 1.291 33.033 31.823 -0.135 0.000 0.990 149 V HN 0.783 nan 8.190 nan 0.000 0.430 150 S N 3.259 118.733 115.700 -0.378 0.000 2.532 150 S HA 0.364 4.834 4.470 -0.001 0.000 0.318 150 S C -0.835 173.752 174.600 -0.021 0.000 1.083 150 S CA -0.534 57.599 58.200 -0.112 0.000 1.131 150 S CB 0.349 63.615 63.200 0.110 0.000 0.973 150 S HN 0.821 nan 8.310 nan 0.000 0.468 151 D N 3.113 123.408 120.400 -0.175 0.000 2.441 151 D HA 0.332 4.971 4.640 -0.001 0.000 0.231 151 D C 1.202 177.037 176.300 -0.775 0.000 1.073 151 D CA -0.455 53.347 54.000 -0.329 0.000 0.850 151 D CB 1.611 42.252 40.800 -0.266 0.000 1.062 151 D HN 0.468 nan 8.370 nan 0.000 0.524 152 S N 3.428 118.675 115.700 -0.756 0.000 2.436 152 S HA -0.086 4.383 4.470 -0.001 0.000 0.228 152 S C 1.582 175.800 174.600 -0.636 0.000 1.014 152 S CA 0.437 57.985 58.200 -1.087 0.000 0.950 152 S CB 0.038 62.967 63.200 -0.453 0.000 0.784 152 S HN 0.414 nan 8.310 nan 0.000 0.504 153 K N 1.325 121.493 120.400 -0.386 0.000 2.057 153 K HA -0.043 4.277 4.320 -0.001 0.000 0.207 153 K C 1.119 177.568 176.600 -0.252 0.000 1.049 153 K CA 1.575 57.712 56.287 -0.250 0.000 0.931 153 K CB -0.179 32.219 32.500 -0.170 0.000 0.714 153 K HN 0.394 nan 8.250 nan 0.000 0.440 154 D N 0.206 120.430 120.400 -0.293 0.000 2.349 154 D HA 0.031 4.671 4.640 -0.001 0.000 0.214 154 D C -0.312 175.823 176.300 -0.275 0.000 1.063 154 D CA 0.240 54.099 54.000 -0.235 0.000 0.847 154 D CB 0.479 41.166 40.800 -0.188 0.000 0.933 154 D HN 0.049 nan 8.370 nan 0.000 0.513 155 K N 0.202 120.315 120.400 -0.479 0.000 3.096 155 K HA -0.114 4.205 4.320 -0.001 0.000 0.266 155 K C -0.638 175.832 176.600 -0.216 0.000 1.043 155 K CA 0.523 56.550 56.287 -0.433 0.000 0.758 155 K CB -1.901 30.537 32.500 -0.103 0.000 1.260 155 K HN 0.059 nan 8.250 nan 0.000 0.481 156 T N 0.337 114.692 114.554 -0.332 0.000 2.841 156 T HA 0.513 4.862 4.350 -0.001 0.000 0.283 156 T C -0.832 173.700 174.700 -0.280 0.000 1.000 156 T CA -0.620 61.340 62.100 -0.232 0.000 0.977 156 T CB 0.704 69.463 68.868 -0.182 0.000 0.979 156 T HN 0.101 nan 8.240 nan 0.000 0.446 157 Y N 1.329 121.638 120.300 0.014 0.000 2.331 157 Y HA 0.532 5.081 4.550 -0.001 0.000 0.338 157 Y C 0.782 176.678 175.900 -0.007 0.000 0.976 157 Y CA -0.802 57.319 58.100 0.035 0.000 1.137 157 Y CB 1.448 40.066 38.460 0.263 0.000 1.172 157 Y HN 0.495 nan 8.280 nan 0.000 0.478 158 T N 4.590 119.119 114.554 -0.042 0.000 2.848 158 T HA 0.499 4.849 4.350 -0.001 0.000 0.285 158 T C -0.896 173.600 174.700 -0.340 0.000 0.995 158 T CA -0.677 61.281 62.100 -0.236 0.000 0.970 158 T CB 1.181 69.889 68.868 -0.266 0.000 0.976 158 T HN 0.519 nan 8.240 nan 0.000 0.441 159 M N 3.806 122.961 119.600 -0.742 0.000 2.243 159 M HA 0.590 5.070 4.480 -0.001 0.000 0.324 159 M C -2.081 173.864 176.300 -0.592 0.000 1.031 159 M CA -0.569 54.377 55.300 -0.590 0.000 0.949 159 M CB 0.896 32.890 32.600 -1.010 0.000 1.615 159 M HN 0.583 nan 8.290 nan 0.000 0.430 160 Y N 3.774 124.023 120.300 -0.085 0.000 2.377 160 Y HA 0.746 5.296 4.550 -0.001 0.000 0.339 160 Y C -0.650 175.274 175.900 0.039 0.000 1.011 160 Y CA -1.017 57.069 58.100 -0.024 0.000 1.093 160 Y CB 1.584 40.044 38.460 -0.000 0.000 1.201 160 Y HN 0.414 nan 8.280 nan 0.000 0.455 161 V N 3.127 123.162 119.914 0.202 0.000 2.588 161 V HA 0.279 4.399 4.120 -0.001 0.000 0.304 161 V C -0.367 175.866 176.094 0.231 0.000 1.042 161 V CA -1.403 61.023 62.300 0.210 0.000 0.877 161 V CB 1.548 33.484 31.823 0.188 0.000 0.996 161 V HN 0.942 nan 8.190 nan 0.000 0.425 162 N N 3.586 122.416 118.700 0.216 0.000 2.721 162 N HA -0.220 4.520 4.740 -0.001 0.000 0.249 162 N C 1.168 176.788 175.510 0.184 0.000 1.072 162 N CA 1.662 54.841 53.050 0.215 0.000 0.710 162 N CB -1.101 37.617 38.487 0.385 0.000 0.993 162 N HN 1.614 nan 8.380 nan 0.000 0.547 163 G N -1.504 107.380 108.800 0.140 0.000 2.179 163 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.260 163 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.260 163 G C 0.095 175.101 174.900 0.178 0.000 0.977 163 G CA 0.437 45.596 45.100 0.097 0.000 0.641 163 G HN 0.496 nan 8.290 nan 0.000 0.533 164 I N 1.123 121.835 120.570 0.237 0.000 2.377 164 I HA 0.327 4.497 4.170 -0.001 0.000 0.293 164 I C 0.537 176.781 176.117 0.212 0.000 0.987 164 I CA -0.717 60.715 61.300 0.220 0.000 1.185 164 I CB 1.747 39.855 38.000 0.181 0.000 1.341 164 I HN 0.165 nan 8.210 nan 0.000 0.455 165 E N 5.444 125.743 120.200 0.165 0.000 2.265 165 E HA 0.081 4.430 4.350 -0.001 0.000 0.272 165 E C 0.627 177.173 176.600 -0.090 0.000 1.067 165 E CA -0.211 56.111 56.400 -0.129 0.000 0.900 165 E CB 1.046 30.655 29.700 -0.151 0.000 1.017 165 E HN 0.615 nan 8.360 nan 0.000 0.431 166 V N 2.810 122.622 119.914 -0.170 0.000 3.431 166 V HA 0.288 4.408 4.120 -0.001 0.000 0.253 166 V C 0.017 176.156 176.094 0.076 0.000 1.184 166 V CA 0.172 62.450 62.300 -0.036 0.000 1.104 166 V CB -0.589 31.235 31.823 0.002 0.000 0.799 166 V HN 0.488 nan 8.190 nan 0.000 0.462 167 F N -1.554 118.359 119.950 -0.062 0.000 2.678 167 F HA 0.831 5.358 4.527 -0.000 0.000 0.308 167 F C -0.945 174.766 175.800 -0.148 0.000 1.118 167 F CA -0.874 57.085 58.000 -0.068 0.000 0.959 167 F CB 1.243 40.232 39.000 -0.018 0.000 1.305 167 F HN -0.191 nan 8.300 nan 0.000 0.443 168 S N 1.662 117.424 115.700 0.102 0.000 2.673 168 S HA 0.459 4.929 4.470 -0.001 0.000 0.256 168 S C -1.836 172.710 174.600 -0.090 0.000 1.141 168 S CA -0.411 57.762 58.200 -0.046 0.000 1.109 168 S CB 0.566 63.664 63.200 -0.169 0.000 1.101 168 S HN 0.632 nan 8.310 nan 0.000 0.471 169 E N 3.118 123.236 120.200 -0.137 0.000 2.145 169 E HA 0.320 4.670 4.350 -0.001 0.000 0.262 169 E C -0.705 175.778 176.600 -0.196 0.000 0.883 169 E CA -0.470 55.748 56.400 -0.304 0.000 0.748 169 E CB 1.836 30.975 29.700 -0.936 0.000 1.140 169 E HN 0.526 nan 8.360 nan 0.000 0.417 170 T N 1.907 116.385 114.554 -0.127 0.000 2.806 170 T HA 0.404 4.753 4.350 -0.001 0.000 0.290 170 T C 0.440 175.131 174.700 -0.015 0.000 0.966 170 T CA -0.580 61.479 62.100 -0.069 0.000 1.060 170 T CB 0.913 69.739 68.868 -0.070 0.000 0.927 170 T HN 0.298 nan 8.240 nan 0.000 0.485 171 V N 0.524 120.465 119.914 0.045 0.000 2.960 171 V HA 0.604 4.724 4.120 -0.001 0.000 0.315 171 V C 0.404 176.574 176.094 0.127 0.000 1.087 171 V CA -1.025 61.331 62.300 0.094 0.000 0.982 171 V CB 1.980 33.866 31.823 0.106 0.000 1.039 171 V HN 0.745 nan 8.190 nan 0.000 0.437 172 D N 0.426 120.913 120.400 0.144 0.000 2.271 172 D HA 0.051 4.690 4.640 -0.001 0.000 0.206 172 D C 0.699 177.103 176.300 0.174 0.000 0.967 172 D CA 0.740 54.818 54.000 0.130 0.000 0.867 172 D CB -0.211 40.645 40.800 0.093 0.000 0.960 172 D HN 0.625 nan 8.370 nan 0.000 0.509 173 T N 0.673 115.375 114.554 0.247 0.000 2.874 173 T HA 0.294 4.644 4.350 -0.001 0.000 0.321 173 T C -0.900 174.031 174.700 0.385 0.000 1.075 173 T CA -0.685 61.573 62.100 0.264 0.000 0.966 173 T CB 0.290 69.279 68.868 0.202 0.000 1.001 173 T HN 0.020 nan 8.240 nan 0.000 0.476 174 F N 4.146 124.214 119.950 0.197 0.000 2.427 174 F HA 0.556 5.082 4.527 -0.001 0.000 0.352 174 F C -0.378 175.577 175.800 0.259 0.000 1.100 174 F CA -1.399 56.733 58.000 0.221 0.000 1.191 174 F CB 0.650 39.683 39.000 0.056 0.000 1.128 174 F HN 0.349 nan 8.300 nan 0.000 0.533 175 L N 9.324 130.346 121.223 -0.335 0.000 2.324 175 L HA 0.573 4.912 4.340 -0.001 0.000 0.274 175 L C -2.613 174.042 176.870 -0.357 0.000 1.012 175 L CA -2.438 52.292 54.840 -0.184 0.000 0.859 175 L CB 0.679 42.728 42.059 -0.016 0.000 1.224 175 L HN 0.363 nan 8.230 nan 0.000 0.429 176 P HA 0.122 nan 4.420 nan 0.000 0.266 176 P C 1.256 178.574 177.300 0.029 0.000 1.195 176 P CA 0.020 63.150 63.100 0.051 0.000 0.768 176 P CB 0.553 32.366 31.700 0.187 0.000 0.838 177 I N 0.452 121.036 120.570 0.023 0.000 2.614 177 I HA -0.173 3.997 4.170 -0.001 0.000 0.258 177 I C 1.287 177.396 176.117 -0.013 0.000 1.189 177 I CA 1.707 62.961 61.300 -0.077 0.000 1.462 177 I CB -0.656 37.070 38.000 -0.458 0.000 1.092 177 I HN 0.184 nan 8.210 nan 0.000 0.442 178 S N 0.151 115.865 115.700 0.023 0.000 2.528 178 S HA 0.028 4.498 4.470 -0.001 0.000 0.219 178 S C 1.389 176.012 174.600 0.039 0.000 0.985 178 S CA 0.435 58.659 58.200 0.039 0.000 0.914 178 S CB -0.537 62.693 63.200 0.051 0.000 0.776 178 S HN 0.531 nan 8.310 nan 0.000 0.526 179 N N 0.868 119.593 118.700 0.041 0.000 2.251 179 N HA 0.346 5.086 4.740 -0.001 0.000 0.217 179 N C -0.500 175.025 175.510 0.026 0.000 1.124 179 N CA -0.334 52.739 53.050 0.038 0.000 0.843 179 N CB -0.183 38.338 38.487 0.056 0.000 1.024 179 N HN 0.435 nan 8.380 nan 0.000 0.501 180 I N 0.957 121.541 120.570 0.024 0.000 2.496 180 I HA -0.000 4.170 4.170 -0.001 0.000 0.285 180 I C 0.579 176.700 176.117 0.007 0.000 1.080 180 I CA -0.607 60.704 61.300 0.018 0.000 1.404 180 I CB 0.357 38.377 38.000 0.034 0.000 1.403 180 I HN 0.138 nan 8.210 nan 0.000 0.539 181 N N 5.237 123.941 118.700 0.006 0.000 2.417 181 N HA 0.058 4.797 4.740 -0.001 0.000 0.272 181 N C 0.761 176.220 175.510 -0.084 0.000 1.304 181 N CA 1.297 54.338 53.050 -0.015 0.000 0.906 181 N CB 0.214 38.718 38.487 0.029 0.000 1.135 181 N HN 0.834 nan 8.380 nan 0.000 0.483 182 G N 3.406 112.135 108.800 -0.118 0.000 2.137 182 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.237 182 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.237 182 G C 0.312 175.126 174.900 -0.143 0.000 1.002 182 G CA -0.027 44.956 45.100 -0.196 0.000 0.702 182 G HN 0.669 nan 8.290 nan 0.000 0.515 183 I N 1.245 121.773 120.570 -0.070 0.000 2.821 183 I HA 0.123 4.292 4.170 -0.001 0.000 0.294 183 I C 1.129 177.215 176.117 -0.052 0.000 1.210 183 I CA 1.341 62.618 61.300 -0.039 0.000 1.430 183 I CB 0.560 38.558 38.000 -0.003 0.000 1.356 183 I HN 0.391 nan 8.210 nan 0.000 0.563 184 D N 4.670 125.038 120.400 -0.053 0.000 2.538 184 D HA 0.114 4.753 4.640 -0.001 0.000 0.241 184 D C -0.148 176.122 176.300 -0.050 0.000 1.297 184 D CA -0.200 53.768 54.000 -0.053 0.000 0.804 184 D CB 0.514 41.277 40.800 -0.062 0.000 1.122 184 D HN 0.160 nan 8.370 nan 0.000 0.519 185 K N 0.595 120.962 120.400 -0.054 0.000 2.468 185 K HA 0.773 5.092 4.320 -0.001 0.000 0.252 185 K C -1.198 175.341 176.600 -0.101 0.000 0.932 185 K CA -0.747 55.497 56.287 -0.071 0.000 0.794 185 K CB 2.727 35.184 32.500 -0.072 0.000 1.241 185 K HN 0.080 nan 8.250 nan 0.000 0.428 186 A N 1.790 124.537 122.820 -0.121 0.000 2.318 186 A HA 0.720 5.039 4.320 -0.001 0.000 0.317 186 A C -0.714 176.760 177.584 -0.183 0.000 1.159 186 A CA -0.460 51.464 52.037 -0.187 0.000 0.799 186 A CB 0.830 19.737 19.000 -0.154 0.000 1.194 186 A HN 0.541 nan 8.150 nan 0.000 0.479 187 T N 2.877 117.281 114.554 -0.251 0.000 2.916 187 T HA 0.547 4.896 4.350 -0.001 0.000 0.298 187 T C -0.634 173.976 174.700 -0.151 0.000 1.031 187 T CA -0.311 61.685 62.100 -0.172 0.000 0.993 187 T CB 1.029 69.809 68.868 -0.146 0.000 1.045 187 T HN 0.484 nan 8.240 nan 0.000 0.454 188 L N 2.106 123.275 121.223 -0.090 0.000 2.295 188 L HA 0.642 4.981 4.340 -0.001 0.000 0.285 188 L C 1.285 178.141 176.870 -0.024 0.000 1.035 188 L CA -0.523 54.294 54.840 -0.039 0.000 0.806 188 L CB 1.202 43.182 42.059 -0.131 0.000 1.214 188 L HN 1.037 nan 8.230 nan 0.000 0.426 189 G N 2.087 110.893 108.800 0.010 0.000 2.159 189 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.256 189 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.256 189 G C 0.007 174.921 174.900 0.023 0.000 0.977 189 G CA 0.191 45.306 45.100 0.026 0.000 0.652 189 G HN 1.147 nan 8.290 nan 0.000 0.531 190 A N -2.088 120.734 122.820 0.004 0.000 2.540 190 A HA 0.823 5.143 4.320 -0.001 0.000 0.291 190 A C -1.140 176.433 177.584 -0.018 0.000 1.083 190 A CA 0.112 52.158 52.037 0.016 0.000 0.650 190 A CB 1.118 20.114 19.000 -0.007 0.000 1.292 190 A HN 1.450 nan 8.150 nan 0.000 0.435 191 V N 2.071 121.984 119.914 -0.002 0.000 2.409 191 V HA 0.387 4.507 4.120 -0.001 0.000 0.291 191 V C -0.126 175.888 176.094 -0.133 0.000 1.020 191 V CA -0.877 61.356 62.300 -0.112 0.000 0.848 191 V CB 1.636 33.341 31.823 -0.198 0.000 0.990 191 V HN 0.775 nan 8.190 nan 0.000 0.430 192 N N 5.312 123.934 118.700 -0.129 0.000 2.402 192 N HA 0.201 4.940 4.740 -0.001 0.000 0.259 192 N C -0.314 175.116 175.510 -0.133 0.000 1.167 192 N CA -0.009 52.984 53.050 -0.095 0.000 0.949 192 N CB 0.202 38.647 38.487 -0.071 0.000 1.212 192 N HN 0.596 nan 8.380 nan 0.000 0.493 193 R N 2.520 122.922 120.500 -0.162 0.000 2.393 193 R HA 0.186 4.525 4.340 -0.001 0.000 0.315 193 R C -0.038 176.203 176.300 -0.099 0.000 0.952 193 R CA -0.579 55.372 56.100 -0.248 0.000 0.842 193 R CB 1.028 30.913 30.300 -0.691 0.000 1.163 193 R HN 0.514 nan 8.270 nan 0.000 0.450 194 E N 1.473 121.645 120.200 -0.045 0.000 2.365 194 E HA -0.311 4.039 4.350 -0.001 0.000 0.237 194 E C 0.663 177.268 176.600 0.008 0.000 1.238 194 E CA 0.706 57.107 56.400 0.001 0.000 0.718 194 E CB -1.001 28.702 29.700 0.004 0.000 1.218 194 E HN 1.187 nan 8.360 nan 0.000 0.387 195 G N -0.388 108.412 108.800 -0.001 0.000 2.217 195 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.246 195 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.246 195 G C 0.181 175.081 174.900 0.001 0.000 0.990 195 G CA 0.626 45.725 45.100 -0.001 0.000 0.627 195 G HN 0.259 nan 8.290 nan 0.000 0.522 196 K N 0.831 121.246 120.400 0.025 0.000 2.203 196 K HA 0.498 4.817 4.320 -0.001 0.000 0.251 196 K C -0.336 176.294 176.600 0.050 0.000 0.944 196 K CA -0.715 55.583 56.287 0.019 0.000 0.829 196 K CB 1.581 34.078 32.500 -0.005 0.000 1.125 196 K HN 0.298 nan 8.250 nan 0.000 0.430 197 E N 2.567 122.750 120.200 -0.028 0.000 2.159 197 E HA 0.014 4.364 4.350 -0.001 0.000 0.272 197 E C -0.748 175.778 176.600 -0.122 0.000 1.138 197 E CA 0.041 56.415 56.400 -0.043 0.000 0.915 197 E CB 0.079 29.747 29.700 -0.053 0.000 1.028 197 E HN 0.304 nan 8.360 nan 0.000 0.423 198 H N 1.406 120.316 119.070 -0.267 0.000 2.482 198 H HA 0.121 4.677 4.556 -0.001 0.000 0.344 198 H C -0.628 174.482 175.328 -0.364 0.000 1.151 198 H CA -0.534 55.218 56.048 -0.494 0.000 1.300 198 H CB 0.385 29.660 29.762 -0.812 0.000 1.494 198 H HN 0.436 nan 8.280 nan 0.000 0.542 199 Y N -0.942 119.340 120.300 -0.031 0.000 3.234 199 Y HA -0.236 4.313 4.550 -0.000 0.000 0.207 199 Y C -0.122 175.761 175.900 -0.030 0.000 1.316 199 Y CA -0.313 57.764 58.100 -0.039 0.000 1.309 199 Y CB -2.563 35.866 38.460 -0.051 0.000 1.408 199 Y HN 0.437 nan 8.280 nan 0.000 0.544 200 L N 0.686 121.940 121.223 0.053 0.000 2.525 200 L HA 0.285 4.625 4.340 -0.001 0.000 0.278 200 L C 0.974 177.882 176.870 0.063 0.000 1.218 200 L CA 0.609 55.471 54.840 0.037 0.000 0.878 200 L CB 0.508 42.565 42.059 -0.002 0.000 1.127 200 L HN 0.518 nan 8.230 nan 0.000 0.492 201 A N 5.012 127.869 122.820 0.062 0.000 2.325 201 A HA 0.629 4.949 4.320 -0.001 0.000 0.333 201 A C -0.624 177.005 177.584 0.075 0.000 1.155 201 A CA -0.731 51.351 52.037 0.075 0.000 0.814 201 A CB 0.858 19.903 19.000 0.074 0.000 1.206 201 A HN 0.688 nan 8.150 nan 0.000 0.482 202 K N 0.889 121.341 120.400 0.087 0.000 2.274 202 K HA 0.654 4.974 4.320 -0.001 0.000 0.262 202 K C 0.083 176.755 176.600 0.121 0.000 0.961 202 K CA -0.006 56.335 56.287 0.090 0.000 0.833 202 K CB 1.979 34.523 32.500 0.074 0.000 1.102 202 K HN 1.188 nan 8.250 nan 0.000 0.436 203 G N 0.596 109.474 108.800 0.130 0.000 2.368 203 G HA2 0.211 4.171 3.960 -0.001 0.000 0.269 203 G HA3 0.211 4.171 3.960 -0.001 0.000 0.269 203 G C -1.615 173.390 174.900 0.175 0.000 1.291 203 G CA -0.632 44.571 45.100 0.171 0.000 0.903 203 G HN 0.576 nan 8.290 nan 0.000 0.483 204 S N -1.232 114.600 115.700 0.220 0.000 2.536 204 S HA 0.715 5.185 4.470 -0.001 0.000 0.271 204 S C -1.105 173.666 174.600 0.286 0.000 1.134 204 S CA -0.721 57.611 58.200 0.221 0.000 0.897 204 S CB 1.752 65.054 63.200 0.170 0.000 1.094 204 S HN 0.912 nan 8.310 nan 0.000 0.473 205 I N 3.084 123.836 120.570 0.303 0.000 2.337 205 I HA 0.274 4.443 4.170 -0.001 0.000 0.285 205 I C 0.274 176.568 176.117 0.295 0.000 1.041 205 I CA -0.603 60.905 61.300 0.345 0.000 1.199 205 I CB 1.045 39.262 38.000 0.362 0.000 1.370 205 I HN 0.745 nan 8.210 nan 0.000 0.470 206 D N 4.550 125.081 120.400 0.220 0.000 2.183 206 D HA -0.067 4.573 4.640 -0.001 0.000 0.203 206 D C 0.617 176.981 176.300 0.106 0.000 0.969 206 D CA 1.299 55.376 54.000 0.128 0.000 0.842 206 D CB 0.565 41.424 40.800 0.099 0.000 0.957 206 D HN 0.565 nan 8.370 nan 0.000 0.484 207 E N -0.361 119.936 120.200 0.163 0.000 2.354 207 E HA 0.478 4.828 4.350 -0.001 0.000 0.283 207 E C -1.803 174.906 176.600 0.181 0.000 0.938 207 E CA -0.454 56.026 56.400 0.132 0.000 0.777 207 E CB 2.334 32.084 29.700 0.083 0.000 1.222 207 E HN -0.051 nan 8.360 nan 0.000 0.423 208 I N 2.004 122.675 120.570 0.168 0.000 2.656 208 I HA 0.494 4.663 4.170 -0.001 0.000 0.292 208 I C -1.725 174.450 176.117 0.096 0.000 1.144 208 I CA -0.218 61.185 61.300 0.172 0.000 1.038 208 I CB 2.032 40.180 38.000 0.248 0.000 1.244 208 I HN 0.435 nan 8.210 nan 0.000 0.420 209 S N 6.934 122.684 115.700 0.083 0.000 2.541 209 S HA 0.717 5.187 4.470 -0.001 0.000 0.280 209 S C -1.152 173.417 174.600 -0.051 0.000 1.112 209 S CA -0.534 57.644 58.200 -0.037 0.000 0.925 209 S CB 2.063 65.228 63.200 -0.059 0.000 1.067 209 S HN 0.463 nan 8.310 nan 0.000 0.479 210 L N 2.535 123.654 121.223 -0.173 0.000 2.362 210 L HA 0.710 5.049 4.340 -0.001 0.000 0.271 210 L C -1.513 175.113 176.870 -0.406 0.000 1.002 210 L CA -0.263 54.505 54.840 -0.120 0.000 0.818 210 L CB 1.212 43.302 42.059 0.053 0.000 1.298 210 L HN 0.609 nan 8.230 nan 0.000 0.420 211 F N 1.107 121.104 119.950 0.078 0.000 2.551 211 F HA 0.415 4.942 4.527 -0.000 0.000 0.316 211 F C 0.653 176.484 175.800 0.051 0.000 1.089 211 F CA -0.809 57.226 58.000 0.058 0.000 0.915 211 F CB 1.442 40.464 39.000 0.037 0.000 1.186 211 F HN 0.343 nan 8.300 nan 0.000 0.456 212 N N 3.144 121.964 118.700 0.201 0.000 3.052 212 N HA 0.107 4.847 4.740 -0.001 0.000 0.302 212 N C -0.750 174.829 175.510 0.116 0.000 1.332 212 N CA 0.075 53.204 53.050 0.132 0.000 1.129 212 N CB 0.165 38.708 38.487 0.093 0.000 1.436 212 N HN 0.566 nan 8.380 nan 0.000 0.536 213 K N -0.397 120.080 120.400 0.128 0.000 2.562 213 K HA 0.469 4.788 4.320 -0.001 0.000 0.267 213 K C -1.588 175.024 176.600 0.020 0.000 0.938 213 K CA -0.646 55.678 56.287 0.060 0.000 0.840 213 K CB 1.899 34.431 32.500 0.054 0.000 1.390 213 K HN 0.002 nan 8.250 nan 0.000 0.428 214 A N 5.313 128.115 122.820 -0.029 0.000 2.506 214 A HA 0.337 4.657 4.320 -0.001 0.000 0.320 214 A C 0.335 177.867 177.584 -0.086 0.000 1.424 214 A CA -0.737 51.259 52.037 -0.067 0.000 1.044 214 A CB -0.875 18.066 19.000 -0.097 0.000 1.140 214 A HN 0.666 nan 8.150 nan 0.000 0.538 215 I N 1.319 121.822 120.570 -0.112 0.000 2.696 215 I HA 0.404 4.574 4.170 -0.001 0.000 0.284 215 I C 0.725 176.774 176.117 -0.113 0.000 1.129 215 I CA -0.312 60.901 61.300 -0.145 0.000 1.410 215 I CB 0.862 38.716 38.000 -0.243 0.000 1.399 215 I HN 0.549 nan 8.210 nan 0.000 0.579 216 S N 2.612 118.248 115.700 -0.106 0.000 2.617 216 S HA 0.050 4.520 4.470 -0.001 0.000 0.259 216 S C 0.681 175.228 174.600 -0.088 0.000 1.301 216 S CA -0.020 58.131 58.200 -0.081 0.000 0.984 216 S CB 1.191 64.348 63.200 -0.071 0.000 0.954 216 S HN 0.839 nan 8.310 nan 0.000 0.572 217 D N 0.044 