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 2jkv_1_F DATA FIRST_RESID 2 DATA SEQUENCE AQADIALIGL AVMGQNLILN MNDHGFVVCA FNRTVSKVDD FLANEAKGTK DATA SEQUENCE VVGAQSLKEM VSKLKKPRRI ILLVKAGQAV DDFIEKLVPL LDTGDIIIDG DATA SEQUENCE GNSEYRDTTR RCRDLKAKGI LFVGSGVSGG EEGARYGPSL MPGGNKEAWP DATA SEQUENCE HIKTIFQGIA AKVGTGEPCC DWVGDEGAGH FVKMVHNGIE YGDMQLICEA DATA SEQUENCE YHLMKDVLGM AQDEMAQAFE DWNKTELDSF LIEITANILK FQDTDGKHLL DATA SEQUENCE PKIRDSAGQK GTGKWTAISA LEYGVPVTLI GEAVFARCLS SLKDERIQAS DATA SEQUENCE KKLKGPQKFQ FDGDKKSFLE DIRKALYASK IISYAQGFML LRQAATEFGW DATA SEQUENCE TLNYGGIALM WRGGCIIRSV FLGKIKDAFD RNPELQNLLL DDFFKSAVEN DATA SEQUENCE CQDSWRRAVS TGVQAGIPMP CFTTALSFYD GYRHEMLPAS LIQAQRDYFG DATA SEQUENCE AHTYELLAKP GQFIHTNWTG H 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.013 0.000 1.274 2 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2 A CB 0.000 19.002 19.000 0.004 0.000 0.831 3 Q N 0.132 119.942 119.800 0.017 0.000 2.390 3 Q HA 0.597 4.936 4.340 -0.001 0.000 0.216 3 Q C 1.027 177.048 176.000 0.035 0.000 0.916 3 Q CA 0.633 56.450 55.803 0.023 0.000 0.911 3 Q CB 0.114 28.864 28.738 0.021 0.000 1.035 3 Q HN 1.061 nan 8.270 nan 0.000 0.541 4 A N 1.594 124.435 122.820 0.036 0.000 2.354 4 A HA 0.126 4.445 4.320 -0.001 0.000 0.269 4 A C 0.029 177.645 177.584 0.054 0.000 1.109 4 A CA -0.370 51.697 52.037 0.050 0.000 0.800 4 A CB 0.411 19.438 19.000 0.045 0.000 1.045 4 A HN 0.216 nan 8.150 nan 0.000 0.489 5 D N 0.354 120.803 120.400 0.081 0.000 2.234 5 D HA 0.120 4.760 4.640 -0.001 0.000 0.205 5 D C 0.285 176.605 176.300 0.034 0.000 0.962 5 D CA 1.399 55.448 54.000 0.082 0.000 0.855 5 D CB 0.272 41.175 40.800 0.172 0.000 0.951 5 D HN 0.538 nan 8.370 nan 0.000 0.500 6 I N -0.905 119.685 120.570 0.034 0.000 2.842 6 I HA 0.398 4.568 4.170 -0.001 0.000 0.296 6 I C -2.047 174.084 176.117 0.023 0.000 1.538 6 I CA -0.712 60.595 61.300 0.010 0.000 0.994 6 I CB 1.940 39.925 38.000 -0.025 0.000 1.372 6 I HN -0.173 nan 8.210 nan 0.000 0.478 7 A N 6.011 128.840 122.820 0.015 0.000 2.356 7 A HA 0.895 5.215 4.320 -0.001 0.000 0.323 7 A C -1.850 175.739 177.584 0.008 0.000 1.119 7 A CA -0.561 51.488 52.037 0.020 0.000 0.790 7 A CB 1.737 20.744 19.000 0.011 0.000 1.273 7 A HN 0.719 nan 8.150 nan 0.000 0.452 8 L N 1.961 123.189 121.223 0.009 0.000 2.436 8 L HA 0.701 5.041 4.340 -0.001 0.000 0.268 8 L C -1.559 175.284 176.870 -0.045 0.000 0.974 8 L CA -0.537 54.286 54.840 -0.029 0.000 0.826 8 L CB 1.548 43.582 42.059 -0.041 0.000 1.291 8 L HN 0.665 nan 8.230 nan 0.000 0.406 9 I N 4.571 125.073 120.570 -0.112 0.000 2.354 9 I HA 0.756 4.926 4.170 -0.001 0.000 0.292 9 I C 0.210 176.188 176.117 -0.230 0.000 0.989 9 I CA -0.571 60.610 61.300 -0.198 0.000 1.188 9 I CB 1.674 39.426 38.000 -0.413 0.000 1.342 9 I HN 0.777 nan 8.210 nan 0.000 0.457 10 G N 6.025 114.696 108.800 -0.215 0.000 3.393 10 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.676 10 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.676 10 G C -0.871 173.903 174.900 -0.209 0.000 1.224 10 G CA -0.951 44.044 45.100 -0.175 0.000 1.109 10 G HN 0.559 nan 8.290 nan 0.000 0.519 11 L N 1.822 122.912 121.223 -0.222 0.000 3.141 11 L HA 0.565 4.904 4.340 -0.001 0.000 0.263 11 L C 1.362 178.093 176.870 -0.232 0.000 1.312 11 L CA 0.171 54.821 54.840 -0.316 0.000 1.012 11 L CB 0.167 42.000 42.059 -0.376 0.000 1.408 11 L HN 0.847 nan 8.230 nan 0.000 0.559 12 A N 0.035 122.757 122.820 -0.164 0.000 2.529 12 A HA 0.314 4.634 4.320 -0.001 0.000 0.269 12 A C 1.380 178.893 177.584 -0.119 0.000 1.509 12 A CA 0.212 52.180 52.037 -0.114 0.000 0.857 12 A CB 0.304 19.258 19.000 -0.077 0.000 1.531 12 A HN -0.033 nan 8.150 nan 0.000 0.541 13 V N -0.509 119.356 119.914 -0.081 0.000 2.252 13 V HA -0.234 3.885 4.120 -0.001 0.000 0.249 13 V C 2.274 178.317 176.094 -0.084 0.000 1.056 13 V CA 2.810 65.068 62.300 -0.070 0.000 1.022 13 V CB -0.678 31.116 31.823 -0.048 0.000 0.641 13 V HN 0.659 nan 8.190 nan 0.000 0.445 14 M N 0.338 119.887 119.600 -0.084 0.000 2.117 14 M HA -0.041 4.438 4.480 -0.001 0.000 0.262 14 M C 2.313 178.547 176.300 -0.110 0.000 1.065 14 M CA 2.042 57.289 55.300 -0.087 0.000 1.114 14 M CB -2.162 30.393 32.600 -0.074 0.000 1.361 14 M HN 0.501 nan 8.290 nan 0.000 0.408 15 G N -0.504 108.215 108.800 -0.136 0.000 2.414 15 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.215 15 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.215 15 G C 1.526 176.295 174.900 -0.219 0.000 1.188 15 G CA 0.354 45.351 45.100 -0.171 0.000 0.783 15 G HN 0.495 nan 8.290 nan 0.000 0.537 16 Q N 0.201 119.823 119.800 -0.297 0.000 2.061 16 Q HA -0.116 4.223 4.340 -0.001 0.000 0.204 16 Q C 2.548 178.522 176.000 -0.043 0.000 0.984 16 Q CA 1.290 56.885 55.803 -0.347 0.000 0.846 16 Q CB -0.209 28.355 28.738 -0.290 0.000 0.902 16 Q HN 0.437 nan 8.270 nan 0.000 0.421 17 N N 0.492 119.155 118.700 -0.061 0.000 2.188 17 N HA -0.130 4.609 4.740 -0.001 0.000 0.184 17 N C 1.831 177.299 175.510 -0.071 0.000 1.018 17 N CA 0.735 53.748 53.050 -0.061 0.000 0.858 17 N CB -0.096 38.335 38.487 -0.093 0.000 0.989 17 N HN 0.116 nan 8.380 nan 0.000 0.426 18 L N 1.642 122.817 121.223 -0.080 0.000 2.093 18 L HA 0.014 4.354 4.340 -0.001 0.000 0.208 18 L C 2.094 178.944 176.870 -0.034 0.000 1.085 18 L CA 0.950 55.741 54.840 -0.082 0.000 0.755 18 L CB -0.342 41.649 42.059 -0.113 0.000 0.904 18 L HN 0.085 nan 8.230 nan 0.000 0.435 19 I N -1.155 119.415 120.570 -0.001 0.000 2.179 19 I HA -0.355 3.814 4.170 -0.001 0.000 0.242 19 I C 2.270 178.457 176.117 0.117 0.000 1.088 19 I CA 1.439 62.786 61.300 0.078 0.000 1.357 19 I CB -0.308 37.780 38.000 0.147 0.000 1.051 19 I HN 0.230 nan 8.210 nan 0.000 0.409 20 L N 0.384 121.680 121.223 0.122 0.000 2.083 20 L HA -0.245 4.094 4.340 -0.001 0.000 0.209 20 L C 2.408 179.309 176.870 0.053 0.000 1.083 20 L CA 1.122 56.009 54.840 0.078 0.000 0.752 20 L CB -0.885 41.200 42.059 0.043 0.000 0.899 20 L HN 0.381 nan 8.230 nan 0.000 0.433 21 N N 0.829 119.547 118.700 0.031 0.000 2.058 21 N HA -0.194 4.546 4.740 -0.001 0.000 0.191 21 N C 1.907 177.564 175.510 0.245 0.000 1.037 21 N CA 1.807 54.913 53.050 0.094 0.000 0.848 21 N CB -0.111 38.388 38.487 0.020 0.000 1.021 21 N HN 0.241 nan 8.380 nan 0.000 0.422 22 M N 0.023 119.731 119.600 0.179 0.000 2.175 22 M HA -0.129 4.351 4.480 -0.001 0.000 0.264 22 M C 1.896 178.401 176.300 0.341 0.000 1.063 22 M CA 1.276 56.758 55.300 0.303 0.000 1.119 22 M CB -0.404 32.298 32.600 0.170 0.000 1.377 22 M HN 0.183 nan 8.290 nan 0.000 0.415 23 N N 0.897 119.716 118.700 0.199 0.000 2.069 23 N HA -0.206 4.533 4.740 -0.001 0.000 0.191 23 N C 1.088 176.645 175.510 0.078 0.000 1.031 23 N CA 1.835 54.963 53.050 0.129 0.000 0.852 23 N CB -0.100 38.436 38.487 0.082 0.000 1.018 23 N HN 0.176 nan 8.380 nan 0.000 0.423 24 D N -1.216 119.230 120.400 0.076 0.000 2.263 24 D HA -0.099 4.541 4.640 -0.001 0.000 0.208 24 D C 0.814 177.034 176.300 -0.133 0.000 0.971 24 D CA 1.003 54.989 54.000 -0.022 0.000 0.867 24 D CB -0.296 40.489 40.800 -0.026 0.000 0.929 24 D HN 0.558 nan 8.370 nan 0.000 0.492 25 H N -1.405 117.661 119.070 -0.007 0.000 2.526 25 H HA 0.335 4.891 4.556 -0.001 0.000 0.274 25 H C 1.489 176.563 175.328 -0.424 0.000 0.999 25 H CA 0.593 56.575 56.048 -0.110 0.000 1.157 25 H CB 0.546 30.350 29.762 0.070 0.000 1.407 25 H HN 0.149 nan 8.280 nan 0.000 0.568 26 G N -0.295 108.370 108.800 -0.226 0.000 2.175 26 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.244 26 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.244 26 G C -0.161 174.551 174.900 -0.314 0.000 0.982 26 G CA -0.332 44.592 45.100 -0.292 0.000 0.641 26 G HN 0.189 nan 8.290 nan 0.000 0.527 27 F N 0.820 120.808 119.950 0.063 0.000 2.427 27 F HA 0.563 5.090 4.527 -0.001 0.000 0.352 27 F C 0.946 176.770 175.800 0.040 0.000 1.100 27 F CA -0.916 57.113 58.000 0.048 0.000 1.191 27 F CB 1.517 40.548 39.000 0.051 0.000 1.128 27 F HN -0.054 nan 8.300 nan 0.000 0.533 28 V N 4.812 124.851 119.914 0.209 0.000 2.455 28 V HA 0.286 4.405 4.120 -0.001 0.000 0.273 28 V C -0.058 176.114 176.094 0.130 0.000 1.045 28 V CA -0.454 61.925 62.300 0.131 0.000 0.976 28 V CB 0.956 32.831 31.823 0.086 0.000 0.993 28 V HN 0.512 nan 8.190 nan 0.000 0.475 29 V N 4.620 124.603 119.914 0.114 0.000 2.555 29 V HA 0.345 4.464 4.120 -0.001 0.000 0.302 29 V C -0.083 176.067 176.094 0.094 0.000 1.038 29 V CA -0.637 61.724 62.300 0.102 0.000 0.887 29 V CB 1.849 33.739 31.823 0.113 0.000 0.991 29 V HN 0.962 nan 8.190 nan 0.000 0.434 30 C N 5.349 124.696 119.300 0.079 0.000 2.255 30 C HA 0.811 5.270 4.460 -0.001 0.000 0.326 30 C C 0.768 175.822 174.990 0.106 0.000 1.258 30 C CA -0.457 58.612 59.018 0.085 0.000 1.676 30 C CB -0.587 27.186 27.740 0.055 0.000 2.314 30 C HN 1.053 nan 8.230 nan 0.000 0.509 31 A N 5.769 128.678 122.820 0.148 0.000 2.309 31 A HA 0.822 5.141 4.320 -0.001 0.000 0.298 31 A C -0.899 176.819 177.584 0.224 0.000 1.165 31 A CA -0.231 51.900 52.037 0.156 0.000 0.821 31 A CB 0.440 19.569 19.000 0.216 0.000 1.102 31 A HN 0.976 nan 8.150 nan 0.000 0.500 32 F N 1.444 121.377 119.950 -0.028 0.000 2.662 32 F HA 0.689 5.215 4.527 -0.001 0.000 0.312 32 F C -0.812 174.952 175.800 -0.060 0.000 1.113 32 F CA -0.834 57.151 58.000 -0.025 0.000 0.951 32 F CB 2.112 41.100 39.000 -0.021 0.000 1.344 32 F HN 0.669 nan 8.300 nan 0.000 0.462 33 N N 1.377 119.454 118.700 -1.039 0.000 2.636 33 N HA 0.283 5.022 4.740 -0.001 0.000 0.261 33 N C 0.102 175.165 175.510 -0.745 0.000 1.195 33 N CA -0.542 52.126 53.050 -0.637 0.000 0.902 33 N CB 1.853 40.135 38.487 -0.341 0.000 1.627 33 N HN 0.692 nan 8.380 nan 0.000 0.491 34 R N 0.569 120.954 120.500 -0.192 0.000 2.097 34 R HA -0.048 4.292 4.340 -0.001 0.000 0.236 34 R C -0.269 175.953 176.300 -0.130 0.000 1.135 34 R CA 1.712 57.784 56.100 -0.046 0.000 0.934 34 R CB -0.649 29.693 30.300 0.070 0.000 0.846 34 R HN 0.630 nan 8.270 nan 0.000 0.431 35 T N 1.473 115.958 114.554 -0.116 0.000 2.775 35 T HA 0.135 4.484 4.350 -0.001 0.000 0.287 35 T C 1.055 175.678 174.700 -0.128 0.000 0.909 35 T CA -0.360 61.686 62.100 -0.089 0.000 1.081 35 T CB 1.543 70.377 68.868 -0.058 0.000 0.891 35 T HN 0.029 nan 8.240 nan 0.000 0.544 36 V N 3.201 123.056 119.914 -0.099 0.000 2.626 36 V HA -0.165 3.954 4.120 -0.001 0.000 0.252 36 V C 2.714 178.798 176.094 -0.018 0.000 1.067 36 V CA 1.902 64.156 62.300 -0.077 0.000 1.081 36 V CB -0.744 31.104 31.823 0.041 0.000 0.686 36 V HN 0.998 nan 8.190 nan 0.000 0.468 37 S N 0.434 116.130 115.700 -0.007 0.000 2.400 37 S HA -0.283 4.186 4.470 -0.001 0.000 0.232 37 S C 1.899 176.508 174.600 0.015 0.000 1.025 37 S CA 1.580 59.787 58.200 0.012 0.000 0.993 37 S CB -0.488 62.718 63.200 0.009 0.000 0.808 37 S HN 0.642 nan 8.310 nan 0.000 0.478 38 K N 0.572 120.967 120.400 -0.010 0.000 2.283 38 K HA 0.069 4.389 4.320 -0.001 0.000 0.202 38 K C 1.980 178.606 176.600 0.043 0.000 1.048 38 K CA 1.002 57.289 56.287 0.001 0.000 0.948 38 K CB -0.361 32.111 32.500 -0.047 0.000 0.742 38 K HN 0.298 nan 8.250 nan 0.000 0.458 39 V N 2.175 122.109 119.914 0.032 0.000 2.295 39 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 39 V C 1.733 177.918 176.094 0.152 0.000 1.049 39 V CA 1.897 64.261 62.300 0.107 0.000 1.024 39 V CB -0.346 31.538 31.823 0.103 0.000 0.648 39 V HN 0.340 nan 8.190 nan 0.000 0.447 40 D N -0.020 120.440 120.400 0.099 0.000 2.117 40 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 40 D C 1.810 178.157 176.300 0.078 0.000 0.982 40 D CA 1.503 55.551 54.000 0.079 0.000 0.828 40 D CB -0.280 40.554 40.800 0.057 0.000 0.967 40 D HN 0.432 nan 8.370 nan 0.000 0.464 41 D N 0.504 120.955 120.400 0.086 0.000 2.123 41 D HA -0.159 4.480 4.640 -0.001 0.000 0.196 41 D C 1.805 178.181 176.300 0.127 0.000 0.992 41 D CA 0.488 54.539 54.000 0.084 0.000 0.833 41 D CB -0.568 40.278 40.800 0.077 0.000 0.954 41 D HN 0.160 nan 8.370 nan 0.000 0.455 42 F N 1.202 121.149 119.950 -0.004 0.000 2.102 42 F HA -0.081 4.446 4.527 -0.001 0.000 0.298 42 F C 2.131 177.932 175.800 0.002 0.000 1.105 42 F CA 1.030 59.027 58.000 -0.004 0.000 1.239 42 F CB -0.459 38.536 39.000 -0.008 0.000 0.991 42 F HN -0.112 nan 8.300 nan 0.000 0.474 43 L N -0.395 120.793 121.223 -0.059 0.000 2.275 43 L HA -0.122 4.218 4.340 -0.001 0.000 0.215 43 L C 2.476 179.269 176.870 -0.129 0.000 1.119 43 L CA 0.980 55.725 54.840 -0.158 0.000 0.790 43 L CB -0.819 41.224 42.059 -0.026 0.000 0.919 43 L HN 0.246 nan 8.230 nan 0.000 0.443 44 A N -1.068 121.713 122.820 -0.066 0.000 2.132 44 A HA 0.007 4.326 4.320 -0.001 0.000 0.213 44 A C 1.690 179.239 177.584 -0.057 0.000 1.154 44 A CA 0.586 52.596 52.037 -0.045 0.000 0.753 44 A CB -0.057 18.938 19.000 -0.009 0.000 0.826 44 A HN 0.387 nan 8.150 nan 0.000 0.469 45 N N -0.865 117.787 118.700 -0.080 0.000 2.833 45 N HA 0.027 4.767 4.740 -0.001 0.000 0.168 45 N C 1.119 176.559 175.510 -0.117 0.000 1.383 45 N CA 0.517 53.531 53.050 -0.061 0.000 1.103 45 N CB -0.348 38.138 38.487 -0.001 0.000 1.235 45 N HN 0.162 nan 8.380 nan 0.000 0.437 46 E N 1.598 121.727 120.200 -0.118 0.000 2.160 46 E HA -0.022 4.327 4.350 -0.001 0.000 0.195 46 E C 0.966 177.370 176.600 -0.327 0.000 0.991 46 E CA 1.127 57.446 56.400 -0.135 0.000 0.810 46 E CB -0.118 29.624 29.700 0.071 0.000 0.742 46 E HN 0.428 nan 8.360 nan 0.000 0.466 47 A N 0.950 123.386 122.820 -0.639 0.000 2.460 47 A HA 0.066 4.385 4.320 -0.001 0.000 0.258 47 A C 1.549 178.951 177.584 -0.303 0.000 1.300 47 A CA -0.058 51.624 52.037 -0.591 0.000 0.913 47 A CB -0.361 18.019 19.000 -1.034 0.000 1.031 47 A HN 0.222 nan 8.150 nan 0.000 0.512 48 K N -0.765 119.509 120.400 -0.211 0.000 2.209 48 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 48 K C 1.063 177.609 176.600 -0.091 0.000 1.048 48 K CA 1.591 57.800 56.287 -0.129 0.000 0.940 48 K CB -0.249 32.198 32.500 -0.090 0.000 0.729 48 K HN 0.233 nan 8.250 nan 0.000 0.451 49 G N 2.042 110.791 108.800 -0.084 0.000 4.098 49 G HA2 0.134 4.094 3.960 -0.001 0.000 0.300 49 G HA3 0.134 4.094 3.960 -0.001 0.000 0.300 49 G C -0.229 174.638 174.900 -0.055 0.000 1.187 49 G CA -0.133 44.932 45.100 -0.058 0.000 0.964 49 G HN 0.459 nan 8.290 nan 0.000 0.559 50 T N -3.581 110.932 114.554 -0.069 0.000 2.905 50 T HA 0.462 4.812 4.350 -0.001 0.000 0.283 50 T C 0.670 175.351 174.700 -0.033 0.000 1.031 50 T CA -0.790 61.279 62.100 -0.052 0.000 1.002 50 T CB 2.112 70.939 68.868 -0.068 0.000 1.200 50 T HN -0.054 nan 8.240 nan 0.000 0.560 51 K N 0.311 120.705 120.400 -0.011 0.000 2.437 51 K HA 0.318 4.638 4.320 -0.001 0.000 0.198 51 K C -0.059 176.553 176.600 0.020 0.000 1.024 51 K CA -0.211 56.078 56.287 0.004 0.000 1.148 51 K CB 0.136 32.643 32.500 0.011 0.000 0.860 51 K HN 0.338 nan 8.250 nan 0.000 0.515 52 V N 2.636 122.558 119.914 0.013 0.000 2.655 52 V HA 0.013 4.133 4.120 -0.001 0.000 0.300 52 V C 0.389 176.507 176.094 0.040 0.000 1.044 52 V CA -0.427 61.899 62.300 0.043 0.000 1.095 52 V CB 0.824 32.676 31.823 0.048 0.000 0.952 52 V HN 0.040 nan 8.190 nan 0.000 0.485 53 V N 2.379 122.333 119.914 0.066 0.000 2.769 53 V HA 1.048 5.168 4.120 -0.001 0.000 0.312 53 V C 0.320 176.472 176.094 0.097 0.000 1.058 53 V CA -0.305 62.033 62.300 0.064 0.000 0.952 53 V CB 1.595 33.448 31.823 0.050 0.000 1.019 53 V HN 0.907 nan 8.190 nan 0.000 0.445 54 G N 0.660 109.519 108.800 0.097 0.000 2.489 54 G HA2 0.864 4.823 3.960 -0.001 0.000 0.327 54 G HA3 0.864 4.823 3.960 -0.001 0.000 0.327 54 G C -0.740 174.233 174.900 0.122 0.000 1.189 54 G CA -0.422 44.759 45.100 0.136 0.000 0.962 54 G HN 1.558 nan 8.290 nan 0.000 0.486 55 A N -0.004 122.922 122.820 0.177 0.000 2.413 55 A HA 0.681 5.000 4.320 -0.001 0.000 0.307 55 A C 0.221 177.949 177.584 0.240 0.000 1.087 55 A CA -0.584 51.524 52.037 0.119 0.000 0.750 55 A CB 1.828 20.812 19.000 -0.027 0.000 1.296 55 A HN 0.458 nan 8.150 nan 0.000 0.423 56 Q N 0.183 120.072 119.800 0.147 0.000 2.282 56 Q HA 0.180 4.519 4.340 -0.001 0.000 0.206 56 Q C 0.070 176.212 176.000 0.237 0.000 0.878 56 Q CA 0.839 56.778 55.803 0.226 0.000 0.944 56 Q CB 0.558 29.373 28.738 0.129 0.000 1.100 56 Q HN 0.920 nan 8.270 nan 0.000 0.509 57 S N -2.119 113.553 115.700 -0.047 0.000 2.565 57 S HA 0.399 4.868 4.470 -0.001 0.000 0.269 57 S C 0.540 174.722 174.600 -0.697 0.000 1.153 57 S CA -0.758 57.303 58.200 -0.232 0.000 0.835 57 S CB 0.609 63.771 63.200 -0.064 0.000 1.122 57 S HN 0.043 nan 8.310 nan 0.000 0.462 58 L N 1.227 122.083 121.223 -0.612 0.000 2.012 58 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 58 L C 2.704 179.423 176.870 -0.252 0.000 1.073 58 L CA 1.638 56.203 54.840 -0.458 0.000 0.748 58 L CB -0.590 41.389 42.059 -0.133 0.000 0.891 58 L HN 0.834 nan 8.230 nan 0.000 0.431 59 K N -0.207 120.100 120.400 -0.155 0.000 2.034 59 K HA -0.294 4.025 4.320 -0.001 0.000 0.214 59 K C 2.066 178.606 176.600 -0.100 0.000 1.051 59 K CA 2.126 58.357 56.287 -0.094 0.000 0.931 59 K CB -0.177 32.289 