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 3oet_1_G DATA FIRST_RESID 2 DATA SEQUENCE KILVDENXPY ARELFSRLGE VKXXXXXPIP VEELNHADAL XVRSVTKVNE DATA SEQUENCE SLLSGTPINF VGTATAGTDH VDEAWLKQAG IGFSAAPGCN AIAVVEYVFS DATA SEQUENCE ALLXLAERDG FSLRDRTIGI VGVGNVGSRL QTRLEALGIR TLLCDPPRAA DATA SEQUENCE RGDEGDFRTL DELVQEADVL TFHTPLYKDG PYKTLHLADE TLIRRLKPGA DATA SEQUENCE ILINACRGPV VDNAALLARL NAGQPLSVVL DVWEGEPDLN VALLEAVDIG DATA SEQUENCE TSHIAGYTLE GKARGTTQVF EAYSAFIGRE QRVALETLLP APEFGRITLH DATA SEQUENCE GPLDQPTLKR LAHLVYDVRR DDAPLRKVAG IPGEFDKLRK NYLERREWSS DATA SEQUENCE LYVXCDDETA AALLCKLGFN AVHH 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.641 176.600 0.069 0.000 0.988 2 K CA 0.000 56.342 56.287 0.092 0.000 0.838 2 K CB 0.000 32.550 32.500 0.084 0.000 1.064 3 I N 4.461 125.056 120.570 0.041 0.000 2.418 3 I HA 0.513 4.683 4.170 -0.000 0.000 0.287 3 I C 0.110 176.184 176.117 -0.071 0.000 1.008 3 I CA -0.902 60.371 61.300 -0.045 0.000 1.104 3 I CB 1.586 39.567 38.000 -0.032 0.000 1.264 3 I HN 0.595 nan 8.210 nan 0.000 0.438 4 L N 6.877 128.036 121.223 -0.106 0.000 2.357 4 L HA 0.928 5.268 4.340 -0.000 0.000 0.273 4 L C -0.346 176.431 176.870 -0.154 0.000 1.080 4 L CA -0.486 54.300 54.840 -0.090 0.000 0.803 4 L CB 1.530 43.554 42.059 -0.058 0.000 1.174 4 L HN 0.464 nan 8.230 nan 0.000 0.443 5 V N 1.823 121.672 119.914 -0.109 0.000 2.851 5 V HA 0.313 4.433 4.120 -0.000 0.000 0.307 5 V C -0.515 175.541 176.094 -0.062 0.000 1.129 5 V CA -0.935 61.293 62.300 -0.121 0.000 0.932 5 V CB 1.937 33.705 31.823 -0.091 0.000 1.024 5 V HN 1.066 nan 8.190 nan 0.000 0.426 6 D N 3.125 123.491 120.400 -0.057 0.000 2.472 6 D HA -0.053 4.587 4.640 -0.000 0.000 0.248 6 D C 1.151 177.435 176.300 -0.025 0.000 1.174 6 D CA 0.400 54.377 54.000 -0.038 0.000 0.883 6 D CB 1.166 41.944 40.800 -0.038 0.000 1.149 6 D HN 0.857 nan 8.370 nan 0.000 0.488 7 E N 3.423 123.608 120.200 -0.024 0.000 2.393 7 E HA -0.195 4.155 4.350 -0.000 0.000 0.201 7 E C -0.037 176.547 176.600 -0.026 0.000 1.025 7 E CA 0.681 57.070 56.400 -0.020 0.000 0.856 7 E CB 0.253 29.942 29.700 -0.020 0.000 0.771 7 E HN 0.361 nan 8.360 nan 0.000 0.526 11 Y N -0.285 120.008 120.300 -0.012 0.000 4.841 11 Y HA -0.228 4.322 4.550 0.000 0.000 0.242 11 Y C 1.637 177.526 175.900 -0.018 0.000 1.002 11 Y CA 0.972 59.050 58.100 -0.037 0.000 2.011 11 Y CB -2.367 36.049 38.460 -0.073 0.000 1.554 11 Y HN 0.607 nan 8.280 nan 0.000 0.618 12 A N -0.174 122.744 122.820 0.162 0.000 1.970 12 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 12 A C 2.250 179.983 177.584 0.249 0.000 1.170 12 A CA 1.484 53.684 52.037 0.271 0.000 0.645 12 A CB -0.376 18.775 19.000 0.252 0.000 0.816 12 A HN 0.514 nan 8.150 nan 0.000 0.447 13 R N -0.052 120.529 120.500 0.136 0.000 2.066 13 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 13 R C 1.988 178.335 176.300 0.078 0.000 1.131 13 R CA 1.522 57.687 56.100 0.108 0.000 0.955 13 R CB -0.266 30.071 30.300 0.063 0.000 0.851 13 R HN 0.626 nan 8.270 nan 0.000 0.432 14 E N 0.353 120.583 120.200 0.051 0.000 2.070 14 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 14 E C 2.074 178.607 176.600 -0.112 0.000 1.004 14 E CA 1.565 57.961 56.400 -0.006 0.000 0.805 14 E CB -0.052 29.661 29.700 0.021 0.000 0.744 14 E