120.411 120.400 -0.056 0.000 2.219 217 D HA -0.127 4.513 4.640 -0.001 0.000 0.205 217 D C 1.982 178.221 176.300 -0.102 0.000 0.970 217 D CA 1.359 55.321 54.000 -0.063 0.000 0.851 217 D CB -0.271 40.536 40.800 0.012 0.000 0.943 217 D HN 0.719 nan 8.370 nan 0.000 0.488 218 Q N 0.935 120.686 119.800 -0.081 0.000 2.046 218 Q HA -0.139 4.201 4.340 -0.001 0.000 0.200 218 Q C 1.849 177.785 176.000 -0.107 0.000 0.975 218 Q CA 1.844 57.598 55.803 -0.082 0.000 0.836 218 Q CB -0.421 28.280 28.738 -0.061 0.000 0.896 218 Q HN 0.268 nan 8.270 nan 0.000 0.428 219 E N -0.416 119.711 120.200 -0.122 0.000 2.150 219 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 219 E C 1.993 178.486 176.600 -0.179 0.000 0.985 219 E CA 1.198 57.512 56.400 -0.144 0.000 0.814 219 E CB 0.034 29.637 29.700 -0.163 0.000 0.752 219 E HN 0.231 nan 8.360 nan 0.000 0.466 220 V N 1.216 120.996 119.914 -0.223 0.000 2.295 220 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 220 V C 2.415 178.351 176.094 -0.263 0.000 1.049 220 V CA 1.971 64.085 62.300 -0.310 0.000 1.024 220 V CB -0.684 30.804 31.823 -0.558 0.000 0.648 220 V HN 0.400 nan 8.190 nan 0.000 0.447 221 S N 0.625 116.195 115.700 -0.217 0.000 2.500 221 S HA -0.188 4.282 4.470 -0.001 0.000 0.239 221 S C 1.822 176.354 174.600 -0.113 0.000 0.989 221 S CA 1.686 59.794 58.200 -0.153 0.000 0.951 221 S CB -0.699 62.434 63.200 -0.112 0.000 0.759 221 S HN 0.781 nan 8.310 nan 0.000 0.523 222 T N -0.952 113.535 114.554 -0.112 0.000 3.060 222 T HA 0.381 4.731 4.350 -0.001 0.000 0.249 222 T C 0.505 175.160 174.700 -0.074 0.000 1.079 222 T CA -0.492 61.558 62.100 -0.084 0.000 1.013 222 T CB -0.663 68.159 68.868 -0.076 0.000 0.975 222 T HN 0.418 nan 8.240 nan 0.000 0.518 223 I N 4.422 124.940 120.570 -0.087 0.000 2.533 223 I HA 0.234 4.404 4.170 -0.001 0.000 0.284 223 I C -1.716 174.374 176.117 -0.046 0.000 1.109 223 I CA -2.143 59.122 61.300 -0.058 0.000 1.412 223 I CB 0.538 38.503 38.000 -0.059 0.000 1.396 223 I HN 0.151 nan 8.210 nan 0.000 0.543 224 P HA 0.205 nan 4.420 nan 0.000 0.269 224 P C -0.970 176.312 177.300 -0.029 0.000 1.209 224 P CA -0.031 63.050 63.100 -0.030 0.000 0.776 224 P CB 0.926 32.614 31.700 -0.019 0.000 0.876 225 L N 1.389 122.584 121.223 -0.047 0.000 2.354 225 L HA 0.314 4.654 4.340 -0.001 0.000 0.269 225 L C 0.385 177.212 176.870 -0.073 0.000 1.005 225 L CA -0.500 54.305 54.840 -0.057 0.000 0.819 225 L CB 2.095 44.103 42.059 -0.085 0.000 1.311 225 L HN 0.246 nan 8.230 nan 0.000 0.423 226 S N 1.171 116.829 115.700 -0.070 0.000 2.460 226 S HA 0.283 4.753 4.470 -0.001 0.000 0.211 226 S C -0.275 174.244 174.600 -0.134 0.000 1.312 226 S CA -0.758 57.393 58.200 -0.082 0.000 1.256 226 S CB -0.579 62.594 63.200 -0.046 0.000 1.086 226 S HN 0.468 nan 8.310 nan 0.000 0.507 227 N N 3.872 122.439 118.700 -0.222 0.000 2.488 227 N HA 0.244 4.984 4.740 -0.001 0.000 0.274 227 N C -1.441 173.830 175.510 -0.397 0.000 1.111 227 N CA -1.632 51.186 53.050 -0.387 0.000 0.974 227 N CB 0.835 38.888 38.487 -0.725 0.000 1.089 227 N HN 0.215 nan 8.380 nan 0.000 0.465 228 P HA 0.076 nan 4.420 nan 0.000 0.249 228 P C -0.663 176.319 177.300 -0.530 0.000 1.229 228 P CA 0.344 63.083 63.100 -0.602 0.000 0.788 228 P CB -0.011 31.055 31.700 -1.057 0.000 1.072 229 F N -0.602 119.082 119.950 -0.443 0.000 2.650 229 F HA 0.702 5.229 4.527 -0.001 0.000 0.320 229 F C -0.697 175.080 175.800 -0.038 0.000 1.091 229 F CA -1.243 56.642 58.000 -0.191 0.000 0.962 229 F CB 1.153 40.104 39.000 -0.081 0.000 1.363 229 F HN -0.203 nan 8.300 nan 0.000 0.482 230 Q N 1.400 121.331 119.800 0.217 0.000 2.587 230 Q HA 0.720 5.060 4.340 -0.001 0.000 0.293 230 Q C -2.035 174.108 176.000 0.239 0.000 1.083 230 Q CA -1.175 54.701 55.803 0.122 0.000 0.792 230 Q CB 2.923 31.739 28.738 0.130 0.000 1.484 230 Q HN 0.865 nan 8.270 nan 0.000 0.446 231 L N 1.335 122.602 121.223 0.073 0.000 2.329 231 L HA 0.463 4.802 4.340 -0.001 0.000 0.279 231 L C 0.534 177.251 176.870 -0.255 0.000 1.014 231 L CA -0.514 54.306 54.840 -0.034 0.000 0.814 231 L CB 1.577 43.635 42.059 -0.002 0.000 1.257 231 L HN 0.735 nan 8.230 nan 0.000 0.424 232 I N 0.701 120.993 120.570 -0.463 0.000 2.899 232 I HA 0.108 4.277 4.170 -0.001 0.000 0.257 232 I C -0.121 175.466 176.117 -0.884 0.000 1.115 232 I CA 0.575 61.370 61.300 -0.841 0.000 1.451 232 I CB 0.396 37.612 38.000 -1.306 0.000 1.251 232 I HN 0.279 nan 8.210 nan 0.000 0.456 233 F N 2.234 121.864 119.950 -0.533 0.000 2.443 233 F HA 0.484 5.010 4.527 -0.001 0.000 0.335 233 F C 0.047 175.359 175.800 -0.815 0.000 1.104 233 F CA -0.635 56.883 58.000 -0.803 0.000 1.013 233 F CB 1.280 39.537 39.000 -1.238 0.000 1.136 233 F HN 0.023 nan 8.300 nan 0.000 0.470 234 Q N 0.344 119.879 119.800 -0.443 0.000 2.472 234 Q HA 0.446 4.785 4.340 -0.001 0.000 0.281 234 Q C -1.432 174.689 176.000 0.202 0.000 0.997 234 Q CA -1.119 54.635 55.803 -0.082 0.000 0.828 234 Q CB 1.668 30.375 28.738 -0.052 0.000 1.443 234 Q HN 0.452 nan 8.270 nan 0.000 0.390 235 S N 0.380 116.212 115.700 0.221 0.000 2.575 235 S HA 0.359 4.829 4.470 -0.001 0.000 0.295 235 S C 1.092 175.733 174.600 0.068 0.000 1.267 235 S CA 1.288 59.546 58.200 0.097 0.000 1.074 235 S CB 0.081 63.265 63.200 -0.027 0.000 0.829 235 S HN 1.123 nan 8.310 nan 0.000 0.497 236 G N 2.756 111.590 108.800 0.056 0.000 2.176 236 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.232 236 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.232 236 G C -0.146 174.795 174.900 0.068 0.000 0.986 236 G CA 0.093 45.228 45.100 0.058 0.000 0.643 236 G HN 0.787 nan 8.290 nan 0.000 0.522 237 D N 0.513 120.968 120.400 0.091 0.000 2.478 237 D HA 0.505 5.145 4.640 -0.001 0.000 0.274 237 D C 1.913 178.265 176.300 0.087 0.000 1.234 237 D CA 0.507 54.549 54.000 0.069 0.000 1.069 237 D CB -0.183 40.644 40.800 0.045 0.000 1.113 237 D HN 0.507 nan 8.370 nan 0.000 0.571 238 S N -1.984 113.747 115.700 0.051 0.000 2.469 238 S HA -0.189 4.281 4.470 -0.001 0.000 0.238 238 S C 1.776 176.424 174.600 0.080 0.000 0.998 238 S CA 1.376 59.602 58.200 0.044 0.000 0.957 238 S CB -1.372 61.814 63.200 -0.022 0.000 0.764 238 S HN 0.729 nan 8.310 nan 0.000 0.514 239 T N -2.012 112.615 114.554 0.122 0.000 2.942 239 T HA -0.004 4.346 4.350 -0.001 0.000 0.265 239 T C 1.010 175.954 174.700 0.407 0.000 1.062 239 T CA 0.884 63.145 62.100 0.268 0.000 1.139 239 T CB -0.504 68.539 68.868 0.291 0.000 0.883 239 T HN 0.254 nan 8.240 nan 0.000 0.468 240 Q N -0.162 119.785 119.800 0.246 0.000 2.406 240 Q HA -0.157 4.183 4.340 -0.001 0.000 0.236 240 Q C 0.307 176.373 176.000 0.110 0.000 0.799 240 Q CA 0.948 56.875 55.803 0.206 0.000 1.286 240 Q CB -2.391 26.506 28.738 0.265 0.000 1.615 240 Q HN 0.939 nan 8.270 nan 0.000 0.621 241 A N 0.658 123.354 122.820 -0.207 0.000 2.354 241 A HA 0.455 4.775 4.320 -0.001 0.000 0.269 241 A C 1.000 178.172 177.584 -0.688 0.000 1.109 241 A CA 0.255 51.819 52.037 -0.788 0.000 0.800 241 A CB 0.403 18.573 19.000 -1.382 0.000 1.045 241 A HN 0.194 nan 8.150 nan 0.000 0.489 242 N N -0.230 118.037 118.700 -0.721 0.000 2.353 242 N HA 0.116 4.856 4.740 -0.001 0.000 0.185 242 N C -1.002 173.674 175.510 -1.389 0.000 1.098 242 N CA 0.666 53.154 53.050 -0.937 0.000 0.872 242 N CB -0.044 37.840 38.487 -1.004 0.000 0.970 242 N HN 0.657 nan 8.380 nan 0.000 0.467 243 Y N -1.275 118.599 120.300 -0.710 0.000 2.545 243 Y HA 0.535 5.085 4.550 -0.000 0.000 0.348 243 Y C -1.064 174.256 175.900 -0.966 0.000 1.002 243 Y CA -1.072 56.670 58.100 -0.597 0.000 1.039 243 Y CB 1.266 39.491 38.460 -0.392 0.000 1.271 243 Y HN -0.277 nan 8.280 nan 0.000 0.467 244 F N 1.123 121.042 119.950 -0.052 0.000 2.581 244 F HA 0.739 5.265 4.527 -0.001 0.000 0.311 244 F C -0.247 175.506 175.800 -0.078 0.000 1.113 244 F CA -1.033 56.898 58.000 -0.116 0.000 0.935 244 F CB 2.180 41.095 39.000 -0.141 0.000 1.232 244 F HN 0.257 nan 8.300 nan 0.000 0.445 245 R N 2.261 122.798 120.500 0.061 0.000 2.799 245 R HA 0.665 5.005 4.340 -0.001 0.000 0.270 245 R C -1.257 175.043 176.300 -0.000 0.000 1.010 245 R CA -1.056 55.054 56.100 0.018 0.000 0.916 245 R CB 2.405 32.675 30.300 -0.050 0.000 1.228 245 R HN 0.669 nan 8.270 nan 0.000 0.469 246 I N -0.450 120.128 120.570 0.013 0.000 6.738 246 I HA -0.134 4.036 4.170 -0.001 0.000 0.126 246 I C -2.444 173.737 176.117 0.107 0.000 1.829 246 I CA -0.357 61.004 61.300 0.102 0.000 2.040 246 I CB -2.168 35.884 38.000 0.086 0.000 3.535 246 I HN 0.453 nan 8.210 nan 0.000 0.170 247 P HA 0.408 nan 4.420 nan 0.000 0.274 247 P C 0.244 177.649 177.300 0.174 0.000 1.231 247 P CA 0.401 63.578 63.100 0.128 0.000 0.790 247 P CB 1.473 33.264 31.700 0.151 0.000 0.951 248 T N -0.260 114.404 114.554 0.184 0.000 2.896 248 T HA 0.780 5.130 4.350 -0.001 0.000 0.297 248 T C -0.985 173.881 174.700 0.276 0.000 1.108 248 T CA -0.797 61.441 62.100 0.231 0.000 1.004 248 T CB 0.985 69.987 68.868 0.223 0.000 1.159 248 T HN 0.246 nan 8.240 nan 0.000 0.499 249 L N 1.742 123.156 121.223 0.318 0.000 2.482 249 L HA 0.649 4.989 4.340 -0.001 0.000 0.263 249 L C -1.860 175.260 176.870 0.417 0.000 0.957 249 L CA -1.001 54.058 54.840 0.365 0.000 0.836 249 L CB 2.628 44.902 42.059 0.357 0.000 1.324 249 L HN 0.909 nan 8.230 nan 0.000 0.406 250 Y N 0.754 121.218 120.300 0.272 0.000 2.442 250 Y HA 0.351 4.900 4.550 -0.001 0.000 0.330 250 Y C -0.613 175.414 175.900 0.212 0.000 1.100 250 Y CA -0.472 57.766 58.100 0.230 0.000 1.034 250 Y CB 2.184 40.778 38.460 0.223 0.000 1.285 250 Y HN 0.457 nan 8.280 nan 0.000 0.440 251 T N 6.890 121.456 114.554 0.020 0.000 2.729 251 T HA 0.439 4.788 4.350 -0.001 0.000 0.296 251 T C -0.070 174.708 174.700 0.129 0.000 0.928 251 T CA -0.326 61.821 62.100 0.078 0.000 1.045 251 T CB -0.009 68.864 68.868 0.008 0.000 0.902 251 T HN 0.408 nan 8.240 nan 0.000 0.500 252 L N 2.408 123.759 121.223 0.213 0.000 2.421 252 L HA 0.269 4.609 4.340 -0.001 0.000 0.263 252 L C 2.090 179.024 176.870 0.106 0.000 1.122 252 L CA -0.674 54.294 54.840 0.214 0.000 0.804 252 L CB 0.739 42.894 42.059 0.160 0.000 1.150 252 L HN 0.745 nan 8.230 nan 0.000 0.457 253 S N -0.762 114.996 115.700 0.097 0.000 2.419 253 S HA -0.194 4.276 4.470 -0.001 0.000 0.235 253 S C 1.799 176.411 174.600 0.020 0.000 1.019 253 S CA 1.166 59.397 58.200 0.052 0.000 0.982 253 S CB -0.529 62.701 63.200 0.051 0.000 0.789 253 S HN 0.821 nan 8.310 nan 0.000 0.490 254 S N 0.737 116.443 115.700 0.010 0.000 2.474 254 S HA 0.315 4.785 4.470 -0.001 0.000 0.235 254 S C 1.786 176.373 174.600 -0.022 0.000 0.997 254 S CA 0.888 59.079 58.200 -0.016 0.000 0.949 254 S CB -0.857 62.321 63.200 -0.037 0.000 0.766 254 S HN 1.549 nan 8.310 nan 0.000 0.517 255 G N 1.186 109.980 108.800 -0.009 0.000 2.213 255 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.226 255 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.226 255 G C 0.164 175.050 174.900 -0.023 0.000 0.992 255 G CA -0.026 45.062 45.100 -0.021 0.000 0.632 255 G HN 0.756 nan 8.290 nan 0.000 0.511 256 R N 0.657 121.143 120.500 -0.022 0.000 2.570 256 R HA 0.430 4.769 4.340 -0.001 0.000 0.277 256 R C -0.124 176.200 176.300 0.040 0.000 1.039 256 R CA 0.157 56.243 56.100 -0.024 0.000 1.065 256 R CB 0.466 30.729 30.300 -0.061 0.000 0.964 256 R HN 0.120 nan 8.270 nan 0.000 0.428 257 V N 6.449 126.378 119.914 0.024 0.000 2.398 257 V HA 0.302 4.422 4.120 -0.001 0.000 0.286 257 V C -0.342 175.925 176.094 0.288 0.000 1.026 257 V CA -0.818 61.569 62.300 0.146 0.000 0.868 257 V CB 1.216 33.110 31.823 0.118 0.000 0.982 257 V HN 0.610 nan 8.190 nan 0.000 0.443 258 L N 4.321 125.784 121.223 0.401 0.000 2.325 258 L HA 0.816 5.156 4.340 -0.001 0.000 0.278 258 L C -0.006 177.168 176.870 0.508 0.000 1.023 258 L CA 0.481 55.609 54.840 0.481 0.000 0.811 258 L CB 2.075 44.380 42.059 0.411 0.000 1.249 258 L HN 0.709 nan 8.230 nan 0.000 0.431 259 S N 2.338 118.339 115.700 0.503 0.000 2.526 259 S HA 0.882 5.351 4.470 -0.001 0.000 0.293 259 S C -0.792 174.064 174.600 0.427 0.000 1.092 259 S CA -0.105 58.334 58.200 0.398 0.000 0.980 259 S CB 1.156 64.488 63.200 0.220 0.000 1.048 259 S HN 0.953 nan 8.310 nan 0.000 0.483 260 S N 4.061 119.940 115.700 0.298 0.000 2.671 260 S HA 0.907 5.377 4.470 -0.001 0.000 0.299 260 S C -0.747 173.829 174.600 -0.038 0.000 1.116 260 S CA -0.668 57.620 58.200 0.147 0.000 0.912 260 S CB 1.400 64.644 63.200 0.073 0.000 1.130 260 S HN 0.894 nan 8.310 nan 0.000 0.501 261 I N -0.008 120.425 120.570 -0.229 0.000 2.897 261 I HA 0.309 4.479 4.170 -0.001 0.000 0.299 261 I C -1.982 174.014 176.117 -0.202 0.000 1.527 261 I CA -0.650 60.461 61.300 -0.315 0.000 0.979 261 I CB 2.210 39.730 38.000 -0.799 0.000 1.360 261 I HN 0.670 nan 8.210 nan 0.000 0.495 262 D N 4.556 124.891 120.400 -0.108 0.000 2.325 262 D HA 0.433 5.072 4.640 -0.001 0.000 0.251 262 D C -0.146 176.115 176.300 -0.064 0.000 1.196 262 D CA 0.258 54.222 54.000 -0.059 0.000 0.866 262 D CB 1.438 42.212 40.800 -0.043 0.000 1.101 262 D HN 0.526 nan 8.370 nan 0.000 0.476 263 A N 4.565 127.352 122.820 -0.056 0.000 2.415 263 A HA 0.294 4.614 4.320 -0.001 0.000 0.309 263 A C 0.255 177.603 177.584 -0.394 0.000 1.356 263 A CA -0.564 51.340 52.037 -0.220 0.000 0.998 263 A CB 0.092 19.091 19.000 -0.001 0.000 1.145 263 A HN 0.413 nan 8.150 nan 0.000 0.545 264 R N 2.401 122.596 120.500 -0.510 0.000 2.255 264 R HA 0.360 4.700 4.340 -0.001 0.000 0.326 264 R C -0.582 175.464 176.300 -0.423 0.000 0.986 264 R CA -0.219 55.677 56.100 -0.340 0.000 0.847 264 R CB 0.805 30.973 30.300 -0.220 0.000 1.111 264 R HN 0.816 nan 8.270 nan 0.000 0.452 265 Y N 0.562 120.753 120.300 -0.181 0.000 2.301 265 Y HA 0.103 4.652 4.550 -0.001 0.000 0.295 265 Y C 2.050 177.773 175.900 -0.295 0.000 1.119 265 Y CA 0.503 58.511 58.100 -0.154 0.000 1.162 265 Y CB 0.428 38.835 38.460 -0.089 0.000 1.046 265 Y HN 0.684 nan 8.280 nan 0.000 0.538 266 G N 0.461 109.002 108.800 -0.432 0.000 3.636 266 G HA2 0.455 4.414 3.960 -0.001 0.000 0.260 266 G HA3 0.455 4.414 3.960 -0.001 0.000 0.260 266 G C 0.575 174.394 174.900 -1.800 0.000 1.014 266 G CA 0.253 44.542 45.100 -1.351 0.000 1.797 266 G HN 0.585 nan 8.290 nan 0.000 0.637 267 G N 0.960 108.810 108.800 -1.584 0.000 2.698 267 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.233 267 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.233 267 G C 1.049 175.380 174.900 -0.948 0.000 1.352 267 G CA 0.499 44.587 45.100 -1.686 0.000 0.879 267 G HN 1.273 nan 8.290 nan 0.000 0.567 268 T N -2.485 111.721 114.554 -0.581 0.000 3.169 268 T HA 0.231 4.581 4.350 -0.001 0.000 0.250 268 T C 0.879 175.420 174.700 -0.265 0.000 1.111 268 T CA 0.807 62.703 62.100 -0.340 0.000 1.010 268 T CB -0.229 68.509 68.868 -0.216 0.000 0.984 268 T HN 0.717 nan 8.240 nan 0.000 0.537 269 H N 2.969 121.928 119.070 -0.184 0.000 3.001 269 H HA 0.173 4.729 4.556 -0.001 0.000 0.334 269 H C 0.152 175.384 175.328 -0.159 0.000 1.034 269 H CA -0.127 55.828 56.048 -0.155 0.000 1.420 269 H CB 0.316 29.989 29.762 -0.148 0.000 1.405 269 H HN 0.374 nan 8.280 nan 0.000 0.593 270 D N 0.983 121.382 120.400 -0.002 0.000 2.362 270 D HA -0.029 4.610 4.640 -0.001 0.000 0.238 270 D C 0.364 176.634 176.300 -0.051 0.000 1.212 270 D CA -0.033 53.938 54.000 -0.047 0.000 0.902 270 D CB 0.462 41.222 40.800 -0.066 0.000 1.180 270 D HN 0.352 nan 8.370 nan 0.000 0.445 271 S N 0.120 115.785 115.700 -0.057 0.000 2.561 271 S HA -0.023 4.447 4.470 -0.001 0.000 0.294 271 S C 0.507 175.063 174.600 -0.073 0.000 1.294 271 S CA -0.165 57.996 58.200 -0.065 0.000 1.055 271 S CB 0.106 63.278 63.200 -0.047 0.000 0.819 271 S HN 0.314 nan 8.310 nan 0.000 0.503 272 K N 0.887 121.235 120.400 -0.087 0.000 2.382 272 K HA 0.524 4.844 4.320 -0.001 0.000 0.275 272 K C 0.105 176.632 176.600 -0.121 0.000 1.009 272 K CA -0.376 55.849 56.287 -0.104 0.000 0.970 272 K CB 0.717 33.150 32.500 -0.110 0.000 0.934 272 K HN 0.411 nan 8.250 nan 0.000 0.479 273 S N 0.625 116.239 115.700 -0.144 0.000 2.655 273 S HA 0.126 4.596 4.470 -0.001 0.000 0.263 273 S C -2.003 172.490 174.600 -0.179 0.000 1.091 273 S CA -1.061 57.045 58.200 -0.157 0.000 0.865 273 S CB 0.764 63.890 63.200 -0.123 0.000 1.146 273 S HN 0.747 nan 8.310 nan 0.000 0.482 274 K N 1.850 122.159 120.400 -0.152 0.000 2.253 274 K HA 0.704 5.024 4.320 -0.001 0.000 0.277 274 K C -1.347 175.320 176.600 0.111 0.000 1.053 274 K CA -0.336 55.901 56.287 -0.084 0.000 0.892 274 K CB 0.137 32.550 32.500 -0.145 0.000 1.102 274 K HN 0.522 nan 8.250 nan 0.000 0.469 275 I N 3.360 124.005 120.570 0.124 0.000 2.619 275 I HA 0.301 4.470 4.170 -0.001 0.000 0.292 275 I C -0.713 175.554 176.117 0.249 0.000 1.100 275 I CA -1.086 60.332 61.300 0.196 0.000 1.043 275 I CB 2.212 40.256 38.000 0.073 0.000 1.239 275 I HN 0.561 nan 8.210 nan 0.000 0.420 276 N N 4.845 123.724 118.700 0.299 0.000 2.402 276 N HA 0.565 5.305 4.740 -0.001 0.000 0.294 276 N C -1.044 174.552 175.510 0.142 0.000 1.203 276 N CA -0.592 52.588 53.050 0.216 0.000 0.838 276 N CB 2.283 40.846 38.487 0.127 0.000 1.306 276 N HN 0.307 nan 8.380 nan 0.000 0.510 277 I N 1.136 121.705 120.570 -0.002 0.000 2.321 277 I HA 0.456 4.626 4.170 -0.001 0.000 0.291 277 I C 0.373 176.515 176.117 0.041 0.000 0.998 277 I CA -0.796 60.464 61.300 -0.068 0.000 1.227 277 I CB 0.225 38.065 38.000 -0.267 0.000 1.368 277 I HN 0.409 nan 8.210 nan 0.000 0.466 278 A N 5.278 128.118 122.820 0.033 0.000 2.354 278 A HA 0.938 5.258 4.320 -0.001 0.000 0.321 278 A C -0.026 177.624 177.584 0.111 0.000 1.125 278 A CA -0.395 51.691 52.037 0.082 0.000 0.799 278 A CB 1.600 20.661 19.000 0.102 0.000 1.293 278 A HN 0.750 nan 8.150 nan 0.000 0.452 279 T N -1.874 112.861 114.554 0.301 0.000 2.896 279 T HA 0.800 5.150 4.350 -0.001 0.000 0.297 279 T C -0.467 174.485 174.700 0.421 0.000 1.108 279 T CA -0.321 62.055 62.100 0.459 0.000 1.004 279 T CB 1.557 70.742 68.868 0.528 0.000 1.159 279 T HN 1.660 nan 8.240 nan 0.000 0.499 280 S N 0.542 116.457 115.700 0.358 0.000 2.547 280 S HA 0.738 5.208 4.470 -0.001 0.000 0.270 280 S C -2.043 172.758 174.600 0.335 0.000 1.150 280 S CA -0.907 57.348 58.200 0.093 0.000 0.850 280 S CB 1.083 64.097 63.200 -0.311 0.000 1.118 280 S HN 1.148 nan 8.310 nan 0.000 0.461 281 Y N -0.106 120.364 120.300 0.283 0.000 2.581 281 Y HA 0.856 5.406 4.550 -0.001 0.000 0.345 281 Y C -0.436 175.352 175.900 -0.186 0.000 1.036 281 Y CA -1.076 57.128 58.100 0.174 0.000 1.042 281 Y CB 1.364 39.870 38.460 0.076 0.000 1.289 281 Y HN 0.535 nan 8.280 nan 0.000 0.471 282 S N 0.606 116.039 115.700 -0.444 0.000 2.561 282 S HA 0.368 4.838 4.470 -0.001 0.000 0.303 282 S C -0.841 173.551 174.600 -0.346 0.000 1.110 282 S CA -0.635 57.071 58.200 -0.823 0.000 1.034 282 S CB 0.841 62.916 63.200 -1.875 0.000 1.010 282 S HN 0.769 nan 8.310 nan 0.000 0.482 283 D N 2.628 122.897 120.400 -0.218 0.000 2.368 283 D HA 0.153 4.792 4.640 -0.001 0.000 0.218 283 D C -0.314 175.895 176.300 -0.151 0.000 1.112 283 D CA 0.288 54.211 54.000 -0.127 0.000 0.834 283 D CB 0.450 41.219 40.800 -0.052 0.000 0.953 283 D HN 0.749 nan 8.370 nan 0.000 0.505 284 D N -0.702 119.568 120.400 -0.217 0.000 2.945 284 D HA 0.052 4.692 4.640 -0.001 0.000 0.369 284 D C -0.020 176.182 176.300 -0.163 0.000 1.294 284 D CA -0.631 53.269 54.000 -0.167 0.000 0.778 284 D CB -0.490 40.223 40.800 -0.145 0.000 1.188 284 D HN -0.305 nan 8.370 nan 