32.500 -0.057 0.000 0.715 59 K HN 0.300 nan 8.250 nan 0.000 0.446 60 E N 0.628 120.756 120.200 -0.120 0.000 2.077 60 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 60 E C 2.083 178.621 176.600 -0.103 0.000 0.989 60 E CA 1.075 57.420 56.400 -0.091 0.000 0.800 60 E CB -0.017 29.639 29.700 -0.072 0.000 0.746 60 E HN 0.271 nan 8.360 nan 0.000 0.452 61 M N 0.447 119.938 119.600 -0.182 0.000 2.080 61 M HA -0.172 4.307 4.480 -0.001 0.000 0.260 61 M C 2.177 178.424 176.300 -0.089 0.000 1.068 61 M CA 1.422 56.631 55.300 -0.150 0.000 1.109 61 M CB -0.014 32.423 32.600 -0.271 0.000 1.342 61 M HN 0.096 nan 8.290 nan 0.000 0.405 62 V N 0.682 120.539 119.914 -0.095 0.000 2.392 62 V HA -0.255 3.865 4.120 -0.001 0.000 0.249 62 V C 2.514 178.585 176.094 -0.038 0.000 1.059 62 V CA 2.090 64.357 62.300 -0.055 0.000 1.051 62 V CB -1.107 30.687 31.823 -0.049 0.000 0.658 62 V HN 0.741 nan 8.190 nan 0.000 0.455 63 S N -0.138 115.538 115.700 -0.041 0.000 2.447 63 S HA -0.147 4.323 4.470 -0.001 0.000 0.233 63 S C 1.709 176.299 174.600 -0.018 0.000 1.006 63 S CA 0.968 59.152 58.200 -0.027 0.000 0.957 63 S CB -0.391 62.793 63.200 -0.026 0.000 0.773 63 S HN 0.663 nan 8.310 nan 0.000 0.507 64 K N 0.457 120.847 120.400 -0.017 0.000 2.444 64 K HA 0.302 4.621 4.320 -0.001 0.000 0.193 64 K C -0.092 176.509 176.600 0.002 0.000 1.024 64 K CA 0.009 56.293 56.287 -0.004 0.000 1.077 64 K CB -0.080 32.421 32.500 0.002 0.000 0.833 64 K HN 0.399 nan 8.250 nan 0.000 0.517 65 L N 1.911 123.131 121.223 -0.005 0.000 2.312 65 L HA 0.178 4.517 4.340 -0.001 0.000 0.281 65 L C 0.085 176.954 176.870 -0.002 0.000 1.070 65 L CA -0.557 54.283 54.840 -0.001 0.000 0.805 65 L CB 1.012 43.066 42.059 -0.008 0.000 1.174 65 L HN -0.066 nan 8.230 nan 0.000 0.434 66 K N 2.969 123.372 120.400 0.005 0.000 2.382 66 K HA 0.183 4.503 4.320 -0.001 0.000 0.275 66 K C -0.487 176.106 176.600 -0.011 0.000 1.009 66 K CA -0.231 56.058 56.287 0.003 0.000 0.970 66 K CB 0.644 33.154 32.500 0.017 0.000 0.934 66 K HN 0.409 nan 8.250 nan 0.000 0.479 67 K N 3.193 123.582 120.400 -0.018 0.000 2.174 67 K HA 0.230 4.549 4.320 -0.001 0.000 0.275 67 K C -2.066 174.504 176.600 -0.049 0.000 1.015 67 K CA -1.710 54.554 56.287 -0.039 0.000 0.933 67 K CB 0.512 32.990 32.500 -0.036 0.000 1.025 67 K HN 0.473 nan 8.250 nan 0.000 0.463 68 P HA 0.077 nan 4.420 nan 0.000 0.271 68 P C -0.823 176.418 177.300 -0.099 0.000 1.220 68 P CA -0.115 62.898 63.100 -0.145 0.000 0.768 68 P CB 0.585 32.094 31.700 -0.319 0.000 0.848 69 R N 2.979 123.439 120.500 -0.067 0.000 2.570 69 R HA 0.226 4.565 4.340 -0.001 0.000 0.277 69 R C 0.427 176.705 176.300 -0.036 0.000 1.039 69 R CA 0.042 56.118 56.100 -0.039 0.000 1.065 69 R CB 0.442 30.726 30.300 -0.027 0.000 0.964 69 R HN 0.457 nan 8.270 nan 0.000 0.428 70 R N 2.809 123.297 120.500 -0.020 0.000 2.451 70 R HA 0.407 4.746 4.340 -0.001 0.000 0.307 70 R C -0.880 175.424 176.300 0.006 0.000 0.965 70 R CA -0.579 55.516 56.100 -0.008 0.000 0.865 70 R CB 1.324 31.619 30.300 -0.009 0.000 1.174 70 R HN 0.423 nan 8.270 nan 0.000 0.455 71 I N 4.048 124.628 120.570 0.015 0.000 2.466 71 I HA 0.401 4.570 4.170 -0.001 0.000 0.289 71 I C -0.329 175.801 176.117 0.022 0.000 1.026 71 I CA -0.409 60.900 61.300 0.014 0.000 1.078 71 I CB 1.948 39.956 38.000 0.014 0.000 1.249 71 I HN 0.434 nan 8.210 nan 0.000 0.429 72 I N 6.495 127.070 120.570 0.009 0.000 2.392 72 I HA 0.404 4.574 4.170 -0.001 0.000 0.295 72 I C -0.713 175.384 176.117 -0.034 0.000 0.985 72 I CA -0.676 60.629 61.300 0.008 0.000 1.221 72 I CB 1.297 39.298 38.000 0.001 0.000 1.366 72 I HN 0.290 nan 8.210 nan 0.000 0.467 73 L N 7.342 128.554 121.223 -0.019 0.000 2.287 73 L HA 0.469 4.809 4.340 -0.001 0.000 0.287 73 L C -0.412 176.443 176.870 -0.026 0.000 1.022 73 L CA -0.341 54.467 54.840 -0.052 0.000 0.814 73 L CB 1.190 43.254 42.059 0.009 0.000 1.217 73 L HN 0.487 nan 8.230 nan 0.000 0.420 74 L N 5.724 126.909 121.223 -0.064 0.000 2.637 74 L HA 0.368 4.707 4.340 -0.001 0.000 0.241 74 L C -0.337 176.508 176.870 -0.041 0.000 1.398 74 L CA -0.431 54.382 54.840 -0.044 0.000 0.895 74 L CB 1.091 43.109 42.059 -0.069 0.000 1.183 74 L HN 0.445 nan 8.230 nan 0.000 0.497 75 V N -2.198 117.717 119.914 0.002 0.000 3.103 75 V HA 0.493 4.613 4.120 -0.001 0.000 0.318 75 V C 0.183 176.310 176.094 0.054 0.000 1.114 75 V CA -1.335 60.987 62.300 0.038 0.000 1.020 75 V CB 1.833 33.729 31.823 0.122 0.000 1.085 75 V HN 0.429 nan 8.190 nan 0.000 0.446 76 K N 1.737 122.169 120.400 0.053 0.000 2.511 76 K HA 0.244 4.563 4.320 -0.001 0.000 0.277 76 K C 0.444 177.089 176.600 0.074 0.000 1.025 76 K CA 0.614 56.933 56.287 0.053 0.000 1.112 76 K CB 0.051 32.577 32.500 0.045 0.000 0.859 76 K HN 1.242 nan 8.250 nan 0.000 0.485 77 A N 3.817 126.685 122.820 0.080 0.000 2.483 77 A HA 0.486 4.806 4.320 -0.001 0.000 0.238 77 A C 0.883 178.520 177.584 0.088 0.000 1.070 77 A CA 0.623 52.716 52.037 0.094 0.000 0.770 77 A CB -0.063 19.026 19.000 0.149 0.000 1.008 77 A HN 1.137 nan 8.150 nan 0.000 0.497 78 G N -0.046 108.789 108.800 0.058 0.000 2.395 78 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.201 78 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.201 78 G C 0.645 175.557 174.900 0.020 0.000 1.206 78 G CA 0.663 45.783 45.100 0.032 0.000 1.210 78 G HN 1.008 nan 8.290 nan 0.000 0.557 79 Q N 0.530 120.336 119.800 0.009 0.000 2.124 79 Q HA 0.186 4.525 4.340 -0.001 0.000 0.202 79 Q C 2.903 178.902 176.000 -0.002 0.000 0.977 79 Q CA 3.445 59.243 55.803 -0.008 0.000 0.850 79 Q CB -0.887 27.840 28.738 -0.019 0.000 0.901 79 Q HN 1.497 nan 8.270 nan 0.000 0.429 80 A N -0.605 122.226 122.820 0.019 0.000 1.917 80 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 80 A C 2.271 179.940 177.584 0.142 0.000 1.182 80 A CA 1.849 53.907 52.037 0.036 0.000 0.633 80 A CB -0.927 18.132 19.000 0.098 0.000 0.819 80 A HN 0.280 nan 8.150 nan 0.000 0.448 81 V N 0.482 120.493 119.914 0.161 0.000 2.295 81 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 81 V C 2.189 178.376 176.094 0.155 0.000 1.049 81 V CA 2.248 64.675 62.300 0.212 0.000 1.024 81 V CB -0.755 31.165 31.823 0.161 0.000 0.648 81 V HN 0.531 nan 8.190 nan 0.000 0.447 82 D N -0.041 120.395 120.400 0.059 0.000 2.144 82 D HA -0.167 4.473 4.640 -0.001 0.000 0.199 82 D C 1.889 178.192 176.300 0.005 0.000 0.984 82 D CA 1.414 55.420 54.000 0.011 0.000 0.834 82 D CB -0.288 40.496 40.800 -0.027 0.000 0.955 82 D HN 0.428 nan 8.370 nan 0.000 0.465 83 D N 0.090 120.469 120.400 -0.035 0.000 2.104 83 D HA -0.151 4.489 4.640 -0.001 0.000 0.194 83 D C 2.003 178.235 176.300 -0.112 0.000 0.994 83 D CA 0.711 54.636 54.000 -0.125 0.000 0.830 83 D CB -0.478 40.172 40.800 -0.249 0.000 0.959 83 D HN 0.219 nan 8.370 nan 0.000 0.452 84 F N 0.680 120.657 119.950 0.045 0.000 2.146 84 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 84 F C 2.445 178.278 175.800 0.055 0.000 1.096 84 F CA 0.342 58.382 58.000 0.066 0.000 1.275 84 F CB -0.517 38.537 39.000 0.090 0.000 1.008 84 F HN -0.078 nan 8.300 nan 0.000 0.480 85 I N -0.057 120.646 120.570 0.222 0.000 2.208 85 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 85 I C 2.171 178.331 176.117 0.072 0.000 1.097 85 I CA 1.520 62.897 61.300 0.127 0.000 1.363 85 I CB -0.467 37.562 38.000 0.049 0.000 1.051 85 I HN 0.156 nan 8.210 nan 0.000 0.413 86 E N 0.728 120.952 120.200 0.041 0.000 2.077 86 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 86 E C 2.120 178.736 176.600 0.026 0.000 0.989 86 E CA 1.215 57.623 56.400 0.013 0.000 0.800 86 E CB -0.019 29.674 29.700 -0.012 0.000 0.746 86 E HN 0.420 nan 8.360 nan 0.000 0.452 87 K N 0.164 120.592 120.400 0.046 0.000 2.228 87 K HA -0.012 4.308 4.320 -0.001 0.000 0.202 87 K C 2.007 178.649 176.600 0.069 0.000 1.051 87 K CA 0.494 56.813 56.287 0.054 0.000 0.960 87 K CB 0.141 32.682 32.500 0.067 0.000 0.743 87 K HN 0.078 nan 8.250 nan 0.000 0.458 88 L N 0.168 121.448 121.223 0.095 0.000 2.095 88 L HA -0.130 4.209 4.340 -0.001 0.000 0.204 88 L C 2.164 179.062 176.870 0.047 0.000 1.080 88 L CA 0.582 55.469 54.840 0.078 0.000 0.759 88 L CB -0.286 41.836 42.059 0.106 0.000 0.914 88 L HN -0.054 nan 8.230 nan 0.000 0.439 89 V N 0.669 120.609 119.914 0.043 0.000 2.317 89 V HA -0.228 3.891 4.120 -0.001 0.000 0.251 89 V C -0.273 175.830 176.094 0.015 0.000 1.065 89 V CA 2.206 64.521 62.300 0.026 0.000 1.049 89 V CB -1.607 30.225 31.823 0.016 0.000 0.651 89 V HN 0.380 nan 8.190 nan 0.000 0.450 90 P HA -0.066 nan 4.420 nan 0.000 0.223 90 P C 1.537 178.839 177.300 0.003 0.000 1.151 90 P CA 1.202 64.305 63.100 0.005 0.000 0.787 90 P CB -0.042 31.661 31.700 0.005 0.000 0.788 91 L N -2.425 118.801 121.223 0.005 0.000 2.529 91 L HA 0.135 4.475 4.340 -0.001 0.000 0.223 91 L C 1.085 177.953 176.870 -0.003 0.000 1.113 91 L CA 0.040 54.879 54.840 -0.002 0.000 0.861 91 L CB -0.270 41.786 42.059 -0.006 0.000 1.012 91 L HN -0.045 nan 8.230 nan 0.000 0.461 92 L N -0.694 120.530 121.223 0.002 0.000 2.387 92 L HA 0.386 4.725 4.340 -0.001 0.000 0.266 92 L C -0.473 176.394 176.870 -0.005 0.000 1.059 92 L CA -0.683 54.157 54.840 -0.000 0.000 0.801 92 L CB 1.174 43.239 42.059 0.010 0.000 1.223 92 L HN -0.068 nan 8.230 nan 0.000 0.456 93 D N -0.435 119.958 120.400 -0.011 0.000 2.326 93 D HA 0.234 4.873 4.640 -0.001 0.000 0.248 93 D C -0.395 175.894 176.300 -0.017 0.000 1.001 93 D CA -0.370 53.622 54.000 -0.015 0.000 0.961 93 D CB 1.683 42.472 40.800 -0.020 0.000 1.183 93 D HN 0.380 nan 8.370 nan 0.000 0.502 94 T N 0.119 114.663 114.554 -0.016 0.000 2.908 94 T HA 0.373 4.723 4.350 -0.001 0.000 0.301 94 T C 1.249 175.928 174.700 -0.034 0.000 1.019 94 T CA 1.135 63.225 62.100 -0.017 0.000 1.152 94 T CB 0.460 69.320 68.868 -0.013 0.000 0.966 94 T HN 0.641 nan 8.240 nan 0.000 0.540 95 G N 3.326 112.103 108.800 -0.038 0.000 2.194 95 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.236 95 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.236 95 G C -0.057 174.778 174.900 -0.108 0.000 0.987 95 G CA -0.260 44.795 45.100 -0.076 0.000 0.635 95 G HN 0.667 nan 8.290 nan 0.000 0.520 96 D N 0.131 120.492 120.400 -0.064 0.000 2.360 96 D HA 0.579 5.218 4.640 -0.001 0.000 0.242 96 D C 0.778 177.061 176.300 -0.029 0.000 1.184 96 D CA 0.370 54.336 54.000 -0.056 0.000 0.930 96 D CB 0.911 41.696 40.800 -0.026 0.000 1.161 96 D HN 0.337 nan 8.370 nan 0.000 0.447 97 I N 1.372 121.929 120.570 -0.021 0.000 2.478 97 I HA 0.323 4.493 4.170 -0.001 0.000 0.287 97 I C -0.455 175.682 176.117 0.032 0.000 1.042 97 I CA -0.546 60.755 61.300 0.002 0.000 1.067 97 I CB 1.580 39.558 38.000 -0.036 0.000 1.233 97 I HN 0.038 nan 8.210 nan 0.000 0.431 98 I N 7.004 127.622 120.570 0.081 0.000 2.378 98 I HA 0.454 4.623 4.170 -0.001 0.000 0.291 98 I C -0.695 175.388 176.117 -0.056 0.000 0.992 98 I CA -0.566 60.795 61.300 0.102 0.000 1.154 98 I CB 1.925 40.086 38.000 0.269 0.000 1.315 98 I HN 0.383 nan 8.210 nan 0.000 0.448 99 I N 5.017 125.553 120.570 -0.058 0.000 2.390 99 I HA 0.200 4.370 4.170 -0.001 0.000 0.283 99 I C -0.461 175.615 176.117 -0.068 0.000 1.016 99 I CA -0.382 60.839 61.300 -0.132 0.000 1.151 99 I CB 1.297 39.322 38.000 0.041 0.000 1.293 99 I HN 0.434 nan 8.210 nan 0.000 0.458 100 D N 4.979 125.287 120.400 -0.154 0.000 2.352 100 D HA 0.252 4.891 4.640 -0.001 0.000 0.245 100 D C 1.046 177.429 176.300 0.139 0.000 1.224 100 D CA -0.057 53.992 54.000 0.082 0.000 0.879 100 D CB 1.504 42.470 40.800 0.276 0.000 1.057 100 D HN 0.690 nan 8.370 nan 0.000 0.491 101 G N 2.586 111.455 108.800 0.115 0.000 3.088 101 G HA2 0.247 4.206 3.960 -0.001 0.000 0.217 101 G HA3 0.247 4.206 3.960 -0.001 0.000 0.217 101 G C 0.794 175.776 174.900 0.137 0.000 1.159 101 G CA 0.064 45.229 45.100 0.109 0.000 0.760 101 G HN 0.551 nan 8.290 nan 0.000 0.550 102 G N 0.108 108.989 108.800 0.134 0.000 2.621 102 G HA2 0.281 4.241 3.960 -0.001 0.000 0.271 102 G HA3 0.281 4.241 3.960 -0.001 0.000 0.271 102 G C -0.139 174.797 174.900 0.060 0.000 1.236 102 G CA -0.679 44.467 45.100 0.077 0.000 0.958 102 G HN 0.077 nan 8.290 nan 0.000 0.512 103 N N 0.671 119.393 118.700 0.037 0.000 3.124 103 N HA 0.199 4.938 4.740 -0.001 0.000 0.284 103 N C -0.228 175.337 175.510 0.092 0.000 1.209 103 N CA 0.074 53.159 53.050 0.058 0.000 1.149 103 N CB 0.590 39.114 38.487 0.061 0.000 1.434 103 N HN 0.197 nan 8.380 nan 0.000 0.529 104 S N 0.340 115.889 115.700 -0.252 0.000 2.585 104 S HA 0.199 4.668 4.470 -0.001 0.000 0.277 104 S C 0.368 174.829 174.600 -0.233 0.000 1.241 104 S CA -0.745 57.314 58.200 -0.234 0.000 1.041 104 S CB 1.555 64.555 63.200 -0.333 0.000 0.987 104 S HN 0.361 nan 8.310 nan 0.000 0.512 105 E N 1.120 121.044 120.200 -0.460 0.000 2.465 105 E HA -0.069 4.281 4.350 -0.001 0.000 0.260 105 E C 0.508 176.980 176.600 -0.212 0.000 0.980 105 E CA 0.089 56.128 56.400 -0.601 0.000 0.927 105 E CB 0.181 29.306 29.700 -0.958 0.000 0.934 105 E HN 0.794 nan 8.360 nan 0.000 0.459 106 Y N 3.302 123.576 120.300 -0.044 0.000 2.256 106 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 106 Y C 1.750 177.681 175.900 0.052 0.000 1.155 106 Y CA 1.055 59.227 58.100 0.120 0.000 1.203 106 Y CB -0.211 38.455 38.460 0.343 0.000 0.980 106 Y HN 0.341 nan 8.280 nan 0.000 0.530 107 R N 0.519 120.586 120.500 -0.722 0.000 2.092 107 R HA -0.129 4.211 4.340 -0.001 0.000 0.231 107 R C 1.623 177.778 176.300 -0.242 0.000 1.119 107 R CA 1.414 57.210 56.100 -0.507 0.000 0.970 107 R CB -0.350 29.599 30.300 -0.584 0.000 0.864 107 R HN 0.406 nan 8.270 nan 0.000 0.440 108 D N -0.233 120.028 120.400 -0.232 0.000 2.117 108 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 108 D C 1.735 178.003 176.300 -0.053 0.000 0.987 108 D CA 1.435 55.347 54.000 -0.147 0.000 0.829 108 D CB -0.211 40.492 40.800 -0.161 0.000 0.961 108 D HN 0.138 nan 8.370 nan 0.000 0.460 109 T N 0.035 114.618 114.554 0.048 0.000 2.777 109 T HA -0.100 4.250 4.350 -0.001 0.000 0.266 109 T C 2.003 176.808 174.700 0.176 0.000 1.040 109 T CA 1.515 63.762 62.100 0.244 0.000 1.141 109 T CB -0.422 68.700 68.868 0.423 0.000 0.868 109 T HN 0.130 nan 8.240 nan 0.000 0.444 110 T N 1.620 116.237 114.554 0.104 0.000 2.684 110 T HA -0.125 4.224 4.350 -0.001 0.000 0.267 110 T C 2.047 176.759 174.700 0.020 0.000 1.036 110 T CA 1.381 63.532 62.100 0.085 0.000 1.148 110 T CB -0.191 68.716 68.868 0.065 0.000 0.863 110 T HN 0.371 nan 8.240 nan 0.000 0.436 111 R N 0.856 121.333 120.500 -0.039 0.000 2.083 111 R HA -0.076 4.264 4.340 -0.001 0.000 0.237 111 R C 2.512 178.739 176.300 -0.121 0.000 1.137 111 R CA 1.519 57.575 56.100 -0.074 0.000 0.951 111 R CB -0.111 30.131 30.300 -0.096 0.000 0.851 111 R HN 0.287 nan 8.270 nan 0.000 0.434 112 R N -0.241 120.135 120.500 -0.208 0.000 2.096 112 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 112 R C 2.643 178.683 176.300 -0.434 0.000 1.127 112 R CA 1.498 57.333 56.100 -0.442 0.000 0.968 112 R CB -0.760 29.061 30.300 -0.797 0.000 0.861 112 R HN 0.374 nan 8.270 nan 0.000 0.440 113 C N 0.714 119.910 119.300 -0.174 0.000 2.429 113 C HA -0.055 4.405 4.460 -0.001 0.000 0.277 113 C C 2.502 177.520 174.990 0.047 0.000 1.262 113 C CA 0.897 59.978 59.018 0.105 0.000 1.733 113 C CB -0.630 27.285 27.740 0.292 0.000 2.010 113 C HN 0.395 nan 8.230 nan 0.000 0.483 114 R N 0.349 120.857 120.500 0.012 0.000 2.075 114 R HA -0.097 4.242 4.340 -0.001 0.000 0.232 114 R C 1.974 178.265 176.300 -0.014 0.000 1.126 114 R CA 1.947 58.055 56.100 0.012 0.000 0.963 114 R CB -0.540 29.767 30.300 0.011 0.000 0.858 114 R HN 0.657 nan 8.270 nan 0.000 0.435 115 D N 0.738 121.106 120.400 -0.053 0.000 2.097 115 D HA -0.140 4.499 4.640 -0.001 0.000 0.195 115 D C 1.778 178.051 176.300 -0.046 0.000 0.989 115 D CA 1.207 55.173 54.000 -0.058 0.000 0.827 115 D CB 0.023 40.769 40.800 -0.090 0.000 0.966 115 D HN 0.102 nan 8.370 nan 0.000 0.456 116 L N -0.169 121.016 121.223 -0.063 0.000 2.109 116 L HA -0.072 4.267 4.340 -0.001 0.000 0.207 116 L C 2.604 179.485 176.870 0.019 0.000 1.086 116 L CA 0.865 55.691 54.840 -0.024 0.000 0.760 116 L CB -0.454 41.593 42.059 -0.020 0.000 0.910 116 L HN 0.073 nan 8.230 nan 0.000 0.437 117 K N 0.768 121.188 120.400 0.032 0.000 2.032 117 K HA -0.226 4.093 4.320 -0.001 0.000 0.209 117 K C 2.118 178.731 176.600 0.022 0.000 1.048 117 K CA 1.594 57.905 56.287 0.041 0.000 0.927 117 K CB -0.154 32.376 32.500 0.050 0.000 0.712 117 K HN 0.265 nan 8.250 nan 0.000 0.441 118 A N 1.022 123.849 122.820 0.012 0.000 2.076 118 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 118 A C 1.462 179.048 177.584 0.003 0.000 1.160 118 A CA 1.533 53.573 52.037 0.006 0.000 0.653 118 A CB -0.216 18.784 19.000 -0.001 0.000 0.801 118 A HN 0.329 nan 8.150 nan 0.000 0.455 119 K N -1.534 118.868 120.400 0.003 0.000 2.397 119 K HA 0.285 4.605 4.320 -0.001 0.000 0.202 119 K C 0.904 177.508 176.600 0.006 0.000 1.022 119 K CA 0.395 56.683 56.287 0.002 0.000 1.141 119 K CB 0.135 32.634 32.500 -0.002 