HN 0.373 nan 8.360 nan 0.000 0.451 15 L N -0.640 120.454 121.223 -0.214 0.000 2.034 15 L HA -0.085 4.255 4.340 -0.000 0.000 0.203 15 L C 2.283 178.923 176.870 -0.384 0.000 1.074 15 L CA 0.810 55.273 54.840 -0.629 0.000 0.748 15 L CB -0.290 41.179 42.059 -0.984 0.000 0.905 15 L HN 0.066 nan 8.230 nan 0.000 0.439 16 F N 0.203 120.182 119.950 0.047 0.000 2.407 16 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 16 F C 2.757 178.670 175.800 0.188 0.000 1.097 16 F CA 1.065 59.215 58.000 0.250 0.000 1.422 16 F CB -0.584 38.530 39.000 0.191 0.000 1.067 16 F HN 0.133 nan 8.300 nan 0.000 0.539 17 S N 0.041 115.883 115.700 0.236 0.000 2.603 17 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 17 S C 1.656 176.337 174.600 0.135 0.000 0.972 17 S CA 0.215 58.513 58.200 0.163 0.000 0.935 17 S CB -0.537 62.725 63.200 0.104 0.000 0.769 17 S HN 0.421 nan 8.310 nan 0.000 0.536 18 R N 0.211 120.803 120.500 0.155 0.000 2.297 18 R HA 0.359 4.699 4.340 -0.000 0.000 0.197 18 R C 0.974 177.385 176.300 0.185 0.000 0.943 18 R CA 0.437 56.626 56.100 0.149 0.000 1.038 18 R CB -0.154 30.239 30.300 0.154 0.000 0.957 18 R HN 0.429 nan 8.270 nan 0.000 0.484 19 L N -0.882 120.490 121.223 0.248 0.000 2.858 19 L HA 0.397 4.737 4.340 -0.000 0.000 0.251 19 L C 0.696 177.689 176.870 0.204 0.000 1.149 19 L CA -0.259 54.709 54.840 0.214 0.000 0.955 19 L CB 1.131 43.365 42.059 0.291 0.000 1.289 19 L HN 0.272 nan 8.230 nan 0.000 0.542 20 G N 0.043 108.955 108.800 0.187 0.000 2.332 20 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.265 20 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.265 20 G C -1.592 173.391 174.900 0.138 0.000 1.329 20 G CA -0.774 44.417 45.100 0.152 0.000 0.949 20 G HN -0.062 nan 8.290 nan 0.000 0.476 21 E N -0.589 119.679 120.200 0.114 0.000 2.197 21 E HA 0.566 4.916 4.350 -0.000 0.000 0.281 21 E C -0.613 176.037 176.600 0.083 0.000 0.995 21 E CA -0.488 55.965 56.400 0.087 0.000 0.808 21 E CB 1.738 31.479 29.700 0.068 0.000 1.093 21 E HN 0.372 nan 8.360 nan 0.000 0.394 22 V N 4.231 124.190 119.914 0.075 0.000 2.581 22 V HA 0.455 4.574 4.120 -0.000 0.000 0.303 22 V C -0.109 176.007 176.094 0.036 0.000 1.041 22 V CA -0.505 61.834 62.300 0.064 0.000 0.907 22 V CB 1.861 33.740 31.823 0.094 0.000 0.994 22 V HN 0.661 nan 8.190 nan 0.000 0.442 30 I N 3.043 123.602 120.570 -0.018 0.000 2.307 30 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 30 I C -1.712 174.399 176.117 -0.009 0.000 1.021 30 I CA -1.725 59.566 61.300 -0.014 0.000 1.224 30 I CB 1.260 39.250 38.000 -0.016 0.000 1.376 30 I HN 0.021 nan 8.210 nan 0.000 0.470 31 P HA 0.001 nan 4.420 nan 0.000 0.267 31 P C 1.137 178.443 177.300 0.010 0.000 1.205 31 P CA -0.239 62.862 63.100 0.001 0.000 0.765 31 P CB 1.023 32.724 31.700 0.002 0.000 0.828 32 V N 1.918 121.838 119.914 0.011 0.000 2.324 32 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 32 V C 1.948 178.069 176.094 0.045 0.000 1.060 32 V CA 1.723 64.035 62.300 0.020 0.000 1.042 32 V CB -1.576 30.255 31.823 0.014 0.000 0.650 32 V HN 0.476 nan 8.190 nan 0.000 0.450 33 E N 0.210 120.439 120.200 0.049 0.000 2.187 33 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 33 E C 2.309 178.970 176.600 0.102 0.000 1.004 33 E CA 1.669 58.117 56.400 0.080 0.000 0.813 33 