0.000 0.479 285 N N 0.753 119.363 118.700 -0.151 0.000 2.714 285 N HA -0.172 4.568 4.740 -0.001 0.000 0.250 285 N C 1.150 176.639 175.510 -0.034 0.000 1.117 285 N CA 1.535 54.530 53.050 -0.092 0.000 0.719 285 N CB -1.289 37.134 38.487 -0.105 0.000 1.081 285 N HN 0.886 nan 8.380 nan 0.000 0.557 286 G N -1.003 107.688 108.800 -0.180 0.000 2.157 286 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.239 286 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.239 286 G C 0.941 175.842 174.900 0.001 0.000 0.982 286 G CA 0.793 45.815 45.100 -0.130 0.000 0.650 286 G HN 0.508 nan 8.290 nan 0.000 0.527 287 K N -0.024 120.321 120.400 -0.092 0.000 2.103 287 K HA 0.104 4.424 4.320 -0.001 0.000 0.204 287 K C 1.402 177.971 176.600 -0.051 0.000 1.052 287 K CA 1.605 57.882 56.287 -0.017 0.000 0.945 287 K CB -0.029 32.446 32.500 -0.043 0.000 0.722 287 K HN 0.708 nan 8.250 nan 0.000 0.443 288 T N -2.724 111.689 114.554 -0.234 0.000 2.896 288 T HA 0.507 4.857 4.350 -0.001 0.000 0.297 288 T C -1.577 172.838 174.700 -0.475 0.000 1.108 288 T CA -1.004 60.985 62.100 -0.186 0.000 1.004 288 T CB 1.310 70.102 68.868 -0.127 0.000 1.159 288 T HN 0.117 nan 8.240 nan 0.000 0.499 289 W N 1.205 122.381 121.300 -0.206 0.000 2.915 289 W HA 0.615 5.275 4.660 -0.000 0.000 0.337 289 W C 0.478 176.794 176.519 -0.338 0.000 1.102 289 W CA -0.690 56.481 57.345 -0.289 0.000 1.224 289 W CB 2.045 31.290 29.460 -0.359 0.000 1.416 289 W HN 1.010 nan 8.180 nan 0.000 0.503 290 S N 0.101 115.627 115.700 -0.290 0.000 2.589 290 S HA 0.190 4.660 4.470 -0.001 0.000 0.265 290 S C -0.007 174.433 174.600 -0.267 0.000 1.342 290 S CA -0.605 57.356 58.200 -0.399 0.000 1.005 290 S CB 1.121 63.789 63.200 -0.888 0.000 0.909 290 S HN 0.490 nan 8.310 nan 0.000 0.555 291 E N 1.590 121.670 120.200 -0.200 0.000 2.366 291 E HA 0.280 4.630 4.350 -0.001 0.000 0.266 291 E C -2.416 174.102 176.600 -0.136 0.000 1.015 291 E CA -1.597 54.718 56.400 -0.143 0.000 0.906 291 E CB 0.026 29.674 29.700 -0.087 0.000 0.979 291 E HN 0.408 nan 8.360 nan 0.000 0.443 292 P HA 0.041 nan 4.420 nan 0.000 0.267 292 P C -0.717 176.530 177.300 -0.090 0.000 1.200 292 P CA 0.370 63.443 63.100 -0.044 0.000 0.772 292 P CB 0.324 32.064 31.700 0.066 0.000 0.855 293 I N -2.063 118.485 120.570 -0.037 0.000 3.170 293 I HA 0.594 4.763 4.170 -0.001 0.000 0.312 293 I C -0.764 175.258 176.117 -0.159 0.000 1.085 293 I CA -1.317 59.922 61.300 -0.102 0.000 0.999 293 I CB 1.324 39.400 38.000 0.126 0.000 1.233 293 I HN -0.042 nan 8.210 nan 0.000 0.467 294 F N 1.221 121.287 119.950 0.193 0.000 2.404 294 F HA 0.632 5.159 4.527 -0.001 0.000 0.345 294 F C 1.115 176.950 175.800 0.059 0.000 1.110 294 F CA -0.251 57.809 58.000 0.100 0.000 1.130 294 F CB 1.670 40.714 39.000 0.072 0.000 1.129 294 F HN 0.610 nan 8.300 nan 0.000 0.500 295 A N 3.670 126.468 122.820 -0.037 0.000 1.956 295 A HA 0.350 4.669 4.320 -0.001 0.000 0.212 295 A C 0.465 177.837 177.584 -0.353 0.000 1.188 295 A CA 0.704 52.443 52.037 -0.496 0.000 0.675 295 A CB 0.098 18.400 19.000 -1.163 0.000 0.845 295 A HN 0.676 nan 8.150 nan 0.000 0.455 296 M N -0.002 119.333 119.600 -0.442 0.000 2.324 296 M HA 0.363 4.843 4.480 -0.001 0.000 0.288 296 M C -1.208 174.668 176.300 -0.706 0.000 1.097 296 M CA -0.390 54.407 55.300 -0.838 0.000 0.928 296 M CB 2.613 34.139 32.600 -1.790 0.000 1.648 296 M HN 0.320 nan 8.290 nan 0.000 0.460 297 K N 1.973 122.108 120.400 -0.441 0.000 2.546 297 K HA 0.716 5.035 4.320 -0.001 0.000 0.264 297 K C -2.178 174.418 176.600 -0.007 0.000 0.937 297 K CA -0.632 55.532 56.287 -0.205 0.000 0.833 297 K CB 2.060 34.298 32.500 -0.436 0.000 1.378 297 K HN 0.407 nan 8.250 nan 0.000 0.432 298 F N 1.170 121.250 119.950 0.216 0.000 2.523 298 F HA 0.443 4.970 4.527 -0.000 0.000 0.329 298 F C 0.781 176.648 175.800 0.112 0.000 1.061 298 F CA -1.060 57.091 58.000 0.252 0.000 0.967 298 F CB 1.946 41.082 39.000 0.227 0.000 1.218 298 F HN 0.604 nan 8.300 nan 0.000 0.480 299 N N 0.705 119.662 118.700 0.429 0.000 2.200 299 N HA -0.016 4.724 4.740 -0.001 0.000 0.224 299 N C 0.736 176.209 175.510 -0.062 0.000 1.179 299 N CA 0.217 53.366 53.050 0.166 0.000 0.877 299 N CB 0.195 38.816 38.487 0.223 0.000 1.072 299 N HN 0.603 nan 8.380 nan 0.000 0.519 300 D N -0.298 119.850 120.400 -0.421 0.000 2.178 300 D HA -0.153 4.486 4.640 -0.001 0.000 0.202 300 D C 0.036 176.328 176.300 -0.014 0.000 0.974 300 D CA 1.128 54.760 54.000 -0.613 0.000 0.841 300 D CB -0.108 39.992 40.800 -1.168 0.000 0.953 300 D HN 0.120 nan 8.370 nan 0.000 0.478 301 Y N 0.465 120.658 120.300 -0.178 0.000 2.524 301 Y HA 0.311 4.860 4.550 -0.001 0.000 0.344 301 Y C 0.476 176.308 175.900 -0.114 0.000 1.012 301 Y CA -1.631 56.415 58.100 -0.091 0.000 1.068 301 Y CB 1.349 39.741 38.460 -0.113 0.000 1.249 301 Y HN -0.209 nan 8.280 nan 0.000 0.468 302 E N 1.142 121.354 120.200 0.020 0.000 2.398 302 E HA 0.018 4.367 4.350 -0.001 0.000 0.263 302 E C -0.963 175.578 176.600 -0.098 0.000 1.046 302 E CA -0.191 56.195 56.400 -0.023 0.000 0.908 302 E CB 0.607 30.305 29.700 -0.004 0.000 0.963 302 E HN 0.581 nan 8.360 nan 0.000 0.431 303 E N 2.828 122.953 120.200 -0.124 0.000 1.932 303 E HA 0.056 4.406 4.350 -0.001 0.000 0.275 303 E C -1.008 175.628 176.600 0.061 0.000 1.159 303 E CA 0.193 56.474 56.400 -0.199 0.000 0.905 303 E CB 0.644 30.320 29.700 -0.040 0.000 1.059 303 E HN 0.261 nan 8.360 nan 0.000 0.400 304 Q N 1.891 121.762 119.800 0.119 0.000 2.312 304 Q HA 0.397 4.736 4.340 -0.001 0.000 0.263 304 Q C -0.687 175.468 176.000 0.258 0.000 0.995 304 Q CA -0.784 55.133 55.803 0.189 0.000 0.853 304 Q CB 2.288 31.128 28.738 0.170 0.000 1.300 304 Q HN 0.451 nan 8.270 nan 0.000 0.448 305 L N 3.537 124.852 121.223 0.153 0.000 2.295 305 L HA 0.374 4.714 4.340 -0.001 0.000 0.288 305 L C -1.323 175.543 176.870 -0.007 0.000 1.079 305 L CA -0.523 54.331 54.840 0.024 0.000 0.830 305 L CB 0.420 42.459 42.059 -0.032 0.000 1.200 305 L HN 0.396 nan 8.230 nan 0.000 0.438 306 V N 4.452 124.380 119.914 0.023 0.000 2.604 306 V HA 0.261 4.381 4.120 -0.001 0.000 0.305 306 V C -0.821 175.327 176.094 0.089 0.000 1.043 306 V CA -0.653 61.753 62.300 0.176 0.000 0.888 306 V CB 1.654 33.779 31.823 0.503 0.000 0.995 306 V HN 0.399 nan 8.190 nan 0.000 0.429 307 Y N 2.995 123.451 120.300 0.259 0.000 2.613 307 Y HA 0.172 4.722 4.550 -0.001 0.000 0.354 307 Y C 0.425 176.442 175.900 0.195 0.000 1.063 307 Y CA 0.007 58.241 58.100 0.222 0.000 1.384 307 Y CB 0.360 38.879 38.460 0.098 0.000 1.199 307 Y HN 0.623 nan 8.280 nan 0.000 0.517 308 W N 6.994 128.360 121.300 0.109 0.000 2.253 308 W HA 0.130 4.790 4.660 -0.001 0.000 0.322 308 W C -2.152 174.231 176.519 -0.227 0.000 1.342 308 W CA -1.918 55.311 57.345 -0.193 0.000 1.218 308 W CB 1.244 30.393 29.460 -0.518 0.000 1.205 308 W HN 0.365 nan 8.180 nan 0.000 0.551 309 P HA 0.027 nan 4.420 nan 0.000 0.268 309 P C -0.011 177.283 177.300 -0.009 0.000 1.204 309 P CA 0.545 63.459 63.100 -0.309 0.000 0.768 309 P CB 0.644 32.014 31.700 -0.549 0.000 0.842 310 R N 0.831 121.363 120.500 0.053 0.000 2.362 310 R HA 0.085 4.424 4.340 -0.001 0.000 0.227 310 R C 0.684 177.013 176.300 0.049 0.000 0.905 310 R CA -0.120 56.047 56.100 0.111 0.000 1.067 310 R CB 0.173 30.537 30.300 0.107 0.000 1.078 310 R HN 0.633 nan 8.270 nan 0.000 0.516 311 D N 0.364 120.771 120.400 0.011 0.000 2.362 311 D HA -0.024 4.616 4.640 -0.001 0.000 0.242 311 D C 0.157 176.463 176.300 0.010 0.000 1.132 311 D CA -0.278 53.724 54.000 0.003 0.000 0.907 311 D CB 0.756 41.548 40.800 -0.014 0.000 1.195 311 D HN -0.202 nan 8.370 nan 0.000 0.429 312 N N 0.960 119.664 118.700 0.008 0.000 2.348 312 N HA -0.178 4.561 4.740 -0.001 0.000 0.185 312 N C 1.490 177.007 175.510 0.012 0.000 1.019 312 N CA 0.989 54.045 53.050 0.010 0.000 0.880 312 N CB -0.266 38.222 38.487 0.003 0.000 0.965 312 N HN 0.536 nan 8.380 nan 0.000 0.437 313 K N 0.843 121.246 120.400 0.005 0.000 2.062 313 K HA 0.113 4.432 4.320 -0.001 0.000 0.205 313 K C 1.562 178.169 176.600 0.013 0.000 1.051 313 K CA 0.927 57.217 56.287 0.006 0.000 0.941 313 K CB 0.021 32.520 32.500 -0.001 0.000 0.719 313 K HN 0.112 nan 8.250 nan 0.000 0.440 314 L N 0.670 121.892 121.223 -0.001 0.000 2.638 314 L HA 0.172 4.511 4.340 -0.001 0.000 0.232 314 L C 1.850 178.742 176.870 0.036 0.000 1.099 314 L CA 0.017 54.851 54.840 -0.010 0.000 0.883 314 L CB -0.065 41.928 42.059 -0.110 0.000 1.136 314 L HN 0.201 nan 8.230 nan 0.000 0.492 315 K N -0.383 120.074 120.400 0.095 0.000 2.209 315 K HA -0.139 4.181 4.320 -0.001 0.000 0.204 315 K C 0.996 177.878 176.600 0.470 0.000 1.048 315 K CA 1.428 57.874 56.287 0.266 0.000 0.940 315 K CB -0.213 32.407 32.500 0.200 0.000 0.729 315 K HN 0.202 nan 8.250 nan 0.000 0.451 316 N N 1.170 120.040 118.700 0.285 0.000 2.461 316 N HA 0.008 4.747 4.740 -0.001 0.000 0.188 316 N C -0.410 175.207 175.510 0.179 0.000 1.134 316 N CA 0.217 53.404 53.050 0.228 0.000 0.878 316 N CB 0.174 38.704 38.487 0.072 0.000 0.972 316 N HN 0.131 nan 8.380 nan 0.000 0.456 317 S N 1.002 116.873 115.700 0.285 0.000 2.563 317 S HA -0.020 4.450 4.470 -0.001 0.000 0.294 317 S C 0.307 175.199 174.600 0.486 0.000 1.279 317 S CA 0.282 58.666 58.200 0.308 0.000 1.069 317 S CB 0.721 64.107 63.200 0.310 0.000 0.828 317 S HN 0.267 nan 8.310 nan 0.000 0.497 318 Q N 1.823 121.783 119.800 0.266 0.000 2.289 318 Q HA 0.415 4.755 4.340 -0.001 0.000 0.270 318 Q C -1.051 175.023 176.000 0.124 0.000 1.038 318 Q CA -0.552 55.337 55.803 0.144 0.000 0.812 318 Q CB 1.325 29.971 28.738 -0.153 0.000 1.300 318 Q HN 0.646 nan 8.270 nan 0.000 0.427 319 I N 2.437 123.067 120.570 0.101 0.000 2.662 319 I HA -0.052 4.118 4.170 -0.001 0.000 0.285 319 I C 0.539 176.568 176.117 -0.145 0.000 1.161 319 I CA 0.693 61.983 61.300 -0.016 0.000 1.415 319 I CB 0.755 38.695 38.000 -0.100 0.000 1.385 319 I HN 0.675 nan 8.210 nan 0.000 0.552 320 S N 3.927 119.533 115.700 -0.156 0.000 2.578 320 S HA 0.150 4.620 4.470 -0.001 0.000 0.228 320 S C 1.375 175.852 174.600 -0.206 0.000 1.022 320 S CA 0.107 58.213 58.200 -0.158 0.000 0.967 320 S CB 0.942 64.082 63.200 -0.100 0.000 0.914 320 S HN 0.892 nan 8.310 nan 0.000 0.515 321 G N 0.815 109.432 108.800 -0.305 0.000 3.519 321 G HA2 0.306 4.265 3.960 -0.001 0.000 0.269 321 G HA3 0.306 4.265 3.960 -0.001 0.000 0.269 321 G C 0.042 174.665 174.900 -0.462 0.000 1.028 321 G CA -0.041 44.875 45.100 -0.306 0.000 0.809 321 G HN 0.336 nan 8.290 nan 0.000 0.521 322 S N -0.016 115.251 115.700 -0.722 0.000 2.608 322 S HA 0.761 5.230 4.470 -0.001 0.000 0.291 322 S C 0.503 174.880 174.600 -0.371 0.000 1.146 322 S CA -0.120 57.623 58.200 -0.760 0.000 1.043 322 S CB 1.321 63.880 63.200 -1.068 0.000 1.037 322 S HN 0.520 nan 8.310 nan 0.000 0.520 323 A N 2.364 125.004 122.820 -0.300 0.000 2.287 323 A HA 0.797 5.116 4.320 -0.001 0.000 0.273 323 A C 0.158 177.674 177.584 -0.112 0.000 1.091 323 A CA -0.179 51.692 52.037 -0.277 0.000 0.817 323 A CB 0.291 18.883 19.000 -0.680 0.000 1.069 323 A HN 1.451 nan 8.150 nan 0.000 0.492 324 S N -1.163 114.480 115.700 -0.094 0.000 2.615 324 S HA 0.797 5.267 4.470 -0.001 0.000 0.269 324 S C -1.142 173.231 174.600 -0.378 0.000 1.161 324 S CA -0.700 57.443 58.200 -0.096 0.000 0.817 324 S CB 0.673 63.837 63.200 -0.060 0.000 1.131 324 S HN 0.561 nan 8.310 nan 0.000 0.467 325 F N 0.375 120.307 119.950 -0.031 0.000 2.579 325 F HA 0.856 5.383 4.527 -0.000 0.000 0.324 325 F C -0.067 175.688 175.800 -0.076 0.000 1.058 325 F CA -0.919 57.008 58.000 -0.121 0.000 0.944 325 F CB 1.946 40.801 39.000 -0.242 0.000 1.245 325 F HN 0.795 nan 8.300 nan 0.000 0.477 326 I N 1.376 122.017 120.570 0.118 0.000 2.753 326 I HA 0.295 4.465 4.170 -0.001 0.000 0.291 326 I C -1.917 174.231 176.117 0.052 0.000 1.425 326 I CA -0.434 60.900 61.300 0.057 0.000 1.039 326 I CB 1.652 39.666 38.000 0.024 0.000 1.349 326 I HN 0.630 nan 8.210 nan 0.000 0.430 327 D N 4.456 124.885 120.400 0.048 0.000 4.621 327 D HA -0.112 4.528 4.640 -0.001 0.000 0.241 327 D C -0.578 175.746 176.300 0.040 0.000 1.065 327 D CA 1.387 55.431 54.000 0.073 0.000 1.247 327 D CB -0.438 40.429 40.800 0.110 0.000 0.793 327 D HN 0.698 nan 8.370 nan 0.000 0.391 328 S N -0.103 115.614 115.700 0.028 0.000 2.681 328 S HA 0.844 5.314 4.470 -0.001 0.000 0.299 328 S C -0.080 174.557 174.600 0.061 0.000 1.113 328 S CA -0.590 57.603 58.200 -0.011 0.000 1.013 328 S CB 2.860 66.017 63.200 -0.070 0.000 1.076 328 S HN 0.376 nan 8.310 nan 0.000 0.534 329 S N 0.391 116.126 115.700 0.059 0.000 2.536 329 S HA 0.643 5.113 4.470 -0.001 0.000 0.271 329 S C -0.981 173.789 174.600 0.283 0.000 1.134 329 S CA -0.959 57.371 58.200 0.216 0.000 0.897 329 S CB 0.572 63.968 63.200 0.326 0.000 1.094 329 S HN 0.898 nan 8.310 nan 0.000 0.473 330 I N 1.213 121.979 120.570 0.327 0.000 2.646 330 I HA 0.963 5.133 4.170 -0.001 0.000 0.299 330 I C -1.029 175.105 176.117 0.029 0.000 1.036 330 I CA -1.001 60.436 61.300 0.228 0.000 1.074 330 I CB 1.851 39.943 38.000 0.153 0.000 1.258 330 I HN 0.424 nan 8.210 nan 0.000 0.430 331 V N 3.169 123.032 119.914 -0.085 0.000 3.178 331 V HA 0.437 4.557 4.120 -0.001 0.000 0.302 331 V C -1.288 174.624 176.094 -0.304 0.000 1.262 331 V CA -0.322 61.723 62.300 -0.425 0.000 1.030 331 V CB 2.554 34.240 31.823 -0.229 0.000 1.074 331 V HN 0.987 nan 8.190 nan 0.000 0.438 332 E N 2.322 122.345 120.200 -0.295 0.000 2.171 332 E HA 0.441 4.790 4.350 -0.001 0.000 0.271 332 E C -1.567 175.076 176.600 0.072 0.000 0.916 332 E CA -0.614 55.780 56.400 -0.009 0.000 0.774 332 E CB 1.661 31.435 29.700 0.123 0.000 1.128 332 E HN 0.741 nan 8.360 nan 0.000 0.403 333 D N 3.741 124.185 120.400 0.073 0.000 2.359 333 D HA 0.128 4.768 4.640 -0.001 0.000 0.230 333 D C 0.640 176.973 176.300 0.055 0.000 1.118 333 D CA -0.183 53.856 54.000 0.066 0.000 0.844 333 D CB 1.066 41.905 40.800 0.065 0.000 1.059 333 D HN 0.352 nan 8.370 nan 0.000 0.493 334 K N 2.515 122.947 120.400 0.053 0.000 2.009 334 K HA -0.191 4.129 4.320 -0.001 0.000 0.210 334 K C 1.531 178.147 176.600 0.027 0.000 1.049 334 K CA 1.100 57.413 56.287 0.042 0.000 0.929 334 K CB 0.096 32.620 32.500 0.040 0.000 0.714 334 K HN 0.170 nan 8.250 nan 0.000 0.440 335 K N 0.856 121.269 120.400 0.021 0.000 2.002 335 K HA -0.107 4.213 4.320 -0.001 0.000 0.209 335 K C 2.107 178.714 176.600 0.013 0.000 1.048 335 K CA 2.056 58.351 56.287 0.013 0.000 0.930 335 K CB -0.291 32.212 32.500 0.006 0.000 0.714 335 K HN 0.190 nan 8.250 nan 0.000 0.438 336 S N -1.615 114.095 115.700 0.017 0.000 2.496 336 S HA 0.094 4.564 4.470 -0.001 0.000 0.224 336 S C 1.580 176.190 174.600 0.016 0.000 0.996 336 S CA 0.757 58.967 58.200 0.017 0.000 0.927 336 S CB -0.129 63.085 63.200 0.024 0.000 0.774 336 S HN 0.507 nan 8.310 nan 0.000 0.524 337 G N 1.124 109.936 108.800 0.020 0.000 2.189 337 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.267 337 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.267 337 G C 0.049 174.956 174.900 0.012 0.000 0.975 337 G CA 0.536 45.644 45.100 0.014 0.000 0.644 337 G HN 0.612 nan 8.290 nan 0.000 0.537 338 K N 0.953 121.370 120.400 0.027 0.000 2.295 338 K HA 0.455 4.775 4.320 -0.001 0.000 0.270 338 K C 0.208 176.843 176.600 0.059 0.000 1.011 338 K CA 0.417 56.726 56.287 0.037 0.000 0.953 338 K CB 0.487 33.027 32.500 0.067 0.000 0.956 338 K HN 0.151 nan 8.250 nan 0.000 0.477 339 T N 3.081 117.668 114.554 0.054 0.000 2.795 339 T HA 0.465 4.814 4.350 -0.001 0.000 0.282 339 T C 0.044 174.912 174.700 0.279 0.000 0.980 339 T CA -0.593 61.577 62.100 0.117 0.000 1.012 339 T CB 0.547 69.453 68.868 0.064 0.000 0.936 339 T HN 0.320 nan 8.240 nan 0.000 0.457 340 I N 3.255 124.012 120.570 0.312 0.000 2.465 340 I HA 0.553 4.723 4.170 -0.001 0.000 0.291 340 I C -0.804 175.511 176.117 0.330 0.000 1.014 340 I CA -0.954 60.569 61.300 0.371 0.000 1.093 340 I CB 2.016 40.256 38.000 0.400 0.000 1.267 340 I HN 0.376 nan 8.210 nan 0.000 0.431 341 L N 6.866 128.191 121.223 0.171 0.000 2.406 341 L HA 0.602 4.942 4.340 -0.001 0.000 0.272 341 L C -1.681 175.064 176.870 -0.209 0.000 0.980 341 L CA -0.530 54.269 54.840 -0.069 0.000 0.831 341 L CB 1.515 43.353 42.059 -0.368 0.000 1.253 341 L HN 0.432 nan 8.230 nan 0.000 0.406 342 L N 4.575 125.593 121.223 -0.342 0.000 2.334 342 L HA 0.993 5.332 4.340 -0.001 0.000 0.270 342 L C -0.191 176.517 176.870 -0.270 0.000 1.018 342 L CA -0.167 54.440 54.840 -0.388 0.000 0.811 342 L CB 1.880 43.540 42.059 -0.665 0.000 1.271 342 L HN 0.743 nan 8.230 nan 0.000 0.443 343 A N 0.095 122.785 122.820 -0.215 0.000 2.612 343 A HA 0.638 4.958 4.320 -0.001 0.000 0.293 343 A C -1.701 175.854 177.584 -0.048 0.000 1.075 343 A CA -0.806 51.160 52.037 -0.118 0.000 0.680 343 A CB 0.913 19.835 19.000 -0.130 0.000 1.279 343 A HN 0.582 nan 8.150 nan 0.000 0.411 344 D N 0.536 120.947 120.400 0.018 0.000 2.372 344 D HA 0.428 5.067 4.640 -0.001 0.000 0.243 344 D C -0.242 176.096 176.300 0.062 0.000 1.121 344 D CA 0.369 54.405 54.000 0.060 0.000 0.898 344 D CB 1.278 42.150 40.800 0.119 0.000 1.202 344 D HN 0.265 nan 8.370 nan 0.000 0.428 345 V N 2.558 122.492 119.914 0.034 0.000 2.487 345 V HA 0.388 4.508 4.120 -0.001 0.000 0.298 345 V C -0.023 176.095 176.094 0.040 0.000 1.028 345 V CA -0.768 61.447 62.300 -0.142 0.000 0.860 345 V CB 1.651 33.305 31.823 -0.282 0.000 0.991 345 V HN 0.381 nan 8.190 nan 0.000 0.427 346 M N 5.817 125.387 119.600 -0.050 0.000 2.253 346 M HA 0.508 4.987 4.480 -0.001 0.000 0.314 346 M C -2.818 173.534 176.300 0.086 0.000 1.019 346 M CA -2.112 53.234 55.300 0.076 0.000 0.932 346 M CB 1.899 34.507 32.600 0.014 0.000 1.606 346 M HN 0.295 nan 8.290 nan 0.000 0.430 347 P HA 0.183 nan 4.420 nan 0.000 0.275 347 P C -0.487 176.815 177.300 0.003 0.000 1.270 347 P CA -0.432 62.772 63.100 0.174 0.000 0.791 347 P CB 0.372 32.147 31.700 0.125 0.000 1.089 348 A N 0.548 123.347 122.820 -0.036 0.000 2.522 348 A HA 0.407 4.727 4.320 -0.001 0.000 0.256 348 A C 1.399 178.930 177.584 -0.089 0.000 1.086 348 A CA 0.737 52.718 52.037 -0.093 0.000 0.763 348 A CB -1.816 17.146 19.000 -0.064 0.000 1.024 348 A HN 0.862 nan 8.150 nan 0.000 0.502 349 G N 1.629 110.350 108.800 -0.132 0.000 2.159 349 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.256 349 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.256 349 G C 0.019 174.874 174.900 -0.075 0.000 0.977 349 G CA 0.314 45.345 45.100 -0.115 0.000 0.652 349 G HN 0.703 nan 8.290 nan 0.000 0.531 350 I N 0.664 121.202 120.570 -0.054 0.000 2.525 350 I HA 0.781 4.951 4.170 -0.001 0.000 0.301 350 I C 0.929 177.031 176.117 -0.024 0.000 0.992 350 I CA 0.117 61.404 61.300 -0.022 0.000 1.162 350 I CB 1.053 39.064 38.000 0.019 0.000 1.332 350 I HN 0.286 nan 8.210 nan 0.000 0.458 351 G N 3.491 112.282 108.800 -0.015 0.000 2.782 351 G HA2 0.118 4.078 3.960 -0.001 0.000 0.304 351 G HA3 0.118 4.078 3.960 -0.001 0.000 0.304 351 G C 0.419 175.326 174.900 0.012 0.000 1.315 351 G CA -0.359 44.733 45.100 -0.013 0.000 0.791 351 G HN 0.556 nan 8.290 nan 0.000 0.519 352 N N -0.004 118.693 118.700 -0.005 0.000 2.120 352 N HA -0.160 4.580 4.740 -0.001 0.000 0.188 352 N C 1.611 177.141 175.510 0.034 0.000 1.024 352 N CA 2.123 55.186 53.050 0.021 0.000 0.852 352 N CB -0.142 38.287 38.487 -0.096 0.000 1.003 352 N HN 0.507 nan 8.380 nan 0.000 0.424 353 N N 0.413 119.111 118.700 -0.003 