0.000 0.857 119 K HN 0.592 nan 8.250 nan 0.000 0.514 120 G N 1.866 110.672 108.800 0.011 0.000 2.143 120 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.249 120 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.249 120 G C 0.072 174.980 174.900 0.014 0.000 0.981 120 G CA -0.080 45.026 45.100 0.009 0.000 0.665 120 G HN 0.279 nan 8.290 nan 0.000 0.528 121 I N 1.166 121.754 120.570 0.029 0.000 2.377 121 I HA 0.417 4.586 4.170 -0.001 0.000 0.293 121 I C 0.635 176.803 176.117 0.084 0.000 0.987 121 I CA -1.013 60.315 61.300 0.047 0.000 1.185 121 I CB 1.461 39.494 38.000 0.055 0.000 1.341 121 I HN -0.073 nan 8.210 nan 0.000 0.455 122 L N 6.329 127.599 121.223 0.079 0.000 2.278 122 L HA 0.355 4.694 4.340 -0.001 0.000 0.287 122 L C -0.659 176.317 176.870 0.176 0.000 1.072 122 L CA -0.194 54.708 54.840 0.103 0.000 0.819 122 L CB 0.329 42.414 42.059 0.043 0.000 1.176 122 L HN 0.435 nan 8.230 nan 0.000 0.435 123 F N 4.359 124.340 119.950 0.050 0.000 2.427 123 F HA 0.584 5.111 4.527 -0.001 0.000 0.346 123 F C -0.428 175.425 175.800 0.090 0.000 1.120 123 F CA -0.609 57.428 58.000 0.062 0.000 1.033 123 F CB 1.499 40.532 39.000 0.056 0.000 1.126 123 F HN 0.042 nan 8.300 nan 0.000 0.462 124 V N 5.135 124.682 119.914 -0.613 0.000 2.448 124 V HA 0.631 4.751 4.120 -0.001 0.000 0.295 124 V C 0.157 175.776 176.094 -0.791 0.000 1.025 124 V CA -0.746 61.283 62.300 -0.453 0.000 0.859 124 V CB 1.478 33.191 31.823 -0.183 0.000 0.988 124 V HN 0.954 nan 8.190 nan 0.000 0.431 125 G N 2.150 110.619 108.800 -0.553 0.000 2.384 125 G HA2 0.534 4.494 3.960 -0.001 0.000 0.316 125 G HA3 0.534 4.494 3.960 -0.001 0.000 0.316 125 G C -0.501 173.953 174.900 -0.743 0.000 1.160 125 G CA -0.289 44.528 45.100 -0.472 0.000 0.936 125 G HN 0.663 nan 8.290 nan 0.000 0.455 126 S N 1.556 116.892 115.700 -0.605 0.000 2.532 126 S HA 0.730 5.200 4.470 -0.001 0.000 0.299 126 S C 0.551 174.987 174.600 -0.272 0.000 1.105 126 S CA -0.288 57.672 58.200 -0.400 0.000 1.018 126 S CB 1.186 64.375 63.200 -0.018 0.000 1.021 126 S HN 0.932 nan 8.310 nan 0.000 0.483 127 G N 2.187 110.852 108.800 -0.224 0.000 2.467 127 G HA2 0.527 4.487 3.960 -0.001 0.000 0.257 127 G HA3 0.527 4.487 3.960 -0.001 0.000 0.257 127 G C -0.941 173.927 174.900 -0.053 0.000 1.227 127 G CA -0.307 44.768 45.100 -0.042 0.000 0.835 127 G HN 0.784 nan 8.290 nan 0.000 0.556 128 V N 0.981 120.859 119.914 -0.059 0.000 2.483 128 V HA 0.583 4.702 4.120 -0.001 0.000 0.297 128 V C 0.088 176.091 176.094 -0.151 0.000 1.027 128 V CA -0.744 61.500 62.300 -0.094 0.000 0.855 128 V CB 1.409 33.183 31.823 -0.082 0.000 0.995 128 V HN 0.813 nan 8.190 nan 0.000 0.424 129 S N 2.570 118.164 115.700 -0.177 0.000 2.607 129 S HA 0.840 5.309 4.470 -0.001 0.000 0.303 129 S C 0.731 175.241 174.600 -0.149 0.000 1.086 129 S CA 0.557 58.616 58.200 -0.236 0.000 0.995 129 S CB 1.711 64.673 63.200 -0.396 0.000 1.084 129 S HN 1.780 nan 8.310 nan 0.000 0.507 130 G N 1.090 109.798 108.800 -0.153 0.000 2.205 130 G HA2 0.198 4.158 3.960 -0.001 0.000 0.180 130 G HA3 0.198 4.158 3.960 -0.001 0.000 0.180 130 G C 1.218 176.034 174.900 -0.141 0.000 1.004 130 G CA 0.373 45.362 45.100 -0.185 0.000 0.670 130 G HN 1.951 nan 8.290 nan 0.000 0.496 131 G N 0.317 109.061 108.800 -0.094 0.000 2.578 131 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.275 131 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.275 131 G C 0.810 175.683 174.900 -0.045 0.000 1.271 131 G CA 1.245 46.313 45.100 -0.054 0.000 0.941 131 G HN 1.364 nan 8.290 nan 0.000 0.564 132 E N -0.270 119.917 120.200 -0.022 0.000 2.038 132 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 132 E C 2.268 178.862 176.600 -0.010 0.000 1.000 132 E CA 1.943 58.331 56.400 -0.020 0.000 0.803 132 E CB -0.197 29.502 29.700 -0.003 0.000 0.750 132 E HN 0.611 nan 8.360 nan 0.000 0.448 133 E N -0.637 119.587 120.200 0.040 0.000 2.072 133 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 133 E C 1.946 178.601 176.600 0.092 0.000 0.985 133 E CA 1.266 57.736 56.400 0.116 0.000 0.801 133 E CB -0.388 29.416 29.700 0.172 0.000 0.750 133 E HN 0.401 nan 8.360 nan 0.000 0.452 134 G N 0.541 109.345 108.800 0.006 0.000 2.446 134 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.217 134 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.217 134 G C 1.668 176.548 174.900 -0.033 0.000 1.168 134 G CA 0.979 46.067 45.100 -0.021 0.000 0.771 134 G HN 0.419 nan 8.290 nan 0.000 0.551 135 A N 0.588 123.368 122.820 -0.066 0.000 1.908 135 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 135 A C 2.363 179.874 177.584 -0.122 0.000 1.181 135 A CA 2.249 54.230 52.037 -0.093 0.000 0.627 135 A CB -0.396 18.548 19.000 -0.094 0.000 0.818 135 A HN 0.316 nan 8.150 nan 0.000 0.445 136 R N -1.660 118.732 120.500 -0.180 0.000 2.075 136 R HA -0.080 4.260 4.340 -0.001 0.000 0.232 136 R C 1.139 177.119 176.300 -0.534 0.000 1.126 136 R CA 1.912 57.758 56.100 -0.424 0.000 0.963 136 R CB -0.524 29.389 30.300 -0.645 0.000 0.858 136 R HN 0.605 nan 8.270 nan 0.000 0.435 137 Y N -2.822 117.503 120.300 0.042 0.000 2.467 137 Y HA 0.493 5.043 4.550 -0.001 0.000 0.259 137 Y C 0.337 176.282 175.900 0.075 0.000 1.084 137 Y CA 0.136 58.276 58.100 0.067 0.000 1.275 137 Y CB 1.479 39.969 38.460 0.051 0.000 1.208 137 Y HN 0.137 nan 8.280 nan 0.000 0.511 138 G N 1.295 110.181 108.800 0.143 0.000 2.110 138 G HA2 0.275 4.234 3.960 -0.001 0.000 0.218 138 G HA3 0.275 4.234 3.960 -0.001 0.000 0.218 138 G C -3.485 171.432 174.900 0.028 0.000 2.460 138 G CA -0.899 44.250 45.100 0.082 0.000 0.838 138 G HN -0.264 nan 8.290 nan 0.000 0.534 139 P HA 0.535 nan 4.420 nan 0.000 0.283 139 P C 0.161 177.450 177.300 -0.017 0.000 1.271 139 P CA -0.554 62.520 63.100 -0.043 0.000 0.841 139 P CB 1.693 33.341 31.700 -0.087 0.000 1.122 140 S N 0.881 116.578 115.700 -0.005 0.000 2.505 140 S HA 0.374 4.843 4.470 -0.001 0.000 0.276 140 S C -0.469 174.137 174.600 0.010 0.000 1.274 140 S CA -0.368 57.860 58.200 0.047 0.000 1.053 140 S CB -0.975 62.298 63.200 0.121 0.000 0.919 140 S HN 0.216 nan 8.310 nan 0.000 0.490 141 L N 5.397 126.642 121.223 0.035 0.000 2.362 141 L HA 0.524 4.863 4.340 -0.001 0.000 0.275 141 L C -0.467 176.421 176.870 0.029 0.000 0.998 141 L CA -0.392 54.468 54.840 0.034 0.000 0.820 141 L CB 1.783 43.894 42.059 0.086 0.000 1.270 141 L HN 0.631 nan 8.230 nan 0.000 0.415 142 M N 4.720 124.300 119.600 -0.034 0.000 2.386 142 M HA 0.312 4.792 4.480 -0.001 0.000 0.245 142 M C -2.550 173.574 176.300 -0.294 0.000 0.982 142 M CA -1.494 53.716 55.300 -0.150 0.000 0.860 142 M CB 1.033 33.572 32.600 -0.102 0.000 1.371 142 M HN 0.141 nan 8.290 nan 0.000 0.425 143 P HA 0.364 nan 4.420 nan 0.000 0.276 143 P C -0.043 176.564 177.300 -1.155 0.000 1.243 143 P CA 0.048 62.839 63.100 -0.515 0.000 0.768 143 P CB 1.195 32.698 31.700 -0.328 0.000 0.856 144 G N 0.807 108.916 108.800 -1.151 0.000 2.708 144 G HA2 0.736 4.696 3.960 -0.001 0.000 0.289 144 G HA3 0.736 4.696 3.960 -0.001 0.000 0.289 144 G C -0.435 174.000 174.900 -0.775 0.000 1.416 144 G CA -0.456 43.754 45.100 -1.483 0.000 0.829 144 G HN 0.747 nan 8.290 nan 0.000 0.480 145 G N -0.026 108.562 108.800 -0.354 0.000 2.254 145 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.193 145 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.193 145 G C -0.603 174.512 174.900 0.358 0.000 1.233 145 G CA 0.042 45.190 45.100 0.078 0.000 1.290 145 G HN 1.128 nan 8.290 nan 0.000 0.517 146 N N 1.546 120.447 118.700 0.334 0.000 2.439 146 N HA 0.239 4.979 4.740 -0.001 0.000 0.243 146 N C 1.062 176.607 175.510 0.059 0.000 1.088 146 N CA 0.014 53.190 53.050 0.211 0.000 0.940 146 N CB 1.238 39.817 38.487 0.154 0.000 1.180 146 N HN 0.629 nan 8.380 nan 0.000 0.505 147 K N 2.262 122.599 120.400 -0.105 0.000 2.442 147 K HA -0.132 4.188 4.320 -0.001 0.000 0.198 147 K C 1.155 177.490 176.600 -0.441 0.000 1.044 147 K CA 0.837 56.675 56.287 -0.748 0.000 0.948 147 K CB 0.243 32.335 32.500 -0.681 0.000 0.762 147 K HN 0.612 nan 8.250 nan 0.000 0.472 148 E N -0.275 119.817 120.200 -0.179 0.000 2.265 148 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 148 E C 1.392 177.985 176.600 -0.012 0.000 0.996 148 E CA 0.788 57.140 56.400 -0.080 0.000 0.832 148 E CB 0.054 29.745 29.700 -0.015 0.000 0.756 148 E HN 0.400 nan 8.360 nan 0.000 0.491 149 A N 0.938 123.733 122.820 -0.043 0.000 2.072 149 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 149 A C 1.861 179.439 177.584 -0.011 0.000 1.156 149 A CA 0.356 52.414 52.037 0.035 0.000 0.701 149 A CB -0.982 18.029 19.000 0.018 0.000 0.816 149 A HN 0.681 nan 8.150 nan 0.000 0.458 150 W N 1.669 122.704 121.300 -0.442 0.000 2.318 150 W HA -0.167 4.492 4.660 -0.001 0.000 0.313 150 W C -1.430 174.896 176.519 -0.323 0.000 1.221 150 W CA 1.995 59.056 57.345 -0.474 0.000 1.266 150 W CB -0.911 28.063 29.460 -0.809 0.000 1.150 150 W HN 0.274 nan 8.180 nan 0.000 0.496 151 P HA -0.140 nan 4.420 nan 0.000 0.222 151 P C 0.427 177.376 177.300 -0.585 0.000 1.147 151 P CA 1.895 64.625 63.100 -0.617 0.000 0.790 151 P CB -0.350 31.023 31.700 -0.544 0.000 0.780 152 H N -1.750 117.157 119.070 -0.271 0.000 2.548 152 H HA 0.163 4.718 4.556 -0.001 0.000 0.265 152 H C 1.595 176.788 175.328 -0.226 0.000 0.969 152 H CA 0.555 56.481 56.048 -0.203 0.000 1.155 152 H CB -0.300 29.380 29.762 -0.137 0.000 1.394 152 H HN 0.252 nan 8.280 nan 0.000 0.570 153 I N -3.401 117.020 120.570 -0.248 0.000 4.526 153 I HA 0.204 4.373 4.170 -0.001 0.000 0.330 153 I C 1.782 177.664 176.117 -0.391 0.000 1.323 153 I CA -0.161 60.969 61.300 -0.283 0.000 1.218 153 I CB 0.279 38.035 38.000 -0.406 0.000 1.233 153 I HN -0.153 nan 8.210 nan 0.000 0.430 154 K N 1.791 121.751 120.400 -0.734 0.000 2.074 154 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 154 K C 1.787 178.162 176.600 -0.374 0.000 1.048 154 K CA 2.462 58.151 56.287 -0.997 0.000 0.926 154 K CB -0.180 31.485 32.500 -1.392 0.000 0.713 154 K HN 0.396 nan 8.250 nan 0.000 0.444 155 T N 1.372 115.773 114.554 -0.255 0.000 2.708 155 T HA -0.086 4.264 4.350 -0.001 0.000 0.266 155 T C 1.853 176.553 174.700 0.001 0.000 1.037 155 T CA 1.485 63.536 62.100 -0.081 0.000 1.146 155 T CB -0.103 68.747 68.868 -0.030 0.000 0.865 155 T HN 0.191 nan 8.240 nan 0.000 0.435 156 I N -0.090 120.419 120.570 -0.102 0.000 2.202 156 I HA -0.103 4.066 4.170 -0.001 0.000 0.242 156 I C 2.070 178.165 176.117 -0.037 0.000 1.091 156 I CA 1.247 62.380 61.300 -0.278 0.000 1.368 156 I CB -0.335 37.334 38.000 -0.551 0.000 1.058 156 I HN 0.137 nan 8.210 nan 0.000 0.410 157 F N 1.294 121.151 119.950 -0.155 0.000 2.075 157 F HA -0.247 4.279 4.527 -0.001 0.000 0.297 157 F C 2.743 178.538 175.800 -0.007 0.000 1.113 157 F CA 1.590 59.565 58.000 -0.042 0.000 1.218 157 F CB -0.839 38.219 39.000 0.096 0.000 0.984 157 F HN 0.077 nan 8.300 nan 0.000 0.472 158 Q N -0.623 119.295 119.800 0.196 0.000 2.224 158 Q HA -0.074 4.266 4.340 -0.001 0.000 0.203 158 Q C 2.521 178.554 176.000 0.056 0.000 0.970 158 Q CA 0.978 56.859 55.803 0.129 0.000 0.865 158 Q CB -0.585 28.222 28.738 0.114 0.000 0.922 158 Q HN 0.517 nan 8.270 nan 0.000 0.445 159 G N 1.664 110.485 108.800 0.036 0.000 2.402 159 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.216 159 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.216 159 G C 1.452 176.205 174.900 -0.245 0.000 1.162 159 G CA 0.896 46.004 45.100 0.013 0.000 0.777 159 G HN 0.506 nan 8.290 nan 0.000 0.539 160 I N -1.355 119.032 120.570 -0.305 0.000 3.603 160 I HA 0.545 4.715 4.170 -0.001 0.000 0.297 160 I C 1.346 177.348 176.117 -0.190 0.000 1.269 160 I CA -0.270 60.747 61.300 -0.472 0.000 1.361 160 I CB -0.029 37.768 38.000 -0.337 0.000 1.063 160 I HN 0.081 nan 8.210 nan 0.000 0.448 161 A N 2.126 124.890 122.820 -0.093 0.000 2.425 161 A HA 0.598 4.918 4.320 -0.001 0.000 0.242 161 A C 0.871 178.472 177.584 0.028 0.000 1.077 161 A CA 0.185 52.211 52.037 -0.018 0.000 0.781 161 A CB -0.015 19.008 19.000 0.038 0.000 1.020 161 A HN 0.563 nan 8.150 nan 0.000 0.494 162 A N 2.441 125.286 122.820 0.042 0.000 2.584 162 A HA 0.374 4.694 4.320 -0.001 0.000 0.239 162 A C 0.354 177.982 177.584 0.073 0.000 1.043 162 A CA 0.300 52.377 52.037 0.066 0.000 0.756 162 A CB -0.105 18.931 19.000 0.060 0.000 0.963 162 A HN 0.643 nan 8.150 nan 0.000 0.511 163 K N 1.651 122.098 120.400 0.079 0.000 2.138 163 K HA 0.550 4.870 4.320 -0.001 0.000 0.263 163 K C -0.108 176.535 176.600 0.070 0.000 0.965 163 K CA -0.503 55.829 56.287 0.075 0.000 0.868 163 K CB 1.523 34.069 32.500 0.077 0.000 1.083 163 K HN 0.720 nan 8.250 nan 0.000 0.443 164 V N -1.877 118.078 119.914 0.068 0.000 2.881 164 V HA 0.723 4.842 4.120 -0.001 0.000 0.316 164 V C 1.170 177.298 176.094 0.056 0.000 1.070 164 V CA 0.100 62.439 62.300 0.064 0.000 0.976 164 V CB 1.023 32.888 31.823 0.070 0.000 1.038 164 V HN 0.919 nan 8.190 nan 0.000 0.446 165 G N 2.079 110.910 108.800 0.051 0.000 2.713 165 G HA2 -0.458 3.501 3.960 -0.001 0.000 0.368 165 G HA3 -0.458 3.501 3.960 -0.001 0.000 0.368 165 G C 1.186 176.110 174.900 0.041 0.000 1.095 165 G CA 2.246 47.373 45.100 0.044 0.000 0.935 165 G HN 2.206 nan 8.290 nan 0.000 0.696 166 T N 0.315 114.893 114.554 0.040 0.000 3.163 166 T HA 0.479 4.828 4.350 -0.001 0.000 0.260 166 T C 2.694 177.418 174.700 0.041 0.000 1.156 166 T CA 2.100 64.222 62.100 0.037 0.000 1.072 166 T CB -0.406 68.483 68.868 0.035 0.000 0.937 166 T HN 2.564 nan 8.240 nan 0.000 0.528 167 G N 1.499 110.327 108.800 0.047 0.000 2.159 167 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.227 167 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.227 167 G C -0.106 174.829 174.900 0.057 0.000 0.986 167 G CA 0.073 45.204 45.100 0.052 0.000 0.651 167 G HN 0.870 nan 8.290 nan 0.000 0.523 168 E N 1.367 121.601 120.200 0.057 0.000 2.360 168 E HA 0.381 4.731 4.350 -0.001 0.000 0.269 168 E C -2.535 174.107 176.600 0.071 0.000 1.022 168 E CA -1.861 54.577 56.400 0.062 0.000 0.887 168 E CB 1.436 31.171 29.700 0.058 0.000 0.990 168 E HN 0.311 nan 8.360 nan 0.000 0.426 169 P HA 0.085 nan 4.420 nan 0.000 0.279 169 P C -0.260 177.094 177.300 0.091 0.000 1.239 169 P CA -0.544 62.609 63.100 0.088 0.000 0.789 169 P CB 0.739 32.502 31.700 0.104 0.000 0.933 170 C N 3.604 122.956 119.300 0.087 0.000 3.247 170 C HA 0.310 4.770 4.460 -0.001 0.000 0.573 170 C C 0.834 175.879 174.990 0.091 0.000 1.106 170 C CA -0.071 59.000 59.018 0.088 0.000 1.209 170 C CB -2.225 25.574 27.740 0.098 0.000 1.460 170 C HN 0.634 nan 8.230 nan 0.000 0.634 171 C N 2.511 121.875 119.300 0.106 0.000 3.097 171 C HA 0.538 4.997 4.460 -0.001 0.000 0.422 171 C C -1.807 173.294 174.990 0.185 0.000 0.999 171 C CA -0.302 58.803 59.018 0.146 0.000 1.235 171 C CB 0.230 28.107 27.740 0.229 0.000 1.615 171 C HN 0.719 nan 8.230 nan 0.000 0.553 172 D N 2.906 123.333 120.400 0.045 0.000 2.609 172 D HA 0.282 4.921 4.640 -0.001 0.000 0.239 172 D C -1.225 174.846 176.300 -0.381 0.000 1.229 172 D CA -0.204 53.782 54.000 -0.023 0.000 0.808 172 D CB 1.862 42.659 40.800 -0.004 0.000 1.448 172 D HN 0.799 nan 8.370 nan 0.000 0.433 173 W N 3.424 124.160 121.300 -0.941 0.000 2.397 173 W HA 0.067 4.726 4.660 -0.001 0.000 0.327 173 W C 0.210 176.377 176.519 -0.587 0.000 1.421 173 W CA -0.227 56.467 57.345 -1.085 0.000 1.288 173 W CB 0.827 29.490 29.460 -1.329 0.000 1.312 173 W HN 0.163 nan 8.180 nan 0.000 0.559 174 V N 6.358 125.648 119.914 -1.039 0.000 2.331 174 V HA 0.178 4.298 4.120 -0.001 0.000 0.242 174 V C 1.233 176.859 176.094 -0.781 0.000 1.034 174 V CA 1.949 63.780 62.300 -0.782 0.000 1.027 174 V CB -0.653 30.736 31.823 -0.724 0.000 0.667 174 V HN 0.826 nan 8.190 nan 0.000 0.457 175 G N -0.879 107.230 108.800 -1.153 0.000 2.333 175 G HA2 0.207 4.167 3.960 -0.001 0.000 0.288 175 G HA3 0.207 4.167 3.960 -0.001 0.000 0.288 175 G C -2.047 172.515 174.900 -0.563 0.000 1.286 175 G CA -0.267 44.446 45.100 -0.645 0.000 0.865 175 G HN 0.079 nan 8.290 nan 0.000 0.506 176 D N 0.307 120.528 120.400 -0.300 0.000 2.372 176 D HA 0.468 5.107 4.640 -0.001 0.000 0.243 176 D C 1.132 177.289 176.300 -0.239 0.000 1.121 176 D CA 0.887 54.832 54.000 -0.092 0.000 0.898 176 D CB 0.766 41.624 40.800 0.097 0.000 1.202 176 D HN 0.682 nan 8.370 nan 0.000 0.428 177 E N 0.913 121.096 120.200 -0.028 0.000 3.289 177 E HA -0.288 4.062 4.350 -0.001 0.000 0.386 177 E C 1.184 177.733 176.600 -0.085 0.000 1.526 177 E CA 1.556 57.976 56.400 0.033 0.000 1.519 177 E CB -1.277 28.516 29.700 0.156 0.000 1.657 177 E HN 0.586 nan 8.360 nan 0.000 0.479 178 G N -0.155 108.656 108.800 0.018 0.000 2.956 178 G HA2 0.161 4.121 3.960 -0.001 0.000 0.207 178 G HA3 0.161 4.121 3.960 -0.001 0.000 0.207 178 G C 1.216 175.914 174.900 -0.335 0.000 1.162 178 G CA 0.991 46.123 45.100 0.053 0.000 0.796 178 G HN 0.572 nan 8.290 nan 0.000 0.527 179 A N 1.058 123.210 122.820 -1.112 0.000 1.917 179 A HA 0.029 4.349 4.320 -0.001 0.000 0.219 179 A C 2.664 