E CB -0.208 29.516 29.700 0.040 0.000 0.736 33 E HN 0.729 nan 8.360 nan 0.000 0.468 34 E N 0.624 120.860 120.200 0.060 0.000 2.046 34 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 34 E C 2.363 179.008 176.600 0.076 0.000 0.982 34 E CA 0.533 56.968 56.400 0.057 0.000 0.800 34 E CB -0.201 29.513 29.700 0.024 0.000 0.756 34 E HN 0.301 nan 8.360 nan 0.000 0.449 35 L N 1.515 122.769 121.223 0.052 0.000 2.191 35 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 35 L C 1.736 178.632 176.870 0.043 0.000 1.103 35 L CA 0.754 55.617 54.840 0.039 0.000 0.769 35 L CB -0.356 41.715 42.059 0.020 0.000 0.908 35 L HN 0.037 nan 8.230 nan 0.000 0.438 36 N N -1.460 117.274 118.700 0.057 0.000 2.467 36 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 36 N C 1.010 176.445 175.510 -0.125 0.000 1.106 36 N CA 0.786 53.828 53.050 -0.013 0.000 0.892 36 N CB 0.040 38.522 38.487 -0.009 0.000 0.969 36 N HN 0.404 nan 8.380 nan 0.000 0.454 37 H N -1.270 117.814 119.070 0.024 0.000 2.767 37 H HA 0.446 5.002 4.556 0.000 0.000 0.260 37 H C -0.204 175.143 175.328 0.032 0.000 1.172 37 H CA -0.195 55.870 56.048 0.028 0.000 1.048 37 H CB 0.921 30.696 29.762 0.022 0.000 1.697 37 H HN 0.030 nan 8.280 nan 0.000 0.606 38 A N 0.250 123.130 122.820 0.100 0.000 2.330 38 A HA 0.359 4.679 4.320 -0.000 0.000 0.329 38 A C 0.306 177.933 177.584 0.071 0.000 1.135 38 A CA -0.576 51.506 52.037 0.076 0.000 0.817 38 A CB 1.311 20.339 19.000 0.047 0.000 1.269 38 A HN 0.160 nan 8.150 nan 0.000 0.469 39 D N -0.159 120.290 120.400 0.082 0.000 2.433 39 D HA 0.424 5.064 4.640 -0.000 0.000 0.211 39 D C 0.147 176.512 176.300 0.108 0.000 1.114 39 D CA 1.155 55.226 54.000 0.119 0.000 0.837 39 D CB 0.934 41.835 40.800 0.168 0.000 0.984 39 D HN 0.746 nan 8.370 nan 0.000 0.505 40 A N 0.556 123.384 122.820 0.013 0.000 2.599 40 A HA 0.549 4.869 4.320 -0.000 0.000 0.294 40 A C -1.948 175.553 177.584 -0.138 0.000 1.055 40 A CA -0.585 51.391 52.037 -0.102 0.000 0.683 40 A CB 1.502 20.246 19.000 -0.428 0.000 1.278 40 A HN 0.045 nan 8.150 nan 0.000 0.412 44 R N 1.148 121.621 120.500 -0.044 0.000 2.810 44 R HA 0.526 4.866 4.340 -0.000 0.000 0.245 44 R C 1.533 177.677 176.300 -0.259 0.000 1.168 44 R CA 0.110 56.162 56.100 -0.080 0.000 1.096 44 R CB 1.206 31.461 30.300 -0.074 0.000 1.259 44 R HN 1.005 nan 8.270 nan 0.000 0.518 45 S N -0.372 115.103 115.700 -0.375 0.000 2.461 45 S HA -0.180 4.290 4.470 -0.000 0.000 0.249 45 S C 1.768 175.992 174.600 -0.627 0.000 1.012 45 S CA 1.731 59.432 58.200 -0.831 0.000 0.982 45 S CB -0.851 62.149 63.200 -0.332 0.000 0.764 45 S HN 0.469 nan 8.310 nan 0.000 0.506 46 V N 0.161 119.889 119.914 -0.309 0.000 2.283 46 V HA 0.039 4.159 4.120 -0.000 0.000 0.243 46 V C 1.739 177.761 176.094 -0.120 0.000 1.039 46 V CA 1.396 63.596 62.300 -0.167 0.000 1.016 46 V CB -2.111 29.650 31.823 -0.103 0.000 0.650 46 V HN 0.697 nan 8.190 nan 0.000 0.449 47 T N 0.893 115.389 114.554 -0.097 0.000 2.761 47 T HA 0.278 4.628 4.350 -0.000 0.000 0.296 47 T C -0.089 174.625 174.700 0.024 0.000 0.934 47 T CA -0.531 61.550 62.100 -0.033 0.000 1.091 47 T CB 0.282 69.136 68.868 -0.023 0.000 0.896 47 T HN 0.509 nan 8.240 nan 0.000 0.515 48 K N 4.360 124.772 120.400 0.020 0.000 2.110 48 K HA 0.282 4.602 4.320 -0.000 0.000 0.260 