0.000 2.467 353 N HA -0.093 4.647 4.740 -0.001 0.000 0.184 353 N C 0.616 176.123 175.510 -0.005 0.000 1.106 353 N CA 0.781 53.829 53.050 -0.003 0.000 0.892 353 N CB -0.274 38.199 38.487 -0.022 0.000 0.969 353 N HN 0.341 nan 8.380 nan 0.000 0.454 354 N N -0.376 118.320 118.700 -0.006 0.000 2.177 354 N HA 0.186 4.926 4.740 -0.001 0.000 0.218 354 N C -0.460 175.048 175.510 -0.004 0.000 1.182 354 N CA -0.331 52.714 53.050 -0.009 0.000 0.882 354 N CB 0.008 38.484 38.487 -0.019 0.000 1.052 354 N HN 0.240 nan 8.380 nan 0.000 0.519 355 A N 0.986 123.810 122.820 0.007 0.000 2.409 355 A HA 0.232 4.552 4.320 -0.001 0.000 0.262 355 A C 0.243 177.810 177.584 -0.028 0.000 1.113 355 A CA -0.469 51.566 52.037 -0.003 0.000 0.790 355 A CB -0.032 18.980 19.000 0.021 0.000 1.046 355 A HN 0.310 nan 8.150 nan 0.000 0.496 356 N N 1.863 120.534 118.700 -0.050 0.000 2.423 356 N HA -0.016 4.724 4.740 -0.001 0.000 0.275 356 N C 0.785 176.237 175.510 -0.096 0.000 1.283 356 N CA 0.497 53.507 53.050 -0.066 0.000 0.932 356 N CB 0.387 38.829 38.487 -0.075 0.000 1.185 356 N HN 0.646 nan 8.380 nan 0.000 0.483 357 K N 2.247 122.594 120.400 -0.089 0.000 2.296 357 K HA 0.066 4.386 4.320 -0.001 0.000 0.200 357 K C 0.671 177.170 176.600 -0.168 0.000 1.048 357 K CA 0.740 56.950 56.287 -0.130 0.000 0.966 357 K CB 0.354 32.791 32.500 -0.105 0.000 0.754 357 K HN 0.523 nan 8.250 nan 0.000 0.466 358 A N 1.197 123.947 122.820 -0.116 0.000 2.708 358 A HA 0.100 4.420 4.320 -0.001 0.000 0.293 358 A C -0.721 176.819 177.584 -0.073 0.000 1.303 358 A CA -0.207 51.772 52.037 -0.096 0.000 0.949 358 A CB 0.201 19.164 19.000 -0.063 0.000 1.121 358 A HN 0.031 nan 8.150 nan 0.000 0.542 359 D N -0.799 119.545 120.400 -0.094 0.000 2.891 359 D HA 0.155 4.795 4.640 -0.001 0.000 0.224 359 D C 0.987 177.219 176.300 -0.114 0.000 1.321 359 D CA 0.497 54.441 54.000 -0.092 0.000 0.929 359 D CB 1.782 42.505 40.800 -0.129 0.000 1.551 359 D HN 0.078 nan 8.370 nan 0.000 0.574 360 S N 2.046 117.714 115.700 -0.053 0.000 2.428 360 S HA 0.159 4.629 4.470 -0.001 0.000 0.230 360 S C 1.637 176.205 174.600 -0.054 0.000 1.014 360 S CA 1.316 59.495 58.200 -0.035 0.000 0.957 360 S CB 0.074 63.306 63.200 0.053 0.000 0.784 360 S HN 1.054 nan 8.310 nan 0.000 0.499 361 G N -0.099 108.647 108.800 -0.090 0.000 2.195 361 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.246 361 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.246 361 G C -0.096 174.671 174.900 -0.221 0.000 0.984 361 G CA 0.133 45.136 45.100 -0.162 0.000 0.633 361 G HN 0.516 nan 8.290 nan 0.000 0.525 362 F N 0.671 120.656 119.950 0.058 0.000 2.522 362 F HA 0.681 5.208 4.527 -0.001 0.000 0.324 362 F C 0.428 176.351 175.800 0.205 0.000 1.077 362 F CA -0.890 57.204 58.000 0.157 0.000 0.944 362 F CB 1.983 41.070 39.000 0.145 0.000 1.175 362 F HN -0.016 nan 8.300 nan 0.000 0.468 363 K N 2.319 122.975 120.400 0.427 0.000 2.185 363 K HA 0.194 4.513 4.320 -0.001 0.000 0.269 363 K C -0.591 176.193 176.600 0.307 0.000 0.987 363 K CA -0.551 55.928 56.287 0.320 0.000 0.865 363 K CB 1.159 33.811 32.500 0.253 0.000 1.090 363 K HN 0.648 nan 8.250 nan 0.000 0.450 364 E N 5.760 126.032 120.200 0.119 0.000 2.194 364 E HA 0.156 4.506 4.350 -0.001 0.000 0.284 364 E C -1.081 175.522 176.600 0.005 0.000 1.035 364 E CA -0.347 55.958 56.400 -0.159 0.000 0.836 364 E CB 0.628 30.099 29.700 -0.383 0.000 1.070 364 E HN 0.557 nan 8.360 nan 0.000 0.401 365 I N 4.418 125.036 120.570 0.080 0.000 2.466 365 I HA 0.149 4.319 4.170 -0.001 0.000 0.279 365 I C -0.360 175.833 176.117 0.128 0.000 1.033 365 I CA -0.635 60.752 61.300 0.144 0.000 1.123 365 I CB 0.649 38.791 38.000 0.237 0.000 1.237 365 I HN 0.647 nan 8.210 nan 0.000 0.460 366 N N 5.059 123.784 118.700 0.041 0.000 2.614 366 N HA -0.205 4.535 4.740 -0.001 0.000 0.276 366 N C 1.076 176.540 175.510 -0.078 0.000 1.119 366 N CA 0.978 54.037 53.050 0.015 0.000 0.742 366 N CB -0.344 38.190 38.487 0.079 0.000 0.900 366 N HN 1.127 nan 8.380 nan 0.000 0.549 367 G N -0.639 108.033 108.800 -0.214 0.000 2.228 367 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.270 367 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.270 367 G C -0.065 174.499 174.900 -0.560 0.000 0.976 367 G CA 0.891 45.768 45.100 -0.372 0.000 0.636 367 G HN 0.733 nan 8.290 nan 0.000 0.542 368 H N -1.202 117.692 119.070 -0.293 0.000 2.502 368 H HA 0.584 5.140 4.556 -0.001 0.000 0.338 368 H C -0.838 174.142 175.328 -0.581 0.000 1.155 368 H CA -0.418 55.399 56.048 -0.385 0.000 1.237 368 H CB 1.200 30.754 29.762 -0.346 0.000 1.534 368 H HN 0.146 nan 8.280 nan 0.000 0.523 369 Y N 1.148 121.235 120.300 -0.354 0.000 2.335 369 Y HA 0.230 4.780 4.550 -0.001 0.000 0.338 369 Y C -0.727 175.015 175.900 -0.264 0.000 0.977 369 Y CA -0.576 57.379 58.100 -0.241 0.000 1.114 369 Y CB 0.990 39.266 38.460 -0.308 0.000 1.182 369 Y HN 0.437 nan 8.280 nan 0.000 0.463 370 Y N 3.020 123.622 120.300 0.502 0.000 2.376 370 Y HA 0.394 4.943 4.550 -0.001 0.000 0.340 370 Y C -0.517 175.622 175.900 0.397 0.000 0.965 370 Y CA -1.307 57.040 58.100 0.412 0.000 1.078 370 Y CB 1.416 40.004 38.460 0.213 0.000 1.193 370 Y HN 0.465 nan 8.280 nan 0.000 0.452 371 L N 4.605 126.052 121.223 0.373 0.000 2.513 371 L HA 0.144 4.484 4.340 -0.001 0.000 0.272 371 L C -0.187 176.710 176.870 0.044 0.000 1.187 371 L CA 0.124 54.899 54.840 -0.108 0.000 0.895 371 L CB -0.035 41.960 42.059 -0.107 0.000 1.147 371 L HN 0.530 nan 8.230 nan 0.000 0.483 372 K N 5.938 126.326 120.400 -0.019 0.000 2.185 372 K HA 0.566 4.885 4.320 -0.001 0.000 0.271 372 K C -1.033 175.709 176.600 0.236 0.000 1.013 372 K CA -0.395 55.967 56.287 0.124 0.000 0.943 372 K CB 0.862 33.381 32.500 0.032 0.000 0.998 372 K HN 0.546 nan 8.250 nan 0.000 0.468 373 L N 1.720 123.203 121.223 0.433 0.000 2.434 373 L HA 0.429 4.768 4.340 -0.001 0.000 0.260 373 L C -0.749 176.351 176.870 0.384 0.000 0.983 373 L CA -0.929 54.169 54.840 0.432 0.000 0.820 373 L CB 2.240 44.466 42.059 0.279 0.000 1.361 373 L HN 0.537 nan 8.230 nan 0.000 0.410 374 K N 3.091 123.455 120.400 -0.059 0.000 2.244 374 K HA 0.431 4.751 4.320 -0.001 0.000 0.260 374 K C -1.084 175.358 176.600 -0.264 0.000 0.951 374 K CA -0.696 55.347 56.287 -0.406 0.000 0.826 374 K CB 2.089 33.839 32.500 -1.249 0.000 1.108 374 K HN 0.515 nan 8.250 nan 0.000 0.433 375 K N 3.060 123.320 120.400 -0.233 0.000 2.098 375 K HA 0.126 4.446 4.320 -0.001 0.000 0.261 375 K C -0.486 175.877 176.600 -0.395 0.000 0.987 375 K CA -0.587 55.344 56.287 -0.594 0.000 0.916 375 K CB 0.788 32.897 32.500 -0.652 0.000 1.039 375 K HN 0.584 nan 8.250 nan 0.000 0.455 376 N N 0.717 119.158 118.700 -0.431 0.000 2.447 376 N HA 0.080 4.820 4.740 -0.001 0.000 0.263 376 N C 0.529 175.925 175.510 -0.191 0.000 1.226 376 N CA 1.816 54.706 53.050 -0.267 0.000 0.906 376 N CB 0.640 38.983 38.487 -0.241 0.000 1.060 376 N HN 0.800 nan 8.380 nan 0.000 0.468 377 G N 1.715 110.432 108.800 -0.139 0.000 2.218 377 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.216 377 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.216 377 G C -0.558 174.293 174.900 -0.081 0.000 0.994 377 G CA -0.320 44.723 45.100 -0.095 0.000 0.637 377 G HN 0.580 nan 8.290 nan 0.000 0.505 378 D N 0.171 120.511 120.400 -0.100 0.000 2.193 378 D HA 0.483 5.123 4.640 -0.001 0.000 0.249 378 D C 0.971 177.213 176.300 -0.097 0.000 1.034 378 D CA -0.750 53.202 54.000 -0.080 0.000 0.902 378 D CB 0.905 41.667 40.800 -0.062 0.000 1.182 378 D HN -0.020 nan 8.370 nan 0.000 0.436 379 N N 0.769 119.430 118.700 -0.065 0.000 2.422 379 N HA -0.025 4.714 4.740 -0.001 0.000 0.181 379 N C -0.503 174.982 175.510 -0.041 0.000 1.080 379 N CA 0.421 53.441 53.050 -0.051 0.000 0.893 379 N CB 0.414 38.887 38.487 -0.023 0.000 0.973 379 N HN 0.537 nan 8.380 nan 0.000 0.456 380 D N -1.404 118.965 120.400 -0.052 0.000 2.581 380 D HA 0.173 4.812 4.640 -0.001 0.000 0.232 380 D C -0.838 175.443 176.300 -0.032 0.000 1.143 380 D CA -0.705 53.304 54.000 0.016 0.000 0.881 380 D CB -0.002 40.827 40.800 0.047 0.000 1.500 380 D HN -0.223 nan 8.370 nan 0.000 0.458 381 F N 0.829 120.802 119.950 0.039 0.000 2.494 381 F HA 0.256 4.783 4.527 -0.001 0.000 0.351 381 F C 1.852 177.683 175.800 0.053 0.000 1.205 381 F CA -0.248 57.796 58.000 0.073 0.000 1.125 381 F CB 0.475 39.514 39.000 0.065 0.000 1.268 381 F HN 0.096 nan 8.300 nan 0.000 0.593 382 R N 1.945 122.512 120.500 0.111 0.000 2.334 382 R HA 0.128 4.468 4.340 -0.001 0.000 0.216 382 R C -0.741 175.381 176.300 -0.297 0.000 0.905 382 R CA 0.189 56.200 56.100 -0.148 0.000 1.064 382 R CB 0.325 30.394 30.300 -0.384 0.000 1.046 382 R HN 0.454 nan 8.270 nan 0.000 0.508 383 Y N -0.558 119.843 120.300 0.168 0.000 2.570 383 Y HA 0.336 4.886 4.550 -0.001 0.000 0.345 383 Y C 0.538 176.541 175.900 0.171 0.000 1.014 383 Y CA -0.964 57.231 58.100 0.160 0.000 1.063 383 Y CB 2.046 40.607 38.460 0.167 0.000 1.272 383 Y HN -0.162 nan 8.280 nan 0.000 0.477 384 T N -2.084 112.661 114.554 0.319 0.000 2.906 384 T HA 0.692 5.042 4.350 -0.001 0.000 0.295 384 T C -1.426 173.371 174.700 0.161 0.000 1.075 384 T CA -0.932 61.304 62.100 0.226 0.000 1.005 384 T CB 1.368 70.340 68.868 0.173 0.000 1.136 384 T HN 0.319 nan 8.240 nan 0.000 0.498 385 V N 3.368 123.371 119.914 0.149 0.000 2.318 385 V HA 0.452 4.571 4.120 -0.001 0.000 0.271 385 V C 0.469 176.645 176.094 0.135 0.000 1.030 385 V CA -0.829 61.536 62.300 0.109 0.000 0.844 385 V CB 0.331 32.223 31.823 0.115 0.000 1.015 385 V HN 0.753 nan 8.190 nan 0.000 0.460 386 R N 2.542 123.042 120.500 -0.000 0.000 2.523 386 R HA 0.483 4.822 4.340 -0.001 0.000 0.223 386 R C -0.001 176.331 176.300 0.052 0.000 1.280 386 R CA -0.960 55.080 56.100 -0.100 0.000 1.047 386 R CB 0.397 30.503 30.300 -0.323 0.000 1.650 386 R HN 0.570 nan 8.270 nan 0.000 0.545 387 E N 1.094 121.313 120.200 0.033 0.000 2.413 387 E HA 0.023 4.373 4.350 -0.001 0.000 0.263 387 E C -0.232 176.376 176.600 0.012 0.000 1.015 387 E CA 0.447 56.875 56.400 0.048 0.000 0.916 387 E CB -0.071 29.643 29.700 0.023 0.000 0.947 387 E HN 0.452 nan 8.360 nan 0.000 0.440 388 N N 1.606 120.314 118.700 0.013 0.000 2.714 388 N HA -0.241 4.498 4.740 -0.001 0.000 0.250 388 N C 0.477 175.980 175.510 -0.012 0.000 1.117 388 N CA 0.347 53.395 53.050 -0.003 0.000 0.719 388 N CB -1.130 37.353 38.487 -0.007 0.000 1.081 388 N HN 0.808 nan 8.380 nan 0.000 0.557 389 G N -1.676 107.120 108.800 -0.007 0.000 2.203 389 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.263 389 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.263 389 G C 0.123 175.010 174.900 -0.022 0.000 1.012 389 G CA 0.268 45.355 45.100 -0.022 0.000 0.749 389 G HN 0.471 nan 8.290 nan 0.000 0.512 390 V N 0.847 120.757 119.914 -0.007 0.000 2.470 390 V HA 0.278 4.397 4.120 -0.001 0.000 0.276 390 V C 1.153 177.259 176.094 0.020 0.000 1.040 390 V CA -0.399 61.904 62.300 0.004 0.000 1.008 390 V CB 1.546 33.379 31.823 0.018 0.000 0.990 390 V HN 0.261 nan 8.190 nan 0.000 0.477 391 V N 6.954 126.860 119.914 -0.014 0.000 2.415 391 V HA 0.137 4.257 4.120 -0.001 0.000 0.267 391 V C -0.308 175.874 176.094 0.147 0.000 1.042 391 V CA -0.132 62.148 62.300 -0.034 0.000 1.000 391 V CB -0.222 31.394 31.823 -0.346 0.000 1.015 391 V HN 0.743 nan 8.190 nan 0.000 0.478 392 Y N 5.140 125.490 120.300 0.084 0.000 2.377 392 Y HA 0.463 5.012 4.550 -0.001 0.000 0.339 392 Y C 0.300 176.315 175.900 0.192 0.000 1.011 392 Y CA -0.888 57.272 58.100 0.100 0.000 1.093 392 Y CB 1.377 39.832 38.460 -0.010 0.000 1.201 392 Y HN 0.616 nan 8.280 nan 0.000 0.455 393 N N 5.060 123.577 118.700 -0.304 0.000 2.406 393 N HA 0.037 4.776 4.740 -0.001 0.000 0.251 393 N C 0.444 175.661 175.510 -0.488 0.000 1.069 393 N CA 0.127 52.937 53.050 -0.399 0.000 0.947 393 N CB 0.907 39.220 38.487 -0.291 0.000 1.111 393 N HN 0.815 nan 8.380 nan 0.000 0.497 394 E N 2.039 122.090 120.200 -0.249 0.000 2.150 394 E HA -0.089 4.261 4.350 -0.001 0.000 0.193 394 E C 1.007 177.544 176.600 -0.104 0.000 0.985 394 E CA 1.199 57.563 56.400 -0.060 0.000 0.814 394 E CB -0.049 29.667 29.700 0.027 0.000 0.752 394 E HN 0.611 nan 8.360 nan 0.000 0.466 395 T N 0.555 115.002 114.554 -0.177 0.000 2.777 395 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 395 T C 1.932 176.563 174.700 -0.115 0.000 1.040 395 T CA 1.974 63.997 62.100 -0.129 0.000 1.141 395 T CB -0.156 68.624 68.868 -0.146 0.000 0.868 395 T HN 0.359 nan 8.240 nan 0.000 0.444 396 T N -1.559 112.897 114.554 -0.163 0.000 3.054 396 T HA 0.232 4.581 4.350 -0.001 0.000 0.255 396 T C 0.680 175.283 174.700 -0.161 0.000 1.035 396 T CA 0.059 62.080 62.100 -0.131 0.000 0.941 396 T CB -0.497 68.304 68.868 -0.112 0.000 1.026 396 T HN 0.394 nan 8.240 nan 0.000 0.533 397 N N 0.747 119.304 118.700 -0.238 0.000 2.681 397 N HA -0.155 4.585 4.740 -0.001 0.000 0.250 397 N C -0.687 174.587 175.510 -0.393 0.000 1.133 397 N CA 0.906 53.804 53.050 -0.253 0.000 0.732 397 N CB -0.715 37.782 38.487 0.017 0.000 1.107 397 N HN 0.559 nan 8.380 nan 0.000 0.559 398 K N 0.152 120.256 120.400 -0.494 0.000 2.208 398 K HA 0.456 4.776 4.320 -0.001 0.000 0.247 398 K C -2.574 173.800 176.600 -0.377 0.000 0.953 398 K CA -1.728 54.381 56.287 -0.297 0.000 0.837 398 K CB 1.774 34.196 32.500 -0.130 0.000 1.131 398 K HN -0.117 nan 8.250 nan 0.000 0.431 399 P HA 0.044 nan 4.420 nan 0.000 0.284 399 P C -0.314 177.007 177.300 0.035 0.000 1.253 399 P CA -0.266 62.865 63.100 0.052 0.000 0.800 399 P CB 0.887 32.673 31.700 0.142 0.000 0.961 400 T N -1.064 113.538 114.554 0.080 0.000 2.810 400 T HA 0.189 4.539 4.350 -0.001 0.000 0.277 400 T C 0.980 175.673 174.700 -0.012 0.000 0.973 400 T CA -0.380 61.770 62.100 0.083 0.000 0.949 400 T CB 0.097 69.100 68.868 0.226 0.000 1.075 400 T HN 0.209 nan 8.240 nan 0.000 0.537 401 N N -1.062 117.554 118.700 -0.139 0.000 2.449 401 N HA 0.108 4.847 4.740 -0.001 0.000 0.191 401 N C -1.121 174.173 175.510 -0.360 0.000 1.161 401 N CA -0.148 52.743 53.050 -0.265 0.000 0.863 401 N CB -0.515 37.768 38.487 -0.340 0.000 0.980 401 N HN 0.578 nan 8.380 nan 0.000 0.458 402 Y N -0.701 119.557 120.300 -0.071 0.000 2.420 402 Y HA 0.446 4.995 4.550 -0.001 0.000 0.334 402 Y C 0.794 176.599 175.900 -0.159 0.000 1.094 402 Y CA -0.896 57.126 58.100 -0.130 0.000 1.126 402 Y CB 1.582 39.889 38.460 -0.255 0.000 1.217 402 Y HN -0.120 nan 8.280 nan 0.000 0.462 403 T N -0.041 114.533 114.554 0.032 0.000 2.896 403 T HA 0.702 5.051 4.350 -0.001 0.000 0.297 403 T C -1.204 173.464 174.700 -0.052 0.000 1.108 403 T CA -0.892 61.190 62.100 -0.030 0.000 1.004 403 T CB 1.548 70.404 68.868 -0.021 0.000 1.159 403 T HN 0.299 nan 8.240 nan 0.000 0.499 404 I N 3.682 124.210 120.570 -0.070 0.000 2.378 404 I HA 0.379 4.549 4.170 -0.001 0.000 0.291 404 I C 0.320 176.378 176.117 -0.098 0.000 0.992 404 I CA -0.868 60.386 61.300 -0.077 0.000 1.154 404 I CB 1.057 39.011 38.000 -0.076 0.000 1.315 404 I HN 0.895 nan 8.210 nan 0.000 0.448 405 N N 5.470 124.111 118.700 -0.099 0.000 2.366 405 N HA 0.039 4.778 4.740 -0.001 0.000 0.277 405 N C 0.645 176.024 175.510 -0.219 0.000 1.275 405 N CA -0.313 52.668 53.050 -0.115 0.000 0.964 405 N CB 0.426 38.874 38.487 -0.066 0.000 1.167 405 N HN 0.576 nan 8.380 nan 0.000 0.568 406 D N -1.009 119.277 120.400 -0.191 0.000 2.310 406 D HA -0.154 4.485 4.640 -0.001 0.000 0.212 406 D C 0.277 176.375 176.300 -0.336 0.000 0.965 406 D CA 1.072 54.917 54.000 -0.259 0.000 0.879 406 D CB -0.110 40.607 40.800 -0.139 0.000 0.921 406 D HN 0.602 nan 8.370 nan 0.000 0.510 407 K N -0.522 119.747 120.400 -0.218 0.000 2.387 407 K HA 0.024 4.344 4.320 -0.001 0.000 0.198 407 K C -0.383 176.229 176.600 0.019 0.000 1.022 407 K CA -0.398 55.812 56.287 -0.127 0.000 1.128 407 K CB -0.049 32.433 32.500 -0.030 0.000 0.853 407 K HN 0.029 nan 8.250 nan 0.000 0.523 408 Y N 0.538 120.798 120.300 -0.067 0.000 4.272 408 Y HA -0.280 4.269 4.550 -0.000 0.000 0.232 408 Y C -0.377 175.523 175.900 -0.001 0.000 1.149 408 Y CA 0.366 58.476 58.100 0.017 0.000 1.961 408 Y CB -2.474 36.081 38.460 0.158 0.000 1.611 408 Y HN 0.228 nan 8.280 nan 0.000 0.682 409 E N -0.421 119.803 120.200 0.041 0.000 2.222 409 E HA 0.630 4.980 4.350 -0.001 0.000 0.272 409 E C -0.416 176.189 176.600 0.009 0.000 0.982 409 E CA -1.084 55.328 56.400 0.020 0.000 0.842 409 E CB 2.125 31.841 29.700 0.028 0.000 1.144 409 E HN -0.002 nan 8.360 nan 0.000 0.397 410 V N 3.217 123.145 119.914 0.024 0.000 2.439 410 V HA 0.248 4.368 4.120 -0.001 0.000 0.282 410 V C -0.428 175.707 176.094 0.067 0.000 1.039 410 V CA -0.597 61.723 62.300 0.033 0.000 0.913 410 V CB 0.629 32.486 31.823 0.056 0.000 0.983 410 V HN 0.436 nan 8.190 nan 0.000 0.460 411 L N 4.014 125.282 121.223 0.074 0.000 2.342 411 L HA 0.584 4.924 4.340 -0.001 0.000 0.271 411 L C -0.054 176.906 176.870 0.151 0.000 1.008 411 L CA -0.093 54.798 54.840 0.084 0.000 0.818 411 L CB 1.817 43.897 42.059 0.035 0.000 1.296 411 L HN 0.739 nan 8.230 nan 0.000 0.427 412 E N 1.342 121.611 120.200 0.115 0.000 2.155 412 E HA 0.467 4.817 4.350 -0.001 0.000 0.264 412 E C 0.573 177.134 176.600 -0.066 0.000 0.886 412 E CA -0.178 56.231 56.400 0.015 0.000 0.752 412 E CB 1.090 30.831 29.700 0.068 0.000 1.133 412 E HN 0.790 nan 8.360 nan 0.000 0.414 413 G N 3.275 111.998 108.800 -0.128 0.000 2.321 413 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.287 413 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.287 413 G C 0.894 175.767 174.900 -0.045 0.000 1.018 413 G CA 0.557 45.603 45.100 -0.090 0.000 0.855 413 G HN 1.481 nan 8.290 nan 0.000 0.507 414 G N -1.408 107.376 108.800 -0.028 0.000 2.175 414 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.244 414 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.244 414 G C 0.279 175.179 174.900 -0.000 0.000 0.982 414 G CA 1.165 46.258 45.100 -0.012 0.000 0.641 414 G HN 1.385 nan 8.290 nan 0.000 0.527 415 K N 1.201 121.604 120.400 0.006 0.000 2.206 415 K HA 0.587 4.907 4.320 -0.001 0.000 0.264 415 K C -0.128 176.493 176.600 0.035 0.000 0.967 415 K CA -0.366 55.931 56.287 0.016 0.000 0.844 415 K CB 1.048 33.555 32.500 0.012 0.000 1.099 415 K HN 0.020 nan 8.250 nan 0.000 0.441 416 S N 4.627 120.348 115.700 0.034 0.000 2.465 416 S HA 0.160 4.630 4.470 -0.001 0.000 0.280 416 S C 0.306 174.939 174.600 0.054 0.000 1.232 416 S CA -0.444 57.783 58.200 0.045 0.000 1.066 416 S CB 0.002 63.226 63.200 0.040 0.000 0.929 416 S HN 0.425 nan 8.310 nan 0.000 0.494 417 L N 3.590 124.855 121.223 0.070 0.000 2.418 417 L HA 0.462 4.802 4.340 -0.001 0.000 0.265 417 L C 0.950 177.861 176.870 0.068 0.000 1.143 417 L CA -0.493 54.390 54.840 0.072 0.000 0.809 417 L CB 0.761 42.877 42.059 0.094 0.000 1.124 417 L HN 0.605 nan 8.230 nan 0.000 0.456 418 T N -0.842 113.746 114.554 0.057 0.000 2.916 418 T HA 0.745 5.095 4.350 -0.001 0.000 0.292 418 T C -0.445 174.285 174.700 0.050 0.000 1.055 418 T CA -0.773 61.362 62.100 0.059 0.000 1.009 418 T CB 1.998 70.887 68.868 0.035 0.000 1.118 418 T HN 0.470 nan 8.240 nan 0.000 0.497 419 V N -1.443 118.510 119.914 0.066 0.000 3.126 419 V HA 0.761 4.880 4.120 -0.001 0.000 0.314 419 V C -0.457 175.606 176.094 -0.051 0.000 1.138 419 V CA -1.259 61.056 62.300 0.025 0.000 1.034 419 V CB 1.639 33.532 31.823 0.117 0.000 1.075 419 V HN 1.171 nan 8.190 nan 0.000 0.442 420 E N 1.051 121.142 120.200 -0.181 0.000 2.249 420 E HA 0.310 4.659 4.350 -0.001 0.000 0.280 420 E C -0.293 176.166 176.600 -0.236 0.000 1.016 420 E CA -0.497 55.732 56.400 -0.286 0.000 0.830 420 E CB 1.367 30.706 29.700 -0.602 0.000 1.081 420 E HN 0.805 nan 8.360 nan 0.000 0.395 421 Q N 2.658 122.348 119.800 -0.182 0.000 2.394 421 Q HA 0.121 4.461 4.340 -0.001 0.000 0.248 421 Q C -1.279 174.530 176.000 -0.318 0.000 0.992 421 Q CA -0.122 55.572 55.803 -0.181 0.000 0.888 421 Q CB 0.587 29.259 28.738 -0.110 0.000 1.257 421 Q HN 0.515 nan 8.270 nan 0.000 0.462 422 Y N 0.030 120.087 120.300 -0.405 0.000 2.457 422 Y HA 0.402 4.952 4.550 -0.001 0.000 0.333 422 Y C 0.042 175.609 175.900 -0.555 0.000 1.119 422 Y CA -0.552 57.163 58.100 -0.642 0.000 1.143 422 Y CB 2.245 39.886 38.460 -1.365 0.000 1.230 422 Y HN 0.491 nan 8.280 nan 0.000 0.469 423 S N 1.018 116.609 115.700 -0.181 0.000 2.634 423 S HA 0.737 5.207 4.470 -0.001 0.000 0.296 423 S C -1.006 173.584 174.600 -0.018 0.000 1.104 423 S CA -0.900 57.259 58.200 -0.068 0.000 0.920 423 S CB 1.841 65.025 63.200 -0.026 0.000 1.111 423 S HN 0.524 nan 8.310 nan 0.000 0.493 424 V N -0.057 119.895 119.914 0.062 0.000 2.715 424 V HA 0.985 5.105 4.120 -0.001 0.000 0.310 424 V C -1.248 174.842 176.094 -0.007 0.000 1.054 424 V CA -0.908 61.417 62.300 0.042 0.000 0.928 424 V CB 1.427 33.335 31.823 0.142 0.000 1.007 424 V HN 1.055 nan 8.190 nan 0.000 0.437 425 D N 1.437 121.755 120.400 -0.137 0.000 2.599 425 D HA 0.501 5.141 4.640 -0.001 0.000 0.252 425 D C -0.914 175.186 176.300 -0.334 0.000 1.232 425 D CA -0.653 53.276 54.000 -0.119 0.000 0.819 425 D CB 1.624 42.410 40.800 -0.023 0.000 1.401 425 D HN 0.301 nan 8.370 nan 0.000 0.429 426 F N 0.102 120.011 119.950 -0.067 0.000 2.772 426 F HA 0.260 4.787 4.527 -0.001 0.000 0.302 426 F C 0.966 176.732 175.800 -0.057 0.000 1.136 426 F CA -0.526 57.414 58.000 -0.100 0.000 1.322 426 F CB 0.525 39.427 39.000 -0.163 0.000 0.967 426 F HN 0.275 nan 8.300 nan 0.000 0.513 427 D N -0.262 120.184 120.400 0.075 0.000 2.219 427 D HA -0.130 4.509 4.640 -0.001 0.000 0.205 427 D C 2.130 178.453 176.300 0.039 0.000 0.970 427 D CA 1.429 55.462 54.000 0.055 0.000 0.851 427 D CB -0.066 40.753 40.800 0.032 0.000 0.943 427 D HN 0.254 nan 8.370 nan 0.000 0.488 428 S N -1.418 114.296 115.700 0.024 0.000 2.597 428 S HA 0.393 4.863 4.470 -0.001 0.000 0.224 428 S C 1.576 176.192 174.600 0.028 0.000 0.955 428 S CA 0.435 58.644 58.200 0.015 0.000 0.933 428 S CB 0.553 63.751 63.200 -0.004 0.000 0.788 428 S HN 0.272 nan 8.310 nan 0.000 0.488 429 G N 0.924 109.760 108.800 0.059 0.000 2.241 429 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.244 429 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.244 429 G C 0.243 175.204 174.900 0.102 0.000 0.998 429 G CA 0.249 45.389 45.100 0.067 0.000 0.621 429 G HN 1.531 nan 8.290 nan 0.000 0.519 430 S N -0.785 114.968 115.700 0.089 0.000 2.740 430 S HA 0.813 5.283 4.470 -0.001 0.000 0.300 430 S C -0.513 174.038 174.600 -0.081 0.000 1.147 430 S CA -0.477 57.780 58.200 0.095 0.000 0.871 430 S CB 2.202 65.417 63.200 0.025 0.000 1.173 430 S HN 1.416 nan 8.310 nan 0.000 0.510 431 L N 1.666 122.732 121.223 -0.261 0.000 2.360 431 L HA 0.566 4.906 4.340 -0.001 0.000 0.276 431 L C 0.179 176.846 176.870 -0.338 0.000 1.121 431 L CA 0.247 54.684 54.840 -0.672 0.000 0.845 431 L CB 0.304 42.023 42.059 -0.566 0.000 1.143 431 L HN 0.856 nan 8.230 nan 0.000 0.452 432 R N 3.971 124.272 120.500 -0.332 0.000 2.621 432 R HA 0.513 4.853 4.340 -0.001 0.000 0.292 432 R C -1.235 174.992 176.300 -0.122 0.000 0.969 432 R CA -0.526 55.473 56.100 -0.168 0.000 0.887 432 R CB 1.231 31.458 30.300 -0.121 0.000 1.180 432 R HN 0.757 nan 8.270 nan 0.000 0.450 433 E N 4.530 124.690 120.200 -0.067 0.000 2.165 433 E HA 0.345 4.694 4.350 -0.001 0.000 0.266 433 E C -1.026 175.574 176.600 0.000 0.000 0.889 433 E CA -0.828 55.561 56.400 -0.019 0.000 0.756 433 E CB 1.918 31.631 29.700 0.020 0.000 1.131 433 E HN 0.566 nan 8.360 nan 0.000 0.411 434 R N 1.150 121.670 120.500 0.032 0.000 2.668 434 R HA 0.407 4.746 4.340 -0.001 0.000 0.272 434 R C -0.968 175.268 176.300 -0.107 0.000 1.019 434 R CA -0.954 55.149 56.100 0.004 0.000 0.894 434 R CB 0.821 31.102 30.300 -0.032 0.000 1.228 434 R HN 0.456 nan 8.270 nan 0.000 0.460 435 H N 1.337 120.272 119.070 -0.225 0.000 3.094 435 H HA -0.037 4.519 4.556 -0.001 0.000 0.320 435 H C 0.402 175.593 175.328 -0.228 0.000 1.000 435 H CA 0.648 56.453 56.048 -0.405 0.000 1.413 435 H CB 0.776 30.309 29.762 -0.382 0.000 1.405 435 H HN 0.747 nan 8.280 nan 0.000 0.586 436 N N 1.757 120.407 118.700 -0.084 0.000 2.187 436 N HA 0.105 4.845 4.740 -0.001 0.000 0.212 436 N C 1.150 176.621 175.510 -0.066 0.000 1.152 436 N CA 0.257 53.266 53.050 -0.067 0.000 0.872 436 N CB 0.964 39.410 38.487 -0.068 0.000 1.025 436 N HN 0.804 nan 8.380 nan 0.000 0.514 437 G N 0.019 108.764 108.800 -0.092 0.000 2.176 437 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.253 437 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.253 437 G C -0.197 174.652 174.900 -0.085 0.000 0.979 437 G CA 0.364 45.409 45.100 -0.092 0.000 0.641 437 G HN 0.643 nan 8.290 nan 0.000 0.530 438 K N 0.705 121.053 120.400 -0.086 0.000 2.185 438 K HA 0.508 4.828 4.320 -0.001 0.000 0.269 438 K C -0.143 176.416 176.600 -0.068 0.000 0.987 438 K CA -0.733 55.518 56.287 -0.060 0.000 0.865 438 K CB 0.562 33.038 32.500 -0.040 0.000 1.090 438 K HN 0.054 nan 8.250 nan 0.000 0.450 439 Q N 2.575 122.350 119.800 -0.042 0.000 2.243 439 Q HA 0.301 4.641 4.340 -0.001 0.000 0.252 439 Q C -0.390 175.617 176.000 0.012 0.000 0.909 439 Q CA -0.604 55.182 55.803 -0.029 0.000 0.922 439 Q CB 1.738 30.462 28.738 -0.023 0.000 1.215 439 Q HN 0.542 nan 8.270 nan 0.000 0.427 440 V N -0.663 119.275 119.914 0.040 0.000 2.962 440 V HA 0.662 4.782 4.120 -0.001 0.000 0.313 440 V C -2.739 173.444 176.094 0.148 0.000 1.099 440 V CA -3.024 59.336 62.300 0.100 0.000 0.971 440 V CB 1.865 33.761 31.823 0.121 0.000 1.028 440 V HN 0.469 nan 8.190 nan 0.000 0.430 441 P HA 0.083 nan 4.420 nan 0.000 0.264 441 P C -0.206 177.217 177.300 0.205 0.000 1.183 441 P CA 0.223 63.416 63.100 0.154 0.000 0.763 441 P CB 0.216 31.997 31.700 0.136 0.000 0.807 442 M N 4.337 124.022 119.600 0.141 0.000 2.292 442 M HA 0.061 4.541 4.480 -0.001 0.000 0.342 442 M C -0.060 176.237 176.300 -0.006 0.000 1.538 442 M CA 0.319 55.698 55.300 0.131 0.000 1.163 442 M CB -0.312 32.348 32.600 0.100 0.000 1.823 442 M HN 0.258 nan 8.290 nan 0.000 0.462 443 N N 3.874 122.414 118.700 -0.268 0.000 2.405 443 N HA 0.223 4.963 4.740 -0.001 0.000 0.299 443 N C 0.627 175.949 175.510 -0.313 0.000 1.075 443 N CA -0.387 52.378 53.050 -0.476 0.000 0.884 443 N CB 1.885 39.664 38.487 -1.180 0.000 1.194 443 N HN 0.638 nan 8.380 nan 0.000 0.491 444 V N 1.184 121.046 119.914 -0.087 0.000 3.141 444 V HA 0.052 4.171 4.120 -0.001 0.000 0.265 444 V C 1.244 177.207 176.094 -0.218 0.000 1.126 444 V CA 1.099 63.346 62.300 -0.089 0.000 1.141 444 V CB -1.194 30.592 31.823 -0.062 0.000 0.743 444 V HN 0.501 nan 8.190 nan 0.000 0.492 445 F N -1.049 118.749 119.950 -0.253 0.000 2.797 445 F HA 0.350 4.877 4.527 -0.001 0.000 0.302 445 F C 0.933 176.649 175.800 -0.139 0.000 1.130 445 F CA -0.303 57.529 58.000 -0.280 0.000 1.387 445 F CB 0.050 38.743 39.000 -0.511 0.000 1.107 445 F HN 0.137 nan 8.300 nan 0.000 0.577 446 Y N 0.687 120.951 120.300 -0.061 0.000 2.335 446 Y HA 0.208 4.757 4.550 -0.001 0.000 0.323 446 Y C 1.610 177.501 175.900 -0.014 0.000 1.224 446 Y CA -1.907 56.166 58.100 -0.045 0.000 1.241 446 Y CB 0.639 39.115 38.460 0.027 0.000 1.235 446 Y HN -0.155 nan 8.280 nan 0.000 0.492 447 K N 0.370 120.873 120.400 0.171 0.000 2.057 447 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 447 K C 0.091 176.768 176.600 0.128 0.000 1.049 447 K CA 1.919 58.265 56.287 0.098 0.000 0.931 447 K CB 0.064 32.589 32.500 0.043 0.000 0.714 447 K HN 0.633 nan 8.250 nan 0.000 0.440 448 D N 0.612 121.136 120.400 0.206 0.000 2.328 448 D HA -0.007 4.633 4.640 -0.001 0.000 0.226 448 D C 0.134 176.499 176.300 0.109 0.000 1.066 448 D CA 0.211 54.314 54.000 0.172 0.000 0.861 448 D CB 0.383 41.316 40.800 0.223 0.000 0.912 448 D HN 0.027 nan 8.370 nan 0.000 0.521 449 S N 0.449 116.214 115.700 0.109 0.000 2.564 449 S HA 0.056 4.526 4.470 -0.001 0.000 0.278 449 S C 1.145 175.714 174.600 -0.052 0.000 1.333 449 S CA -0.648 57.584 58.200 0.053 0.000 1.048 449 S CB 0.725 63.959 63.200 0.056 0.000 0.900 449 S HN 0.085 nan 8.310 nan 0.000 0.505 450 L N 5.165 126.326 121.223 -0.103 0.000 2.141 450 L HA 0.352 4.692 4.340 -0.001 0.000 0.209 450 L C -0.393 176.127 176.870 -0.583 0.000 1.094 450 L CA 1.624 56.275 54.840 -0.315 0.000 0.763 450 L CB -0.239 41.616 42.059 -0.341 0.000 0.908 450 L HN 0.656 nan 8.230 nan 0.000 0.437 451 F N 0.214 120.030 119.950 -0.223 0.000 2.493 451 F HA 0.493 5.019 4.527 -0.000 0.000 0.329 451 F C 0.144 175.851 175.800 -0.156 0.000 1.126 451 F CA -0.722 57.140 58.000 -0.230 0.000 0.937 451 F CB 1.319 40.151 39.000 -0.280 0.000 1.146 451 F HN -0.284 nan 8.300 nan 0.000 0.442 452 K N 2.577 122.981 120.400 0.006 0.000 2.318 452 K HA 0.708 5.028 4.320 -0.001 0.000 0.249 452 K C -0.871 175.773 176.600 0.074 0.000 0.942 452 K CA -1.141 55.134 56.287 -0.020 0.000 0.808 452 K CB 2.841 35.307 32.500 -0.056 0.000 1.189 452 K HN 0.455 nan 8.250 nan 0.000 0.428 453 V N -1.054 118.826 119.914 -0.056 0.000 3.083 453 V HA 0.297 4.417 4.120 -0.001 0.000 0.306 453 V C 0.192 176.387 176.094 0.168 0.000 1.077 453 V CA -0.555 61.710 62.300 -0.058 0.000 1.073 453 V CB 1.109 32.582 31.823 -0.583 0.000 1.081 453 V HN 0.725 nan 8.190 nan 0.000 0.474 454 T N 4.680 119.253 114.554 0.032 0.000 2.905 454 T HA 0.161 4.510 4.350 -0.001 0.000 0.299 454 T C -2.133 172.588 174.700 0.034 0.000 1.024 454 T CA 0.124 62.136 62.100 -0.147 0.000 1.151 454 T CB 0.198 68.826 68.868 -0.400 0.000 0.987 454 T HN 0.865 nan 8.240 nan 0.000 0.535 455 P HA 0.203 nan 4.420 nan 0.000 0.244 455 P C -0.345 176.954 177.300 -0.002 0.000 1.769 455 P CA 0.083 63.213 63.100 0.050 0.000 1.102 455 P CB 0.026 31.759 31.700 0.055 0.000 1.937 456 T N 1.437 115.985 114.554 -0.011 0.000 2.754 456 T HA 0.336 4.685 4.350 -0.001 0.000 0.296 456 T C -1.119 173.482 174.700 -0.165 0.000 1.205 456 T CA -0.792 61.224 62.100 -0.139 0.000 1.009 456 T CB 1.087 69.792 68.868 -0.273 0.000 1.368 456 T HN 0.228 nan 8.240 nan 0.000 0.509 457 N N 1.367 119.932 118.700 -0.226 0.000 2.498 457 N HA 0.370 5.109 4.740 -0.001 0.000 0.287 457 N C -1.389 173.928 175.510 -0.322 0.000 1.097 457 N CA -0.234 52.745 53.050 -0.118 0.000 0.973 457 N CB 0.975 39.456 38.487 -0.010 0.000 1.153 457 N HN 0.578 nan 8.380 nan 0.000 0.472 458 Y N -0.080 120.241 120.300 0.034 0.000 2.633 458 Y HA 0.602 5.152 4.550 -0.000 0.000 0.339 458 Y C 0.114 176.013 175.900 -0.001 0.000 1.045 458 Y CA -1.108 57.023 58.100 0.052 0.000 1.098 458 Y CB 1.899 40.447 38.460 0.147 0.000 1.296 458 Y HN 0.301 nan 8.280 nan 0.000 0.494 459 I N 1.445 122.111 120.570 0.160 0.000 2.474 459 I HA 0.723 4.893 4.170 -0.001 0.000 0.294 459 I C -0.603 175.539 176.117 0.041 0.000 1.005 459 I CA -0.759 60.562 61.300 0.034 0.000 1.113 459 I CB 1.778 39.741 38.000 -0.061 0.000 1.289 459 I HN 0.675 nan 8.210 nan 0.000 0.436 460 A N 7.005 129.807 122.820 -0.030 0.000 2.384 460 A HA 0.978 5.297 4.320 -0.001 0.000 0.312 460 A C -0.630 176.911 177.584 -0.072 0.000 1.113 460 A CA -0.696 51.341 52.037 -0.000 0.000 0.779 460 A CB 1.867 20.833 19.000 -0.057 0.000 1.307 460 A HN 0.791 nan 8.150 nan 0.000 0.436 461 M N 0.306 119.922 119.600 0.027 0.000 2.530 461 M HA 0.786 5.265 4.480 -0.001 0.000 0.307 461 M C -0.569 175.803 176.300 0.120 0.000 1.161 461 M CA -0.256 55.052 55.300 0.012 0.000 0.903 461 M CB 2.158 34.789 32.600 0.050 0.000 1.711 461 M HN 0.617 nan 8.290 nan 0.000 0.451 462 T N 0.855 115.462 114.554 0.087 0.000 2.916 462 T HA 0.851 5.200 4.350 -0.001 0.000 0.292 462 T C -0.859 174.035 174.700 0.323 0.000 1.064 462 T CA -0.198 62.020 62.100 0.198 0.000 1.011 462 T CB 1.846 70.801 68.868 0.145 0.000 1.152 462 T HN 0.986 nan 8.240 nan 0.000 0.510 463 T N -0.351 114.437 114.554 0.390 0.000 2.907 463 T HA 0.712 5.061 4.350 -0.001 0.000 0.292 463 T C -0.620 174.267 174.700 0.312 0.000 1.043 463 T CA -0.821 61.508 62.100 0.382 0.000 1.003 463 T CB 1.615 70.619 68.868 0.227 0.000 1.084 463 T HN 0.555 nan 8.240 nan 0.000 0.483 464 S N 0.430 116.154 115.700 0.039 0.000 2.482 464 S HA 0.395 4.865 4.470 -0.001 0.000 0.303 464 S C 0.184 174.680 174.600 -0.174 0.000 1.091 464 S CA -0.552 57.457 58.200 -0.318 0.000 1.057 464 S CB 1.792 64.355 63.200 -1.061 0.000 1.031 464 S HN 0.845 nan 8.310 nan 0.000 0.485 465 Q N 2.856 122.571 119.800 -0.141 0.000 2.219 465 Q HA 0.282 4.621 4.340 -0.001 0.000 0.209 465 Q C -0.053 175.875 176.000 -0.120 0.000 0.854 465 Q CA 0.440 56.189 55.803 -0.091 0.000 0.960 465 Q CB 0.066 28.778 28.738 -0.044 0.000 1.116 465 Q HN 0.762 nan 8.270 nan 0.000 0.500 466 N N -0.898 117.689 118.700 -0.188 0.000 2.517 466 N HA 0.184 4.923 4.740 -0.001 0.000 0.285 466 N C -0.995 174.356 175.510 -0.267 0.000 1.528 466 N CA -0.411 52.524 53.050 -0.191 0.000 0.892 466 N CB 0.181 38.568 38.487 -0.166 0.000 1.356 466 N HN 0.095 nan 8.380 nan 0.000 0.495 467 R N 0.070 120.412 120.500 -0.262 0.000 3.416 467 R HA -0.175 4.164 4.340 -0.001 0.000 0.263 467 R C 0.702 176.786 176.300 -0.360 0.000 1.053 467 R CA 0.771 56.712 56.100 -0.265 0.000 0.705 467 R CB -2.059 28.110 30.300 -0.218 0.000 1.124 467 R HN 0.718 nan 8.270 nan 0.000 0.444 468 G N -0.941 107.558 108.800 -0.501 0.000 2.176 468 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.232 468 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.232 468 G C 0.586 175.350 174.900 -0.226 0.000 0.986 468 G CA 0.348 45.182 45.100 -0.444 0.000 0.643 468 G HN 0.521 nan 8.290 nan 0.000 0.522 469 E N 0.163 120.199 120.200 -0.272 0.000 2.152 469 E HA 0.208 4.557 4.350 -0.001 0.000 0.192 469 E C 1.384 177.945 176.600 -0.065 0.000 0.983 469 E CA 1.129 57.491 56.400 -0.062 0.000 0.818 469 E CB 0.081 29.721 29.700 -0.100 0.000 0.758 469 E HN 0.801 nan 8.360 nan 0.000 0.467 470 S N -1.250 114.319 115.700 -0.219 0.000 2.607 470 S HA 0.532 5.002 4.470 -0.001 0.000 0.273 470 S C -1.746 172.663 174.600 -0.318 0.000 1.148 470 S CA -1.108 57.015 58.200 -0.130 0.000 0.833 470 S CB 0.892 64.084 63.200 -0.014 0.000 1.130 470 S HN 0.191 nan 8.310 nan 0.000 0.470 471 W N 0.589 121.938 121.300 0.081 0.000 2.819 471 W HA 0.583 5.243 4.660 -0.000 0.000 0.337 471 W C -0.135 176.427 176.519 0.071 0.000 1.077 471 W CA -0.469 56.922 57.345 0.076 0.000 1.226 471 W CB 1.426 30.933 29.460 0.079 0.000 1.419 471 W HN 0.572 nan 8.180 nan 0.000 0.502 472 E N 1.093 121.481 120.200 0.314 0.000 2.371 472 E HA 0.056 4.406 4.350 -0.001 0.000 0.257 472 E C -0.169 176.549 176.600 0.196 0.000 1.134 472 E CA -0.738 55.783 56.400 0.202 0.000 0.919 472 E CB 0.491 30.287 29.700 0.161 0.000 1.025 472 E HN 0.317 nan 8.360 nan 0.000 0.438 473 Q N 1.281 121.152 119.800 0.118 0.000 2.304 473 Q HA 0.011 4.351 4.340 -0.001 0.000 0.301 473 Q C -0.835 175.208 176.000 0.072 0.000 1.063 473 Q CA 0.175 56.008 55.803 0.050 0.000 0.947 473 Q CB -0.210 28.510 28.738 -0.029 0.000 1.201 473 Q HN 0.364 nan 8.270 nan 0.000 0.389 474 F N 1.420 121.420 119.950 0.083 0.000 2.410 474 F HA 0.538 5.064 4.527 -0.001 0.000 0.334 474 F C -0.159 175.768 175.800 0.211 0.000 1.134 474 F CA -0.686 57.362 58.000 0.081 0.000 1.227 474 F CB 0.735 39.708 39.000 -0.045 0.000 1.194 474 F HN 0.454 nan 8.300 nan 0.000 0.571 475 K N 3.697 124.349 120.400 0.420 0.000 2.378 475 K HA 0.491 4.811 4.320 -0.001 0.000 0.252 475 K C -1.143 175.728 176.600 0.452 0.000 0.931 475 K CA -0.838 55.703 56.287 0.423 0.000 0.794 475 K CB 1.516 34.183 32.500 0.278 0.000 1.181 475 K HN 0.849 nan 8.250 nan 0.000 0.425 476 L N 5.024 126.542 121.223 0.491 0.000 2.453 476 L HA 0.135 4.474 4.340 -0.001 0.000 0.272 476 L C 0.326 177.354 176.870 0.263 0.000 1.182 476 L CA -0.260 54.799 54.840 0.365 0.000 0.858 476 L CB 0.189 42.504 42.059 0.427 0.000 1.120 476 L HN 0.486 nan 8.230 nan 0.000 0.474 477 L N 4.993 126.305 121.223 0.149 0.000 2.436 477 L HA 0.300 4.639 4.340 -0.001 0.000 0.265 477 L C -1.734 175.050 176.870 -0.144 0.000 1.168 477 L CA -1.657 53.192 54.840 0.016 0.000 0.815 477 L CB 0.433 42.470 42.059 -0.036 0.000 1.109 477 L HN 0.446 nan 8.230 nan 0.000 0.462 478 P HA 0.291 nan 4.420 nan 0.000 0.276 478 P C -2.691 173.961 177.300 -1.080 0.000 1.261 478 P CA -1.701 60.850 63.100 -0.916 0.000 0.800 478 P CB -0.163 31.079 31.700 -0.762 0.000 1.066 479 P HA 0.187 nan 4.420 nan 0.000 0.271 479 P C -0.220 176.537 177.300 -0.905 0.000 1.218 479 P CA 0.140 62.729 63.100 -0.851 0.000 0.780 479 P CB 0.150 31.379 31.700 -0.786 0.000 0.901 480 F N 0.309 120.091 119.950 -0.280 0.000 2.694 480 F HA 0.261 4.787 4.527 -0.001 0.000 0.292 480 F C 1.412 177.111 175.800 -0.169 0.000 1.121 480 F CA 0.449 58.338 58.000 -0.184 0.000 1.352 480 F CB 0.084 39.000 39.000 -0.140 0.000 1.107 480 F HN 0.089 nan 8.300 nan 0.000 0.597 481 L N -0.087 121.075 121.223 -0.102 0.000 3.110 481 L HA 0.551 4.891 4.340 -0.001 0.000 0.266 481 L C 0.529 177.345 176.870 -0.090 0.000 1.257 481 L CA -0.176 54.551 54.840 -0.188 0.000 1.038 481 L CB -0.064 41.643 42.059 -0.586 0.000 1.395 481 L HN 0.188 nan 8.230 nan 0.000 0.566 482 G N 0.292 109.076 108.800 -0.026 0.000 2.655 482 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.680 482 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.680 482 G C 0.157 175.117 174.900 0.100 0.000 1.302 482 G CA -0.109 45.039 45.100 0.079 0.000 0.872 482 G HN 0.231 nan 8.290 nan 0.000 0.540 483 E N -0.283 120.022 120.200 0.175 0.000 2.106 483 E HA -0.073 4.277 4.350 -0.001 0.000 0.192 483 E C 1.903 178.569 176.600 0.109 0.000 0.984 483 E CA 1.360 57.874 56.400 0.189 0.000 0.806 483 E CB -0.003 29.809 29.700 0.187 0.000 0.750 483 E HN 0.321 nan 8.360 nan 0.000 0.458 484 K N 0.089 120.545 120.400 0.093 0.000 2.684 484 K HA 0.031 4.350 4.320 -0.001 0.000 0.215 484 K C -1.000 175.636 176.600 0.060 0.000 1.073 484 K CA -0.004 56.316 56.287 0.056 0.000 1.197 484 K CB 0.125 32.652 32.500 0.045 0.000 0.955 484 K HN 0.013 nan 8.250 nan 0.000 0.473 485 H N 0.919 119.967 119.070 -0.036 0.000 2.689 485 H HA 0.202 4.758 4.556 -0.001 0.000 0.346 485 H C -0.858 174.405 175.328 -0.109 0.000 1.037 485 H CA -0.875 55.136 56.048 -0.061 0.000 1.234 485 H CB 0.991 30.725 29.762 -0.047 0.000 1.572 485 H HN 0.344 nan 8.280 nan 0.000 0.524 486 N N 2.345 121.008 118.700 -0.062 0.000 2.340 486 N HA 0.018 4.758 4.740 -0.001 0.000 0.236 486 N C 0.575 176.060 175.510 -0.041 0.000 1.296 486 N CA 0.127 53.111 53.050 -0.110 0.000 0.896 486 N CB 0.515 38.880 38.487 -0.203 0.000 1.127 486 N HN 0.612 nan 8.380 nan 0.000 0.442 487 G N -0.471 108.202 108.800 -0.212 0.000 2.630 487 G HA2 0.242 4.202 3.960 -0.001 0.000 0.236 487 G HA3 0.242 4.202 3.960 -0.001 0.000 0.236 487 G C 0.423 175.110 174.900 -0.355 0.000 1.248 487 G CA 0.210 45.174 45.100 -0.226 0.000 0.844 487 G HN 0.936 nan 8.290 nan 0.000 0.588 488 T N -1.709 112.668 114.554 -0.294 0.000 2.754 488 T HA 0.405 4.755 4.350 -0.001 0.000 0.286 488 