179.832 177.584 -0.693 0.000 1.182 179 A CA 2.165 53.263 52.037 -1.564 0.000 0.633 179 A CB -0.950 16.991 19.000 -1.765 0.000 0.819 179 A HN 0.481 nan 8.150 nan 0.000 0.448 180 G N -1.348 107.073 108.800 -0.630 0.000 2.446 180 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.217 180 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.217 180 G C 1.399 176.134 174.900 -0.275 0.000 1.168 180 G CA 1.270 46.063 45.100 -0.512 0.000 0.771 180 G HN 0.775 nan 8.290 nan 0.000 0.551 181 H N -1.707 117.306 119.070 -0.095 0.000 2.495 181 H HA 0.107 4.662 4.556 -0.001 0.000 0.287 181 H C 1.998 177.394 175.328 0.113 0.000 1.033 181 H CA 0.544 56.614 56.048 0.038 0.000 1.307 181 H CB 0.014 29.836 29.762 0.101 0.000 1.401 181 H HN 0.382 nan 8.280 nan 0.000 0.555 182 F N 0.243 120.222 119.950 0.049 0.000 2.163 182 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 182 F C 2.077 177.895 175.800 0.030 0.000 1.094 182 F CA 0.775 58.783 58.000 0.013 0.000 1.290 182 F CB -0.276 38.712 39.000 -0.019 0.000 1.017 182 F HN -0.108 nan 8.300 nan 0.000 0.483 183 V N 0.585 120.611 119.914 0.187 0.000 2.343 183 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 183 V C 2.369 178.567 176.094 0.173 0.000 1.051 183 V CA 2.162 64.558 62.300 0.161 0.000 1.036 183 V CB -0.719 31.141 31.823 0.063 0.000 0.654 183 V HN 0.228 nan 8.190 nan 0.000 0.451 184 K N 0.454 120.917 120.400 0.105 0.000 2.103 184 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 184 K C 2.122 178.748 176.600 0.043 0.000 1.048 184 K CA 1.985 58.312 56.287 0.066 0.000 0.930 184 K CB -0.531 32.014 32.500 0.075 0.000 0.716 184 K HN 0.434 nan 8.250 nan 0.000 0.444 185 M N -0.284 119.323 119.600 0.011 0.000 2.080 185 M HA -0.174 4.306 4.480 -0.001 0.000 0.260 185 M C 1.697 177.901 176.300 -0.160 0.000 1.068 185 M CA 1.798 57.058 55.300 -0.067 0.000 1.109 185 M CB -0.079 32.449 32.600 -0.120 0.000 1.342 185 M HN 0.046 nan 8.290 nan 0.000 0.405 186 V N 0.327 120.126 119.914 -0.193 0.000 2.343 186 V HA -0.323 3.796 4.120 -0.001 0.000 0.247 186 V C 2.631 178.614 176.094 -0.186 0.000 1.051 186 V CA 2.282 64.474 62.300 -0.180 0.000 1.036 186 V CB -1.406 30.361 31.823 -0.092 0.000 0.654 186 V HN 0.643 nan 8.190 nan 0.000 0.451 187 H N 1.094 120.006 119.070 -0.263 0.000 2.319 187 H HA -0.213 4.342 4.556 -0.001 0.000 0.297 187 H C 2.117 177.192 175.328 -0.422 0.000 1.097 187 H CA 2.456 58.161 56.048 -0.571 0.000 1.285 187 H CB -0.193 29.234 29.762 -0.557 0.000 1.368 187 H HN 0.403 nan 8.280 nan 0.000 0.495 188 N N 0.143 118.810 118.700 -0.056 0.000 2.270 188 N HA -0.063 4.677 4.740 -0.001 0.000 0.181 188 N C 2.189 177.548 175.510 -0.251 0.000 1.016 188 N CA 1.020 54.017 53.050 -0.090 0.000 0.870 188 N CB -0.803 37.645 38.487 -0.064 0.000 0.979 188 N HN 0.519 nan 8.380 nan 0.000 0.431 189 G N 1.077 109.681 108.800 -0.327 0.000 2.421 189 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.216 189 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.216 189 G C 1.565 176.307 174.900 -0.264 0.000 1.171 189 G CA 0.491 45.385 45.100 -0.343 0.000 0.775 189 G HN 0.266 nan 8.290 nan 0.000 0.543 190 I N 0.741 121.104 120.570 -0.345 0.000 2.208 190 I HA -0.191 3.979 4.170 -0.001 0.000 0.245 190 I C 2.706 178.617 176.117 -0.343 0.000 1.097 190 I CA 1.669 62.717 61.300 -0.421 0.000 1.363 190 I CB -0.233 37.340 38.000 -0.711 0.000 1.051 190 I HN 0.372 nan 8.210 nan 0.000 0.413 191 E N 0.781 120.766 120.200 -0.359 0.000 2.038 191 E HA -0.278 4.072 4.350 -0.001 0.000 0.195 191 E C 2.356 178.936 176.600 -0.034 0.000 1.000 191 E CA 1.646 57.915 56.400 -0.218 0.000 0.803 191 E CB -0.264 29.294 29.700 -0.237 0.000 0.750 191 E HN 0.405 nan 8.360 nan 0.000 0.448 192 Y N 0.670 120.850 120.300 -0.200 0.000 2.151 192 Y HA -0.165 4.385 4.550 -0.001 0.000 0.284 192 Y C 2.512 178.331 175.900 -0.134 0.000 1.166 192 Y CA 1.570 59.577 58.100 -0.155 0.000 1.163 192 Y CB -1.087 37.276 38.460 -0.160 0.000 0.974 192 Y HN 0.245 nan 8.280 nan 0.000 0.511 193 G N -0.507 108.311 108.800 0.029 0.000 2.433 193 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.216 193 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.216 193 G C 1.364 176.243 174.900 -0.035 0.000 1.186 193 G CA 1.269 46.356 45.100 -0.022 0.000 0.779 193 G HN 0.287 nan 8.290 nan 0.000 0.543 194 D N 0.395 120.774 120.400 -0.034 0.000 2.117 194 D HA -0.074 4.566 4.640 -0.001 0.000 0.197 194 D C 2.653 178.940 176.300 -0.022 0.000 0.987 194 D CA 0.841 54.842 54.000 0.002 0.000 0.829 194 D CB -0.286 40.532 40.800 0.031 0.000 0.961 194 D HN 0.310 nan 8.370 nan 0.000 0.460 195 M N -0.133 119.433 119.600 -0.056 0.000 2.117 195 M HA -0.206 4.273 4.480 -0.001 0.000 0.262 195 M C 2.228 178.480 176.300 -0.081 0.000 1.065 195 M CA 1.282 56.530 55.300 -0.087 0.000 1.114 195 M CB -0.153 32.364 32.600 -0.140 0.000 1.361 195 M HN -0.084 nan 8.290 nan 0.000 0.408 196 Q N 1.030 120.783 119.800 -0.079 0.000 2.079 196 Q HA -0.073 4.266 4.340 -0.001 0.000 0.200 196 Q C 1.763 177.701 176.000 -0.102 0.000 0.974 196 Q CA 1.650 57.410 55.803 -0.072 0.000 0.840 196 Q CB -0.460 28.246 28.738 -0.052 0.000 0.898 196 Q HN 0.531 nan 8.270 nan 0.000 0.430 197 L N -0.256 120.872 121.223 -0.159 0.000 2.042 197 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 197 L C 2.394 179.184 176.870 -0.133 0.000 1.076 197 L CA 1.311 55.950 54.840 -0.335 0.000 0.749 197 L CB -0.500 41.404 42.059 -0.258 0.000 0.893 197 L HN 0.308 nan 8.230 nan 0.000 0.432 198 I N -0.918 119.669 120.570 0.028 0.000 2.226 198 I HA -0.344 3.825 4.170 -0.001 0.000 0.245 198 I C 2.655 178.910 176.117 0.230 0.000 1.100 198 I CA 1.179 62.591 61.300 0.186 0.000 1.374 198 I CB -0.340 37.698 38.000 0.065 0.000 1.057 198 I HN 0.404 nan 8.210 nan 0.000 0.413 199 C N 0.562 119.926 119.300 0.107 0.000 2.413 199 C HA -0.168 4.291 4.460 -0.001 0.000 0.277 199 C C 2.628 177.790 174.990 0.286 0.000 1.265 199 C CA 0.904 60.026 59.018 0.173 0.000 1.752 199 C CB -1.155 26.622 27.740 0.061 0.000 1.998 199 C HN 0.503 nan 8.230 nan 0.000 0.489 200 E N 0.888 121.210 120.200 0.203 0.000 2.072 200 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 200 E C 2.406 179.300 176.600 0.490 0.000 0.985 200 E CA 1.203 57.783 56.400 0.302 0.000 0.801 200 E CB -0.266 29.506 29.700 0.121 0.000 0.750 200 E HN 0.648 nan 8.360 nan 0.000 0.452 201 A N 0.895 124.047 122.820 0.552 0.000 1.883 201 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 201 A C 2.091 179.973 177.584 0.497 0.000 1.186 201 A CA 1.662 54.044 52.037 0.576 0.000 0.624 201 A CB -0.888 18.491 19.000 0.632 0.000 0.822 201 A HN 0.457 nan 8.150 nan 0.000 0.444 202 Y N -0.206 120.347 120.300 0.422 0.000 2.165 202 Y HA -0.285 4.265 4.550 -0.001 0.000 0.286 202 Y C 2.252 178.317 175.900 0.276 0.000 1.155 202 Y CA 2.225 60.530 58.100 0.342 0.000 1.164 202 Y CB -0.925 37.691 38.460 0.260 0.000 0.978 202 Y HN 0.600 nan 8.280 nan 0.000 0.513 203 H N -0.544 118.530 119.070 0.006 0.000 2.353 203 H HA -0.164 4.391 4.556 -0.001 0.000 0.300 203 H C 2.163 177.450 175.328 -0.068 0.000 1.090 203 H CA 1.543 57.514 56.048 -0.128 0.000 1.327 203 H CB -0.101 29.680 29.762 0.031 0.000 1.383 203 H HN 0.378 nan 8.280 nan 0.000 0.508 204 L N -0.095 121.232 121.223 0.173 0.000 2.046 204 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 204 L C 2.701 179.626 176.870 0.092 0.000 1.077 204 L CA 1.189 56.104 54.840 0.125 0.000 0.747 204 L CB -0.298 41.886 42.059 0.209 0.000 0.896 204 L HN 0.398 nan 8.230 nan 0.000 0.432 205 M N -0.516 119.139 119.600 0.092 0.000 2.117 205 M HA -0.242 4.237 4.480 -0.001 0.000 0.262 205 M C 2.388 178.667 176.300 -0.034 0.000 1.065 205 M CA 1.770 57.096 55.300 0.043 0.000 1.114 205 M CB -0.319 32.312 32.600 0.052 0.000 1.361 205 M HN 0.132 nan 8.290 nan 0.000 0.408 206 K N 0.125 120.454 120.400 -0.117 0.000 2.044 206 K HA -0.138 4.181 4.320 -0.001 0.000 0.204 206 K C 0.972 177.524 176.600 -0.080 0.000 1.049 206 K CA 1.582 57.777 56.287 -0.154 0.000 0.945 206 K CB 0.226 32.507 32.500 -0.366 0.000 0.724 206 K HN 0.143 nan 8.250 nan 0.000 0.440 207 D N -0.687 119.677 120.400 -0.061 0.000 2.388 207 D HA 0.010 4.649 4.640 -0.001 0.000 0.208 207 D C 1.604 177.849 176.300 -0.091 0.000 1.035 207 D CA 0.378 54.340 54.000 -0.063 0.000 0.875 207 D CB 0.708 41.461 40.800 -0.080 0.000 0.984 207 D HN 0.003 nan 8.370 nan 0.000 0.508 208 V N 0.361 120.208 119.914 -0.111 0.000 2.492 208 V HA 0.045 4.164 4.120 -0.001 0.000 0.241 208 V C 2.079 177.986 176.094 -0.313 0.000 1.041 208 V CA 0.744 62.938 62.300 -0.178 0.000 1.057 208 V CB 0.034 31.744 31.823 -0.188 0.000 0.711 208 V HN 0.134 nan 8.190 nan 0.000 0.468 209 L N 0.605 121.689 121.223 -0.232 0.000 2.567 209 L HA 0.325 4.664 4.340 -0.001 0.000 0.225 209 L C 1.672 178.474 176.870 -0.114 0.000 1.119 209 L CA 0.780 55.475 54.840 -0.242 0.000 0.871 209 L CB -0.552 41.453 42.059 -0.090 0.000 1.036 209 L HN 0.570 nan 8.230 nan 0.000 0.459 210 G N 1.239 109.991 108.800 -0.081 0.000 2.283 210 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.280 210 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.280 210 G C 0.271 175.156 174.900 -0.025 0.000 1.029 210 G CA 0.199 45.274 45.100 -0.041 0.000 0.840 210 G HN 0.283 nan 8.290 nan 0.000 0.505 211 M N 0.160 119.744 119.600 -0.028 0.000 2.241 211 M HA 0.522 5.002 4.480 -0.001 0.000 0.335 211 M C 0.988 177.284 176.300 -0.007 0.000 1.122 211 M CA 0.236 55.528 55.300 -0.014 0.000 1.164 211 M CB 0.999 33.589 32.600 -0.016 0.000 1.459 211 M HN 0.419 nan 8.290 nan 0.000 0.461 212 A N 1.698 124.518 122.820 -0.000 0.000 2.287 212 A HA 0.202 4.522 4.320 -0.001 0.000 0.273 212 A C 0.931 178.508 177.584 -0.012 0.000 1.091 212 A CA -0.565 51.474 52.037 0.002 0.000 0.817 212 A CB 0.560 19.571 19.000 0.018 0.000 1.069 212 A HN 0.901 nan 8.150 nan 0.000 0.492 213 Q N 0.358 120.118 119.800 -0.065 0.000 2.061 213 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 213 Q C 0.965 176.904 176.000 -0.101 0.000 0.984 213 Q CA 2.085 57.789 55.803 -0.165 0.000 0.846 213 Q CB -0.273 28.096 28.738 -0.614 0.000 0.902 213 Q HN 0.803 nan 8.270 nan 0.000 0.421 214 D N 0.310 120.688 120.400 -0.036 0.000 2.224 214 D HA -0.113 4.526 4.640 -0.001 0.000 0.205 214 D C 1.750 178.056 176.300 0.010 0.000 0.965 214 D CA 0.534 54.556 54.000 0.037 0.000 0.852 214 D CB -0.001 40.861 40.800 0.103 0.000 0.947 214 D HN 0.391 nan 8.370 nan 0.000 0.494 215 E N 0.203 120.402 120.200 -0.002 0.000 2.072 215 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 215 E C 2.101 178.667 176.600 -0.056 0.000 0.985 215 E CA 0.598 56.984 56.400 -0.024 0.000 0.801 215 E CB 0.100 29.789 29.700 -0.017 0.000 0.750 215 E HN 0.200 nan 8.360 nan 0.000 0.452 216 M N 0.100 119.685 119.600 -0.024 0.000 2.132 216 M HA -0.119 4.360 4.480 -0.001 0.000 0.263 216 M C 2.500 178.821 176.300 0.035 0.000 1.065 216 M CA 1.249 56.542 55.300 -0.012 0.000 1.122 216 M CB -0.238 32.446 32.600 0.140 0.000 1.365 216 M HN 0.153 nan 8.290 nan 0.000 0.411 217 A N 0.156 123.008 122.820 0.052 0.000 1.903 217 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 217 A C 2.001 179.585 177.584 0.000 0.000 1.191 217 A CA 2.288 54.355 52.037 0.050 0.000 0.638 217 A CB -0.895 18.120 19.000 0.025 0.000 0.823 217 A HN 0.474 nan 8.150 nan 0.000 0.451 218 Q N -0.456 119.314 119.800 -0.049 0.000 2.096 218 Q HA -0.059 4.281 4.340 -0.001 0.000 0.204 218 Q C 2.114 177.995 176.000 -0.198 0.000 0.982 218 Q CA 2.212 57.964 55.803 -0.086 0.000 0.850 218 Q CB -0.640 28.055 28.738 -0.071 0.000 0.901 218 Q HN 0.599 nan 8.270 nan 0.000 0.422 219 A N -0.594 122.016 122.820 -0.350 0.000 1.883 219 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 219 A C 1.915 178.852 177.584 -1.078 0.000 1.186 219 A CA 1.613 53.183 52.037 -0.779 0.000 0.624 219 A CB -1.021 17.372 19.000 -1.012 0.000 0.822 219 A HN 0.470 nan 8.150 nan 0.000 0.444 220 F N -0.153 119.391 119.950 -0.675 0.000 2.134 220 F HA -0.113 4.414 4.527 -0.001 0.000 0.299 220 F C 2.350 178.056 175.800 -0.157 0.000 1.097 220 F CA 1.665 59.439 58.000 -0.377 0.000 1.264 220 F CB -0.432 38.452 39.000 -0.193 0.000 1.001 220 F HN 0.419 nan 8.300 nan 0.000 0.479 221 E N 0.238 120.453 120.200 0.025 0.000 2.085 221 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 221 E C 1.663 178.277 176.600 0.023 0.000 0.994 221 E CA 1.767 58.181 56.400 0.023 0.000 0.801 221 E CB -0.059 29.639 29.700 -0.003 0.000 0.743 221 E HN 0.296 nan 8.360 nan 0.000 0.453 222 D N -0.329 120.048 120.400 -0.038 0.000 2.103 222 D HA -0.149 4.490 4.640 -0.001 0.000 0.199 222 D C 1.579 177.975 176.300 0.159 0.000 0.978 222 D CA 0.703 54.715 54.000 0.020 0.000 0.829 222 D CB -0.467 40.316 40.800 -0.028 0.000 0.981 222 D HN 0.385 nan 8.370 nan 0.000 0.464 223 W N 1.464 122.754 121.300 -0.016 0.000 2.350 223 W HA -0.094 4.565 4.660 -0.001 0.000 0.289 223 W C 1.972 178.493 176.519 0.003 0.000 1.215 223 W CA 0.480 57.809 57.345 -0.025 0.000 1.236 223 W CB -1.465 27.972 29.460 -0.038 0.000 1.130 223 W HN 0.065 nan 8.180 nan 0.000 0.541 224 N N 0.424 119.273 118.700 0.248 0.000 2.550 224 N HA -0.113 4.626 4.740 -0.001 0.000 0.186 224 N C 1.260 176.828 175.510 0.096 0.000 1.110 224 N CA 0.970 54.113 53.050 0.155 0.000 0.912 224 N CB -0.130 38.429 38.487 0.120 0.000 0.968 224 N HN 0.089 nan 8.380 nan 0.000 0.448 225 K N -1.327 119.128 120.400 0.091 0.000 2.361 225 K HA 0.092 4.411 4.320 -0.001 0.000 0.194 225 K C 0.954 177.576 176.600 0.038 0.000 1.032 225 K CA 0.695 57.016 56.287 0.057 0.000 1.048 225 K CB 0.496 33.027 32.500 0.051 0.000 0.842 225 K HN 0.273 nan 8.250 nan 0.000 0.526 226 T N -1.526 113.045 114.554 0.029 0.000 2.747 226 T HA 0.164 4.513 4.350 -0.001 0.000 0.236 226 T C 1.155 175.810 174.700 -0.075 0.000 1.046 226 T CA -0.537 61.546 62.100 -0.027 0.000 1.054 226 T CB -0.037 68.797 68.868 -0.056 0.000 2.287 226 T HN -0.189 nan 8.240 nan 0.000 0.523 227 E N 0.710 120.781 120.200 -0.215 0.000 2.204 227 E HA 0.087 4.437 4.350 -0.001 0.000 0.195 227 E C 1.770 178.233 176.600 -0.227 0.000 0.990 227 E CA 0.628 56.824 56.400 -0.341 0.000 0.821 227 E CB -0.539 28.569 29.700 -0.985 0.000 0.750 227 E HN 0.416 nan 8.360 nan 0.000 0.477 228 L N 1.180 122.296 121.223 -0.179 0.000 2.627 228 L HA 0.011 4.351 4.340 -0.001 0.000 0.233 228 L C 0.446 177.355 176.870 0.064 0.000 1.144 228 L CA -0.301 54.541 54.840 0.005 0.000 0.892 228 L CB -0.316 41.769 42.059 0.044 0.000 1.039 228 L HN 0.074 nan 8.230 nan 0.000 0.442 229 D N 1.641 122.063 120.400 0.036 0.000 2.455 229 D HA 0.036 4.675 4.640 -0.001 0.000 0.265 229 D C -0.025 176.294 176.300 0.032 0.000 1.284 229 D CA 0.527 54.555 54.000 0.047 0.000 0.944 229 D CB 0.390 41.213 40.800 0.039 0.000 1.121 229 D HN 0.268 nan 8.370 nan 0.000 0.525 230 S N 2.575 118.312 115.700 0.061 0.000 2.578 230 S HA 0.192 4.661 4.470 -0.001 0.000 0.272 230 S C 0.352 175.021 174.600 0.115 0.000 1.145 230 S CA -0.965 57.281 58.200 0.077 0.000 0.835 230 S CB 0.168 63.402 63.200 0.056 0.000 1.104 230 S HN 0.240 nan 8.310 nan 0.000 0.458 231 F N 1.494 121.452 119.950 0.012 0.000 2.091 231 F HA 0.006 4.533 4.527 -0.001 0.000 0.299 231 F C 1.746 177.540 175.800 -0.010 0.000 1.103 231 F CA 1.869 59.872 58.000 0.006 0.000 1.228 231 F CB -0.380 38.624 39.000 0.007 0.000 0.984 231 F HN 0.622 nan 8.300 nan 0.000 0.477 232 L N -0.335 120.880 121.223 -0.013 0.000 2.093 232 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 232 L C 2.458 179.216 176.870 -0.187 0.000 1.085 232 L CA 0.592 55.346 54.840 -0.144 0.000 0.755 232 L CB -0.618 41.438 42.059 -0.005 0.000 0.904 232 L HN 0.190 nan 8.230 nan 0.000 0.435 233 I N 0.026 120.564 120.570 -0.052 0.000 2.179 233 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 233 I C 2.529 178.602 176.117 -0.074 0.000 1.088 233 I CA 1.495 62.807 61.300 0.021 0.000 1.357 233 I CB -1.043 37.078 38.000 0.202 0.000 1.051 233 I HN 0.435 nan 8.210 nan 0.000 0.409 234 E N 1.577 121.717 120.200 -0.101 0.000 2.049 234 E HA -0.254 4.095 4.350 -0.001 0.000 0.198 234 E C 2.302 178.760 176.600 -0.238 0.000 1.007 234 E CA 2.195 58.515 56.400 -0.133 0.000 0.809 234 E CB -0.206 29.421 29.700 -0.122 0.000 0.749 234 E HN 0.624 nan 8.360 nan 0.000 0.450 235 I N -1.427 118.893 120.570 -0.417 0.000 2.546 235 I HA -0.096 4.073 4.170 -0.001 0.000 0.255 235 I C 2.125 178.043 176.117 -0.331 0.000 1.163 235 I CA 1.235 62.291 61.300 -0.408 0.000 1.457 235 I CB -0.375 37.269 38.000 -0.593 0.000 1.092 235 I HN -0.066 nan 8.210 nan 0.000 0.434 236 T N 1.546 115.869 114.554 -0.385 0.000 2.777 236 T HA -0.042 4.308 4.350 -0.001 0.000 0.266 236 T C 2.179 176.631 174.700 -0.413 0.000 1.040 236 T CA 1.645 63.449 62.100 -0.494 0.000 1.141 236 T CB -0.304 68.090 68.868 -0.791 0.000 0.868 236 T HN 0.594 nan 8.240 nan 0.000 0.444 237 A N 2.499 125.153 122.820 -0.277 0.000 1.908 237 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 237 A C 2.236 179.773 