48 K C -0.256 176.350 176.600 0.010 0.000 1.126 48 K CA -0.433 55.880 56.287 0.044 0.000 1.005 48 K CB 0.209 32.715 32.500 0.010 0.000 1.336 48 K HN 0.492 nan 8.250 nan 0.000 0.369 49 V N 4.310 124.246 119.914 0.036 0.000 2.479 49 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 49 V C 0.223 176.285 176.094 -0.053 0.000 1.031 49 V CA 0.144 62.442 62.300 -0.003 0.000 1.038 49 V CB -0.416 31.425 31.823 0.029 0.000 0.981 49 V HN 0.951 nan 8.190 nan 0.000 0.478 50 N N 1.678 120.313 118.700 -0.109 0.000 3.179 50 N HA 0.255 4.995 4.740 -0.000 0.000 0.250 50 N C 0.605 175.758 175.510 -0.595 0.000 1.507 50 N CA -0.722 52.181 53.050 -0.246 0.000 0.883 50 N CB 1.354 39.708 38.487 -0.222 0.000 1.435 50 N HN 0.316 nan 8.380 nan 0.000 0.532 51 E N 0.072 119.591 120.200 -1.135 0.000 2.051 51 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 51 E C 0.267 176.443 176.600 -0.707 0.000 0.991 51 E CA 1.149 56.550 56.400 -1.666 0.000 0.799 51 E CB -0.121 28.493 29.700 -1.809 0.000 0.748 51 E HN 0.518 nan 8.360 nan 0.000 0.449 52 S N 0.063 115.488 115.700 -0.459 0.000 3.188 52 S HA 0.055 4.525 4.470 -0.000 0.000 0.257 52 S C 0.526 175.009 174.600 -0.194 0.000 1.163 52 S CA 0.077 58.122 58.200 -0.257 0.000 1.259 52 S CB -0.064 63.023 63.200 -0.188 0.000 0.995 52 S HN 0.283 nan 8.310 nan 0.000 0.474 53 L N -1.310 119.788 121.223 -0.208 0.000 2.726 53 L HA 0.357 4.697 4.340 -0.000 0.000 0.287 53 L C 0.944 177.773 176.870 -0.068 0.000 1.047 53 L CA 0.638 55.409 54.840 -0.116 0.000 1.304 53 L CB 0.087 42.089 42.059 -0.096 0.000 2.440 53 L HN 0.288 nan 8.230 nan 0.000 0.569 54 L N -0.861 120.320 121.223 -0.070 0.000 2.445 54 L HA 0.293 4.633 4.340 -0.000 0.000 0.207 54 L C 1.080 178.027 176.870 0.128 0.000 1.053 54 L CA 0.589 55.468 54.840 0.065 0.000 0.841 54 L CB -0.277 41.894 42.059 0.187 0.000 1.074 54 L HN 0.279 nan 8.230 nan 0.000 0.479 55 S N 0.933 116.731 115.700 0.164 0.000 2.599 55 S HA 0.076 4.546 4.470 -0.000 0.000 0.303 55 S C 1.330 175.993 174.600 0.105 0.000 1.267 55 S CA 0.455 58.785 58.200 0.218 0.000 1.055 55 S CB 0.598 63.914 63.200 0.192 0.000 0.790 55 S HN 0.676 nan 8.310 nan 0.000 0.500 56 G N 2.233 111.093 108.800 0.100 0.000 2.245 56 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.264 56 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.264 56 G C 0.450 175.370 174.900 0.034 0.000 0.985 56 G CA 1.012 46.145 45.100 0.054 0.000 0.625 56 G HN 1.954 nan 8.290 nan 0.000 0.536 57 T N -1.288 113.294 114.554 0.046 0.000 2.874 57 T HA 0.624 4.974 4.350 -0.000 0.000 0.281 57 T C -0.976 173.747 174.700 0.038 0.000 0.994 57 T CA -0.690 61.426 62.100 0.027 0.000 1.015 57 T CB 1.997 70.884 68.868 0.032 0.000 1.028 57 T HN -0.027 nan 8.240 nan 0.000 0.523 58 P HA 0.284 nan 4.420 nan 0.000 0.245 58 P C 0.195 177.542 177.300 0.078 0.000 1.212 58 P CA -0.055 63.071 63.100 0.043 0.000 0.774 58 P CB -0.263 31.450 31.700 0.022 0.000 0.999 59 I N 2.502 123.118 120.570 0.077 0.000 2.792 59 I HA -0.083 4.087 4.170 -0.000 0.000 0.284 59 I C 0.918 177.106 176.117 0.118 0.000 1.166 59 I CA 0.405 61.759 61.300 0.090 0.000 1.375 59 I CB -0.136 37.907 38.000 0.070 0.000 1.421 59 I HN 0.085 nan 8.210 nan 0.000 0.544 60 N N 7.665 126.463 118.700 0.163 0.000 2.328 60 N HA 0.127 4.867 4.740 -0.000 0.000 0.247 60 N C -0.702 174.918 175.510 0.183 0.000 1.165 60 N CA -0.265 52.907 53.050 0.203 0.000 0.873 60 N CB 0.589 39.247 38.487 0.285 0.000 1.125 60 N HN 0.452 nan 8.380 nan 0.000 0.513 61 F N 0.009 119.899 119.950 -0.100 0.000 2.639 61 F HA 0.383 4.910 4.527 -0.000 0.000 0.326 61 F C -1.902 173.794 175.800 -0.173 0.000 1.150 61 F CA -0.763 57.081 58.000 -0.261 0.000 1.057 61 F CB 1.462 40.167 39.000 -0.491 0.000 1.300 61 F HN -0.197 nan 8.300 nan 0.000 0.486 62 V N 4.572 124.075 119.914 -0.685 0.000 2.448 62 V HA 0.830 4.950 4.120 -0.000 0.000 0.295 62 V C 0.036 175.770 176.094 -0.601 0.000 1.025 62 V CA -0.505 61.574 62.300 -0.368 0.000 0.859 62 V CB 1.629 33.415 31.823 -0.062 0.000 0.988 62 V HN 0.967 nan 8.190 nan 0.000 0.431 63 G N 1.327 109.987 108.800 -0.233 0.000 2.544 63 G HA2 0.544 4.504 3.960 -0.000 0.000 0.313 63 G HA3 0.544 4.504 3.960 -0.000 0.000 0.313 63 G C -0.577 174.311 174.900 -0.020 0.000 1.316 63 G CA -0.446 44.582 45.100 -0.120 0.000 0.944 63 G HN 0.603 nan 8.290 nan 0.000 0.489 64 T N 0.840 115.386 114.554 -0.014 0.000 2.756 64 T HA 0.506 4.856 4.350 -0.000 0.000 0.290 64 T C 0.821 175.580 174.700 0.098 0.000 0.985 64 T CA -0.014 62.165 62.100 0.132 0.000 0.955 64 T CB 0.799 69.872 68.868 0.342 0.000 0.930 64 T HN 0.832 nan 8.240 nan 0.000 0.451 65 A N 4.604 127.486 122.820 0.103 0.000 2.958 65 A HA 0.472 4.792 4.320 -0.000 0.000 0.247 65 A C 0.827 178.461 177.584 0.084 0.000 1.679 65 A CA -0.244 51.852 52.037 0.098 0.000 1.345 65 A CB -0.793 18.268 19.000 0.102 0.000 1.013 65 A HN 0.780 nan 8.150 nan 0.000 0.641 66 T N -2.135 112.479 114.554 0.100 0.000 2.900 66 T HA 0.531 4.881 4.350 -0.000 0.000 0.303 66 T C 1.088 175.844 174.700 0.093 0.000 1.142 66 T CA 0.236 62.399 62.100 0.105 0.000 1.007 66 T CB 1.470 70.441 68.868 0.171 0.000 1.156 66 T HN 0.540 nan 8.240 nan 0.000 0.490 67 A N 2.350 125.218 122.820 0.080 0.000 1.930 67 A HA 0.395 4.715 4.320 -0.000 0.000 0.217 67 A C 1.303 178.936 177.584 0.082 0.000 1.175 67 A CA 1.396 53.475 52.037 0.070 0.000 0.627 67 A CB -1.008 18.028 19.000 0.060 0.000 0.815 67 A HN 0.991 nan 8.150 nan 0.000 0.443 68 G N -2.313 106.549 108.800 0.104 0.000 2.511 68 G HA2 0.442 4.402 3.960 -0.000 0.000 0.316 68 G HA3 0.442 4.402 3.960 -0.000 0.000 0.316 68 G C 0.296 175.239 174.900 0.072 0.000 1.210 68 G CA 0.546 45.702 45.100 0.094 0.000 0.969 68 G HN 0.591 nan 8.290 nan 0.000 0.492 69 T N -3.146 111.394 114.554 -0.022 0.000 3.475 69 T HA 0.194 4.544 4.350 -0.000 0.000 0.310 69 T C 0.196 174.715 174.700 -0.303 0.000 0.963 69 T CA -0.174 61.795 62.100 -0.217 0.000 0.985 69 T CB 0.537 69.382 68.868 -0.037 0.000 1.198 69 T HN 0.292 nan 8.240 nan 0.000 0.508 70 D N 2.384 122.702 120.400 -0.137 0.000 2.348 70 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 70 D C 1.623 177.906 176.300 -0.029 0.000 0.970 70 D CA 0.844 54.816 54.000 -0.046 0.000 0.889 70 D CB -0.051 40.773 40.800 0.040 0.000 0.912 70 D HN 0.777 nan 8.370 nan 0.000 0.524 71 H N -0.787 118.286 119.070 0.004 0.000 2.539 71 H HA 0.185 4.741 4.556 0.000 0.000 0.267 71 H C 0.163 175.469 175.328 -0.038 0.000 0.982 71 H CA 0.041 56.082 56.048 -0.011 0.000 1.146 71 H CB -0.009 29.754 29.762 0.002 0.000 1.382 71 H HN -0.144 nan 8.280 nan 0.000 