T C -0.629 173.745 174.700 -0.543 0.000 0.997 488 T CA -0.265 61.599 62.100 -0.393 0.000 0.982 488 T CB 0.809 69.528 68.868 -0.248 0.000 1.027 488 T HN 0.290 nan 8.240 nan 0.000 0.529 489 Y N 0.362 120.397 120.300 -0.443 0.000 2.331 489 Y HA 0.495 5.045 4.550 -0.001 0.000 0.338 489 Y C 0.234 175.867 175.900 -0.445 0.000 0.976 489 Y CA -1.642 56.130 58.100 -0.546 0.000 1.137 489 Y CB 1.027 38.925 38.460 -0.937 0.000 1.172 489 Y HN 0.638 nan 8.280 nan 0.000 0.478 490 L N 3.949 125.149 121.223 -0.039 0.000 2.490 490 L HA 0.152 4.492 4.340 -0.001 0.000 0.274 490 L C -0.471 176.486 176.870 0.145 0.000 1.201 490 L CA 0.094 54.938 54.840 0.007 0.000 0.869 490 L CB 0.031 42.076 42.059 -0.023 0.000 1.123 490 L HN 0.740 nan 8.230 nan 0.000 0.484 491 C N 7.457 126.868 119.300 0.185 0.000 2.482 491 C HA 0.333 4.793 4.460 -0.001 0.000 0.378 491 C C -1.895 173.219 174.990 0.206 0.000 1.284 491 C CA -1.069 58.092 59.018 0.238 0.000 1.826 491 C CB -0.481 27.374 27.740 0.192 0.000 2.473 491 C HN 0.642 nan 8.230 nan 0.000 0.562 492 P HA 0.487 nan 4.420 nan 0.000 0.275 492 P C 0.535 177.951 177.300 0.194 0.000 1.228 492 P CA 0.917 64.133 63.100 0.194 0.000 0.786 492 P CB 1.208 33.044 31.700 0.226 0.000 0.927 493 G N 2.602 111.529 108.800 0.212 0.000 2.214 493 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.200 493 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.200 493 G C -1.278 173.790 174.900 0.280 0.000 1.126 493 G CA -0.502 44.737 45.100 0.232 0.000 1.284 493 G HN 0.556 nan 8.290 nan 0.000 0.493 494 Q N 0.364 120.339 119.800 0.291 0.000 2.345 494 Q HA 0.575 4.915 4.340 -0.001 0.000 0.268 494 Q C 0.387 176.523 176.000 0.226 0.000 1.054 494 Q CA -0.393 55.608 55.803 0.331 0.000 0.835 494 Q CB 2.229 31.216 28.738 0.415 0.000 1.339 494 Q HN 0.871 nan 8.270 nan 0.000 0.447 495 G N 0.622 109.447 108.800 0.042 0.000 2.621 495 G HA2 0.443 4.403 3.960 -0.001 0.000 0.271 495 G HA3 0.443 4.403 3.960 -0.001 0.000 0.271 495 G C -1.305 173.539 174.900 -0.093 0.000 1.236 495 G CA -0.343 44.491 45.100 -0.443 0.000 0.958 495 G HN 0.383 nan 8.290 nan 0.000 0.512 496 L N 0.125 121.279 121.223 -0.116 0.000 2.333 496 L HA 0.731 5.071 4.340 -0.001 0.000 0.280 496 L C 0.153 177.043 176.870 0.034 0.000 1.004 496 L CA -0.742 54.128 54.840 0.051 0.000 0.820 496 L CB 1.563 43.681 42.059 0.098 0.000 1.247 496 L HN 0.630 nan 8.230 nan 0.000 0.416 497 A N 5.395 128.276 122.820 0.102 0.000 2.253 497 A HA 0.607 4.927 4.320 -0.001 0.000 0.316 497 A C -0.826 176.803 177.584 0.074 0.000 1.327 497 A CA -0.561 51.529 52.037 0.088 0.000 0.917 497 A CB 0.053 19.135 19.000 0.136 0.000 1.162 497 A HN 0.590 nan 8.150 nan 0.000 0.535 498 L N 2.524 123.775 121.223 0.048 0.000 2.453 498 L HA 0.120 4.460 4.340 -0.001 0.000 0.272 498 L C 1.638 178.526 176.870 0.030 0.000 1.182 498 L CA 0.683 55.542 54.840 0.033 0.000 0.858 498 L CB 0.102 42.169 42.059 0.014 0.000 1.120 498 L HN 0.810 nan 8.230 nan 0.000 0.474 499 K N 1.063 121.479 120.400 0.025 0.000 2.097 499 K HA -0.073 4.247 4.320 -0.001 0.000 0.206 499 K C 1.296 177.904 176.600 0.013 0.000 1.049 499 K CA 1.458 57.758 56.287 0.021 0.000 0.933 499 K CB 0.065 32.575 32.500 0.016 0.000 0.717 499 K HN 0.569 nan 8.250 nan 0.000 0.442 500 S N 0.239 115.941 115.700 0.005 0.000 2.556 500 S HA 0.045 4.515 4.470 -0.001 0.000 0.216 500 S C 0.253 174.852 174.600 -0.002 0.000 0.970 500 S CA -0.137 58.062 58.200 -0.001 0.000 0.912 500 S CB 0.307 63.502 63.200 -0.008 0.000 0.790 500 S HN 0.360 nan 8.310 nan 0.000 0.504 501 S N 0.503 116.203 115.700 0.001 0.000 2.880 501 S HA 0.410 4.879 4.470 -0.001 0.000 0.308 501 S C -0.486 174.116 174.600 0.003 0.000 1.195 501 S CA -0.829 57.370 58.200 -0.002 0.000 0.866 501 S CB 0.523 63.718 63.200 -0.009 0.000 1.254 501 S HN 0.057 nan 8.310 nan 0.000 0.571 502 N N 0.359 119.056 118.700 -0.004 0.000 2.276 502 N HA 0.158 4.898 4.740 -0.001 0.000 0.212 502 N C -0.094 175.409 175.510 -0.011 0.000 1.127 502 N CA -0.050 52.997 53.050 -0.005 0.000 0.834 502 N CB 0.095 38.575 38.487 -0.012 0.000 1.014 502 N HN 0.508 nan 8.380 nan 0.000 0.491 503 R N 1.197 121.694 120.500 -0.006 0.000 2.347 503 R HA 0.296 4.636 4.340 -0.001 0.000 0.304 503 R C -0.691 175.613 176.300 0.007 0.000 1.072 503 R CA -0.039 56.057 56.100 -0.006 0.000 0.980 503 R CB 0.414 30.712 30.300 -0.002 0.000 0.986 503 R HN -0.011 nan 8.270 nan 0.000 0.448 504 L N 6.412 127.637 121.223 0.004 0.000 2.346 504 L HA 0.553 4.893 4.340 -0.001 0.000 0.276 504 L C -0.491 176.442 176.870 0.105 0.000 1.006 504 L CA -0.822 54.035 54.840 0.029 0.000 0.817 504 L CB 1.867 43.953 42.059 0.046 0.000 1.272 504 L HN 0.590 nan 8.230 nan 0.000 0.421 505 I N 2.195 122.796 120.570 0.052 0.000 2.533 505 I HA 0.406 4.576 4.170 -0.001 0.000 0.290 505 I C -1.243 174.866 176.117 -0.014 0.000 1.056 505 I CA -0.307 61.086 61.300 0.154 0.000 1.057 505 I CB 2.218 40.328 38.000 0.183 0.000 1.240 505 I HN 0.326 nan 8.210 nan 0.000 0.423 506 F N 4.105 124.213 119.950 0.263 0.000 2.449 506 F HA 0.614 5.140 4.527 -0.001 0.000 0.342 506 F C 0.630 176.482 175.800 0.086 0.000 1.127 506 F CA -0.610 57.480 58.000 0.149 0.000 0.975 506 F CB 1.881 40.906 39.000 0.041 0.000 1.146 506 F HN 0.460 nan 8.300 nan 0.000 0.444 507 A N 2.515 125.468 122.820 0.221 0.000 2.440 507 A HA 0.574 4.894 4.320 -0.001 0.000 0.251 507 A C 0.286 177.846 177.584 -0.041 0.000 1.089 507 A CA 0.181 52.190 52.037 -0.046 0.000 0.779 507 A CB 0.033 18.969 19.000 -0.107 0.000 1.022 507 A HN 0.787 nan 8.150 nan 0.000 0.492 508 T N -0.405 114.043 114.554 -0.176 0.000 2.887 508 T HA 0.755 5.104 4.350 -0.001 0.000 0.292 508 T C -0.651 173.995 174.700 -0.090 0.000 1.087 508 T CA -0.455 61.581 62.100 -0.107 0.000 1.009 508 T CB 1.267 70.030 68.868 -0.174 0.000 1.203 508 T HN 1.245 nan 8.240 nan 0.000 0.518 509 Y N -1.460 118.790 120.300 -0.084 0.000 2.576 509 Y HA 0.879 5.429 4.550 -0.001 0.000 0.346 509 Y C -0.156 175.755 175.900 0.019 0.000 1.018 509 Y CA -0.941 57.120 58.100 -0.065 0.000 1.050 509 Y CB 1.859 40.306 38.460 -0.022 0.000 1.280 509 Y HN 0.987 nan 8.280 nan 0.000 0.474 510 T N -0.104 114.536 114.554 0.144 0.000 2.645 510 T HA 0.334 4.684 4.350 -0.001 0.000 0.300 510 T C -1.192 173.633 174.700 0.209 0.000 1.210 510 T CA -0.600 61.582 62.100 0.135 0.000 1.034 510 T CB 1.221 70.125 68.868 0.060 0.000 1.537 510 T HN 0.894 nan 8.240 nan 0.000 0.492 511 S N -0.036 115.774 115.700 0.183 0.000 2.498 511 S HA 0.441 4.911 4.470 -0.001 0.000 0.281 511 S C 1.437 176.119 174.600 0.136 0.000 1.265 511 S CA 1.456 59.755 58.200 0.164 0.000 1.071 511 S CB -0.673 62.603 63.200 0.125 0.000 0.894 511 S HN 1.781 nan 8.310 nan 0.000 0.491 512 G N 3.443 112.325 108.800 0.136 0.000 2.217 512 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.246 512 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.246 512 G C -0.176 174.762 174.900 0.062 0.000 0.990 512 G CA 0.446 45.604 45.100 0.096 0.000 0.627 512 G HN 1.079 nan 8.290 nan 0.000 0.522 513 E N -0.699 119.533 120.200 0.054 0.000 2.423 513 E HA 0.681 5.031 4.350 -0.001 0.000 0.280 513 E C -0.812 175.740 176.600 -0.080 0.000 1.030 513 E CA -1.315 55.072 56.400 -0.022 0.000 0.812 513 E CB 0.931 30.614 29.700 -0.028 0.000 1.313 513 E HN 0.237 nan 8.360 nan 0.000 0.456 514 L N 1.362 122.446 121.223 -0.232 0.000 2.292 514 L HA 0.409 4.749 4.340 -0.001 0.000 0.284 514 L C -0.416 176.216 176.870 -0.396 0.000 1.065 514 L CA -0.545 54.045 54.840 -0.418 0.000 0.806 514 L CB 1.524 43.113 42.059 -0.784 0.000 1.175 514 L HN 0.621 nan 8.230 nan 0.000 0.431 515 T N 2.129 116.458 114.554 -0.375 0.000 2.874 515 T HA 0.380 4.730 4.350 -0.001 0.000 0.321 515 T C -0.567 173.951 174.700 -0.304 0.000 1.075 515 T CA -0.424 61.522 62.100 -0.257 0.000 0.966 515 T CB -0.072 68.675 68.868 -0.201 0.000 1.001 515 T HN 0.126 nan 8.240 nan 0.000 0.476 516 Y N 2.562 122.787 120.300 -0.124 0.000 2.335 516 Y HA 0.395 4.945 4.550 -0.001 0.000 0.331 516 Y C 0.553 176.426 175.900 -0.046 0.000 1.094 516 Y CA -0.996 57.075 58.100 -0.048 0.000 1.253 516 Y CB 0.487 38.973 38.460 0.043 0.000 1.203 516 Y HN 0.426 nan 8.280 nan 0.000 0.508 517 L N 5.720 127.010 121.223 0.111 0.000 2.272 517 L HA 0.512 4.852 4.340 -0.001 0.000 0.289 517 L C -0.590 176.535 176.870 0.425 0.000 1.032 517 L CA -0.370 54.512 54.840 0.070 0.000 0.810 517 L CB 0.833 42.758 42.059 -0.224 0.000 1.205 517 L HN 0.537 nan 8.230 nan 0.000 0.422 518 I N 2.256 123.064 120.570 0.397 0.000 2.404 518 I HA 0.399 4.568 4.170 -0.001 0.000 0.293 518 I C -0.069 176.147 176.117 0.165 0.000 0.992 518 I CA -0.189 61.290 61.300 0.299 0.000 1.149 518 I CB 2.117 40.222 38.000 0.175 0.000 1.315 518 I HN 0.512 nan 8.210 nan 0.000 0.446 519 S N 3.609 119.245 115.700 -0.107 0.000 2.571 519 S HA 0.370 4.840 4.470 -0.001 0.000 0.284 519 S C -0.397 174.062 174.600 -0.234 0.000 1.128 519 S CA -0.627 57.309 58.200 -0.441 0.000 0.970 519 S CB 1.234 63.672 63.200 -1.270 0.000 1.039 519 S HN 0.599 nan 8.310 nan 0.000 0.485 520 D N 2.226 122.523 120.400 -0.172 0.000 2.398 520 D HA 0.142 4.782 4.640 -0.001 0.000 0.210 520 D C -0.163 176.077 176.300 -0.101 0.000 1.094 520 D CA 0.268 54.208 54.000 -0.100 0.000 0.839 520 D CB 0.501 41.267 40.800 -0.057 0.000 0.963 520 D HN 0.736 nan 8.370 nan 0.000 0.506 521 D N -0.802 119.508 120.400 -0.150 0.000 2.957 521 D HA 0.081 4.720 4.640 -0.001 0.000 0.352 521 D C -0.193 176.039 176.300 -0.112 0.000 1.352 521 D CA -0.753 53.182 54.000 -0.108 0.000 0.831 521 D CB 0.028 40.778 40.800 -0.085 0.000 1.147 521 D HN -0.290 nan 8.370 nan 0.000 0.467 522 S N -0.427 115.210 115.700 -0.106 0.000 3.635 522 S HA -0.055 4.415 4.470 -0.001 0.000 0.328 522 S C 1.414 175.984 174.600 -0.050 0.000 1.135 522 S CA 0.877 59.048 58.200 -0.048 0.000 0.942 522 S CB -1.752 61.447 63.200 -0.002 0.000 0.930 522 S HN 1.506 nan 8.310 nan 0.000 0.512 523 G N -0.088 108.568 108.800 -0.239 0.000 2.148 523 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.254 523 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.254 523 G C 0.506 175.351 174.900 -0.092 0.000 0.981 523 G CA 0.766 45.706 45.100 -0.267 0.000 0.670 523 G HN 0.639 nan 8.290 nan 0.000 0.528 524 Q N -0.358 119.367 119.800 -0.125 0.000 2.137 524 Q HA 0.119 4.459 4.340 -0.001 0.000 0.198 524 Q C 1.491 177.488 176.000 -0.005 0.000 0.960 524 Q CA 1.511 57.313 55.803 -0.003 0.000 0.847 524 Q CB 0.151 28.889 28.738 -0.001 0.000 0.915 524 Q HN 0.818 nan 8.270 nan 0.000 0.448 525 T N -2.787 111.667 114.554 -0.167 0.000 2.906 525 T HA 0.558 4.908 4.350 -0.001 0.000 0.295 525 T C -1.470 173.058 174.700 -0.286 0.000 1.061 525 T CA -0.862 61.199 62.100 -0.066 0.000 1.000 525 T CB 1.359 70.231 68.868 0.007 0.000 1.103 525 T HN 0.167 nan 8.240 nan 0.000 0.486 526 W N 1.060 122.475 121.300 0.192 0.000 2.950 526 W HA 0.696 5.355 4.660 -0.001 0.000 0.340 526 W C -0.289 176.415 176.519 0.308 0.000 1.139 526 W CA -0.823 56.671 57.345 0.247 0.000 1.188 526 W CB 2.070 31.749 29.460 0.366 0.000 1.426 526 W HN 1.054 nan 8.180 nan 0.000 0.531 527 K N 1.045 121.709 120.400 0.441 0.000 2.480 527 K HA 0.755 5.075 4.320 -0.001 0.000 0.258 527 K C -1.128 175.565 176.600 0.155 0.000 0.990 527 K CA -1.189 55.296 56.287 0.330 0.000 0.857 527 K CB 2.389 35.010 32.500 0.201 0.000 1.384 527 K HN 0.455 nan 8.250 nan 0.000 0.446 528 K N -0.058 120.414 120.400 0.121 0.000 2.166 528 K HA 0.448 4.768 4.320 -0.001 0.000 0.245 528 K C -1.037 175.623 176.600 0.099 0.000 0.967 528 K CA -0.716 55.574 56.287 0.004 0.000 0.863 528 K CB 1.936 34.414 32.500 -0.036 0.000 1.107 528 K HN 0.463 nan 8.250 nan 0.000 0.436 529 S N 1.184 116.967 115.700 0.138 0.000 2.733 529 S HA 0.307 4.776 4.470 -0.001 0.000 0.294 529 S C -1.315 173.429 174.600 0.240 0.000 1.149 529 S CA -0.702 57.628 58.200 0.217 0.000 1.034 529 S CB 1.049 64.427 63.200 0.297 0.000 1.015 529 S HN 0.617 nan 8.310 nan 0.000 0.486 530 S N 3.151 118.949 115.700 0.164 0.000 2.554 530 S HA 0.786 5.255 4.470 -0.001 0.000 0.278 530 S C -0.224 174.451 174.600 0.125 0.000 1.242 530 S CA -0.560 57.696 58.200 0.093 0.000 1.051 530 S CB 1.424 64.653 63.200 0.050 0.000 0.986 530 S HN 1.016 nan 8.310 nan 0.000 0.502 531 A N 2.185 125.016 122.820 0.018 0.000 2.457 531 A HA 0.614 4.934 4.320 -0.001 0.000 0.283 531 A C 0.001 177.557 177.584 -0.047 0.000 1.166 531 A CA -0.631 51.410 52.037 0.005 0.000 0.740 531 A CB 0.991 19.906 19.000 -0.142 0.000 1.181 531 A HN 0.644 nan 8.150 nan 0.000 0.446 532 S N 2.417 118.118 115.700 0.002 0.000 2.562 532 S HA 0.536 5.006 4.470 -0.001 0.000 0.281 532 S C 0.208 174.788 174.600 -0.033 0.000 1.333 532 S CA -0.074 58.119 58.200 -0.011 0.000 1.052 532 S CB -0.257 62.946 63.200 0.006 0.000 0.884 532 S HN 1.093 nan 8.310 nan 0.000 0.506 533 I N 1.985 122.533 120.570 -0.037 0.000 2.689 533 I HA 0.574 4.744 4.170 -0.001 0.000 0.299 533 I C -2.385 173.601 176.117 -0.219 0.000 1.059 533 I CA -2.827 58.434 61.300 -0.066 0.000 1.055 533 I CB 2.335 40.410 38.000 0.125 0.000 1.243 533 I HN 0.370 nan 8.210 nan 0.000 0.425 534 P HA 0.236 nan 4.420 nan 0.000 0.254 534 P C -1.149 175.697 177.300 -0.756 0.000 1.631 534 P CA 0.351 63.099 63.100 -0.586 0.000 0.861 534 P CB -0.876 30.506 31.700 -0.529 0.000 1.663 535 F N -0.910 119.096 119.950 0.094 0.000 2.569 535 F HA 0.471 4.997 4.527 -0.001 0.000 0.312 535 F C 0.527 176.374 175.800 0.078 0.000 1.109 535 F CA -1.227 56.824 58.000 0.086 0.000 0.919 535 F CB 2.413 41.473 39.000 0.100 0.000 1.211 535 F HN -0.364 nan 8.300 nan 0.000 0.446 536 K N 1.417 121.959 120.400 0.237 0.000 2.130 536 K HA 0.338 4.657 4.320 -0.001 0.000 0.268 536 K C -0.151 176.553 176.600 0.174 0.000 0.983 536 K CA -0.441 55.947 56.287 0.169 0.000 0.893 536 K CB 0.728 33.298 32.500 0.116 0.000 1.066 536 K HN 0.824 nan 8.250 nan 0.000 0.450 537 N N 0.530 119.327 118.700 0.162 0.000 2.707 537 N HA -0.264 4.476 4.740 -0.001 0.000 0.253 537 N C -1.244 174.358 175.510 0.154 0.000 0.998 537 N CA 0.594 53.740 53.050 0.160 0.000 0.751 537 N CB -0.493 38.070 38.487 0.126 0.000 0.920 537 N HN 0.589 nan 8.380 nan 0.000 0.539 538 A N -0.367 122.549 122.820 0.159 0.000 2.293 538 A HA 0.559 4.878 4.320 -0.001 0.000 0.302 538 A C 0.619 178.219 177.584 0.027 0.000 1.119 538 A CA -0.333 51.745 52.037 0.069 0.000 0.823 538 A CB 0.748 19.751 19.000 0.006 0.000 1.097 538 A HN 0.205 nan 8.150 nan 0.000 0.491 539 T N 2.326 116.826 114.554 -0.091 0.000 3.688 539 T HA 0.389 4.739 4.350 -0.001 0.000 0.307 539 T C 0.485 174.843 174.700 -0.569 0.000 1.382 539 T CA 0.514 62.411 62.100 -0.338 0.000 1.136 539 T CB -0.231 68.576 68.868 -0.101 0.000 1.207 539 T HN 0.825 nan 8.240 nan 0.000 0.854 540 A N 3.228 125.603 122.820 -0.740 0.000 3.168 540 A HA 0.283 4.603 4.320 -0.001 0.000 0.260 540 A C 0.509 177.853 177.584 -0.400 0.000 1.598 540 A CA -0.638 51.198 52.037 -0.335 0.000 1.285 540 A CB -0.419 18.556 19.000 -0.042 0.000 1.149 540 A HN 0.701 nan 8.150 nan 0.000 0.630 541 E N 1.048 121.005 120.200 -0.406 0.000 2.351 541 E HA 0.358 4.708 4.350 -0.001 0.000 0.266 541 E C 0.239 176.847 176.600 0.012 0.000 1.031 541 E CA 0.272 56.577 56.400 -0.159 0.000 0.911 541 E CB 0.708 30.323 29.700 -0.142 0.000 0.986 541 E HN 0.602 nan 8.360 nan 0.000 0.446 542 A N 4.154 127.012 122.820 0.062 0.000 2.355 542 A HA 0.450 4.770 4.320 -0.001 0.000 0.317 542 A C -0.807 176.869 177.584 0.154 0.000 1.094 542 A CA -0.844 51.264 52.037 0.117 0.000 0.764 542 A CB 1.290 20.263 19.000 -0.046 0.000 1.230 542 A HN 0.459 nan 8.150 nan 0.000 0.448 543 Q N 1.258 121.196 119.800 0.229 0.000 2.372 543 Q HA 0.572 4.912 4.340 -0.001 0.000 0.273 543 Q C -1.176 175.016 176.000 0.320 0.000 1.078 543 Q CA -0.192 55.763 55.803 0.254 0.000 0.806 543 Q CB 2.266 31.145 28.738 0.236 0.000 1.332 543 Q HN 0.846 nan 8.270 nan 0.000 0.435 544 M N 1.609 121.382 119.600 0.288 0.000 2.508 544 M HA 0.677 5.157 4.480 -0.001 0.000 0.327 544 M C -0.128 176.335 176.300 0.272 0.000 1.160 544 M CA -1.117 54.352 55.300 0.282 0.000 0.980 544 M CB 2.259 35.020 32.600 0.268 0.000 1.693 544 M HN 0.413 nan 8.290 nan 0.000 0.452 545 V N -1.196 118.873 119.914 0.259 0.000 2.876 545 V HA 0.570 4.690 4.120 -0.001 0.000 0.312 545 V C -0.946 175.238 176.094 0.151 0.000 1.085 545 V CA -0.708 61.726 62.300 0.222 0.000 0.945 545 V CB 1.992 33.990 31.823 0.292 0.000 1.017 545 V HN 0.929 nan 8.190 nan 0.000 0.428 546 E N 2.555 122.822 120.200 0.113 0.000 2.014 546 E HA 0.410 4.760 4.350 -0.001 0.000 0.275 546 E C 0.504 177.137 176.600 0.055 0.000 0.997 546 E CA -0.319 56.122 56.400 0.068 0.000 0.804 546 E CB 1.390 31.120 29.700 0.051 0.000 1.090 546 E HN 0.809 nan 8.360 nan 0.000 0.401 547 L N 4.073 125.321 121.223 0.041 0.000 2.027 547 L HA -0.062 4.278 4.340 -0.001 0.000 0.206 547 L C 1.328 178.202 176.870 0.008 0.000 1.074 547 L CA 1.209 56.065 54.840 0.027 0.000 0.745 547 L CB -0.286 41.779 42.059 0.011 0.000 0.898 547 L HN 0.471 nan 8.230 nan 0.000 0.433 548 R N -1.835 118.662 120.500 -0.004 0.000 2.766 548 R HA 0.309 4.649 4.340 -0.001 0.000 0.270 548 R C -1.398 174.891 176.300 -0.017 0.000 1.035 548 R CA -1.051 55.042 56.100 -0.011 0.000 0.911 548 R CB 0.585 30.875 30.300 -0.017 0.000 1.243 548 R HN -0.286 nan 8.270 nan 0.000 0.460 549 D N 0.561 120.950 120.400 -0.018 0.000 2.586 549 D HA 0.152 4.791 4.640 -0.001 0.000 0.234 549 D C 1.271 177.548 176.300 -0.037 0.000 1.132 549 D CA 2.395 56.382 54.000 -0.022 0.000 0.860 549 D CB 0.556 41.344 40.800 -0.020 0.000 1.159 549 D HN 0.819 nan 8.370 nan 0.000 0.490 550 G N 1.382 110.155 108.800 -0.045 0.000 2.189 550 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.267 550 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.267 550 G C 0.278 175.116 174.900 -0.103 0.000 0.975 550 G CA 0.395 45.451 45.100 -0.074 0.000 0.644 550 G HN 0.515 nan 8.290 nan 0.000 0.537 551 V N 1.694 121.561 119.914 -0.078 0.000 2.357 551 V HA 0.621 4.740 4.120 -0.001 0.000 0.284 551 V C 0.349 176.409 176.094 -0.057 0.000 1.018 551 V CA -0.596 61.652 62.300 -0.086 0.000 0.841 551 V CB 1.516 33.303 31.823 -0.059 0.000 0.991 551 V HN 0.304 nan 8.190 nan 0.000 0.437 552 I N 5.152 125.670 120.570 -0.087 0.000 2.406 552 I HA 0.564 4.733 4.170 -0.001 0.000 0.290 552 I C 0.021 176.176 176.117 0.064 0.000 0.999 552 I CA -0.594 60.708 61.300 0.004 0.000 1.124 552 I CB 1.815 39.827 38.000 0.020 0.000 1.289 552 I HN 0.515 nan 8.210 nan 0.000 0.441 553 R N 3.989 124.527 120.500 0.062 0.000 2.393 553 R HA 0.546 4.886 4.340 -0.001 0.000 0.310 553 R C -1.025 175.230 176.300 -0.075 0.000 0.968 553 R CA -0.244 55.837 56.100 -0.032 0.000 0.867 553 R CB 1.442 31.601 30.300 -0.234 0.000 1.124 553 R HN 0.579 nan 8.270 nan 0.000 0.450 554 T N 5.199 119.749 114.554 -0.005 0.000 2.771 554 T HA 0.405 4.754 4.350 -0.001 0.000 0.281 554 T C -0.930 173.774 174.700 0.007 0.000 0.982 554 T CA -0.245 61.900 62.100 0.075 0.000 0.978 554 T CB 0.357 69.321 68.868 0.160 0.000 0.930 554 T HN 0.293 nan 8.240 nan 0.000 0.447 555 F N 4.228 124.392 119.950 0.356 0.000 2.420 555 F HA 0.700 5.227 4.527 -0.001 0.000 0.342 555 F C -0.036 175.964 175.800 0.333 0.000 1.113 555 F CA -1.363 56.825 58.000 0.313 0.000 1.059 555 F CB 0.914 40.025 39.000 0.185 0.000 1.128 555 F HN 0.571 nan 8.300 nan 0.000 0.475 556 F N -0.025 120.043 