177.584 -0.078 0.000 1.181 237 A CA 1.691 53.667 52.037 -0.101 0.000 0.627 237 A CB -0.665 18.330 19.000 -0.008 0.000 0.818 237 A HN 0.404 nan 8.150 nan 0.000 0.445 238 N N 0.190 118.834 118.700 -0.093 0.000 2.084 238 N HA -0.112 4.627 4.740 -0.001 0.000 0.190 238 N C 1.629 177.138 175.510 -0.002 0.000 1.030 238 N CA 1.631 54.661 53.050 -0.033 0.000 0.849 238 N CB -0.535 37.921 38.487 -0.052 0.000 1.012 238 N HN 0.574 nan 8.380 nan 0.000 0.423 239 I N 0.965 121.476 120.570 -0.100 0.000 2.226 239 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 239 I C 2.034 178.129 176.117 -0.037 0.000 1.100 239 I CA 0.830 62.068 61.300 -0.103 0.000 1.374 239 I CB -0.232 37.636 38.000 -0.219 0.000 1.057 239 I HN 0.062 nan 8.210 nan 0.000 0.413 240 L N 0.362 121.525 121.223 -0.100 0.000 2.079 240 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 240 L C 2.366 179.256 176.870 0.034 0.000 1.081 240 L CA 1.563 56.355 54.840 -0.080 0.000 0.752 240 L CB -0.491 41.516 42.059 -0.086 0.000 0.896 240 L HN 0.208 nan 8.230 nan 0.000 0.433 241 K N -0.719 119.742 120.400 0.102 0.000 2.296 241 K HA -0.056 4.264 4.320 -0.001 0.000 0.200 241 K C 0.599 177.345 176.600 0.243 0.000 1.048 241 K CA 0.081 56.476 56.287 0.180 0.000 0.966 241 K CB -0.047 32.512 32.500 0.097 0.000 0.754 241 K HN -0.026 nan 8.250 nan 0.000 0.466 242 F N 3.063 123.063 119.950 0.083 0.000 2.578 242 F HA -0.069 4.458 4.527 -0.001 0.000 0.376 242 F C 0.050 175.882 175.800 0.054 0.000 1.085 242 F CA 0.365 58.390 58.000 0.041 0.000 1.260 242 F CB 0.397 39.397 39.000 -0.001 0.000 1.095 242 F HN -0.017 nan 8.300 nan 0.000 0.573 243 Q N 4.440 123.907 119.800 -0.556 0.000 2.312 243 Q HA 0.198 4.537 4.340 -0.001 0.000 0.263 243 Q C -0.923 174.842 176.000 -0.391 0.000 0.995 243 Q CA -1.110 54.472 55.803 -0.368 0.000 0.853 243 Q CB 1.841 30.358 28.738 -0.369 0.000 1.300 243 Q HN 0.602 nan 8.270 nan 0.000 0.448 244 D N 0.330 120.671 120.400 -0.099 0.000 2.371 244 D HA -0.012 4.628 4.640 -0.001 0.000 0.242 244 D C 1.059 177.318 176.300 -0.070 0.000 1.218 244 D CA 0.145 54.144 54.000 -0.002 0.000 0.945 244 D CB 1.211 42.044 40.800 0.055 0.000 1.137 244 D HN 0.663 nan 8.370 nan 0.000 0.464 245 T N -1.651 112.888 114.554 -0.025 0.000 2.946 245 T HA -0.214 4.136 4.350 -0.001 0.000 0.271 245 T C 0.923 175.597 174.700 -0.044 0.000 1.104 245 T CA 1.312 63.389 62.100 -0.038 0.000 1.114 245 T CB -0.169 68.693 68.868 -0.009 0.000 0.867 245 T HN 0.498 nan 8.240 nan 0.000 0.513 246 D N 0.404 120.781 120.400 -0.037 0.000 2.340 246 D HA 0.236 4.875 4.640 -0.001 0.000 0.217 246 D C 1.657 177.923 176.300 -0.056 0.000 1.081 246 D CA 0.453 54.432 54.000 -0.036 0.000 0.842 246 D CB -0.545 40.244 40.800 -0.018 0.000 0.934 246 D HN 0.552 nan 8.370 nan 0.000 0.511 247 G N 0.540 109.287 108.800 -0.088 0.000 2.267 247 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.257 247 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.257 247 G C 0.312 175.121 174.900 -0.152 0.000 0.998 247 G CA 0.306 45.333 45.100 -0.122 0.000 0.620 247 G HN 0.471 nan 8.290 nan 0.000 0.529 248 K N 0.668 121.009 120.400 -0.099 0.000 2.202 248 K HA 0.427 4.746 4.320 -0.001 0.000 0.264 248 K C 0.222 176.776 176.600 -0.077 0.000 1.010 248 K CA -0.614 55.627 56.287 -0.078 0.000 0.940 248 K CB 0.421 32.920 32.500 -0.002 0.000 0.983 248 K HN 0.490 nan 8.250 nan 0.000 0.475 249 H N 1.105 120.183 119.070 0.013 0.000 2.897 249 H HA -0.080 4.476 4.556 -0.001 0.000 0.347 249 H C 0.973 176.340 175.328 0.065 0.000 1.068 249 H CA -0.191 55.879 56.048 0.037 0.000 1.426 249 H CB 0.651 30.438 29.762 0.042 0.000 1.410 249 H HN 0.419 nan 8.280 nan 0.000 0.597 250 L N 3.457 124.832 121.223 0.253 0.000 2.095 250 L HA -0.050 4.289 4.340 -0.001 0.000 0.204 250 L C 1.888 178.826 176.870 0.113 0.000 1.080 250 L CA 1.095 56.051 54.840 0.194 0.000 0.759 250 L CB -0.504 41.730 42.059 0.292 0.000 0.914 250 L HN 0.645 nan 8.230 nan 0.000 0.439 251 L N 0.674 121.955 121.223 0.096 0.000 2.043 251 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 251 L C -0.613 176.271 176.870 0.022 0.000 1.075 251 L CA 2.033 56.879 54.840 0.010 0.000 0.752 251 L CB -1.813 40.212 42.059 -0.057 0.000 0.891 251 L HN 0.198 nan 8.230 nan 0.000 0.432 252 P HA -0.124 nan 4.420 nan 0.000 0.225 252 P C 0.977 178.304 177.300 0.044 0.000 1.148 252 P CA 1.363 64.497 63.100 0.057 0.000 0.779 252 P CB -0.058 31.686 31.700 0.075 0.000 0.780 253 K N -1.018 119.409 120.400 0.045 0.000 2.418 253 K HA 0.106 4.426 4.320 -0.001 0.000 0.195 253 K C 0.724 177.333 176.600 0.015 0.000 1.035 253 K CA 0.173 56.479 56.287 0.032 0.000 1.003 253 K CB 0.014 32.537 32.500 0.038 0.000 0.793 253 K HN 0.227 nan 8.250 nan 0.000 0.494 254 I N 2.225 122.798 120.570 0.005 0.000 2.441 254 I HA 0.051 4.220 4.170 -0.001 0.000 0.287 254 I C 0.606 176.714 176.117 -0.016 0.000 1.049 254 I CA -0.546 60.745 61.300 -0.015 0.000 1.381 254 I CB 0.683 38.661 38.000 -0.037 0.000 1.409 254 I HN 0.045 nan 8.210 nan 0.000 0.523 255 R N 4.154 124.643 120.500 -0.019 0.000 2.570 255 R HA -0.063 4.276 4.340 -0.001 0.000 0.277 255 R C 0.176 176.460 176.300 -0.027 0.000 1.039 255 R CA -0.078 56.011 56.100 -0.018 0.000 1.065 255 R CB 0.352 30.641 30.300 -0.017 0.000 0.964 255 R HN 0.615 nan 8.270 nan 0.000 0.428 256 D N 1.986 122.373 120.400 -0.021 0.000 3.060 256 D HA 0.029 4.669 4.640 -0.001 0.000 0.245 256 D C -1.119 175.165 176.300 -0.026 0.000 1.274 256 D CA -0.016 53.969 54.000 -0.025 0.000 0.864 256 D CB 0.193 40.984 40.800 -0.015 0.000 1.073 256 D HN 0.267 nan 8.370 nan 0.000 0.473 257 S N 0.269 115.949 115.700 -0.033 0.000 2.745 257 S HA 0.651 5.120 4.470 -0.001 0.000 0.283 257 S C -0.514 174.058 174.600 -0.046 0.000 1.170 257 S CA -0.647 57.535 58.200 -0.030 0.000 1.119 257 S CB 0.394 63.581 63.200 -0.022 0.000 1.035 257 S HN 0.374 nan 8.310 nan 0.000 0.483 258 A N 3.722 126.509 122.820 -0.055 0.000 2.409 258 A HA 0.699 5.018 4.320 -0.001 0.000 0.262 258 A C 0.847 178.384 177.584 -0.079 0.000 1.113 258 A CA -0.028 51.958 52.037 -0.084 0.000 0.790 258 A CB 0.104 19.038 19.000 -0.110 0.000 1.046 258 A HN 0.934 nan 8.150 nan 0.000 0.496 259 G N 0.894 109.638 108.800 -0.093 0.000 2.528 259 G HA2 0.572 4.531 3.960 -0.001 0.000 0.289 259 G HA3 0.572 4.531 3.960 -0.001 0.000 0.289 259 G C -0.437 174.400 174.900 -0.105 0.000 1.192 259 G CA -0.319 44.732 45.100 -0.081 0.000 0.921 259 G HN 1.110 nan 8.290 nan 0.000 0.512 260 Q N -1.362 118.394 119.800 -0.073 0.000 2.472 260 Q HA 0.467 4.807 4.340 -0.001 0.000 0.281 260 Q C -1.206 174.757 176.000 -0.062 0.000 0.997 260 Q CA -0.970 54.800 55.803 -0.054 0.000 0.828 260 Q CB 1.876 30.623 28.738 0.015 0.000 1.443 260 Q HN 0.416 nan 8.270 nan 0.000 0.390 261 K N 0.125 120.473 120.400 -0.086 0.000 2.438 261 K HA 0.362 4.681 4.320 -0.001 0.000 0.205 261 K C 0.543 176.951 176.600 -0.321 0.000 1.033 261 K CA 0.481 56.684 56.287 -0.139 0.000 1.089 261 K CB 1.187 33.627 32.500 -0.100 0.000 0.857 261 K HN 0.944 nan 8.250 nan 0.000 0.522 262 G N 0.830 109.348 108.800 -0.470 0.000 2.436 262 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.204 262 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.204 262 G C 1.240 175.149 174.900 -1.652 0.000 1.026 262 G CA 0.375 44.862 45.100 -1.022 0.000 0.658 262 G HN 0.277 nan 8.290 nan 0.000 0.499 263 T N -0.085 113.715 114.554 -1.256 0.000 2.720 263 T HA 0.119 4.469 4.350 -0.001 0.000 0.268 263 T C 2.512 176.803 174.700 -0.681 0.000 1.037 263 T CA 2.278 63.861 62.100 -0.861 0.000 1.144 263 T CB -0.958 67.668 68.868 -0.405 0.000 0.864 263 T HN 1.368 nan 8.240 nan 0.000 0.444 264 G N 1.782 110.013 108.800 -0.947 0.000 2.433 264 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.216 264 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.216 264 G C 1.528 176.056 174.900 -0.620 0.000 1.186 264 G CA 0.992 45.346 45.100 -1.243 0.000 0.779 264 G HN 0.578 nan 8.290 nan 0.000 0.543 265 K N -0.462 119.645 120.400 -0.488 0.000 2.044 265 K HA -0.174 4.145 4.320 -0.001 0.000 0.210 265 K C 2.267 178.811 176.600 -0.093 0.000 1.049 265 K CA 1.738 57.859 56.287 -0.277 0.000 0.927 265 K CB -0.328 32.033 32.500 -0.231 0.000 0.713 265 K HN 0.449 nan 8.250 nan 0.000 0.443 266 W N 1.102 122.317 121.300 -0.141 0.000 2.363 266 W HA -0.065 4.594 4.660 -0.001 0.000 0.296 266 W C 2.262 178.728 176.519 -0.088 0.000 1.212 266 W CA 1.135 58.435 57.345 -0.074 0.000 1.260 266 W CB -1.438 28.001 29.460 -0.035 0.000 1.131 266 W HN 0.153 nan 8.180 nan 0.000 0.530 267 T N 0.786 115.343 114.554 0.005 0.000 2.708 267 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 267 T C 2.122 176.789 174.700 -0.055 0.000 1.037 267 T CA 2.238 64.282 62.100 -0.092 0.000 1.146 267 T CB -0.669 68.065 68.868 -0.223 0.000 0.865 267 T HN 0.126 nan 8.240 nan 0.000 0.435 268 A N 1.144 123.904 122.820 -0.099 0.000 1.902 268 A HA 0.006 4.326 4.320 -0.001 0.000 0.217 268 A C 2.313 179.892 177.584 -0.008 0.000 1.181 268 A CA 1.117 53.102 52.037 -0.087 0.000 0.623 268 A CB -0.761 18.129 19.000 -0.183 0.000 0.818 268 A HN 0.518 nan 8.150 nan 0.000 0.443 269 I N -0.026 120.563 120.570 0.032 0.000 2.226 269 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 269 I C 2.599 178.783 176.117 0.112 0.000 1.100 269 I CA 1.471 62.816 61.300 0.075 0.000 1.374 269 I CB -0.365 37.703 38.000 0.113 0.000 1.057 269 I HN 0.254 nan 8.210 nan 0.000 0.413 270 S N 1.059 116.869 115.700 0.184 0.000 2.368 270 S HA -0.159 4.310 4.470 -0.001 0.000 0.225 270 S C 2.309 177.081 174.600 0.287 0.000 1.030 270 S CA 1.259 59.650 58.200 0.317 0.000 0.999 270 S CB -0.424 63.028 63.200 0.419 0.000 0.844 270 S HN 0.540 nan 8.310 nan 0.000 0.459 271 A N 1.751 124.676 122.820 0.175 0.000 1.883 271 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 271 A C 2.176 179.828 177.584 0.114 0.000 1.186 271 A CA 1.429 53.550 52.037 0.139 0.000 0.624 271 A CB -0.890 18.147 19.000 0.062 0.000 0.822 271 A HN 0.444 nan 8.150 nan 0.000 0.444 272 L N -1.026 120.241 121.223 0.074 0.000 2.046 272 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 272 L C 2.633 179.506 176.870 0.005 0.000 1.077 272 L CA 1.711 56.580 54.840 0.048 0.000 0.747 272 L CB -0.564 41.521 42.059 0.044 0.000 0.896 272 L HN 0.470 nan 8.230 nan 0.000 0.432 273 E N -0.784 119.387 120.200 -0.048 0.000 2.118 273 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 273 E C 1.167 177.538 176.600 -0.382 0.000 0.992 273 E CA 1.401 57.648 56.400 -0.254 0.000 0.804 273 E CB 0.064 29.530 29.700 -0.389 0.000 0.741 273 E HN 0.499 nan 8.360 nan 0.000 0.458 274 Y N -1.030 119.312 120.300 0.069 0.000 2.555 274 Y HA 0.298 4.848 4.550 -0.001 0.000 0.259 274 Y C 1.079 176.997 175.900 0.029 0.000 1.179 274 Y CA 0.176 58.295 58.100 0.031 0.000 1.230 274 Y CB 1.175 39.636 38.460 0.001 0.000 1.146 274 Y HN 0.022 nan 8.280 nan 0.000 0.526 275 G N 0.924 109.801 108.800 0.128 0.000 2.246 275 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.273 275 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.273 275 G C -0.452 174.520 174.900 0.120 0.000 1.055 275 G CA 0.262 45.426 45.100 0.107 0.000 0.851 275 G HN 0.140 nan 8.290 nan 0.000 0.500 276 V N 1.283 121.274 119.914 0.128 0.000 2.394 276 V HA 0.458 4.577 4.120 -0.001 0.000 0.282 276 V C -1.306 174.848 176.094 0.100 0.000 1.031 276 V CA -1.520 60.850 62.300 0.116 0.000 0.881 276 V CB 1.817 33.706 31.823 0.109 0.000 0.982 276 V HN 0.220 nan 8.190 nan 0.000 0.451 277 P HA 0.116 nan 4.420 nan 0.000 0.230 277 P C -0.127 177.172 177.300 -0.001 0.000 1.791 277 P CA 0.025 63.202 63.100 0.129 0.000 1.020 277 P CB 0.117 31.986 31.700 0.281 0.000 1.977 278 V N 2.367 122.264 119.914 -0.028 0.000 2.056 278 V HA 0.004 4.123 4.120 -0.001 0.000 0.267 278 V C 2.142 178.184 176.094 -0.087 0.000 1.535 278 V CA 0.484 62.721 62.300 -0.105 0.000 1.475 278 V CB -0.834 30.948 31.823 -0.068 0.000 1.441 278 V HN 0.400 nan 8.190 nan 0.000 0.500 279 T N -0.395 114.100 114.554 -0.098 0.000 2.904 279 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 279 T C 1.744 176.443 174.700 -0.003 0.000 1.059 279 T CA 0.951 63.049 62.100 -0.003 0.000 1.137 279 T CB -0.126 68.787 68.868 0.075 0.000 0.879 279 T HN 0.386 nan 8.240 nan 0.000 0.467 280 L N -0.113 121.081 121.223 -0.050 0.000 2.017 280 L HA 0.049 4.388 4.340 -0.001 0.000 0.208 280 L C 2.581 179.432 176.870 -0.032 0.000 1.073 280 L CA 1.135 55.962 54.840 -0.021 0.000 0.745 280 L CB -0.505 41.532 42.059 -0.036 0.000 0.894 280 L HN 0.239 nan 8.230 nan 0.000 0.432 281 I N -0.086 120.438 120.570 -0.076 0.000 2.226 281 I HA -0.180 3.989 4.170 -0.001 0.000 0.245 281 I C 2.255 178.301 176.117 -0.119 0.000 1.100 281 I CA 1.706 62.941 61.300 -0.107 0.000 1.374 281 I CB -0.978 36.923 38.000 -0.165 0.000 1.057 281 I HN 0.171 nan 8.210 nan 0.000 0.413 282 G N 0.057 108.792 108.800 -0.107 0.000 2.491 282 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 282 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 282 G C 1.539 176.390 174.900 -0.082 0.000 1.180 282 G CA 0.788 45.792 45.100 -0.159 0.000 0.774 282 G HN 0.417 nan 8.290 nan 0.000 0.562 283 E N 0.857 121.099 120.200 0.070 0.000 2.110 283 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 283 E C 2.945 179.609 176.600 0.106 0.000 0.988 283 E CA 1.036 57.528 56.400 0.153 0.000 0.804 283 E CB -0.560 29.216 29.700 0.128 0.000 0.745 283 E HN 0.371 nan 8.360 nan 0.000 0.458 284 A N 1.022 123.870 122.820 0.045 0.000 1.877 284 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 284 A C 2.645 180.275 177.584 0.078 0.000 1.186 284 A CA 1.568 53.639 52.037 0.057 0.000 0.620 284 A CB -0.768 18.278 19.000 0.077 0.000 0.822 284 A HN 0.137 nan 8.150 nan 0.000 0.443 285 V N -1.056 118.872 119.914 0.024 0.000 2.295 285 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 285 V C 2.349 178.438 176.094 -0.009 0.000 1.049 285 V CA 2.100 64.389 62.300 -0.020 0.000 1.024 285 V CB -0.988 30.689 31.823 -0.244 0.000 0.648 285 V HN 0.540 nan 8.190 nan 0.000 0.447 286 F N 0.791 120.766 119.950 0.042 0.000 2.216 286 F HA -0.088 4.439 4.527 -0.001 0.000 0.300 286 F C 2.400 178.215 175.800 0.024 0.000 1.085 286 F CA 0.879 58.897 58.000 0.030 0.000 1.326 286 F CB -1.312 37.705 39.000 0.028 0.000 1.027 286 F HN 0.101 nan 8.300 nan 0.000 0.497 287 A N 0.301 123.237 122.820 0.192 0.000 1.908 287 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 287 A C 2.426 180.050 177.584 0.067 0.000 1.181 287 A CA 1.647 53.750 52.037 0.109 0.000 0.627 287 A CB -0.654 18.390 19.000 0.072 0.000 0.818 287 A HN 0.295 nan 8.150 nan 0.000 0.445 288 R N -0.878 119.648 120.500 0.044 0.000 2.083 288 R HA -0.167 4.173 4.340 -0.001 0.000 0.237 288 R C 2.323 178.643 176.300 0.034 0.000 1.137 288 R CA 1.612 57.716 56.100 0.006 0.000 0.951 288 R CB -0.914 29.367 30.300 -0.033 0.000 0.851 288 R HN 0.639 nan 8.270 nan 0.000 0.434 289 C N 0.750 120.099 119.300 0.082 0.000 2.413 289 C HA -0.125 4.334 4.460 -0.001 0.000 0.276 289 C C 2.611 177.644 174.990 0.071 0.000 1.236 289 C CA 0.393 59.468 59.018 0.094 0.000 1.735 289 C CB -1.020 26.825 27.740 0.175 0.000 2.031 289 C HN 0.458 nan 8.230 nan 0.000 0.474 290 L N 2.409 123.680 121.223 0.080 0.000 2.042 290 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 290 L C 2.718 179.608 176.870 0.034 0.000 1.076 290 L CA 2.706 57.577 54.840 0.052 0.000 0.749 290 L CB -0.878 41.216 42.059 0.057 0.000 0.893 290 L HN 0.486 nan 8.230 nan 0.000 0.432 291 S N -2.391 113.325 115.700 0.027 0.000 2.423 291 S HA -0.135 4.334 4.470 -0.001 0.000 0.231 291 S C 1.972 176.575 174.600 0.005 0.000 1.014 291 S CA 1.173 59.379 58.200 0.010 0.000 0.965 291 S CB -0.759 62.438 63.200 -0.006 0.000 0.785 291 S HN 0.488 nan 8.310 nan 0.000 0.495 292 S N 1.790 117.495 115.700 0.009 0.000 2.447 292 S HA 0.208 4.677 4.470 -0.001 0.000 0.233 292 S C 1.095 175.701 174.600 0.009 0.000 1.006 292 S CA 0.604 58.807 58.200 0.006 0.000 0.957 292 S CB -0.524 62.681 63.200 0.009 0.000 0.773 292 S HN 0.522 nan 8.310 nan 0.000 0.507 293 L N 2.002 123.234 121.223 0.014 0.000 2.930 293 L HA 0.122 4.461 4.340 -0.001 0.000 0.250 293 L C 1.760 178.636 176.870 0.009 0.000 1.320 293 L CA -0.150 54.697 54.840 0.012 0.000 1.163 293 L CB -0.353 41.714 42.059 0.014 0.000 1.542 293 L HN 0.115 nan 8.230 nan 0.000 0.428 294 K N 0.908 121.311 120.400 0.006 0.000 2.020 294 K HA -0.222 4.098 4.320 -0.001 0.000 0.212 294 K C 1.521 178.125 176.600 0.006 0.000 1.050 294 K CA 1.876 58.166 56.287 0.005 0.000 0.929 294 K CB 0.020 32.521 32.500 0.001 0.000 0.714 294 K HN 0.296 nan 8.250 nan 0.000 0.443 295 D N 0.351 120.754 120.400 0.005 0.000 2.117 295 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 295 D C 1.824 178.128 176.300 0.006 0.000 0.987 295 D CA 1.144 55.147 54.000 0.005 0.000 0.829 295 D CB -0.071 40.732 40.800 0.004 0.000 0.961 295 D HN 0.450 nan 8.370 nan 0.000 0.460 296 E N 0.485 120.689 120.200 