0.577 72 V N 1.830 121.599 119.914 -0.241 0.000 2.531 72 V HA 0.072 4.192 4.120 -0.000 0.000 0.301 72 V C -0.404 175.546 176.094 -0.241 0.000 1.034 72 V CA -1.040 61.104 62.300 -0.261 0.000 0.865 72 V CB 2.238 33.791 31.823 -0.451 0.000 0.995 72 V HN 0.132 nan 8.190 nan 0.000 0.424 73 D N 3.055 123.358 120.400 -0.162 0.000 2.483 73 D HA 0.173 4.813 4.640 -0.000 0.000 0.220 73 D C 1.062 177.287 176.300 -0.124 0.000 1.173 73 D CA -0.019 53.923 54.000 -0.097 0.000 0.964 73 D CB 0.838 41.629 40.800 -0.014 0.000 1.046 73 D HN 0.644 nan 8.370 nan 0.000 0.517 74 E N 1.854 121.907 120.200 -0.246 0.000 2.150 74 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 74 E C 1.923 178.450 176.600 -0.122 0.000 0.985 74 E CA 1.017 57.235 56.400 -0.304 0.000 0.814 74 E CB 0.128 29.628 29.700 -0.333 0.000 0.752 74 E HN 0.593 nan 8.360 nan 0.000 0.466 75 A N 0.813 123.602 122.820 -0.052 0.000 1.883 75 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 75 A C 1.908 179.504 177.584 0.020 0.000 1.186 75 A CA 1.463 53.494 52.037 -0.009 0.000 0.624 75 A CB -1.001 18.009 19.000 0.016 0.000 0.822 75 A HN 0.558 nan 8.150 nan 0.000 0.444 76 W N -0.040 121.208 121.300 -0.087 0.000 2.436 76 W HA -0.010 4.650 4.660 -0.000 0.000 0.284 76 W C 1.422 177.903 176.519 -0.064 0.000 1.225 76 W CA 1.294 58.600 57.345 -0.066 0.000 1.271 76 W CB -0.144 29.276 29.460 -0.065 0.000 1.114 76 W HN 0.231 nan 8.180 nan 0.000 0.559 77 L N 1.110 122.290 121.223 -0.073 0.000 2.201 77 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 77 L C 2.380 179.070 176.870 -0.299 0.000 1.105 77 L CA 1.605 56.298 54.840 -0.244 0.000 0.775 77 L CB -0.774 41.237 42.059 -0.080 0.000 0.913 77 L HN -0.118 nan 8.230 nan 0.000 0.440 78 K N -1.264 119.008 120.400 -0.214 0.000 2.167 78 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 78 K C 2.151 178.623 176.600 -0.214 0.000 1.052 78 K CA 1.016 57.210 56.287 -0.154 0.000 0.956 78 K CB -0.144 32.309 32.500 -0.079 0.000 0.735 78 K HN 0.288 nan 8.250 nan 0.000 0.451 79 Q N 0.732 120.344 119.800 -0.313 0.000 2.170 79 Q HA -0.075 4.265 4.340 -0.000 0.000 0.203 79 Q C 1.832 177.584 176.000 -0.413 0.000 0.976 79 Q CA 1.387 56.992 55.803 -0.330 0.000 0.858 79 Q CB -0.246 28.283 28.738 -0.348 0.000 0.907 79 Q HN 0.490 nan 8.270 nan 0.000 0.433 80 A N -1.435 120.990 122.820 -0.658 0.000 2.238 80 A HA 0.516 4.836 4.320 -0.000 0.000 0.210 80 A C 1.943 179.358 177.584 -0.282 0.000 1.179 80 A CA 0.977 52.661 52.037 -0.589 0.000 0.827 80 A CB -0.476 17.848 19.000 -1.126 0.000 0.856 80 A HN 1.423 nan 8.150 nan 0.000 0.488 81 G N -0.589 108.089 108.800 -0.204 0.000 2.179 81 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 81 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 81 G C 0.206 175.115 174.900 0.014 0.000 0.977 81 G CA 0.250 45.313 45.100 -0.060 0.000 0.641 81 G HN 0.496 nan 8.290 nan 0.000 0.533 82 I N 2.797 123.330 120.570 -0.063 0.000 2.471 82 I HA 0.324 4.494 4.170 -0.000 0.000 0.294 82 I C 1.663 177.792 176.117 0.019 0.000 1.123 82 I CA 0.240 61.543 61.300 0.004 0.000 1.336 82 I CB 0.086 38.061 38.000 -0.041 0.000 1.430 82 I HN 0.208 nan 8.210 nan 0.000 0.533 83 G N 6.130 115.002 108.800 0.119 0.000 2.464 83 G HA2 0.056 4.016 3.960 -0.000 0.000 0.231 83 G HA3 0.056 4.016 3.960 -0.000 0.000 0.231 83 G C -0.917 173.777 174.900 -0.344 0.000 1.267 83 G CA 0.046 45.193 45.100 0.077 0.000 0.863 83 G HN 0.516 nan 8.290 nan 0.000 0.559 84 F N 0.824 120.518 119.950 -0.427 0.000 2.591 84 F HA 0.670 5.197 4.527 -0.000 0.000 0.309 84 F C -0.472 175.139 175.800 -0.316 0.000 1.098 84 F CA -1.069 56.598 58.000 -0.555 0.000 0.937 84 F CB 2.442 41.279 39.000 -0.272 0.000 1.250 84 F HN 0.580 nan 8.300 nan 0.000 0.447 85 S N 3.571 118.362 115.700 -1.515 0.000 2.614 85 S HA 0.845 5.315 4.470 -0.000 0.000 0.275 85 S C -0.849 173.102 174.600 -1.081 0.000 1.161 85 S CA -0.061 57.531 58.200 -1.014 0.000 0.969 85 S CB 1.009 64.123 63.200 -0.144 0.000 1.059 85 S HN 1.152 nan 8.310 nan 0.000 0.482 86 A N 2.857 125.229 122.820 -0.746 0.000 2.336 86 A HA 0.907 5.227 4.320 -0.000 0.000 0.291 86 A C 0.290 177.818 177.584 -0.094 0.000 1.266 86 A CA -0.116 51.770 52.037 -0.251 0.000 0.891 86 A CB 0.301 19.286 19.000 -0.026 0.000 1.366 86 A HN 1.475 nan 8.150 nan 0.000 0.507 87 A N 0.977 123.796 122.820 -0.002 0.000 3.165 87 A HA 0.592 4.912 4.320 -0.000 0.000 0.331 87 A C -2.638 174.966 177.584 0.032 0.000 1.034 87 A CA -1.428 50.624 52.037 0.026 0.000 0.906 87 A CB -0.304 18.726 19.000 0.050 0.000 1.054 87 A HN 0.504 nan 8.150 nan 0.000 0.484 88 P HA 0.151 nan 4.420 nan 0.000 0.266 88 P C 1.075 178.393 177.300 0.030 0.000 1.195 88 P CA 1.726 64.848 63.100 0.036 0.000 0.768 88 P CB 0.865 32.587 31.700 0.037 0.000 0.838 89 G N 2.345 111.162 108.800 0.029 0.000 2.186 89 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.266 89 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.266 89 G C 1.125 176.033 174.900 0.014 0.000 0.982 89 G CA 0.486 45.597 45.100 0.019 0.000 0.670 89 G HN 0.750 nan 8.290 nan 0.000 0.533 90 C N -0.132 119.181 119.300 0.021 0.000 2.411 90 C HA 0.005 4.465 4.460 -0.000 0.000 0.279 90 C C 2.104 177.098 174.990 0.007 0.000 1.288 90 C CA 1.571 60.600 59.018 0.018 0.000 1.764 90 C CB -0.776 26.981 27.740 0.028 0.000 1.974 90 C HN 0.813 nan 8.230 nan 0.000 0.498 91 N N 1.120 119.825 118.700 0.008 0.000 2.204 91 N HA 0.326 5.066 4.740 -0.000 0.000 0.219 91 N C 1.185 176.688 175.510 -0.011 0.000 1.151 91 N CA 0.634 53.684 53.050 0.001 0.000 0.867 91 N CB -0.492 38.008 38.487 0.021 0.000 1.043 91 N HN 0.539 nan 8.380 nan 0.000 0.516 92 A N 1.420 124.231 122.820 -0.014 0.000 1.883 92 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 92 A C 2.084 179.637 177.584 -0.052 0.000 1.186 92 A CA 1.084 53.105 52.037 -0.028 0.000 0.624 92 A CB -0.744 18.242 19.000 -0.024 0.000 0.822 92 A HN 0.281 nan 8.150 nan 0.000 0.444 93 I N -0.339 120.191 120.570 -0.068 0.000 2.394 93 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 93 I C 2.903 178.925 176.117 -0.159 0.000 1.136 93 I CA 0.771 62.000 61.300 -0.118 0.000 1.425 93 I CB -0.232 37.691 38.000 -0.128 0.000 1.079 93 I HN 0.382 nan 8.210 nan 0.000 0.425 94 A N 0.472 123.224 122.820 -0.113 0.000 1.865 94 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 94 A C 2.396 179.950 177.584 -0.049 0.000 1.191 94 A CA 2.034 54.007 52.037 -0.107 0.000 0.623 94 A CB -1.007 17.953 19.000 -0.067 0.000 0.826 94 A HN 0.232 nan 8.150 nan 0.000 0.444 95 V N -0.280 119.617 119.914 -0.027 0.000 2.407 95 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 