119.950 0.197 0.000 2.631 556 F HA 0.617 5.144 4.527 -0.001 0.000 0.308 556 F C -0.640 175.154 175.800 -0.011 0.000 1.097 556 F CA -1.631 56.401 58.000 0.055 0.000 0.952 556 F CB 1.324 40.324 39.000 0.001 0.000 1.307 556 F HN 0.397 nan 8.300 nan 0.000 0.450 557 R N 1.841 122.351 120.500 0.017 0.000 2.537 557 R HA 0.461 4.800 4.340 -0.001 0.000 0.280 557 R C -0.263 175.920 176.300 -0.196 0.000 1.058 557 R CA 0.758 56.777 56.100 -0.134 0.000 1.057 557 R CB 0.741 30.950 30.300 -0.152 0.000 0.973 557 R HN 1.061 nan 8.270 nan 0.000 0.438 558 T N -0.919 113.434 114.554 -0.335 0.000 2.676 558 T HA 0.266 4.616 4.350 -0.001 0.000 0.269 558 T C 0.685 175.096 174.700 -0.483 0.000 0.952 558 T CA -0.154 61.596 62.100 -0.582 0.000 1.040 558 T CB 1.502 69.931 68.868 -0.732 0.000 1.352 558 T HN 0.580 nan 8.240 nan 0.000 0.554 559 T N -2.103 112.102 114.554 -0.581 0.000 3.129 559 T HA 0.206 4.556 4.350 -0.001 0.000 0.267 559 T C 1.334 175.904 174.700 -0.217 0.000 1.018 559 T CA 0.445 62.363 62.100 -0.304 0.000 0.903 559 T CB -0.641 68.121 68.868 -0.177 0.000 1.067 559 T HN 0.859 nan 8.240 nan 0.000 0.549 560 T N -2.427 111.984 114.554 -0.239 0.000 3.054 560 T HA 0.488 4.838 4.350 -0.001 0.000 0.255 560 T C 1.925 176.506 174.700 -0.198 0.000 1.035 560 T CA 0.437 62.431 62.100 -0.176 0.000 0.941 560 T CB -0.231 68.527 68.868 -0.183 0.000 1.026 560 T HN 0.788 nan 8.240 nan 0.000 0.533 561 G N 1.357 110.025 108.800 -0.220 0.000 2.184 561 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.264 561 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.264 561 G C -0.103 174.688 174.900 -0.182 0.000 0.975 561 G CA 0.273 45.243 45.100 -0.216 0.000 0.642 561 G HN 0.669 nan 8.290 nan 0.000 0.536 562 K N -0.308 119.998 120.400 -0.157 0.000 2.371 562 K HA 0.608 4.927 4.320 -0.001 0.000 0.251 562 K C 0.193 176.773 176.600 -0.034 0.000 0.934 562 K CA -1.088 55.152 56.287 -0.079 0.000 0.798 562 K CB 1.998 34.473 32.500 -0.043 0.000 1.204 562 K HN 0.150 nan 8.250 nan 0.000 0.427 563 I N 2.402 122.944 120.570 -0.047 0.000 2.618 563 I HA 0.011 4.180 4.170 -0.001 0.000 0.284 563 I C 0.473 176.583 176.117 -0.013 0.000 1.146 563 I CA 0.278 61.539 61.300 -0.066 0.000 1.425 563 I CB 0.832 38.791 38.000 -0.067 0.000 1.383 563 I HN 0.617 nan 8.210 nan 0.000 0.562 564 A N 6.672 129.313 122.820 -0.299 0.000 2.299 564 A HA 0.859 5.179 4.320 -0.001 0.000 0.332 564 A C -1.034 176.342 177.584 -0.346 0.000 1.131 564 A CA -0.359 51.328 52.037 -0.583 0.000 0.844 564 A CB 1.079 19.407 19.000 -1.119 0.000 1.251 564 A HN 0.701 nan 8.150 nan 0.000 0.486 565 Y N -1.830 118.325 120.300 -0.242 0.000 2.597 565 Y HA 0.757 5.307 4.550 -0.001 0.000 0.340 565 Y C -0.886 175.104 175.900 0.148 0.000 1.097 565 Y CA -1.417 56.696 58.100 0.021 0.000 1.037 565 Y CB 1.243 39.652 38.460 -0.085 0.000 1.305 565 Y HN 0.929 nan 8.280 nan 0.000 0.463 566 M N 0.758 120.593 119.600 0.391 0.000 2.575 566 M HA 0.887 5.367 4.480 -0.001 0.000 0.284 566 M C -1.829 174.710 176.300 0.398 0.000 1.253 566 M CA -0.656 54.845 55.300 0.334 0.000 0.861 566 M CB 2.712 35.497 32.600 0.308 0.000 1.733 566 M HN 0.639 nan 8.290 nan 0.000 0.462 567 T N 0.958 115.721 114.554 0.348 0.000 2.887 567 T HA 0.636 4.985 4.350 -0.001 0.000 0.288 567 T C -1.079 173.621 174.700 0.000 0.000 1.021 567 T CA -0.718 61.503 62.100 0.201 0.000 1.000 567 T CB 1.837 70.766 68.868 0.102 0.000 1.034 567 T HN 0.722 nan 8.240 nan 0.000 0.467 568 S N 0.932 116.402 115.700 -0.384 0.000 2.500 568 S HA 0.481 4.951 4.470 -0.001 0.000 0.301 568 S C 0.094 174.435 174.600 -0.431 0.000 1.092 568 S CA -0.861 56.877 58.200 -0.770 0.000 1.030 568 S CB 0.916 63.033 63.200 -1.804 0.000 1.031 568 S HN 0.667 nan 8.310 nan 0.000 0.483 569 R N 2.537 122.841 120.500 -0.326 0.000 2.546 569 R HA 0.261 4.600 4.340 -0.001 0.000 0.320 569 R C -0.546 175.632 176.300 -0.203 0.000 1.021 569 R CA 0.052 56.028 56.100 -0.206 0.000 1.088 569 R CB 0.242 30.461 30.300 -0.134 0.000 1.278 569 R HN 0.511 nan 8.270 nan 0.000 0.557 570 D N -0.548 119.681 120.400 -0.285 0.000 2.469 570 D HA 0.111 4.750 4.640 -0.001 0.000 0.215 570 D C -0.222 175.944 176.300 -0.224 0.000 1.154 570 D CA 0.092 53.945 54.000 -0.245 0.000 0.832 570 D CB 0.720 41.328 40.800 -0.320 0.000 1.008 570 D HN -0.143 nan 8.370 nan 0.000 0.506 571 S N -0.424 115.138 115.700 -0.229 0.000 3.587 571 S HA -0.159 4.310 4.470 -0.001 0.000 0.337 571 S C 1.381 175.857 174.600 -0.207 0.000 1.119 571 S CA 0.766 58.860 58.200 -0.176 0.000 0.976 571 S CB -1.514 61.625 63.200 -0.101 0.000 0.922 571 S HN 0.687 nan 8.310 nan 0.000 0.503 572 G N -0.259 108.292 108.800 -0.415 0.000 2.157 572 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.248 572 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.248 572 G C 0.562 175.309 174.900 -0.256 0.000 0.979 572 G CA 0.509 45.352 45.100 -0.428 0.000 0.650 572 G HN 0.536 nan 8.290 nan 0.000 0.529 573 E N 0.127 120.171 120.200 -0.260 0.000 2.046 573 E HA 0.023 4.373 4.350 -0.001 0.000 0.190 573 E C 1.652 178.182 176.600 -0.117 0.000 0.982 573 E CA 1.783 58.111 56.400 -0.119 0.000 0.800 573 E CB -0.106 29.537 29.700 -0.096 0.000 0.756 573 E HN 0.884 nan 8.360 nan 0.000 0.449 574 T N -2.485 111.888 114.554 -0.302 0.000 2.907 574 T HA 0.533 4.883 4.350 -0.001 0.000 0.292 574 T C -1.213 173.165 174.700 -0.537 0.000 1.043 574 T CA -0.890 61.080 62.100 -0.218 0.000 1.003 574 T CB 1.433 70.235 68.868 -0.110 0.000 1.084 574 T HN 0.029 nan 8.240 nan 0.000 0.483 575 W N 1.282 122.557 121.300 -0.041 0.000 2.819 575 W HA 0.610 5.270 4.660 -0.001 0.000 0.337 575 W C 0.647 177.159 176.519 -0.012 0.000 1.077 575 W CA -0.722 56.601 57.345 -0.037 0.000 1.226 575 W CB 2.139 31.589 29.460 -0.017 0.000 1.419 575 W HN 1.031 nan 8.180 nan 0.000 0.502 576 S N 1.447 117.281 115.700 0.224 0.000 2.626 576 S HA 0.449 4.919 4.470 -0.001 0.000 0.257 576 S C 0.343 175.025 174.600 0.135 0.000 1.288 576 S CA -0.500 57.782 58.200 0.137 0.000 0.980 576 S CB 0.829 64.092 63.200 0.105 0.000 0.975 576 S HN 0.462 nan 8.310 nan 0.000 0.577 577 K N -0.437 120.004 120.400 0.070 0.000 2.143 577 K HA 0.369 4.689 4.320 -0.001 0.000 0.239 577 K C -0.780 175.817 176.600 -0.005 0.000 1.048 577 K CA -0.334 55.970 56.287 0.030 0.000 0.867 577 K CB 0.205 32.708 32.500 0.005 0.000 1.088 577 K HN 0.450 nan 8.250 nan 0.000 0.510 578 V N 1.719 121.595 119.914 -0.063 0.000 2.439 578 V HA 0.203 4.322 4.120 -0.001 0.000 0.282 578 V C -0.323 175.523 176.094 -0.414 0.000 1.039 578 V CA -0.235 61.956 62.300 -0.182 0.000 0.913 578 V CB 1.379 33.134 31.823 -0.114 0.000 0.983 578 V HN 0.714 nan 8.190 nan 0.000 0.460 579 S N 3.121 118.387 115.700 -0.724 0.000 2.715 579 S HA 0.827 5.297 4.470 -0.001 0.000 0.307 579 S C -1.402 172.580 174.600 -1.030 0.000 1.119 579 S CA -0.555 57.151 58.200 -0.824 0.000 0.937 579 S CB 1.601 64.318 63.200 -0.805 0.000 1.150 579 S HN 0.518 nan 8.310 nan 0.000 0.521 580 Y N -0.013 120.155 120.300 -0.219 0.000 2.536 580 Y HA 0.568 5.118 4.550 -0.001 0.000 0.347 580 Y C -0.218 175.799 175.900 0.196 0.000 1.000 580 Y CA -0.858 57.230 58.100 -0.019 0.000 1.051 580 Y CB 0.949 39.396 38.460 -0.022 0.000 1.259 580 Y HN 0.423 nan 8.280 nan 0.000 0.468 581 I N 3.536 124.320 120.570 0.356 0.000 2.331 581 I HA 0.183 4.352 4.170 -0.001 0.000 0.292 581 I C -0.635 175.565 176.117 0.137 0.000 0.998 581 I CA -0.369 61.097 61.300 0.277 0.000 1.267 581 I CB 0.593 38.645 38.000 0.086 0.000 1.386 581 I HN 0.547 nan 8.210 nan 0.000 0.476 582 D N 4.717 125.208 120.400 0.151 0.000 2.229 582 D HA 0.408 5.048 4.640 -0.001 0.000 0.249 582 D C 0.940 177.269 176.300 0.047 0.000 1.027 582 D CA 0.239 54.287 54.000 0.081 0.000 0.923 582 D CB 1.973 42.831 40.800 0.098 0.000 1.174 582 D HN 0.851 nan 8.370 nan 0.000 0.443 583 G N 0.698 109.501 108.800 0.005 0.000 2.213 583 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.226 583 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.226 583 G C 0.154 175.031 174.900 -0.038 0.000 0.992 583 G CA -0.294 44.804 45.100 -0.003 0.000 0.632 583 G HN 0.475 nan 8.290 nan 0.000 0.511 584 I N 1.148 121.667 120.570 -0.086 0.000 2.465 584 I HA 0.470 4.640 4.170 -0.001 0.000 0.291 584 I C -0.023 176.023 176.117 -0.118 0.000 1.014 584 I CA -0.689 60.541 61.300 -0.117 0.000 1.093 584 I CB 1.987 39.871 38.000 -0.194 0.000 1.267 584 I HN 0.056 nan 8.210 nan 0.000 0.431 585 Q N 5.531 125.258 119.800 -0.121 0.000 2.274 585 Q HA 0.543 4.883 4.340 -0.001 0.000 0.260 585 Q C -1.040 174.868 176.000 -0.154 0.000 0.974 585 Q CA -0.763 54.962 55.803 -0.131 0.000 0.876 585 Q CB 2.642 31.307 28.738 -0.122 0.000 1.297 585 Q HN 0.538 nan 8.270 nan 0.000 0.446 586 Q N 0.250 119.939 119.800 -0.184 0.000 2.418 586 Q HA 0.433 4.773 4.340 -0.001 0.000 0.276 586 Q C -0.308 175.512 176.000 -0.300 0.000 1.081 586 Q CA -0.723 54.937 55.803 -0.238 0.000 0.864 586 Q CB 1.904 30.490 28.738 -0.253 0.000 1.384 586 Q HN 0.739 nan 8.270 nan 0.000 0.467 587 T N -2.175 112.108 114.554 -0.451 0.000 2.788 587 T HA 0.058 4.408 4.350 -0.001 0.000 0.287 587 T C 1.375 175.724 174.700 -0.584 0.000 1.007 587 T CA 0.020 61.768 62.100 -0.587 0.000 1.005 587 T CB 0.783 69.008 68.868 -1.071 0.000 1.012 587 T HN 0.724 nan 8.240 nan 0.000 0.530 588 S N 0.681 116.100 115.700 -0.468 0.000 2.383 588 S HA -0.226 4.244 4.470 -0.001 0.000 0.229 588 S C 1.891 176.302 174.600 -0.315 0.000 1.030 588 S CA 1.425 59.445 58.200 -0.299 0.000 1.002 588 S CB -1.243 61.874 63.200 -0.138 0.000 0.829 588 S HN 0.942 nan 8.310 nan 0.000 0.467 589 Y N 1.215 121.305 120.300 -0.349 0.000 2.475 589 Y HA 0.517 5.067 4.550 -0.001 0.000 0.289 589 Y C 1.295 176.927 175.900 -0.447 0.000 1.121 589 Y CA -0.723 57.101 58.100 -0.459 0.000 1.257 589 Y CB -1.101 36.846 38.460 -0.855 0.000 1.026 589 Y HN 0.509 nan 8.280 nan 0.000 0.555 590 G N 0.275 108.668 108.800 -0.679 0.000 2.829 590 G HA2 0.024 3.984 3.960 -0.001 0.000 0.628 590 G HA3 0.024 3.984 3.960 -0.001 0.000 0.628 590 G C -0.746 174.009 174.900 -0.242 0.000 1.412 590 G CA -0.302 44.546 45.100 -0.420 0.000 0.864 590 G HN 0.522 nan 8.290 nan 0.000 0.544 591 T N 0.661 115.105 114.554 -0.184 0.000 2.993 591 T HA 0.476 4.826 4.350 -0.001 0.000 0.312 591 T C 0.038 174.604 174.700 -0.223 0.000 1.115 591 T CA -0.381 61.653 62.100 -0.111 0.000 1.027 591 T CB 1.875 70.722 68.868 -0.036 0.000 1.116 591 T HN 0.874 nan 8.240 nan 0.000 0.464 592 Q N 1.746 121.265 119.800 -0.469 0.000 2.431 592 Q HA 0.067 4.407 4.340 -0.001 0.000 0.349 592 Q C -0.722 175.134 176.000 -0.240 0.000 1.119 592 Q CA 0.541 56.036 55.803 -0.513 0.000 1.065 592 Q CB 0.447 28.526 28.738 -1.100 0.000 1.149 592 Q HN 0.579 nan 8.270 nan 0.000 0.403 593 V N 3.923 123.764 119.914 -0.121 0.000 2.540 593 V HA 0.478 4.597 4.120 -0.001 0.000 0.302 593 V C -0.631 175.475 176.094 0.020 0.000 1.035 593 V CA -0.222 62.053 62.300 -0.042 0.000 0.873 593 V CB 2.099 33.895 31.823 -0.046 0.000 0.992 593 V HN 0.904 nan 8.190 nan 0.000 0.428 594 S N 5.483 121.210 115.700 0.044 0.000 2.617 594 S HA 0.938 5.408 4.470 -0.001 0.000 0.283 594 S C -0.214 174.431 174.600 0.075 0.000 1.189 594 S CA -0.177 58.078 58.200 0.093 0.000 1.036 594 S CB 1.795 65.071 63.200 0.126 0.000 1.014 594 S HN 1.844 nan 8.310 nan 0.000 0.522 595 A N 1.862 124.758 122.820 0.127 0.000 2.459 595 A HA 0.734 5.053 4.320 -0.001 0.000 0.296 595 A C -0.585 177.103 177.584 0.172 0.000 1.039 595 A CA -0.972 51.140 52.037 0.124 0.000 0.698 595 A CB 0.745 19.873 19.000 0.213 0.000 1.261 595 A HN 1.274 nan 8.150 nan 0.000 0.405 596 I N -1.267 119.393 120.570 0.149 0.000 2.934 596 I HA 0.816 4.985 4.170 -0.001 0.000 0.306 596 I C -0.696 175.523 176.117 0.170 0.000 1.110 596 I CA -1.181 60.215 61.300 0.160 0.000 1.019 596 I CB 2.261 40.348 38.000 0.146 0.000 1.227 596 I HN 0.443 nan 8.210 nan 0.000 0.434 597 K N 3.439 123.935 120.400 0.160 0.000 2.253 597 K HA 0.309 4.629 4.320 -0.001 0.000 0.277 597 K C -1.217 175.485 176.600 0.170 0.000 1.053 597 K CA -0.339 56.039 56.287 0.152 0.000 0.892 597 K CB 0.396 32.965 32.500 0.116 0.000 1.102 597 K HN 0.548 nan 8.250 nan 0.000 0.469 598 Y N 2.997 123.321 120.300 0.041 0.000 2.411 598 Y HA 0.001 4.551 4.550 -0.000 0.000 0.333 598 Y C 1.384 177.293 175.900 0.015 0.000 1.186 598 Y CA 0.644 58.762 58.100 0.030 0.000 1.381 598 Y CB 1.008 39.477 38.460 0.016 0.000 1.273 598 Y HN 0.833 nan 8.280 nan 0.000 0.546 599 S N 2.229 117.627 115.700 -0.504 0.000 2.489 599 S HA 0.063 4.533 4.470 -0.001 0.000 0.228 599 S C 0.192 174.550 174.600 -0.403 0.000 0.995 599 S CA 0.121 58.106 58.200 -0.358 0.000 0.934 599 S CB -0.004 63.042 63.200 -0.257 0.000 0.771 599 S HN 0.652 nan 8.310 nan 0.000 0.522 600 Q N 0.615 120.030 119.800 -0.642 0.000 2.297 600 Q HA 0.548 4.888 4.340 -0.001 0.000 0.269 600 Q C -0.459 175.515 176.000 -0.044 0.000 1.051 600 Q CA -0.666 54.932 55.803 -0.341 0.000 0.869 600 Q CB 1.454 29.953 28.738 -0.398 0.000 1.346 600 Q HN 0.337 nan 8.270 nan 0.000 0.457 601 L N 1.442 122.653 121.223 -0.021 0.000 2.417 601 L HA 0.441 4.780 4.340 -0.001 0.000 0.268 601 L C 0.091 177.000 176.870 0.065 0.000 1.158 601 L CA -0.252 54.604 54.840 0.027 0.000 0.819 601 L CB 0.334 42.392 42.059 -0.002 0.000 1.112 601 L HN 0.400 nan 8.230 nan 0.000 0.458 602 I N 2.126 122.737 120.570 0.069 0.000 2.466 602 I HA 0.209 4.379 4.170 -0.001 0.000 0.289 602 I C -0.566 175.586 176.117 0.060 0.000 1.026 602 I CA -0.553 60.783 61.300 0.061 0.000 1.078 602 I CB 1.769 39.806 38.000 0.063 0.000 1.249 602 I HN 0.600 nan 8.210 nan 0.000 0.429 603 D N 5.195 125.627 120.400 0.054 0.000 2.701 603 D HA -0.205 4.434 4.640 -0.001 0.000 0.235 603 D C 1.182 177.498 176.300 0.028 0.000 1.155 603 D CA 1.722 55.754 54.000 0.053 0.000 0.649 603 D CB -0.987 39.865 40.800 0.087 0.000 1.050 603 D HN 1.159 nan 8.370 nan 0.000 0.425 604 G N -1.087 107.724 108.800 0.018 0.000 2.184 604 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.264 604 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.264 604 G C 0.341 175.242 174.900 0.002 0.000 0.975 604 G CA 0.986 46.090 45.100 0.006 0.000 0.642 604 G HN 0.549 nan 8.290 nan 0.000 0.536 605 K N 0.332 120.736 120.400 0.007 0.000 2.340 605 K HA 0.594 4.913 4.320 -0.001 0.000 0.244 605 K C -0.026 176.578 176.600 0.007 0.000 0.973 605 K CA -0.886 55.399 56.287 -0.003 0.000 0.828 605 K CB 1.834 34.324 32.500 -0.017 0.000 1.226 605 K HN 0.255 nan 8.250 nan 0.000 0.437 606 E N 0.488 120.686 120.200 -0.003 0.000 2.390 606 E HA 0.322 4.672 4.350 -0.001 0.000 0.261 606 E C -0.859 175.749 176.600 0.013 0.000 1.076 606 E CA -0.323 56.083 56.400 0.009 0.000 0.905 606 E CB 1.032 30.731 29.700 -0.003 0.000 0.984 606 E HN 0.539 nan 8.360 nan 0.000 0.427 607 A N 2.020 124.874 122.820 0.056 0.000 2.422 607 A HA 0.533 4.852 4.320 -0.001 0.000 0.302 607 A C -1.143 176.493 177.584 0.087 0.000 1.041 607 A CA -0.643 51.429 52.037 0.058 0.000 0.708 607 A CB 1.434 20.490 19.000 0.093 0.000 1.257 607 A HN 0.333 nan 8.150 nan 0.000 0.414 608 V N 2.808 122.747 119.914 0.042 0.000 2.513 608 V HA 0.516 4.635 4.120 -0.001 0.000 0.299 608 V C -0.416 175.746 176.094 0.114 0.000 1.035 608 V CA -0.296 62.062 62.300 0.096 0.000 0.889 608 V CB 1.565 33.450 31.823 0.102 0.000 0.988 608 V HN 0.721 nan 8.190 nan 0.000 0.440 609 I N 5.295 125.927 120.570 0.102 0.000 2.406 609 I HA 0.485 4.655 4.170 -0.001 0.000 0.290 609 I C -0.682 175.441 176.117 0.011 0.000 0.999 609 I CA -0.400 60.936 61.300 0.059 0.000 1.124 609 I CB 1.633 39.639 38.000 0.010 0.000 1.289 609 I HN 0.297 nan 8.210 nan 0.000 0.441 610 L N 4.638 125.824 121.223 -0.062 0.000 2.325 610 L HA 0.554 4.894 4.340 -0.001 0.000 0.278 610 L C 0.015 176.820 176.870 -0.109 0.000 1.023 610 L CA -0.522 54.215 54.840 -0.171 0.000 0.811 610 L CB 1.934 43.748 42.059 -0.408 0.000 1.249 610 L HN 0.552 nan 8.230 nan 0.000 0.431 611 S N 1.327 116.997 115.700 -0.050 0.000 2.519 611 S HA 0.724 5.194 4.470 -0.001 0.000 0.309 611 S C -0.709 173.921 174.600 0.050 0.000 1.100 611 S CA -0.294 57.918 58.200 0.020 0.000 1.059 611 S CB 1.396 64.668 63.200 0.119 0.000 1.008 611 S HN 0.750 nan 8.310 nan 0.000 0.478 612 T N 4.651 119.232 114.554 0.045 0.000 2.893 612 T HA 0.557 4.907 4.350 -0.001 0.000 0.337 612 T C -3.242 171.470 174.700 0.020 0.000 1.587 612 T CA -1.205 60.924 62.100 0.048 0.000 1.066 612 T CB 1.679 70.496 68.868 -0.085 0.000 1.414 612 T HN 0.452 nan 8.240 nan 0.000 0.488 613 P HA 0.262 nan 4.420 nan 0.000 0.271 613 P C -0.975 176.272 177.300 -0.087 0.000 1.218 613 P CA -0.207 62.904 63.100 0.018 0.000 0.780 613 P CB 0.369 32.117 31.700 0.081 0.000 0.901 614 N N 1.244 119.873 118.700 -0.119 0.000 2.776 614 N HA 0.325 5.065 4.740 -0.001 0.000 0.245 614 N C -1.538 173.907 175.510 -0.109 0.000 1.121 614 N CA -0.254 52.724 53.050 -0.120 0.000 0.852 614 N CB -0.061 38.356 38.487 -0.117 0.000 1.142 614 N HN 0.331 nan 8.380 nan 0.000 0.514 615 S N 1.872 117.506 115.700 -0.110 0.000 2.543 615 S HA 0.341 4.810 4.470 -0.001 0.000 0.274 615 S C 0.322 174.846 174.600 -0.126 0.000 1.149 615 S CA -0.768 57.372 58.200 -0.100 0.000 0.866 615 S CB 0.754 63.911 63.200 -0.071 0.000 1.111 615 S HN 0.594 nan 8.310 nan 0.000 0.457 616 R N 1.723 122.155 120.500 -0.114 0.000 2.334 616 R HA 0.353 4.693 4.340 -0.001 0.000 0.216 616 R C 0.780 177.009 176.300 -0.119 0.000 0.905 616 R CA 0.556 56.577 56.100 -0.133 0.000 1.064 616 R CB -0.206 30.026 30.300 -0.112 0.000 1.046 616 R HN 0.367 nan 8.270 nan 0.000 0.508 617 S N -0.042 115.608 115.700 -0.082 0.000 2.444 617 S HA 0.327 4.797 4.470 -0.001 0.000 0.223 617 S C 0.893 175.484 174.600 -0.016 0.000 1.054 617 S CA 0.430 58.607 58.200 -0.038 0.000 0.947 617 S CB 0.622 63.816 63.200 -0.010 0.000 0.850 617 S HN 0.598 nan 8.310 nan 0.000 0.527 618 G N 0.437 109.227 108.800 -0.015 0.000 2.753 618 G HA2 0.508 4.468 3.960 -0.001 0.000 0.303 618 G HA3 0.508 4.468 3.960 -0.001 0.000 0.303 618 G C -1.614 173.295 174.900 0.014 0.000 1.242 618 G CA -1.041 44.082 45.100 0.039 0.000 0.810 618 G HN 0.082 nan 8.290 nan 0.000 0.515 619 R N 1.256 121.801 120.500 0.076 0.000 2.593 619 R HA 0.386 4.725 4.340 -0.001 0.000 0.282 619 R C -0.142 176.213 176.300 0.091 0.000 1.300 619 R CA -0.027 56.118 56.100 0.075 0.000 1.221 619 R CB 0.042 30.398 30.300 0.093 0.000 1.157 619 R HN 0.613 nan 8.270 nan 0.000 0.555 620 K N -1.535 118.916 120.400 0.086 0.000 2.617 620 K HA 0.477 4.797 4.320 -0.001 0.000 0.293 620 K C -0.195 176.422 176.600 0.028 0.000 1.034 620 K CA -0.749 55.594 56.287 0.094 0.000 0.884 620 K CB 0.871 33.418 32.500 0.078 0.000 1.541 620 K HN 0.226 nan 8.250 nan 0.000 0.409 621 G N -0.106 108.687 108.800 -0.012 0.000 2.298 621 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.287 621 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.287 621 G C 0.383 175.143 174.900 -0.233 0.000 1.075 621 G CA -0.102 44.933 45.100 -0.109 0.000 0.960 621 G HN 0.971 nan 8.290 nan 0.000 0.502 622 G N -0.818 107.738 108.800 -0.406 0.000 2.380 622 G HA2 0.465 4.425 3.960 -0.001 0.000 0.242 622 G HA3 0.465 4.425 3.960 -0.001 0.000 0.242 622 G C 0.072 174.519 174.900 -0.755 0.000 1.298 622 G CA 0.160 44.627 45.100 -1.056 0.000 0.878 622 G HN 0.666 nan 8.290 nan 0.000 0.542 623 Q N 0.393 119.829 119.800 -0.606 0.000 2.389 623 Q HA 