0.006 0.000 2.118 296 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 296 E C 2.241 178.846 176.600 0.008 0.000 0.992 296 E CA 0.660 57.064 56.400 0.006 0.000 0.804 296 E CB 0.101 29.804 29.700 0.006 0.000 0.741 296 E HN 0.213 nan 8.360 nan 0.000 0.458 297 R N 0.178 120.684 120.500 0.010 0.000 2.092 297 R HA -0.082 4.258 4.340 -0.001 0.000 0.231 297 R C 2.411 178.719 176.300 0.013 0.000 1.119 297 R CA 0.901 57.009 56.100 0.013 0.000 0.970 297 R CB -0.240 30.070 30.300 0.016 0.000 0.864 297 R HN 0.208 nan 8.270 nan 0.000 0.440 298 I N 0.641 121.217 120.570 0.011 0.000 2.163 298 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 298 I C 2.571 178.694 176.117 0.010 0.000 1.085 298 I CA 1.223 62.530 61.300 0.011 0.000 1.347 298 I CB -0.262 37.744 38.000 0.009 0.000 1.044 298 I HN 0.102 nan 8.210 nan 0.000 0.408 299 Q N 1.036 120.841 119.800 0.008 0.000 2.014 299 Q HA -0.202 4.137 4.340 -0.001 0.000 0.207 299 Q C 2.271 178.275 176.000 0.007 0.000 0.993 299 Q CA 2.567 58.374 55.803 0.007 0.000 0.850 299 Q CB -0.556 28.185 28.738 0.006 0.000 0.916 299 Q HN 0.532 nan 8.270 nan 0.000 0.417 300 A N -0.333 122.491 122.820 0.008 0.000 1.972 300 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 300 A C 2.160 179.750 177.584 0.010 0.000 1.169 300 A CA 1.958 53.999 52.037 0.008 0.000 0.635 300 A CB -0.883 18.122 19.000 0.008 0.000 0.810 300 A HN 0.543 nan 8.150 nan 0.000 0.446 301 S N 0.098 115.805 115.700 0.012 0.000 2.474 301 S HA -0.114 4.355 4.470 -0.001 0.000 0.235 301 S C 1.597 176.204 174.600 0.012 0.000 0.997 301 S CA 1.141 59.350 58.200 0.014 0.000 0.949 301 S CB -0.244 62.966 63.200 0.017 0.000 0.766 301 S HN 0.624 nan 8.310 nan 0.000 0.517 302 K N 1.203 121.609 120.400 0.010 0.000 2.305 302 K HA 0.165 4.485 4.320 -0.001 0.000 0.199 302 K C 1.711 178.316 176.600 0.008 0.000 1.047 302 K CA 0.606 56.898 56.287 0.009 0.000 0.976 302 K CB -0.023 32.481 32.500 0.008 0.000 0.765 302 K HN 0.431 nan 8.250 nan 0.000 0.474 303 K N 0.484 120.888 120.400 0.007 0.000 2.329 303 K HA 0.219 4.538 4.320 -0.001 0.000 0.198 303 K C 0.552 177.156 176.600 0.006 0.000 1.085 303 K CA 0.040 56.330 56.287 0.006 0.000 0.961 303 K CB 0.456 32.959 32.500 0.004 0.000 0.971 303 K HN -0.015 nan 8.250 nan 0.000 0.502 304 L N 2.810 124.037 121.223 0.006 0.000 2.260 304 L HA 0.260 4.599 4.340 -0.001 0.000 0.289 304 L C -0.348 176.526 176.870 0.007 0.000 1.057 304 L CA -0.438 54.405 54.840 0.006 0.000 0.811 304 L CB 0.964 43.026 42.059 0.006 0.000 1.184 304 L HN -0.075 nan 8.230 nan 0.000 0.429 305 K N 1.582 121.986 120.400 0.007 0.000 2.098 305 K HA 0.558 4.877 4.320 -0.001 0.000 0.261 305 K C 0.485 177.089 176.600 0.005 0.000 0.987 305 K CA -0.432 55.860 56.287 0.008 0.000 0.916 305 K CB 1.688 34.193 32.500 0.009 0.000 1.039 305 K HN 0.697 nan 8.250 nan 0.000 0.455 306 G N 1.363 110.166 108.800 0.004 0.000 2.641 306 G HA2 0.352 4.312 3.960 -0.001 0.000 0.239 306 G HA3 0.352 4.312 3.960 -0.001 0.000 0.239 306 G C -2.456 172.447 174.900 0.004 0.000 1.402 306 G CA -1.097 44.001 45.100 -0.003 0.000 1.046 306 G HN 0.342 nan 8.290 nan 0.000 0.565 307 P HA 0.183 nan 4.420 nan 0.000 0.271 307 P C 0.289 177.620 177.300 0.052 0.000 1.226 307 P CA -0.092 63.025 63.100 0.028 0.000 0.765 307 P CB 1.208 32.922 31.700 0.024 0.000 0.835 308 Q N 2.423 122.255 119.800 0.053 0.000 2.123 308 Q HA -0.023 4.317 4.340 -0.001 0.000 0.196 308 Q C 0.416 176.457 176.000 0.069 0.000 0.958 308 Q CA 1.487 57.320 55.803 0.050 0.000 0.841 308 Q CB 0.151 28.909 28.738 0.034 0.000 0.915 308 Q HN 0.457 nan 8.270 nan 0.000 0.455 309 K N 0.395 120.843 120.400 0.080 0.000 3.135 309 K HA 0.211 4.531 4.320 -0.001 0.000 0.210 309 K C -0.394 176.267 176.600 0.102 0.000 1.176 309 K CA -0.503 55.825 56.287 0.069 0.000 1.064 309 K CB -0.206 32.315 32.500 0.035 0.000 1.009 309 K HN -0.002 nan 8.250 nan 0.000 0.472 310 F N 2.361 122.311 119.950 0.000 0.000 2.443 310 F HA 0.197 4.724 4.527 -0.001 0.000 0.353 310 F C 0.085 175.891 175.800 0.010 0.000 1.101 310 F CA -0.210 57.791 58.000 0.002 0.000 1.226 310 F CB 0.914 39.915 39.000 0.001 0.000 1.140 310 F HN 0.094 nan 8.300 nan 0.000 0.557 311 Q N 6.343 125.601 119.800 -0.904 0.000 2.292 311 Q HA 0.292 4.632 4.340 -0.001 0.000 0.270 311 Q C -1.539 173.806 176.000 -1.091 0.000 1.024 311 Q CA -0.688 54.648 55.803 -0.778 0.000 0.768 311 Q CB 0.922 29.445 28.738 -0.359 0.000 1.250 311 Q HN 0.641 nan 8.270 nan 0.000 0.447 312 F N 3.992 123.361 119.950 -0.969 0.000 2.553 312 F HA 0.106 4.632 4.527 -0.001 0.000 0.356 312 F C 1.163 176.762 175.800 -0.334 0.000 1.142 312 F CA 0.131 57.810 58.000 -0.535 0.000 1.322 312 F CB 0.912 39.787 39.000 -0.209 0.000 1.126 312 F HN 0.813 nan 8.300 nan 0.000 0.599 313 D N 1.994 121.741 120.400 -1.090 0.000 2.363 313 D HA 0.075 4.715 4.640 -0.001 0.000 0.220 313 D C 1.498 177.372 176.300 -0.710 0.000 0.994 313 D CA 0.945 54.496 54.000 -0.748 0.000 0.890 313 D CB 0.147 40.606 40.800 -0.568 0.000 0.906 313 D HN 0.843 nan 8.370 nan 0.000 0.530 314 G N 1.199 109.379 108.800 -1.033 0.000 2.376 314 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.208 314 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.208 314 G C 0.042 174.862 174.900 -0.134 0.000 1.032 314 G CA 0.059 44.944 45.100 -0.359 0.000 0.641 314 G HN 0.398 nan 8.290 nan 0.000 0.503 315 D N 1.580 121.827 120.400 -0.255 0.000 2.455 315 D HA 0.316 4.955 4.640 -0.001 0.000 0.234 315 D C 1.464 177.962 176.300 0.330 0.000 1.224 315 D CA 0.266 54.291 54.000 0.043 0.000 0.999 315 D CB 0.674 41.475 40.800 0.002 0.000 1.072 315 D HN 0.552 nan 8.370 nan 0.000 0.514 316 K N 3.509 124.129 120.400 0.367 0.000 2.031 316 K HA -0.132 4.187 4.320 -0.001 0.000 0.205 316 K C 1.759 178.535 176.600 0.293 0.000 1.049 316 K CA 0.671 57.191 56.287 0.389 0.000 0.939 316 K CB 0.157 32.804 32.500 0.244 0.000 0.717 316 K HN 0.129 nan 8.250 nan 0.000 0.438 317 K N 0.378 120.897 120.400 0.198 0.000 2.026 317 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 317 K C 2.270 178.969 176.600 0.164 0.000 1.048 317 K CA 1.683 58.060 56.287 0.150 0.000 0.929 317 K CB -0.243 32.320 32.500 0.104 0.000 0.713 317 K HN 0.118 nan 8.250 nan 0.000 0.439 318 S N -0.066 115.740 115.700 0.176 0.000 2.370 318 S HA -0.173 4.297 4.470 -0.001 0.000 0.226 318 S C 1.696 176.425 174.600 0.216 0.000 1.033 318 S CA 1.272 59.570 58.200 0.163 0.000 1.011 318 S CB -0.407 62.880 63.200 0.145 0.000 0.852 318 S HN 0.441 nan 8.310 nan 0.000 0.457 319 F N 1.456 121.509 119.950 0.172 0.000 2.234 319 F HA 0.066 4.593 4.527 -0.001 0.000 0.299 319 F C 1.767 177.646 175.800 0.132 0.000 1.087 319 F CA 0.839 58.953 58.000 0.190 0.000 1.340 319 F CB -0.466 38.752 39.000 0.363 0.000 1.031 319 F HN 0.241 nan 8.300 nan 0.000 0.500 320 L N 0.780 122.086 121.223 0.139 0.000 2.046 320 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 320 L C 2.339 179.242 176.870 0.055 0.000 1.077 320 L CA 2.222 57.124 54.840 0.103 0.000 0.747 320 L CB -1.042 41.127 42.059 0.183 0.000 0.896 320 L HN 0.224 nan 8.230 nan 0.000 0.432 321 E N -0.437 119.784 120.200 0.035 0.000 2.110 321 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 321 E C 1.794 178.288 176.600 -0.177 0.000 0.988 321 E CA 1.595 57.967 56.400 -0.047 0.000 0.804 321 E CB -0.246 29.453 29.700 -0.003 0.000 0.745 321 E HN 0.519 nan 8.360 nan 0.000 0.458 322 D N 0.095 120.381 120.400 -0.190 0.000 2.104 322 D HA -0.161 4.478 4.640 -0.001 0.000 0.194 322 D C 2.044 178.110 176.300 -0.391 0.000 0.994 322 D CA 1.358 55.204 54.000 -0.257 0.000 0.830 322 D CB -0.275 40.376 40.800 -0.248 0.000 0.959 322 D HN 0.329 nan 8.370 nan 0.000 0.452 323 I N 0.600 120.861 120.570 -0.516 0.000 2.208 323 I HA -0.271 3.899 4.170 -0.001 0.000 0.245 323 I C 2.647 178.456 176.117 -0.512 0.000 1.097 323 I CA 0.956 61.977 61.300 -0.465 0.000 1.363 323 I CB -0.225 37.610 38.000 -0.276 0.000 1.051 323 I HN -0.048 nan 8.210 nan 0.000 0.413 324 R N 1.461 121.526 120.500 -0.724 0.000 2.080 324 R HA -0.191 4.148 4.340 -0.001 0.000 0.236 324 R C 2.299 178.246 176.300 -0.587 0.000 1.137 324 R CA 1.600 57.023 56.100 -1.128 0.000 0.943 324 R CB -0.041 29.504 30.300 -1.258 0.000 0.846 324 R HN 0.286 nan 8.270 nan 0.000 0.431 325 K N -0.184 119.978 120.400 -0.397 0.000 2.097 325 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 325 K C 2.090 178.514 176.600 -0.294 0.000 1.050 325 K CA 1.131 57.272 56.287 -0.244 0.000 0.938 325 K CB -0.115 32.282 32.500 -0.171 0.000 0.718 325 K HN 0.231 nan 8.250 nan 0.000 0.442 326 A N 1.827 124.434 122.820 -0.356 0.000 1.902 326 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 326 A C 2.143 179.529 177.584 -0.329 0.000 1.181 326 A CA 1.126 52.856 52.037 -0.511 0.000 0.623 326 A CB -0.503 18.192 19.000 -0.508 0.000 0.818 326 A HN 0.201 nan 8.150 nan 0.000 0.443 327 L N -1.663 119.521 121.223 -0.065 0.000 2.046 327 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 327 L C 2.253 179.167 176.870 0.072 0.000 1.077 327 L CA 2.139 57.106 54.840 0.212 0.000 0.747 327 L CB -1.089 41.046 42.059 0.126 0.000 0.896 327 L HN 0.518 nan 8.230 nan 0.000 0.432 328 Y N 0.339 120.524 120.300 -0.192 0.000 2.145 328 Y HA -0.190 4.359 4.550 -0.001 0.000 0.286 328 Y C 2.427 178.198 175.900 -0.216 0.000 1.145 328 Y CA 1.598 59.610 58.100 -0.147 0.000 1.148 328 Y CB -0.877 37.471 38.460 -0.186 0.000 0.981 328 Y HN 0.249 nan 8.280 nan 0.000 0.507 329 A N -0.871 121.625 122.820 -0.540 0.000 1.877 329 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 329 A C 2.462 179.612 177.584 -0.723 0.000 1.186 329 A CA 2.102 53.617 52.037 -0.871 0.000 0.620 329 A CB -1.137 17.007 19.000 -1.426 0.000 0.822 329 A HN 0.480 nan 8.150 nan 0.000 0.443 330 S N -0.368 114.975 115.700 -0.596 0.000 2.368 330 S HA -0.153 4.316 4.470 -0.001 0.000 0.225 330 S C 2.006 176.612 174.600 0.011 0.000 1.030 330 S CA 1.403 59.538 58.200 -0.108 0.000 0.999 330 S CB -0.268 63.045 63.200 0.188 0.000 0.844 330 S HN 0.624 nan 8.310 nan 0.000 0.459 331 K N 1.152 121.575 120.400 0.038 0.000 2.063 331 K HA -0.108 4.212 4.320 -0.001 0.000 0.208 331 K C 1.991 178.743 176.600 0.252 0.000 1.048 331 K CA 1.264 57.675 56.287 0.206 0.000 0.928 331 K CB -0.346 32.331 32.500 0.294 0.000 0.713 331 K HN 0.344 nan 8.250 nan 0.000 0.442 332 I N 1.329 121.897 120.570 -0.003 0.000 2.179 332 I HA -0.322 3.848 4.170 -0.001 0.000 0.242 332 I C 2.250 178.373 176.117 0.010 0.000 1.088 332 I CA 0.835 62.073 61.300 -0.104 0.000 1.357 332 I CB -0.266 37.547 38.000 -0.313 0.000 1.051 332 I HN 0.159 nan 8.210 nan 0.000 0.409 333 I N 0.233 120.824 120.570 0.035 0.000 2.151 333 I HA -0.344 3.826 4.170 -0.001 0.000 0.243 333 I C 2.787 178.924 176.117 0.033 0.000 1.080 333 I CA 1.605 62.956 61.300 0.086 0.000 1.339 333 I CB -1.518 36.604 38.000 0.203 0.000 1.039 333 I HN 0.274 nan 8.210 nan 0.000 0.409 334 S N 0.445 116.197 115.700 0.087 0.000 2.369 334 S HA -0.260 4.210 4.470 -0.001 0.000 0.225 334 S C 2.209 176.852 174.600 0.071 0.000 1.043 334 S CA 1.801 60.031 58.200 0.050 0.000 1.074 334 S CB -0.434 62.815 63.200 0.081 0.000 0.962 334 S HN 0.381 nan 8.310 nan 0.000 0.433 335 Y N 1.609 121.966 120.300 0.095 0.000 2.181 335 Y HA 0.055 4.605 4.550 -0.001 0.000 0.288 335 Y C 2.762 178.791 175.900 0.215 0.000 1.146 335 Y CA 0.763 58.995 58.100 0.220 0.000 1.164 335 Y CB -1.043 37.603 38.460 0.310 0.000 0.982 335 Y HN 0.376 nan 8.280 nan 0.000 0.515 336 A N -0.051 122.878 122.820 0.181 0.000 1.908 336 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 336 A C 2.130 179.755 177.584 0.069 0.000 1.181 336 A CA 1.985 54.063 52.037 0.069 0.000 0.627 336 A CB -0.731 18.253 19.000 -0.027 0.000 0.818 336 A HN 0.544 nan 8.150 nan 0.000 0.445 337 Q N -0.921 118.851 119.800 -0.046 0.000 2.050 337 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 337 Q C 2.297 178.285 176.000 -0.021 0.000 0.980 337 Q CA 1.157 56.882 55.803 -0.131 0.000 0.840 337 Q CB -0.540 28.032 28.738 -0.276 0.000 0.898 337 Q HN 0.689 nan 8.270 nan 0.000 0.424 338 G N 0.462 109.265 108.800 0.005 0.000 2.513 338 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.219 338 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.219 338 G C 1.022 175.916 174.900 -0.009 0.000 1.160 338 G CA 1.010 46.096 45.100 -0.023 0.000 0.767 338 G HN 0.257 nan 8.290 nan 0.000 0.571 339 F N 0.380 120.382 119.950 0.087 0.000 2.407 339 F HA 0.197 4.723 4.527 -0.001 0.000 0.299 339 F C 2.910 178.704 175.800 -0.009 0.000 1.097 339 F CA 0.731 58.773 58.000 0.071 0.000 1.422 339 F CB -0.119 38.964 39.000 0.138 0.000 1.067 339 F HN 0.056 nan 8.300 nan 0.000 0.539 340 M N -0.922 118.764 119.600 0.144 0.000 2.117 340 M HA -0.201 4.278 4.480 -0.001 0.000 0.262 340 M C 2.222 178.558 176.300 0.060 0.000 1.065 340 M CA 1.399 56.744 55.300 0.074 0.000 1.114 340 M CB -0.575 32.056 32.600 0.052 0.000 1.361 340 M HN 0.205 nan 8.290 nan 0.000 0.408 341 L N 0.742 122.005 121.223 0.068 0.000 2.056 341 L HA -0.113 4.227 4.340 -0.001 0.000 0.207 341 L C 2.082 179.058 176.870 0.178 0.000 1.078 341 L CA 1.734 56.643 54.840 0.114 0.000 0.749 341 L CB -0.645 41.473 42.059 0.098 0.000 0.901 341 L HN 0.238 nan 8.230 nan 0.000 0.433 342 L N -0.727 120.589 121.223 0.155 0.000 2.012 342 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 342 L C 2.797 179.783 176.870 0.193 0.000 1.073 342 L CA 1.716 56.692 54.840 0.226 0.000 0.748 342 L CB -0.577 41.564 42.059 0.138 0.000 0.891 342 L HN 0.307 nan 8.230 nan 0.000 0.431 343 R N -0.120 120.412 120.500 0.052 0.000 2.091 343 R HA -0.260 4.079 4.340 -0.001 0.000 0.238 343 R C 2.383 178.678 176.300 -0.008 0.000 1.136 343 R CA 1.855 57.964 56.100 0.015 0.000 0.959 343 R CB -0.132 30.107 30.300 -0.102 0.000 0.856 343 R HN 0.214 nan 8.270 nan 0.000 0.437 344 Q N 0.205 119.975 119.800 -0.049 0.000 2.084 344 Q HA -0.071 4.268 4.340 -0.001 0.000 0.202 344 Q C 1.820 177.579 176.000 -0.402 0.000 0.978 344 Q CA 2.146 57.854 55.803 -0.157 0.000 0.844 344 Q CB -0.333 28.355 28.738 -0.084 0.000 0.898 344 Q HN 0.445 nan 8.270 nan 0.000 0.426 345 A N 0.286 122.863 122.820 -0.405 0.000 1.902 345 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 345 A C 2.305 179.457 177.584 -0.719 0.000 1.181 345 A CA 2.026 53.574 52.037 -0.815 0.000 0.623 345 A CB -1.252 17.251 19.000 -0.828 0.000 0.818 345 A HN 0.510 nan 8.150 nan 0.000 0.443 346 A N -1.174 121.496 122.820 -0.251 0.000 1.908 346 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 346 A C 2.326 179.763 177.584 -0.245 0.000 1.181 346 A CA 2.463 54.435 52.037 -0.109 0.000 0.627 346 A CB -1.265 17.792 19.000 0.095 0.000 0.818 346 A HN 0.440 nan 8.150 nan 0.000 0.445 347 T N -0.445 113.942 114.554 -0.278 0.000 2.737 347 T HA -0.086 4.263 4.350 -0.001 0.000 0.265 347 T C 1.902 176.336 174.700 -0.442 0.000 1.038 347 T CA 1.392 63.330 62.100 -0.270 0.000 1.144 347 T CB -0.229 68.523 68.868 -0.193 0.000 0.866 347 T HN 0.442 nan 8.240 nan 0.000 0.434 348 E N 0.673 120.405 120.200 -0.781 0.000 2.085 348 E HA -0.064 4.285 4.350 -0.001 0.000 0.194 348 E C 1.450 177.470 176.600 -0.967 0.000 0.994 348 E CA 1.214 56.960 56.400 -1.091 0.000 0.801 348 E CB -0.210 28.289 29.700 -2.001 0.000 0.743 348 E HN 0.570 nan 8.360 nan 0.000 0.453 349 F N -1.685 117.858 119.950 -0.679 0.000 2.728 349 F HA 0.373 4.899 4.527 -0.001 0.000 0.314 349 F C 1.584 177.058 175.800 -0.543 0.000 1.094 349 F CA 0.280 57.808 58.000 -0.787 0.000 1.217 349 F CB 0.325 38.359 39.000 -1.609 0.000 1.056 349 F HN 0.062 nan 8.300 nan 0.000 0.577 350 G N -0.712 107.935 108.800 -0.256 0.000 2.162 350 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 350 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 350 G C 0.006 174.965 174.900 0.099 0.000 0.976 350 G CA -0.364 44.699 45.100 -0.061 0.000 0.655 350 G HN 0.130 nan 8.290 nan 0.000 0.533 351 W N 1.693 122.985 121.300 -0.013 0.000 2.264 351 W HA 0.451 5.111 4.660 -0.001 0.000 0.331 351 W C 1.220 177.688 176.519 -0.085 0.000 1.364 351 W CA 0.317 57.631 57.345 -0.052 0.000 1.253 351 W CB -0.229 29.182 29.460 -0.082 0.000 1.215 351 W HN 0.382 nan 8.180 nan 0.000 0.561 352 T N 1.980 116.612 114.554 0.129 0.000 3.579 352 T HA 0.492 4.841 4.350 -0.001 0.000 0.328 352 T C 0.084 174.714 174.700 -0.116 0.000 1.481 352 T CA -0.618 61.482 62.100 -0.000 0.000 1.144 352 T CB -0.470 68.399 68.868 0.001 0.000 1.205 352 T HN 0.173 nan 8.240 nan 0.000 0.812 353 L N 2.788 123.891 121.223 -0.200 0.000 2.349 353 L HA 0.358 4.698 4.340 -0.001 0.000 0.275 353 L C 0.838 177.293 176.870 -0.691 0.000 1.115 353 L CA -0.705 53.891 54.840 -0.407 0.000 0.820 353 L CB 0.511 42.347 42.059 -0.372 0.000 1.135 353 L HN 0.509 nan 8.230 nan 0.000 0.445 354 N N 2.441 120.825 118.700 -0.526 0.000 2.558 354 N HA 0.072 4.811 4.740 -0.001 0.000 0.233 354 N C 0.417 175.638 175.510 -0.483 0.000 1.038 354 N CA -0.156 52.612 53.050 -0.470 0.000 0.934 354 N CB 0.597 38.932 38.487 -0.254 0.000 1.175 354 N HN 0.363 nan 8.380 nan 0.000 0.512 355 Y N 1.919 122.029 120.300 -0.317 0.000 2.145 355 Y HA -0.006 4.543 4.550 -0.001 0.000 0.286 355 Y C 2.371 178.061 175.900 -0.349 0.000 1.145 355 Y CA 1.434 59.255 58.100 -0.464 0.000 1.148 355 Y CB -0.777 36.952 38.460 -1.218 0.000 0.981 355 Y HN 0.536 nan 8.280 nan 0.000 0.507 356 G N -0.106 108.595 108.800 -0.164 0.000 2.469 356 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.219 356 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.219 356 G C 2.063 176.957 174.900 -0.010 0.000 1.150 356 G CA 1.095 46.224 45.100 0.047 0.000 0.763 356 G HN 0.549 nan 8.290 nan 0.000 0.561 357 G N 0.802 109.552 108.800 -0.084 0.000 2.422 357 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.218 357 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.218 357 G C 1.779 176.568 174.900 -0.186 0.000 1.146 357 G CA 0.737 45.772 45.100 -0.107 0.000 0.769 357 G HN 0.450 nan 8.290 nan 0.000 0.547 358 I N 1.381 121.788 120.570 -0.271 0.000 2.179 358 I HA -0.199 3.970 4.170 -0.001 0.000 0.242 358 I C 3.311 179.010 176.117 -0.697 0.000 1.088 358 I CA 0.954 61.935 61.300 -0.532 0.000 1.357 358 I CB -0.221 37.446 38.000 -0.554 0.000 1.051 358 I HN 0.246 nan 8.210 nan 0.000 0.409 359 A N 1.011 123.686 122.820 -0.242 0.000 1.892 359 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 359 A C 2.294 179.910 177.584 0.054 0.000 1.188 359 A CA 1.633 53.694 52.037 0.041 0.000 0.631 359 A CB -0.941 18.188 19.000 0.215 0.000 0.822 359 A HN 0.416 nan 8.150 nan 0.000 0.447 360 L N -1.564 119.660 121.223 0.002 0.000 2.093 360 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 360 L C 2.780 179.675 176.870 0.041 0.000 1.085 360 L CA 1.292 56.158 54.840 0.044 0.000 0.755 360 L CB -0.507 41.569 42.059 0.029 0.000 0.904 360 L HN 0.426 nan 8.230 nan 0.000 0.435 361 M N -1.329 118.233 119.600 -0.064 0.000 2.346 361 M HA -0.217 4.262 4.480 -0.001 0.000 0.263 361 M C 1.376 177.804 176.300 0.213 0.000 1.064 361 M CA 1.573 56.865 55.300 -0.013 0.000 1.083 361 M CB -0.158 32.344 32.600 -0.163 0.000 1.399 361 M HN 0.349 nan 8.290 nan 0.000 0.435 362 W N -0.411 120.963 121.300 0.122 0.000 3.290 362 W HA 0.146 4.805 4.660 -0.001 0.000 0.287 362 W C 1.701 178.289 176.519 0.115 0.000 1.288 362 W CA 0.035 57.466 57.345 0.144 0.000 1.725 362 W CB -0.795 28.797 29.460 0.220 0.000 1.103 362 W HN 0.204 nan 8.180 nan 0.000 0.670 363 R N -0.304 120.366 120.500 0.283 0.000 2.236 363 R HA 0.145 4.484 4.340 -0.001 0.000 0.208 363 R C 1.213 177.596 176.300 0.138 0.000 1.036 363 R CA 0.825 57.038 56.100 0.188 0.000 1.001 363 R CB -0.034 30.351 30.300 0.142 0.000 0.896 363 R HN -0.024 nan 8.270 nan 0.000 0.464 364 G N -2.184 106.696 108.800 0.132 0.000 2.619 364 G HA2 0.418 4.377 3.960 -0.001 0.000 0.296 364 G HA3 0.418 4.377 3.960 -0.001 0.000 0.296 364 G C -0.090 174.842 174.900 0.053 0.000 1.334 364 G CA -0.338 44.812 45.100 0.083 0.000 0.934 364 G HN 0.081 nan 8.290 nan 0.000 0.476 365 G N -1.555 107.247 108.800 0.003 0.000 2.422 365 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.301 365 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.301 365 G C 0.369 175.216 174.900 -0.090 0.000 0.981 365 G CA 0.990 46.063 45.100 -0.046 0.000 0.994 365 G HN 1.722 nan 8.290 nan 0.000 0.514 366 C N 0.079 119.300 119.300 -0.132 0.000 2.686 366 C HA 0.641 5.100 4.460 -0.001 0.000 0.318 366 C C 1.625 176.491 174.990 -0.207 0.000 1.160 366 C CA -0.827 58.144 59.018 -0.079 0.000 1.396 366 C CB 0.555 28.350 27.740 0.092 0.000 1.924 366 C HN 0.311 nan 8.230 nan 0.000 0.471 367 I N 4.513 125.005 120.570 -0.130 0.000 2.394 367 I HA -0.084 4.086 4.170 -0.001 0.000 0.251 367 I C 1.743 177.851 176.117 -0.015 0.000 1.136 367 I CA 1.890 63.099 61.300 -0.152 0.000 1.425 367 I CB -0.619 37.383 38.000 0.002 0.000 1.079 367 I HN 0.824 nan 8.210 nan 0.000 0.425 368 I N -1.111 119.377 120.570 -0.136 0.000 3.884 368 I HA 0.219 4.388 4.170 -0.001 0.000 0.330 368 I C 1.105 177.267 176.117 0.074 0.000 1.451 368 I CA -0.448 60.788 61.300 -0.107 0.000 1.165 368 I CB -0.325 37.416 38.000 -0.431 0.000 1.097 368 I HN -0.019 nan 8.210 nan 0.000 0.404 369 R N 2.473 123.028 120.500 0.091 0.000 2.486 369 R HA 0.103 4.442 4.340 -0.001 0.000 0.303 369 R C -0.295 176.057 176.300 0.087 0.000 0.958 369 R CA 0.620 56.797 56.100 0.128 0.000 1.077 369 R CB 0.416 30.780 30.300 0.107 0.000 0.921 369 R HN 0.570 nan 8.270 nan 0.000 0.406 370 S N 2.602 118.306 115.700 0.007 0.000 2.569 370 S HA 0.104 4.574 4.470 -0.001 0.000 0.280 370 S C 0.446 174.950 174.600 -0.159 0.000 1.111 370 S CA -0.727 57.357 58.200 -0.194 0.000 0.887 370 S CB 2.000 64.809 63.200 -0.651 0.000 1.095 370 S HN 0.466 nan 8.310 nan 0.000 0.476 371 V N 3.575 123.413 119.914 -0.127 0.000 2.759 371 V HA 0.054 4.173 4.120 -0.001 0.000 0.256 371 V C 1.437 177.568 176.094 0.061 0.000 1.080 371 V CA 2.279 64.577 62.300 -0.003 0.000 1.101 371 V CB -1.078 30.769 31.823 0.040 0.000 0.698 371 V HN 0.880 nan 8.190 nan 0.000 0.477 372 F N -1.365 118.644 119.950 0.097 0.000 2.765 372 F HA 0.328 4.854 4.527 -0.001 0.000 0.302 372 F C 1.410 177.253 175.800 0.072 0.000 1.111 372 F CA -0.138 57.898 58.000 0.060 0.000 1.359 372 F CB -1.399 37.737 39.000 0.228 0.000 1.097 372 F HN 0.098 nan 8.300 nan 0.000 0.577 373 L N 1.056 122.457 121.223 0.296 0.000 2.129 373 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 373 L C 2.719 179.738 176.870 0.249 0.000 1.087 373 L CA 1.499 56.544 54.840 0.342 0.000 0.757 373 L CB -1.211 41.018 42.059 0.284 0.000 0.896 373 L HN 0.471 nan 8.230 nan 0.000 0.434 374 G N -0.596 108.294 108.800 0.150 0.000 2.422 374 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 374 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 374 G C 1.702 176.610 174.900 0.012 0.000 1.140 374 G CA 0.267 45.410 45.100 0.072 0.000 0.775 374 G HN 0.136 nan 8.290 nan 0.000 0.545 375 K N 0.445 120.810 120.400 -0.059 0.000 2.097 375 K HA 0.092 4.412 4.320 -0.001 0.000 0.205 375 K C 2.414 179.033 176.600 0.032 0.000 1.050 375 K CA 0.472 56.591 56.287 -0.281 0.000 0.938 375 K CB -0.453 31.455 32.500 -0.986 0.000 0.718 375 K HN 0.398 nan 8.250 nan 0.000 0.442 376 I N 1.068 121.781 120.570 0.237 0.000 2.179 376 I HA -0.307 3.862 4.170 -0.001 0.000 0.242 376 I C 2.449 178.683 176.117 0.195 0.000 1.088 376 I CA 1.223 62.630 61.300 0.179 0.000 1.357 376 I CB -0.314 37.765 38.000 0.131 0.000 1.051 376 I HN 0.104 nan 8.210 nan 0.000 0.409 377 K N 1.496 122.010 120.400 0.191 0.000 2.032 377 K HA -0.237 4.082 4.320 -0.001 0.000 0.209 377 K C 1.637 178.323 176.600 0.144 0.000 1.048 377 K CA 2.005 58.404 56.287 0.186 0.000 0.927 377 K CB -0.307 32.266 32.500 0.121 0.000 0.712 377 K HN 0.194 nan 8.250 nan 0.000 0.441 378 D N 0.222 120.662 120.400 0.066 0.000 2.123 378 D HA -0.157 4.482 4.640 -0.001 0.000 0.196 378 D C 1.841 178.153 176.300 0.021 0.000 0.992 378 D CA 1.685 55.700 54.000 0.025 0.000 0.833 378 D CB -0.524 40.252 40.800 -0.041 0.000 0.954 378 D HN 0.392 nan 8.370 nan 0.000 0.455 379 A N 0.371 123.184 122.820 -0.011 0.000 1.883 379 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 379 A C 2.070 179.562 177.584 -0.153 0.000 1.186 379 A CA 1.267 53.238 52.037 -0.110 0.000 0.624 379 A CB -1.067 17.812 19.000 -0.202 0.000 0.822 379 A HN 0.178 nan 8.150 nan 0.000 0.444 380 F N 0.278 120.243 119.950 0.026 0.000 2.325 380 F HA -0.073 4.454 4.527 -0.001 0.000 0.299 380 F C 2.054 177.887 175.800 0.055 0.000 1.090 380 F CA 1.155 59.186 58.000 0.052 0.000 1.392 380 F CB -0.258 38.792 39.000 0.083 0.000 1.053 380 F HN 0.198 nan 8.300 nan 0.000 0.521 381 D N -0.011 120.504 120.400 0.192 0.000 2.097 381 D HA -0.114 4.525 4.640 -0.001 0.000 0.197 381 D C 2.366 178.717 176.300 0.086 0.000 0.984 381 D CA 1.068 55.140 54.000 0.121 0.000 0.826 381 D CB -0.244 40.606 40.800 0.083 0.000 0.973 381 D HN 0.199 nan 8.370 nan 0.000 0.460 382 R N -0.153 120.382 120.500 0.058 0.000 2.148 382 R HA -0.050 4.290 4.340 -0.001 0.000 0.227 382 R C 0.335 176.662 176.300 0.045 0.000 1.103 382 R CA 0.661 56.785 56.100 0.039 0.000 0.983 382 R CB 0.101 30.412 30.300 0.018 0.000 0.874 382 R HN 0.006 nan 8.270 nan 0.000 0.451 383 N N -0.852 117.882 118.700 0.056 0.000 2.701 383 N HA 0.129 4.868 4.740 -0.001 0.000 0.258 383 N C -2.535 173.061 175.510 0.143 0.000 1.262 383 N CA -1.699 51.392 53.050 0.069 0.000 0.780 383 N CB 1.590 40.093 38.487 0.027 0.000 1.380 383 N HN -0.270 nan 8.380 nan 0.000 0.548 384 P HA -0.010 nan 4.420 nan 0.000 0.225 384 P C 0.422 177.915 177.300 0.321 0.000 1.148 384 P CA 0.982 64.253 63.100 0.286 0.000 0.779 384 P CB 0.480 32.289 31.700 0.181 0.000 0.780 385 E N -0.877 119.449 120.200 0.210 0.000 2.463 385 E HA 0.077 4.426 4.350 -0.001 0.000 0.193 385 E C 0.496 177.187 176.600 0.151 0.000 1.041 385 E CA -0.535 55.972 56.400 0.180 0.000 0.879 385 E CB -0.530 29.241 29.700 0.118 0.000 0.997 385 E HN 0.179 nan 8.360 nan 0.000 0.478 386 L N 1.872 123.176 121.223 0.136 0.000 2.747 386 L HA -0.182 4.157 4.340 -0.001 0.000 0.286 386 L C 1.190 178.098 176.870 0.064 0.000 1.216 386 L CA 0.898 55.752 54.840 0.024 0.000 0.930 386 L CB 0.452 42.383 42.059 -0.213 0.000 1.216 386 L HN 0.026 nan 8.230 nan 0.000 0.486 387 Q N 2.676 122.509 119.800 0.055 0.000 2.331 387 Q HA 0.091 4.431 4.340 -0.001 0.000 0.203 387 Q C -0.035 176.015 176.000 0.083 0.000 0.944 387 Q CA 0.673 56.525 55.803 0.081 0.000 0.892 387 Q CB 0.308 29.106 28.738 0.099 0.000 0.983 387 Q HN 0.829 nan 8.270 nan 0.000 0.482 388 N N -1.496 117.232 118.700 0.046 0.000 2.516 388 N HA 0.144 4.883 4.740 -0.001 0.000 0.268 388 N C -0.234 175.234 175.510 -0.070 0.000 1.096 388 N CA -0.224 52.841 53.050 0.024 0.000 0.954 388 N CB 1.083 39.635 38.487 0.108 0.000 1.676 388 N HN -0.127 nan 8.380 nan 0.000 0.490 389 L N 2.084 123.211 121.223 -0.160 0.000 2.191 389 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 389 L C 1.728 178.516 176.870 -0.135 0.000 1.103 389 L CA 1.030 55.676 54.840 -0.323 0.000 0.769 389 L CB -0.275 41.428 42.059 -0.593 0.000 0.908 389 L HN 0.661 nan 8.230 nan 0.000 0.438 390 L N -0.523 120.694 121.223 -0.010 0.000 2.191 390 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 390 L C 2.232 179.193 176.870 0.152 0.000 1.103 390 L CA 0.962 55.880 54.840 0.130 0.000 0.769 390 L CB -0.340 41.861 42.059 0.236 0.000 0.908 390 L HN 0.336 nan 8.230 nan 0.000 0.438 391 L N -1.011 120.279 121.223 0.113 0.000 2.418 391 L HA -0.014 4.326 4.340 -0.001 0.000 0.218 391 L C 0.691 177.600 176.870 0.064 0.000 1.125 391 L CA -0.038 54.857 54.840 0.092 0.000 0.835 391 L CB -0.423 41.683 42.059 0.079 0.000 0.953 391 L HN 0.196 nan 8.230 nan 0.000 0.454 392 D N -0.218 120.224 120.400 0.069 0.000 2.345 392 D HA -0.041 4.598 4.640 -0.001 0.000 0.247 392 D C 0.845 177.222 176.300 0.128 0.000 1.108 392 D CA -0.182 53.873 54.000 0.091 0.000 0.894 392 D CB 1.035 41.910 40.800 0.125 0.000 1.203 392 D HN -0.063 nan 8.370 nan 0.000 0.430 393 D N 2.440 122.889 120.400 0.082 0.000 2.117 393 D HA -0.188 4.452 4.640 -0.001 0.000 0.197 393 D C 1.550 177.864 176.300 0.024 0.000 0.987 393 D CA 0.797 54.828 54.000 0.051 0.000 0.829 393 D CB -0.280 40.541 40.800 0.036 0.000 0.961 393 D HN 0.518 nan 8.370 nan 0.000 0.460 394 F N 0.432 120.290 119.950 -0.154 0.000 2.126 394 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 394 F C 1.918 177.450 175.800 -0.446 0.000 1.096 394 F CA 1.460 59.255 58.000 -0.342 0.000 1.255 394 F CB -0.273 38.405 39.000 -0.535 0.000 0.997 394 F HN -0.141 nan 8.300 nan 0.000 0.479 395 F N 0.571 120.500 119.950 -0.035 0.000 2.270 395 F HA 0.022 4.548 4.527 -0.001 0.000 0.295 395 F C 2.439 178.131 175.800 -0.179 0.000 1.087 395 F CA 1.300 59.183 58.000 -0.194 0.000 1.365 395 F CB -0.918 38.005 39.000 -0.128 0.000 1.056 395 F HN -0.118 nan 8.300 nan 0.000 0.506 396 K N 0.365 120.811 120.400 0.078 0.000 2.032 396 K HA -0.161 4.159 4.320 -0.001 0.000 0.209 396 K C 2.103 178.689 176.600 -0.025 0.000 1.048 396 K CA 1.922 58.246 56.287 0.061 0.000 0.927 396 K CB -0.293 32.252 32.500 0.075 0.000 0.712 396 K HN 0.118 nan 8.250 nan 0.000 0.441 397 S N 0.654 116.294 115.700 -0.100 0.000 2.368 397 S HA -0.100 4.369 4.470 -0.001 0.000 0.224 397 S C 2.080 176.569 174.600 -0.185 0.000 1.029 397 S CA 1.080 59.201 58.200 -0.132 0.000 0.988 397 S CB -0.310 62.796 63.200 -0.157 0.000 0.838 397 S HN 0.551 nan 8.310 nan 0.000 0.462 398 A N 1.183 123.811 122.820 -0.320 0.000 1.883 398 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 398 A C 2.352 179.795 177.584 -0.236 0.000 1.186 398 A CA 1.635 53.483 52.037 -0.315 0.000 0.624 398 A CB -0.993 17.689 19.000 -0.531 0.000 0.822 398 A HN 0.338 nan 8.150 nan 0.000 0.444 399 V N -0.425 119.348 119.914 -0.235 0.000 2.343 399 V HA -0.208 3.911 4.120 -0.001 0.000 0.247 399 V C 2.686 178.703 176.094 -0.128 0.000 1.051 399 V CA 2.235 64.401 62.300 -0.225 0.000 1.036 399 V CB -0.707 30.998 31.823 -0.196 0.000 0.654 399 V HN 0.731 nan 8.190 nan 0.000 0.451 400 E N 0.284 120.449 120.200 -0.059 0.000 2.077 400 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 400 E C 1.995 178.587 176.600 -0.015 0.000 0.989 400 E CA 1.503 57.902 56.400 -0.001 0.000 0.800 400 E CB -0.431 29.281 29.700 0.019 0.000 0.746 400 E HN 0.770 nan 8.360 nan 0.000 0.452 401 N N -0.527 118.146 118.700 -0.046 0.000 2.459 401 N HA -0.029 4.710 4.740 -0.001 0.000 0.181 401 N C 1.641 177.133 175.510 -0.030 0.000 1.046 401 N CA 1.187 54.215 53.050 -0.036 0.000 0.904 401 N CB -0.380 38.077 38.487 -0.051 0.000 0.964 401 N HN 0.393 nan 8.380 nan 0.000 0.444 402 C N 0.083 119.355 119.300 -0.047 0.000 2.780 402 C HA 0.152 4.612 4.460 -0.001 0.000 0.267 402 C C 2.594 177.611 174.990 0.044 0.000 1.266 402 C CA -0.531 58.458 59.018 -0.049 0.000 1.709 402 C CB -0.612 27.038 27.740 -0.150 0.000 1.975 402 C HN 0.462 nan 8.230 nan 0.000 0.582 403 Q N 1.590 121.437 119.800 0.078 0.000 2.045 403 Q HA -0.259 4.080 4.340 -0.001 0.000 0.206 403 Q C 1.465 177.562 176.000 0.161 0.000 0.991 403 Q CA 2.166 58.074 55.803 0.174 0.000 0.851 403 Q CB -0.062 28.739 28.738 0.107 0.000 0.911 403 Q HN 0.540 nan 8.270 nan 0.000 0.418 404 D N -0.662 119.794 120.400 0.093 0.000 2.097 404 D HA -0.106 4.533 4.640 -0.001 0.000 0.195 404 D C 2.055 178.406 176.300 0.085 0.000 0.989 404 D CA 1.386 55.431 54.000 0.075 0.000 0.827 404 D CB -0.227 40.603 40.800 0.049 0.000 0.966 404 D HN 0.119 nan 8.370 nan 0.000 0.456 405 S N -0.291 115.450 115.700 0.069 0.000 2.368 405 S HA -0.161 4.309 4.470 -0.001 0.000 0.225 405 S C 1.598 176.249 174.600 0.084 0.000 1.030 405 S CA 0.668 58.891 58.200 0.039 0.000 0.999 405 S CB -0.251 62.931 63.200 -0.031 0.000 0.844 405 S HN 0.403 nan 8.310 nan 0.000 0.459 406 W N 2.838 124.070 121.300 -0.112 0.000 2.317 406 W HA -0.110 4.550 4.660 -0.001 0.000 0.318 406 W C 2.247 178.712 176.519 -0.090 0.000 1.227 406 W CA 1.262 58.527 57.345 -0.133 0.000 1.269 406 W CB -0.830 28.567 29.460 -0.105 0.000 1.155 406 W HN 0.248 nan 8.180 nan 0.000 0.484 407 R N -0.631 119.942 120.500 0.121 0.000 2.092 407 R HA -0.112 4.227 4.340 -0.001 0.000 0.231 407 R C 2.420 178.753 176.300 0.054 0.000 1.119 407 R CA 1.437 57.535 56.100 -0.003 0.000 0.970 407 R CB -0.585 29.710 30.300 -0.009 0.000 0.864 407 R HN 0.116 nan 8.270 nan 0.000 0.440 408 R N 0.637 121.195 120.500 0.095 0.000 2.073 408 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 408 R C 2.201 178.636 176.300 0.224 0.000 1.134 408 R CA 1.510 57.700 56.100 0.148 0.000 0.952 408 R CB -0.205 30.189 30.300 0.157 0.000 0.850 408 R HN 0.221 nan 8.270 nan 0.000 0.433 409 A N 0.058 122.960 122.820 0.137 0.000 1.877 409 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 409 A C 2.249 179.900 177.584 0.112 0.000 1.186 409 A CA 1.636 53.724 52.037 0.085 0.000 0.620 409 A CB -0.613 18.245 19.000 -0.235 0.000 0.822 409 A HN 0.217 nan 8.150 nan 0.000 0.443 410 V N -0.708 119.234 119.914 0.047 0.000 2.295 410 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 410 V C 2.788 178.925 176.094 0.073 0.000 1.049 410 V CA 2.312 64.641 62.300 0.049 0.000 1.024 410 V CB -0.801 31.027 31.823 0.008 0.000 0.648 410 V HN 0.613 nan 8.190 nan 0.000 0.447 411 S N -0.612 115.135 115.700 0.078 0.000 2.368 411 S HA -0.212 4.257 4.470 -0.001 0.000 0.225 411 S C 2.093 176.758 174.600 0.108 0.000 1.030 411 S CA 2.237 60.484 58.200 0.078 0.000 0.999 411 S CB -0.351 62.892 63.200 0.072 0.000 0.844 411 S HN 0.734 nan 8.310 nan 0.000 0.459 412 T N 0.807 115.464 114.554 0.172 0.000 2.737 412 T HA -0.015 4.335 4.350 -0.001 0.000 0.265 412 T C 1.913 176.650 174.700 0.061 0.000 1.038 412 T CA 1.274 63.487 62.100 0.190 0.000 1.144 412 T CB -1.027 67.995 68.868 0.256 0.000 0.866 412 T HN 0.539 nan 8.240 nan 0.000 0.434 413 G N 1.075 109.930 108.800 0.092 0.000 2.440 413 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.218 