0.451 4.790 4.340 -0.001 0.000 0.277 623 Q C -0.799 175.076 176.000 -0.209 0.000 1.082 623 Q CA -0.800 54.811 55.803 -0.320 0.000 0.810 623 Q CB 2.768 31.402 28.738 -0.173 0.000 1.374 623 Q HN 0.437 nan 8.270 nan 0.000 0.422 624 L N 1.809 122.998 121.223 -0.057 0.000 2.282 624 L HA 0.585 4.925 4.340 -0.001 0.000 0.288 624 L C -0.708 176.140 176.870 -0.037 0.000 1.033 624 L CA -0.983 53.844 54.840 -0.022 0.000 0.807 624 L CB 1.367 43.446 42.059 0.033 0.000 1.209 624 L HN 0.271 nan 8.230 nan 0.000 0.423 625 V N 4.170 124.018 119.914 -0.111 0.000 2.417 625 V HA 0.362 4.481 4.120 -0.001 0.000 0.291 625 V C 0.074 176.177 176.094 0.015 0.000 1.024 625 V CA -0.685 61.509 62.300 -0.177 0.000 0.861 625 V CB 2.119 33.700 31.823 -0.403 0.000 0.985 625 V HN 0.427 nan 8.190 nan 0.000 0.436 626 V N 3.984 123.947 119.914 0.082 0.000 2.370 626 V HA 0.724 4.844 4.120 -0.001 0.000 0.279 626 V C 0.762 176.972 176.094 0.192 0.000 1.029 626 V CA -0.187 62.200 62.300 0.145 0.000 0.870 626 V CB 1.467 33.367 31.823 0.129 0.000 0.984 626 V HN 0.973 nan 8.190 nan 0.000 0.451 627 G N 4.893 113.747 108.800 0.090 0.000 2.416 627 G HA2 0.677 4.637 3.960 -0.001 0.000 0.324 627 G HA3 0.677 4.637 3.960 -0.001 0.000 0.324 627 G C -0.915 173.820 174.900 -0.274 0.000 1.194 627 G CA -0.685 44.215 45.100 -0.334 0.000 0.922 627 G HN 0.608 nan 8.290 nan 0.000 0.467 628 L N 2.412 123.479 121.223 -0.260 0.000 2.275 628 L HA 0.331 4.670 4.340 -0.001 0.000 0.288 628 L C 0.057 176.803 176.870 -0.207 0.000 1.046 628 L CA -0.987 53.755 54.840 -0.163 0.000 0.805 628 L CB 1.669 43.670 42.059 -0.096 0.000 1.193 628 L HN 0.128 nan 8.230 nan 0.000 0.426 629 V N 2.889 122.715 119.914 -0.147 0.000 2.530 629 V HA 0.070 4.190 4.120 -0.001 0.000 0.282 629 V C 0.532 176.567 176.094 -0.099 0.000 1.048 629 V CA -0.566 61.652 62.300 -0.136 0.000 0.997 629 V CB 1.183 32.952 31.823 -0.089 0.000 0.987 629 V HN 0.714 nan 8.190 nan 0.000 0.477 630 N N 4.041 122.681 118.700 -0.099 0.000 2.411 630 N HA 0.131 4.870 4.740 -0.001 0.000 0.259 630 N C 0.831 176.311 175.510 -0.050 0.000 1.103 630 N CA -0.156 52.854 53.050 -0.067 0.000 0.954 630 N CB 1.008 39.457 38.487 -0.063 0.000 1.085 630 N HN 0.581 nan 8.380 nan 0.000 0.485 631 K N 2.023 122.400 120.400 -0.039 0.000 2.362 631 K HA -0.057 4.263 4.320 -0.001 0.000 0.200 631 K C 1.009 177.593 176.600 -0.026 0.000 1.046 631 K CA 0.867 57.136 56.287 -0.031 0.000 0.952 631 K CB 0.412 32.897 32.500 -0.026 0.000 0.753 631 K HN 0.557 nan 8.250 nan 0.000 0.466 632 E N 0.799 120.984 120.200 -0.025 0.000 2.086 632 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 632 E C 0.934 177.523 176.600 -0.017 0.000 0.975 632 E CA 1.236 57.625 56.400 -0.019 0.000 0.813 632 E CB 0.162 29.852 29.700 -0.017 0.000 0.768 632 E HN 0.498 nan 8.360 nan 0.000 0.457 633 D N -1.231 119.158 120.400 -0.019 0.000 2.539 633 D HA 0.010 4.649 4.640 -0.001 0.000 0.232 633 D C -0.193 176.098 176.300 -0.015 0.000 1.256 633 D CA -0.044 53.949 54.000 -0.012 0.000 0.810 633 D CB 0.210 41.007 40.800 -0.004 0.000 1.090 633 D HN -0.253 nan 8.370 nan 0.000 0.519 634 D N 0.293 120.675 120.400 -0.030 0.000 3.077 634 D HA -0.173 4.467 4.640 -0.001 0.000 0.217 634 D C -0.080 176.185 176.300 -0.058 0.000 1.162 634 D CA 1.294 55.270 54.000 -0.040 0.000 0.943 634 D CB -1.801 38.983 40.800 -0.026 0.000 1.122 634 D HN 0.551 nan 8.370 nan 0.000 0.413 635 S N -0.310 115.356 115.700 -0.057 0.000 2.600 635 S HA 0.540 5.009 4.470 -0.001 0.000 0.265 635 S C 0.457 174.953 174.600 -0.174 0.000 1.325 635 S CA -0.536 57.615 58.200 -0.081 0.000 1.002 635 S CB 1.763 64.939 63.200 -0.039 0.000 0.921 635 S HN 0.253 nan 8.310 nan 0.000 0.554 636 I N 1.161 121.561 120.570 -0.282 0.000 2.436 636 I HA 0.293 4.463 4.170 -0.001 0.000 0.289 636 I C -0.988 174.746 176.117 -0.639 0.000 1.010 636 I CA -0.604 60.372 61.300 -0.541 0.000 1.098 636 I CB 1.902 39.381 38.000 -0.869 0.000 1.266 636 I HN 0.684 nan 8.210 nan 0.000 0.434 637 D N 6.334 126.433 120.400 -0.503 0.000 2.396 637 D HA 0.215 4.855 4.640 -0.001 0.000 0.225 637 D C -1.188 174.885 176.300 -0.378 0.000 1.121 637 D CA -0.266 53.528 54.000 -0.342 0.000 0.853 637 D CB 0.496 41.184 40.800 -0.187 0.000 1.043 637 D HN 0.193 nan 8.370 nan 0.000 0.500 638 W N 4.684 125.950 121.300 -0.058 0.000 2.497 638 W HA 0.286 4.946 4.660 -0.001 0.000 0.354 638 W C 1.554 178.002 176.519 -0.118 0.000 1.111 638 W CA -0.683 56.600 57.345 -0.103 0.000 1.510 638 W CB 0.803 30.207 29.460 -0.094 0.000 1.466 638 W HN 0.434 nan 8.180 nan 0.000 0.409 639 K N 1.725 122.096 120.400 -0.047 0.000 2.335 639 K HA 0.065 4.385 4.320 -0.001 0.000 0.195 639 K C -0.562 175.795 176.600 -0.405 0.000 1.058 639 K CA 0.537 56.646 56.287 -0.296 0.000 0.988 639 K CB 0.356 32.533 32.500 -0.539 0.000 0.880 639 K HN 0.313 nan 8.250 nan 0.000 0.513 640 Y N 0.062 120.385 120.300 0.038 0.000 2.425 640 Y HA 0.358 4.908 4.550 -0.001 0.000 0.344 640 Y C -0.652 175.201 175.900 -0.078 0.000 0.969 640 Y CA -1.028 57.098 58.100 0.044 0.000 1.052 640 Y CB 1.631 40.099 38.460 0.013 0.000 1.215 640 Y HN -0.045 nan 8.280 nan 0.000 0.451 641 H N 2.874 122.055 119.070 0.184 0.000 2.708 641 H HA 0.141 4.697 4.556 -0.001 0.000 0.320 641 H C -1.647 173.736 175.328 0.093 0.000 0.991 641 H CA -0.743 55.358 56.048 0.087 0.000 1.243 641 H CB 1.716 31.483 29.762 0.008 0.000 1.446 641 H HN 0.735 nan 8.280 nan 0.000 0.502 642 Y N 4.669 124.988 120.300 0.031 0.000 2.326 642 Y HA 0.043 4.592 4.550 -0.000 0.000 0.337 642 Y C 0.121 175.987 175.900 -0.056 0.000 1.023 642 Y CA -1.160 56.929 58.100 -0.018 0.000 1.143 642 Y CB 0.739 39.164 38.460 -0.058 0.000 1.183 642 Y HN 0.524 nan 8.280 nan 0.000 0.485 643 D N 7.386 127.316 120.400 -0.783 0.000 2.357 643 D HA -0.039 4.601 4.640 -0.001 0.000 0.265 643 D C 1.323 177.036 176.300 -0.978 0.000 1.334 643 D CA 0.140 53.706 54.000 -0.724 0.000 0.984 643 D CB 0.783 41.297 40.800 -0.477 0.000 1.077 643 D HN 0.578 nan 8.370 nan 0.000 0.514 644 I N 0.744 120.963 120.570 -0.585 0.000 2.127 644 I HA -0.207 3.963 4.170 -0.001 0.000 0.241 644 I C 1.106 177.203 176.117 -0.035 0.000 1.075 644 I CA 1.677 62.831 61.300 -0.244 0.000 1.334 644 I CB -0.465 37.321 38.000 -0.355 0.000 1.040 644 I HN 0.489 nan 8.210 nan 0.000 0.405 645 D N -1.712 118.606 120.400 -0.136 0.000 2.921 645 D HA 0.323 4.962 4.640 -0.001 0.000 0.329 645 D C -0.577 175.620 176.300 -0.172 0.000 1.293 645 D CA -0.630 53.333 54.000 -0.063 0.000 0.964 645 D CB 0.835 41.580 40.800 -0.092 0.000 1.435 645 D HN -0.191 nan 8.370 nan 0.000 0.548 646 L N 1.567 122.634 121.223 -0.260 0.000 2.543 646 L HA 0.087 4.426 4.340 -0.001 0.000 0.285 646 L C -1.233 175.526 176.870 -0.185 0.000 1.236 646 L CA -0.937 53.717 54.840 -0.311 0.000 0.871 646 L CB -0.092 41.589 42.059 -0.629 0.000 1.121 646 L HN 0.363 nan 8.230 nan 0.000 0.501 647 P HA -0.182 nan 4.420 nan 0.000 0.217 647 P C 1.324 178.612 177.300 -0.019 0.000 1.148 647 P CA 1.439 64.487 63.100 -0.086 0.000 0.834 647 P CB 0.133 31.785 31.700 -0.080 0.000 0.783 648 S N -4.116 111.595 115.700 0.018 0.000 2.593 648 S HA 0.027 4.497 4.470 -0.001 0.000 0.217 648 S C 0.392 175.176 174.600 0.306 0.000 0.966 648 S CA -0.142 58.137 58.200 0.131 0.000 0.914 648 S CB -0.750 62.535 63.200 0.142 0.000 0.776 648 S HN -0.051 nan 8.310 nan 0.000 0.523 649 Y N 2.430 122.720 120.300 -0.017 0.000 2.334 649 Y HA 0.660 5.210 4.550 -0.001 0.000 0.328 649 Y C 1.190 177.093 175.900 0.005 0.000 1.130 649 Y CA -1.675 56.412 58.100 -0.022 0.000 1.163 649 Y CB 0.435 38.850 38.460 -0.076 0.000 1.207 649 Y HN 0.199 nan 8.280 nan 0.000 0.471 650 G N 1.854 110.727 108.800 0.121 0.000 2.432 650 G HA2 0.184 4.144 3.960 -0.001 0.000 0.239 650 G HA3 0.184 4.144 3.960 -0.001 0.000 0.239 650 G C -1.743 173.296 174.900 0.231 0.000 1.291 650 G CA 0.198 45.374 45.100 0.127 0.000 0.863 650 G HN 0.599 nan 8.290 nan 0.000 0.560 651 Y N 1.420 121.757 120.300 0.061 0.000 2.299 651 Y HA 0.491 5.041 4.550 -0.001 0.000 0.318 651 Y C 0.125 176.073 175.900 0.081 0.000 1.205 651 Y CA -0.141 58.022 58.100 0.105 0.000 1.106 651 Y CB 0.974 39.446 38.460 0.020 0.000 1.246 651 Y HN 0.844 nan 8.280 nan 0.000 0.415 652 A N 3.392 126.153 122.820 -0.098 0.000 3.251 652 A HA 0.519 4.839 4.320 -0.001 0.000 0.194 652 A C -1.195 176.439 177.584 0.083 0.000 1.365 652 A CA -0.199 51.855 52.037 0.028 0.000 1.543 652 A CB -0.154 18.819 19.000 -0.045 0.000 1.626 652 A HN 0.539 nan 8.150 nan 0.000 0.563 653 Y N 1.362 121.618 120.300 -0.074 0.000 2.578 653 Y HA 0.386 4.935 4.550 -0.001 0.000 0.339 653 Y C 1.122 177.004 175.900 -0.031 0.000 1.231 653 Y CA 0.228 58.318 58.100 -0.017 0.000 1.461 653 Y CB 0.353 38.829 38.460 0.028 0.000 1.323 653 Y HN 0.635 nan 8.280 nan 0.000 0.590 654 S N 0.459 116.247 115.700 0.145 0.000 2.579 654 S HA 0.941 5.410 4.470 -0.001 0.000 0.272 654 S C -1.306 173.408 174.600 0.191 0.000 1.141 654 S CA -0.733 57.560 58.200 0.154 0.000 0.843 654 S CB 1.843 65.111 63.200 0.114 0.000 1.122 654 S HN 0.927 nan 8.310 nan 0.000 0.468 655 A N 1.631 124.593 122.820 0.237 0.000 2.371 655 A HA 0.874 5.193 4.320 -0.001 0.000 0.311 655 A C -0.444 177.293 177.584 0.256 0.000 1.068 655 A CA -1.007 51.175 52.037 0.242 0.000 0.744 655 A CB 0.715 19.872 19.000 0.260 0.000 1.239 655 A HN 1.518 nan 8.150 nan 0.000 0.435 656 I N -1.104 119.603 120.570 0.229 0.000 2.647 656 I HA 0.879 5.049 4.170 -0.001 0.000 0.295 656 I C -0.596 175.649 176.117 0.215 0.000 1.078 656 I CA -0.503 60.928 61.300 0.219 0.000 1.048 656 I CB 2.422 40.523 38.000 0.168 0.000 1.239 656 I HN 0.474 nan 8.210 nan 0.000 0.421 657 T N 2.608 117.299 114.554 0.228 0.000 2.956 657 T HA 0.219 4.569 4.350 -0.001 0.000 0.312 657 T C -1.177 173.645 174.700 0.203 0.000 1.151 657 T CA -0.443 61.774 62.100 0.196 0.000 1.024 657 T CB 1.951 70.943 68.868 0.206 0.000 1.140 657 T HN 0.828 nan 8.240 nan 0.000 0.473 658 E N 3.960 124.268 120.200 0.180 0.000 2.265 658 E HA 0.277 4.627 4.350 -0.001 0.000 0.272 658 E C -0.237 176.463 176.600 0.166 0.000 1.067 658 E CA -0.258 56.273 56.400 0.217 0.000 0.900 658 E CB 0.367 30.203 29.700 0.227 0.000 1.017 658 E HN 0.482 nan 8.360 nan 0.000 0.431 659 L N 6.145 127.482 121.223 0.190 0.000 2.453 659 L HA 0.139 4.479 4.340 -0.001 0.000 0.261 659 L C -1.458 175.434 176.870 0.038 0.000 1.179 659 L CA -1.621 53.298 54.840 0.131 0.000 0.813 659 L CB 0.258 42.413 42.059 0.160 0.000 1.110 659 L HN 0.518 nan 8.230 nan 0.000 0.466 660 P HA -0.166 nan 4.420 nan 0.000 0.219 660 P C 0.354 177.509 177.300 -0.242 0.000 1.144 660 P CA 1.169 64.206 63.100 -0.106 0.000 0.806 660 P CB -0.072 31.578 31.700 -0.084 0.000 0.771 661 N N -2.294 116.296 118.700 -0.182 0.000 2.276 661 N HA -0.059 4.680 4.740 -0.001 0.000 0.212 661 N C 0.094 175.566 175.510 -0.063 0.000 1.127 661 N CA -0.311 52.618 53.050 -0.201 0.000 0.834 661 N CB -1.081 37.320 38.487 -0.144 0.000 1.014 661 N HN 0.163 nan 8.380 nan 0.000 0.491 662 H N -2.089 117.085 119.070 0.173 0.000 3.415 662 H HA -0.185 4.371 4.556 -0.000 0.000 0.213 662 H C -0.409 175.122 175.328 0.339 0.000 1.091 662 H CA 0.954 57.143 56.048 0.234 0.000 1.182 662 H CB -2.475 27.390 29.762 0.170 0.000 1.160 662 H HN 0.597 nan 8.280 nan 0.000 0.319 663 H N 0.396 119.580 119.070 0.189 0.000 2.603 663 H HA 0.279 4.835 4.556 -0.000 0.000 0.370 663 H C 1.085 176.506 175.328 0.155 0.000 1.225 663 H CA -0.340 55.789 56.048 0.136 0.000 1.410 663 H CB 1.122 30.941 29.762 0.094 0.000 1.495 663 H HN -0.025 nan 8.280 nan 0.000 0.602 664 I N 1.343 122.029 120.570 0.193 0.000 2.378 664 I HA 0.171 4.341 4.170 -0.001 0.000 0.291 664 I C 0.855 177.070 176.117 0.164 0.000 0.992 664 I CA -0.237 61.157 61.300 0.156 0.000 1.154 664 I CB 1.162 39.187 38.000 0.042 0.000 1.315 664 I HN 0.570 nan 8.210 nan 0.000 0.448 665 G N 5.672 114.610 108.800 0.230 0.000 2.332 665 G HA2 0.561 4.521 3.960 -0.001 0.000 0.310 665 G HA3 0.561 4.521 3.960 -0.001 0.000 0.310 665 G C -0.747 174.293 174.900 0.234 0.000 1.123 665 G CA -0.268 44.979 45.100 0.244 0.000 0.873 665 G HN 0.351 nan 8.290 nan 0.000 0.460 666 V N 3.166 123.142 119.914 0.104 0.000 2.483 666 V HA 0.466 4.585 4.120 -0.001 0.000 0.297 666 V C -0.662 175.689 176.094 0.428 0.000 1.027 666 V CA -0.844 61.617 62.300 0.268 0.000 0.855 666 V CB 1.431 33.397 31.823 0.238 0.000 0.995 666 V HN 0.645 nan 8.190 nan 0.000 0.424 667 L N 7.415 128.928 121.223 0.484 0.000 2.319 667 L HA 0.873 5.213 4.340 -0.001 0.000 0.281 667 L C -0.900 176.203 176.870 0.388 0.000 1.005 667 L CA -0.193 54.902 54.840 0.424 0.000 0.828 667 L CB 1.067 43.315 42.059 0.315 0.000 1.227 667 L HN 0.639 nan 8.230 nan 0.000 0.415 668 F N 0.993 121.002 119.950 0.097 0.000 2.631 668 F HA 0.598 5.125 4.527 -0.001 0.000 0.308 668 F C -0.661 175.116 175.800 -0.037 0.000 1.097 668 F CA -1.002 56.976 58.000 -0.037 0.000 0.952 668 F CB 1.179 40.048 39.000 -0.219 0.000 1.307 668 F HN 0.384 nan 8.300 nan 0.000 0.450 669 E N 2.101 122.322 120.200 0.035 0.000 2.104 669 E HA 0.071 4.420 4.350 -0.001 0.000 0.278 669 E C -0.550 176.099 176.600 0.082 0.000 1.127 669 E CA -0.233 56.207 56.400 0.068 0.000 0.897 669 E CB 0.837 30.609 29.700 0.120 0.000 1.043 669 E HN 0.474 nan 8.360 nan 0.000 0.410 670 K N 5.340 125.734 120.400 -0.010 0.000 2.751 670 K HA 0.083 4.403 4.320 -0.001 0.000 0.252 670 K C -1.325 175.376 176.600 0.170 0.000 1.277 670 K CA -0.043 56.274 56.287 0.050 0.000 1.226 670 K CB -0.216 32.158 32.500 -0.209 0.000 1.658 670 K HN 0.512 nan 8.250 nan 0.000 0.303 671 Y N -2.627 117.659 120.300 -0.023 0.000 2.851 671 Y HA 0.193 4.743 4.550 -0.001 0.000 0.359 671 Y C -1.811 174.108 175.900 0.030 0.000 1.231 671 Y CA -1.537 56.551 58.100 -0.020 0.000 1.106 671 Y CB 0.720 39.152 38.460 -0.046 0.000 1.409 671 Y HN -0.055 nan 8.280 nan 0.000 0.454 672 D N 1.797 122.093 120.400 -0.174 0.000 2.411 672 D HA 0.173 4.812 4.640 -0.001 0.000 0.225 672 D C 0.607 176.605 176.300 -0.504 0.000 1.156 672 D CA 0.502 54.360 54.000 -0.238 0.000 0.874 672 D CB 1.331 42.129 40.800 -0.004 0.000 1.034 672 D HN 0.684 nan 8.370 nan 0.000 0.502 673 S N 3.113 118.401 115.700 -0.685 0.000 2.603 673 S HA -0.024 4.446 4.470 -0.001 0.000 0.220 673 S C 1.493 176.005 174.600 -0.147 0.000 0.967 673 S CA -0.566 57.258 58.200 -0.626 0.000 0.920 673 S CB -0.134 62.679 63.200 -0.645 0.000 0.773 673 S HN 0.668 nan 8.310 nan 0.000 0.529 674 W N 1.999 123.161 121.300 -0.230 0.000 2.630 674 W HA 0.341 5.000 4.660 -0.001 0.000 0.275 674 W C 0.707 177.116 176.519 -0.183 0.000 1.192 674 W CA 0.230 57.445 57.345 -0.215 0.000 1.410 674 W CB -0.303 29.002 29.460 -0.258 0.000 1.075 674 W HN 0.353 nan 8.180 nan 0.000 0.581 675 S N 2.243 117.977 115.700 0.055 0.000 2.563 675 S HA -0.056 4.413 4.470 -0.001 0.000 0.294 675 S C 1.133 175.677 174.600 -0.094 0.000 1.279 675 S CA 0.003 58.204 58.200 0.002 0.000 1.069 675 S CB 0.613 63.843 63.200 0.050 0.000 0.828 675 S HN 0.137 nan 8.310 nan 0.000 0.497 676 R N 3.667 124.099 120.500 -0.112 0.000 2.323 676 R HA 0.047 4.387 4.340 -0.001 0.000 0.198 676 R C 1.190 177.445 176.300 -0.075 0.000 0.988 676 R CA 0.461 56.489 56.100 -0.121 0.000 1.041 676 R CB -1.175 29.057 30.300 -0.113 0.000 0.926 676 R HN 0.669 nan 8.270 nan 0.000 0.476 677 N N 1.094 119.772 118.700 -0.038 0.000 2.373 677 N HA -0.043 4.697 4.740 -0.001 0.000 0.181 677 N C 0.203 175.710 175.510 -0.005 0.000 1.082 677 N CA 0.521 53.563 53.050 -0.014 0.000 0.885 677 N CB 0.491 38.984 38.487 0.011 0.000 0.977 677 N HN 0.209 nan 8.380 nan 0.000 0.462 678 E N -0.124 120.076 120.200 0.001 0.000 2.685 678 E HA 0.143 4.492 4.350 -0.001 0.000 0.208 678 E C -0.489 176.133 176.600 0.036 0.000 0.996 678 E CA -0.197 56.244 56.400 0.067 0.000 1.054 678 E CB 0.715 30.524 29.700 0.181 0.000 1.075 678 E HN 0.300 nan 8.360 nan 0.000 0.460 679 L N 1.582 122.709 121.223 -0.160 0.000 2.436 679 L HA 0.141 4.481 4.340 -0.001 0.000 0.265 679 L C 0.322 176.918 176.870 -0.457 0.000 1.168 679 L CA -0.311 54.253 54.840 -0.460 0.000 0.815 679 L CB 0.031 41.553 42.059 -0.895 0.000 1.109 679 L HN 0.336 nan 8.230 nan 0.000 0.462 680 H N 1.010 119.920 119.070 -0.267 0.000 2.748 680 H HA -0.126 4.429 4.556 -0.001 0.000 0.322 680 H C -0.961 174.346 175.328 -0.035 0.000 1.208 680 H CA 0.229 56.041 56.048 -0.393 0.000 1.151 680 H CB -1.943 27.603 29.762 -0.360 0.000 1.505 680 H HN 0.362 nan 8.280 nan 0.000 0.429 681 L N 0.166 121.386 121.223 -0.007 0.000 2.309 681 L HA 0.468 4.808 4.340 -0.001 0.000 0.282 681 L C 0.738 177.645 176.870 0.063 0.000 1.036 681 L CA -0.604 54.232 54.840 -0.006 0.000 0.806 681 L CB 1.836 43.743 42.059 -0.253 0.000 1.220 681 L HN 0.052 nan 8.230 nan 0.000 0.429 682 S N 1.490 117.223 115.700 0.056 0.000 2.585 682 S HA 0.261 4.730 4.470 -0.001 0.000 0.277 682 S C 0.179 174.766 174.600 -0.020 0.000 1.241 682 S CA -0.573 57.608 58.200 -0.030 0.000 1.041 682 S CB 0.908 64.045 63.200 -0.105 0.000 0.987 682 S HN 0.757 nan 8.310 nan 0.000 0.512 683 N N 0.248 118.960 118.700 0.019 0.000 2.727 683 N HA -0.130 4.610 4.740 -0.001 0.000 0.249 683 N C 0.526 175.999 175.510 -0.062 0.000 1.048 683 N CA 0.958 54.018 53.050 0.016 0.000 0.714 683 N CB -1.835 36.683 38.487 0.052 0.000 0.959 683 N HN 0.553 nan 8.380 nan 0.000 0.544 684 V N -4.558 115.285 119.914 -0.119 0.000 3.565 684 V HA 0.211 4.330 4.120 -0.001 0.000 0.260 684 V C 1.015 177.002 176.094 -0.178 0.000 1.231 684 V CA 0.113 62.300 62.300 -0.189 0.000 1.100 684 V CB 0.627 32.265 31.823 -0.310 0.000 0.807 684 V HN 0.036 nan 8.190 nan 0.000 0.454 685 V N 3.193 123.040 119.914 -0.111 0.000 2.405 685 V HA 0.350 4.470 4.120 -0.001 0.000 0.264 685 V C -0.048 175.944 176.094 -0.169 0.000 1.048 685 V CA 0.300 62.527 62.300 -0.121 0.000 0.966 685 V CB 0.048 31.866 31.823 -0.008 0.000 1.015 685 V HN 0.655 nan 8.190 nan 0.000 0.477 686 Q N 3.493 123.097 119.800 -0.328 0.000 2.451 686 Q HA 0.553 4.893 4.340 -0.001 0.000 0.281 686 Q C -1.530 174.434 176.000 -0.060 0.000 1.099 686 Q CA -0.877 54.803 55.803 -0.204 0.000 0.806 686 Q CB 3.216 31.746 28.738 -0.347 0.000 1.419 686 Q HN 0.703 nan 8.270 nan 0.000 0.427 687 Y N 2.252 122.588 120.300 0.061 0.000 2.393 687 Y HA 0.668 5.218 4.550 -0.000 0.000 0.341 687 Y C -1.053 175.029 175.900 0.303 0.000 0.988 687 Y CA -0.827 57.371 58.100 0.163 0.000 1.078 687 Y CB 0.946 39.419 38.460 0.021 0.000 1.203 687 Y HN 0.628 nan 8.280 nan 0.000 0.453 688 I N 2.155 122.578 120.570 -0.245 0.000 3.042 688 I HA 0.585 4.754 4.170 -0.001 0.000 0.310 688 I C -1.685 174.184 176.117 -0.413 0.000 1.117 688 I CA -1.015 60.178 61.300 -0.178 0.000 1.003 688 I CB 2.519 40.639 38.000 0.200 0.000 1.228 688 I HN 0.533 nan 8.210 nan 0.000 0.443 689 D N 4.049 124.397 120.400 -0.086 0.000 2.502 689 D HA 0.612 5.251 4.640 -0.001 0.000 0.249 689 D C -1.478 174.885 176.300 0.105 0.000 1.092 689 D CA -0.232 53.789 54.000 0.036 0.000 0.839 689 D CB 2.098 42.991 40.800 0.154 0.000 1.264 689 D HN 0.601 nan 8.370 nan 0.000 0.511 690 L N 1.998 123.248 121.223 0.046 0.000 2.333 690 L HA 0.509 4.849 4.340 -0.001 0.000 0.263 690 L C 0.189 176.933 176.870 -0.211 0.000 1.014 690 L CA -0.918 53.861 54.840 -0.101 0.000 0.820 690 L CB 2.331 44.273 42.059 -0.196 0.000 1.352 690 L HN 0.279 nan 8.230 nan 0.000 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