413 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.218 413 G C 1.714 176.571 174.900 -0.072 0.000 1.154 413 G CA 0.867 45.970 45.100 0.005 0.000 0.767 413 G HN 0.423 nan 8.290 nan 0.000 0.552 414 V N 0.431 120.336 119.914 -0.015 0.000 2.343 414 V HA -0.179 3.941 4.120 -0.001 0.000 0.247 414 V C 3.020 179.076 176.094 -0.064 0.000 1.051 414 V CA 1.923 64.209 62.300 -0.024 0.000 1.036 414 V CB -0.277 31.554 31.823 0.013 0.000 0.654 414 V HN 0.341 nan 8.190 nan 0.000 0.451 415 Q N -0.313 119.456 119.800 -0.052 0.000 2.167 415 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 415 Q C 2.296 178.107 176.000 -0.315 0.000 0.970 415 Q CA 1.741 57.531 55.803 -0.021 0.000 0.855 415 Q CB -0.478 28.381 28.738 0.201 0.000 0.911 415 Q HN 0.659 nan 8.270 nan 0.000 0.438 416 A N -0.273 122.085 122.820 -0.770 0.000 2.123 416 A HA 0.274 4.593 4.320 -0.001 0.000 0.214 416 A C 1.480 178.759 177.584 -0.508 0.000 1.152 416 A CA 1.113 52.412 52.037 -1.230 0.000 0.728 416 A CB -0.140 18.044 19.000 -1.359 0.000 0.814 416 A HN 0.429 nan 8.150 nan 0.000 0.464 417 G N -0.939 107.682 108.800 -0.298 0.000 2.132 417 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.228 417 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.228 417 G C -0.166 174.634 174.900 -0.165 0.000 1.000 417 G CA 0.051 45.049 45.100 -0.170 0.000 0.693 417 G HN 0.289 nan 8.290 nan 0.000 0.515 418 I N 1.356 121.806 120.570 -0.200 0.000 2.352 418 I HA 0.303 4.473 4.170 -0.001 0.000 0.290 418 I C -1.864 174.209 176.117 -0.073 0.000 1.036 418 I CA -3.413 57.750 61.300 -0.228 0.000 1.336 418 I CB 0.560 38.395 38.000 -0.274 0.000 1.407 418 I HN -0.124 nan 8.210 nan 0.000 0.497 419 P HA 0.193 nan 4.420 nan 0.000 0.265 419 P C -0.436 176.952 177.300 0.146 0.000 1.222 419 P CA 0.204 63.355 63.100 0.086 0.000 0.767 419 P CB 0.182 31.961 31.700 0.133 0.000 0.801 420 M N 5.497 125.191 119.600 0.157 0.000 2.952 420 M HA 0.236 4.715 4.480 -0.001 0.000 0.259 420 M C -1.877 174.539 176.300 0.193 0.000 1.306 420 M CA -1.594 53.845 55.300 0.232 0.000 0.626 420 M CB 1.790 34.609 32.600 0.366 0.000 1.423 420 M HN 0.107 nan 8.290 nan 0.000 0.459 421 P HA -0.106 nan 4.420 nan 0.000 0.216 421 P C 1.078 178.454 177.300 0.127 0.000 1.153 421 P CA 1.591 64.765 63.100 0.123 0.000 0.858 421 P CB 0.170 31.935 31.700 0.109 0.000 0.789 422 C N -2.771 116.578 119.300 0.082 0.000 2.505 422 C HA 0.055 4.514 4.460 -0.001 0.000 0.279 422 C C 2.512 177.588 174.990 0.144 0.000 1.316 422 C CA 0.127 59.175 59.018 0.051 0.000 1.720 422 C CB -1.968 25.736 27.740 -0.060 0.000 2.050 422 C HN 0.090 nan 8.230 nan 0.000 0.493 423 F N 2.373 122.447 119.950 0.207 0.000 2.095 423 F HA -0.168 4.359 4.527 -0.001 0.000 0.298 423 F C 2.785 178.753 175.800 0.281 0.000 1.104 423 F CA 2.117 60.297 58.000 0.300 0.000 1.232 423 F CB -1.424 37.739 39.000 0.273 0.000 0.987 423 F HN 0.303 nan 8.300 nan 0.000 0.475 424 T N -4.358 110.416 114.554 0.365 0.000 2.857 424 T HA -0.173 4.177 4.350 -0.001 0.000 0.266 424 T C 2.060 176.868 174.700 0.181 0.000 1.048 424 T CA 1.659 63.883 62.100 0.207 0.000 1.139 424 T CB -1.047 67.910 68.868 0.149 0.000 0.874 424 T HN 0.257 nan 8.240 nan 0.000 0.455 425 T N 1.130 115.804 114.554 0.201 0.000 2.821 425 T HA 0.148 4.498 4.350 -0.001 0.000 0.267 425 T C 2.228 177.086 174.700 0.263 0.000 1.046 425 T CA 1.332 63.548 62.100 0.194 0.000 1.139 425 T CB -0.837 68.127 68.868 0.160 0.000 0.871 425 T HN 0.535 nan 8.240 nan 0.000 0.454 426 A N 1.162 124.178 122.820 0.327 0.000 1.902 426 A HA 0.061 4.380 4.320 -0.001 0.000 0.217 426 A C 2.214 180.112 177.584 0.523 0.000 1.181 426 A CA 1.542 53.861 52.037 0.470 0.000 0.623 426 A CB -0.905 18.441 19.000 0.576 0.000 0.818 426 A HN 0.512 nan 8.150 nan 0.000 0.443 427 L N -0.098 121.270 121.223 0.242 0.000 2.056 427 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 427 L C 2.546 179.396 176.870 -0.034 0.000 1.078 427 L CA 2.454 57.080 54.840 -0.357 0.000 0.749 427 L CB -0.803 40.834 42.059 -0.705 0.000 0.901 427 L HN 0.295 nan 8.230 nan 0.000 0.433 428 S N -0.736 115.005 115.700 0.069 0.000 2.370 428 S HA -0.233 4.237 4.470 -0.001 0.000 0.226 428 S C 1.827 176.520 174.600 0.156 0.000 1.033 428 S CA 1.734 59.989 58.200 0.091 0.000 1.011 428 S CB -0.663 62.600 63.200 0.105 0.000 0.852 428 S HN 0.571 nan 8.310 nan 0.000 0.457 429 F N 1.132 121.157 119.950 0.125 0.000 2.102 429 F HA -0.146 4.380 4.527 -0.001 0.000 0.298 429 F C 2.110 178.035 175.800 0.208 0.000 1.105 429 F CA 1.407 59.499 58.000 0.153 0.000 1.239 429 F CB -0.623 38.468 39.000 0.151 0.000 0.991 429 F HN 0.237 nan 8.300 nan 0.000 0.474 430 Y N 1.455 121.853 120.300 0.163 0.000 2.128 430 Y HA -0.273 4.276 4.550 -0.001 0.000 0.284 430 Y C 2.247 178.149 175.900 0.004 0.000 1.154 430 Y CA 2.292 60.452 58.100 0.100 0.000 1.149 430 Y CB -0.883 37.698 38.460 0.203 0.000 0.976 430 Y HN 0.084 nan 8.280 nan 0.000 0.505 431 D N -0.531 119.848 120.400 -0.034 0.000 2.178 431 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 431 D C 2.310 178.604 176.300 -0.009 0.000 0.974 431 D CA 1.389 55.355 54.000 -0.057 0.000 0.841 431 D CB -0.707 40.115 40.800 0.036 0.000 0.953 431 D HN 0.550 nan 8.370 nan 0.000 0.478 432 G N -0.421 108.333 108.800 -0.076 0.000 2.394 432 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.214 432 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.214 432 G C 1.573 176.400 174.900 -0.122 0.000 1.176 432 G CA 0.275 45.324 45.100 -0.085 0.000 0.786 432 G HN 0.253 nan 8.290 nan 0.000 0.533 433 Y N 2.364 122.400 120.300 -0.440 0.000 2.274 433 Y HA -0.118 4.431 4.550 -0.001 0.000 0.290 433 Y C 2.849 178.573 175.900 -0.293 0.000 1.145 433 Y CA 1.794 59.630 58.100 -0.440 0.000 1.203 433 Y CB 0.019 38.060 38.460 -0.698 0.000 0.984 433 Y HN 0.326 nan 8.280 nan 0.000 0.533 434 R N -1.588 118.708 120.500 -0.339 0.000 2.254 434 R HA 0.032 4.371 4.340 -0.001 0.000 0.195 434 R C -0.199 175.912 176.300 -0.315 0.000 0.957 434 R CA 0.262 56.126 56.100 -0.393 0.000 1.024 434 R CB -0.713 29.274 30.300 -0.520 0.000 0.952 434 R HN 0.259 nan 8.270 nan 0.000 0.484 435 H N 1.612 120.532 119.070 -0.249 0.000 2.819 435 H HA 0.009 4.564 4.556 -0.001 0.000 0.303 435 H C 0.883 176.113 175.328 -0.163 0.000 1.058 435 H CA 0.260 56.203 56.048 -0.174 0.000 1.471 435 H CB 1.645 31.326 29.762 -0.135 0.000 1.480 435 H HN 0.344 nan 8.280 nan 0.000 0.517 436 E N 3.461 123.628 120.200 -0.054 0.000 2.072 436 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 436 E C -0.149 176.444 176.600 -0.012 0.000 0.985 436 E CA 0.918 57.284 56.400 -0.056 0.000 0.801 436 E CB 0.323 29.983 29.700 -0.066 0.000 0.750 436 E HN 0.404 nan 8.360 nan 0.000 0.452 437 M N 1.434 121.056 119.600 0.038 0.000 2.268 437 M HA 0.407 4.887 4.480 -0.001 0.000 0.344 437 M C -0.676 175.627 176.300 0.005 0.000 1.106 437 M CA -0.507 54.807 55.300 0.023 0.000 1.010 437 M CB 1.598 34.211 32.600 0.021 0.000 1.649 437 M HN 0.072 nan 8.290 nan 0.000 0.443 438 L N 3.738 124.941 121.223 -0.032 0.000 2.301 438 L HA 0.510 4.849 4.340 -0.001 0.000 0.264 438 L C -1.414 175.420 176.870 -0.060 0.000 1.016 438 L CA -1.606 53.189 54.840 -0.076 0.000 0.821 438 L CB 2.009 44.032 42.059 -0.060 0.000 1.346 438 L HN 0.461 nan 8.230 nan 0.000 0.429 439 P HA 0.027 nan 4.420 nan 0.000 0.247 439 P C 0.912 178.189 177.300 -0.038 0.000 1.225 439 P CA 0.202 63.269 63.100 -0.054 0.000 0.768 439 P CB 0.198 31.861 31.700 -0.062 0.000 1.020 440 A N 0.823 123.627 122.820 -0.027 0.000 2.024 440 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 440 A C 2.351 179.931 177.584 -0.008 0.000 1.164 440 A CA 2.031 54.063 52.037 -0.010 0.000 0.643 440 A CB -1.386 17.617 19.000 0.005 0.000 0.806 440 A HN 0.393 nan 8.150 nan 0.000 0.451 441 S N -0.212 115.479 115.700 -0.014 0.000 2.387 441 S HA -0.201 4.268 4.470 -0.001 0.000 0.230 441 S C 1.782 176.355 174.600 -0.045 0.000 1.035 441 S CA 1.519 59.708 58.200 -0.019 0.000 1.014 441 S CB -0.609 62.578 63.200 -0.022 0.000 0.836 441 S HN 0.475 nan 8.310 nan 0.000 0.466 442 L N 1.525 122.718 121.223 -0.050 0.000 2.093 442 L HA 0.203 4.542 4.340 -0.001 0.000 0.208 442 L C 2.166 178.989 176.870 -0.079 0.000 1.085 442 L CA 1.219 56.014 54.840 -0.075 0.000 0.755 442 L CB -0.829 41.191 42.059 -0.065 0.000 0.904 442 L HN 0.347 nan 8.230 nan 0.000 0.435 443 I N -0.799 119.746 120.570 -0.042 0.000 2.179 443 I HA -0.310 3.860 4.170 -0.001 0.000 0.242 443 I C 2.506 178.604 176.117 -0.032 0.000 1.088 443 I CA 0.995 62.282 61.300 -0.023 0.000 1.357 443 I CB -0.317 37.683 38.000 0.000 0.000 1.051 443 I HN 0.345 nan 8.210 nan 0.000 0.409 444 Q N 0.395 120.189 119.800 -0.011 0.000 2.096 444 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 444 Q C 2.444 178.434 176.000 -0.016 0.000 0.982 444 Q CA 1.952 57.774 55.803 0.032 0.000 0.850 444 Q CB -0.598 28.196 28.738 0.093 0.000 0.901 444 Q HN 0.597 nan 8.270 nan 0.000 0.422 445 A N 0.980 123.725 122.820 -0.125 0.000 1.883 445 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 445 A C 2.125 179.464 177.584 -0.410 0.000 1.186 445 A CA 1.770 53.633 52.037 -0.291 0.000 0.624 445 A CB -0.578 18.207 19.000 -0.357 0.000 0.822 445 A HN 0.424 nan 8.150 nan 0.000 0.444 446 Q N -0.722 118.910 119.800 -0.280 0.000 2.084 446 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 446 Q C 2.355 178.146 176.000 -0.349 0.000 0.978 446 Q CA 1.580 57.257 55.803 -0.211 0.000 0.844 446 Q CB -0.188 28.547 28.738 -0.004 0.000 0.898 446 Q HN 0.621 nan 8.270 nan 0.000 0.426 447 R N 0.448 120.729 120.500 -0.365 0.000 2.081 447 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 447 R C 1.843 177.971 176.300 -0.287 0.000 1.131 447 R CA 1.508 57.256 56.100 -0.587 0.000 0.960 447 R CB -0.237 29.922 30.300 -0.235 0.000 0.856 447 R HN 0.248 nan 8.270 nan 0.000 0.436 448 D N -0.142 120.256 120.400 -0.003 0.000 2.178 448 D HA -0.179 4.460 4.640 -0.001 0.000 0.202 448 D C 1.613 178.054 176.300 0.236 0.000 0.974 448 D CA 0.911 55.075 54.000 0.273 0.000 0.841 448 D CB -0.008 41.182 40.800 0.649 0.000 0.953 448 D HN 0.271 nan 8.370 nan 0.000 0.478 449 Y N -0.290 119.860 120.300 -0.251 0.000 2.133 449 Y HA -0.182 4.368 4.550 -0.001 0.000 0.287 449 Y C 1.840 177.757 175.900 0.028 0.000 1.134 449 Y CA 1.936 59.880 58.100 -0.261 0.000 1.133 449 Y CB -0.237 37.864 38.460 -0.599 0.000 0.987 449 Y HN 0.090 nan 8.280 nan 0.000 0.502 450 F N -1.831 118.334 119.950 0.358 0.000 2.530 450 F HA 0.424 4.950 4.527 -0.001 0.000 0.292 450 F C 1.756 177.651 175.800 0.159 0.000 1.109 450 F CA 0.816 58.978 58.000 0.269 0.000 1.450 450 F CB -0.711 38.400 39.000 0.185 0.000 1.114 450 F HN -0.109 nan 8.300 nan 0.000 0.560 451 G N -0.790 107.929 108.800 -0.135 0.000 3.274 451 G HA2 0.405 4.365 3.960 -0.001 0.000 0.250 451 G HA3 0.405 4.365 3.960 -0.001 0.000 0.250 451 G C 0.866 175.483 174.900 -0.471 0.000 1.024 451 G CA -0.035 44.938 45.100 -0.210 0.000 0.840 451 G HN 0.804 nan 8.290 nan 0.000 0.522 452 A N 0.745 123.448 122.820 -0.195 0.000 2.745 452 A HA -0.231 4.088 4.320 -0.001 0.000 0.296 452 A C 1.197 178.661 177.584 -0.200 0.000 1.500 452 A CA 1.100 53.018 52.037 -0.198 0.000 0.766 452 A CB -2.488 16.211 19.000 -0.501 0.000 1.030 452 A HN 0.617 nan 8.150 nan 0.000 0.489 453 H N 0.280 119.357 119.070 0.012 0.000 2.555 453 H HA 0.104 4.659 4.556 -0.001 0.000 0.269 453 H C 1.382 176.767 175.328 0.096 0.000 0.988 453 H CA 1.876 57.931 56.048 0.011 0.000 1.178 453 H CB -0.208 29.541 29.762 -0.022 0.000 1.373 453 H HN 1.607 nan 8.280 nan 0.000 0.588 454 T N -0.912 113.826 114.554 0.306 0.000 0.541 454 T HA -0.214 4.135 4.350 -0.001 0.000 0.774 454 T C -0.632 174.361 174.700 0.489 0.000 0.992 454 T CA 0.520 62.823 62.100 0.337 0.000 4.077 454 T CB -1.297 67.714 68.868 0.237 0.000 2.303 454 T HN 0.609 nan 8.240 nan 0.000 0.398 455 Y N -1.120 119.413 120.300 0.387 0.000 2.705 455 Y HA 0.855 5.405 4.550 -0.001 0.000 0.332 455 Y C -0.732 175.146 175.900 -0.037 0.000 1.221 455 Y CA -1.360 56.889 58.100 0.248 0.000 1.059 455 Y CB 0.986 39.561 38.460 0.192 0.000 1.298 455 Y HN 0.986 nan 8.280 nan 0.000 0.459 456 E N 1.551 121.756 120.200 0.008 0.000 2.244 456 E HA 0.579 4.928 4.350 -0.001 0.000 0.266 456 E C -1.339 175.312 176.600 0.084 0.000 0.914 456 E CA -1.063 55.194 56.400 -0.238 0.000 0.794 456 E CB 2.733 32.157 29.700 -0.461 0.000 1.210 456 E HN 0.534 nan 8.360 nan 0.000 0.414 457 L N 2.585 123.815 121.223 0.013 0.000 2.375 457 L HA 0.187 4.527 4.340 -0.001 0.000 0.271 457 L C 1.362 178.231 176.870 -0.002 0.000 1.107 457 L CA -0.283 54.591 54.840 0.056 0.000 0.806 457 L CB 0.592 42.673 42.059 0.036 0.000 1.146 457 L HN 0.576 nan 8.230 nan 0.000 0.447 458 L N 2.330 123.558 121.223 0.009 0.000 2.043 458 L HA -0.259 4.080 4.340 -0.001 0.000 0.212 458 L C 2.480 179.340 176.870 -0.016 0.000 1.075 458 L CA 1.788 56.623 54.840 -0.007 0.000 0.752 458 L CB -0.332 41.725 42.059 -0.003 0.000 0.891 458 L HN 0.889 nan 8.230 nan 0.000 0.432 459 A N -0.551 122.261 122.820 -0.013 0.000 2.168 459 A HA 0.034 4.353 4.320 -0.001 0.000 0.215 459 A C 1.418 178.986 177.584 -0.026 0.000 1.152 459 A CA 1.643 53.670 52.037 -0.017 0.000 0.716 459 A CB -0.454 18.539 19.000 -0.013 0.000 0.794 459 A HN 0.303 nan 8.150 nan 0.000 0.465 460 K N 0.563 120.941 120.400 -0.038 0.000 3.050 460 K HA 0.543 4.862 4.320 -0.001 0.000 0.185 460 K C -3.237 173.313 176.600 -0.084 0.000 1.147 460 K CA -1.379 54.878 56.287 -0.051 0.000 0.916 460 K CB -0.280 32.190 32.500 -0.050 0.000 1.119 460 K HN 0.217 nan 8.250 nan 0.000 0.605 461 P HA 0.390 nan 4.420 nan 0.000 0.269 461 P C 1.209 178.443 177.300 -0.111 0.000 1.209 461 P CA 1.803 64.838 63.100 -0.108 0.000 0.776 461 P CB 1.359 33.026 31.700 -0.056 0.000 0.876 462 G N -0.404 108.289 108.800 -0.178 0.000 2.254 462 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.225 462 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.225 462 G C 0.122 174.994 174.900 -0.048 0.000 1.003 462 G CA -0.013 45.055 45.100 -0.053 0.000 0.622 462 G HN 0.787 nan 8.290 nan 0.000 0.507 463 Q N 0.364 120.063 119.800 -0.168 0.000 2.340 463 Q HA 0.692 5.032 4.340 -0.001 0.000 0.259 463 Q C -0.653 175.195 176.000 -0.253 0.000 0.964 463 Q CA -0.727 55.018 55.803 -0.096 0.000 0.900 463 Q CB 0.430 29.126 28.738 -0.071 0.000 1.228 463 Q HN 0.417 nan 8.270 nan 0.000 0.449 464 F N 3.382 123.296 119.950 -0.061 0.000 2.394 464 F HA 0.626 5.152 4.527 -0.001 0.000 0.340 464 F C 0.497 176.195 175.800 -0.171 0.000 1.105 464 F CA -0.664 57.275 58.000 -0.102 0.000 1.124 464 F CB 1.253 40.223 39.000 -0.049 0.000 1.145 464 F HN 0.502 nan 8.300 nan 0.000 0.505 465 I N 2.107 122.555 120.570 -0.204 0.000 2.608 465 I HA 0.280 4.450 4.170 -0.001 0.000 0.295 465 I C -1.092 174.839 176.117 -0.310 0.000 1.049 465 I CA -0.807 60.283 61.300 -0.351 0.000 1.063 465 I CB 2.221 39.826 38.000 -0.658 0.000 1.248 465 I HN 0.539 nan 8.210 nan 0.000 0.424 466 H N 3.362 122.323 119.070 -0.182 0.000 2.489 466 H HA 0.556 5.111 4.556 -0.001 0.000 0.343 466 H C -1.188 174.120 175.328 -0.033 0.000 1.086 466 H CA -0.201 55.823 56.048 -0.040 0.000 1.198 466 H CB 1.602 31.370 29.762 0.010 0.000 1.490 466 H HN 0.485 nan 8.280 nan 0.000 0.504 467 T N 4.370 118.498 114.554 -0.711 0.000 2.859 467 T HA 0.104 4.453 4.350 -0.001 0.000 0.281 467 T C 0.166 174.316 174.700 -0.915 0.000 1.005 467 T CA -0.854 60.802 62.100 -0.740 0.000 1.025 467 T CB 0.503 68.846 68.868 -0.876 0.000 0.977 467 T HN 0.613 nan 8.240 nan 0.000 0.458 468 N N 2.209 120.572 118.700 -0.561 0.000 3.050 468 N HA 0.064 4.803 4.740 -0.001 0.000 0.289 468 N C 0.554 175.890 175.510 -0.290 0.000 1.209 468 N CA -0.521 52.348 53.050 -0.303 0.000 1.154 468 N CB -0.234 38.153 38.487 -0.167 0.000 1.444 468 N HN 0.646 nan 8.380 nan 0.000 0.529 469 W N 0.456 121.578 121.300 -0.297 0.000 2.318 469 W HA -0.206 4.454 4.660 -0.001 0.000 0.313 469 W C 2.511 178.835 176.519 -0.325 0.000 1.221 469 W CA 1.870 59.032 57.345 -0.304 0.000 1.266 469 W CB -0.744 28.434 29.460 -0.470 0.000 1.150 469 W HN 0.467 nan 8.180 nan 0.000 0.496 470 T N -3.236 111.204 114.554 -0.191 0.000 3.055 470 T HA 0.273 4.622 4.350 -0.001 0.000 0.265 470 T C 1.824 176.231 174.700 -0.489 0.000 1.111 470 T CA 1.091 63.047 62.100 -0.241 0.000 1.118 470 T CB -0.296 68.477 68.868 -0.159 0.000 0.909 470 T HN 0.498 nan 8.240 nan 0.000 0.501 471 G N 0.768 109.348 108.800 -0.367 0.000 2.176 471 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.253 471 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.253 471 G C -0.007 174.695 174.900 -0.329 0.000 0.979 471 G CA 0.396 45.276 45.100 -0.367 0.000 0.641 471 G HN 0.856 nan 8.290 nan 0.000 0.530 472 H N 0.000 119.072 119.070 0.003 0.000 2.539 472 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 472 H CA 0.000 56.056 56.048 0.013 0.000 1.023 472 H CB 0.000 29.774 29.762 0.020 0.000 1.292 472 H HN 0.000 nan 8.280 nan 0.000 0.496