95 V C 2.563 178.711 176.094 0.091 0.000 1.055 95 V CA 1.824 64.136 62.300 0.019 0.000 1.049 95 V CB -0.866 30.956 31.823 -0.002 0.000 0.662 95 V HN 0.369 nan 8.190 nan 0.000 0.455 96 V N 0.415 120.336 119.914 0.012 0.000 2.287 96 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 96 V C 2.398 178.588 176.094 0.161 0.000 1.053 96 V CA 2.333 64.673 62.300 0.066 0.000 1.027 96 V CB -0.725 31.108 31.823 0.017 0.000 0.646 96 V HN 0.660 nan 8.190 nan 0.000 0.447 97 E N -1.201 118.950 120.200 -0.081 0.000 2.216 97 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 97 E C 2.036 178.801 176.600 0.275 0.000 0.988 97 E CA 1.081 57.347 56.400 -0.222 0.000 0.834 97 E CB -0.214 28.928 29.700 -0.931 0.000 0.772 97 E HN 0.796 nan 8.360 nan 0.000 0.479 98 Y N 1.617 122.022 120.300 0.175 0.000 2.181 98 Y HA -0.256 4.294 4.550 -0.000 0.000 0.288 98 Y C 2.162 178.231 175.900 0.282 0.000 1.146 98 Y CA 1.202 59.501 58.100 0.331 0.000 1.164 98 Y CB -0.105 38.483 38.460 0.214 0.000 0.982 98 Y HN -0.203 nan 8.280 nan 0.000 0.515 99 V N -0.042 120.139 119.914 0.445 0.000 2.295 99 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 99 V C 2.085 178.267 176.094 0.146 0.000 1.049 99 V CA 2.162 64.619 62.300 0.262 0.000 1.024 99 V CB -0.893 31.040 31.823 0.183 0.000 0.648 99 V HN 0.396 nan 8.190 nan 0.000 0.447 100 F N 0.124 120.210 119.950 0.226 0.000 2.186 100 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 100 F C 2.816 178.776 175.800 0.266 0.000 1.090 100 F CA 1.740 59.910 58.000 0.283 0.000 1.307 100 F CB -0.610 38.684 39.000 0.490 0.000 1.019 100 F HN 0.062 nan 8.300 nan 0.000 0.489 101 S N -0.200 115.796 115.700 0.493 0.000 2.365 101 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 101 S C 2.275 177.021 174.600 0.243 0.000 1.039 101 S CA 1.387 59.829 58.200 0.403 0.000 1.033 101 S CB -0.514 62.847 63.200 0.268 0.000 0.887 101 S HN 0.328 nan 8.310 nan 0.000 0.447 102 A N 0.837 123.688 122.820 0.053 0.000 1.929 102 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 102 A C 2.199 179.825 177.584 0.070 0.000 1.176 102 A CA 0.979 53.011 52.037 -0.008 0.000 0.628 102 A CB -0.618 18.316 19.000 -0.110 0.000 0.816 102 A HN 0.553 nan 8.150 nan 0.000 0.444 103 L N -0.423 120.854 121.223 0.090 0.000 2.046 103 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 103 L C 1.145 178.070 176.870 0.093 0.000 1.077 103 L CA 0.387 55.287 54.840 0.100 0.000 0.747 103 L CB -0.548 41.538 42.059 0.044 0.000 0.896 103 L HN 0.319 nan 8.230 nan 0.000 0.432 107 A N 0.642 123.140 122.820 -0.536 0.000 1.969 107 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 107 A C 1.985 179.184 177.584 -0.641 0.000 1.169 107 A CA 2.195 53.543 52.037 -1.148 0.000 0.635 107 A CB -0.257 18.358 19.000 -0.642 0.000 0.810 107 A HN 0.548 nan 8.150 nan 0.000 0.445 108 E N -0.333 119.673 120.200 -0.323 0.000 2.028 108 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 108 E C 2.280 178.785 176.600 -0.159 0.000 0.984 108 E CA 0.782 57.066 56.400 -0.193 0.000 0.800 108 E CB -0.272 29.365 29.700 -0.106 0.000 0.758 108 E HN 0.514 nan 8.360 nan 0.000 0.448 109 R N 0.175 120.600 120.500 -0.124 0.000 2.115 109 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 109 R C 1.137 177.397 176.300 -0.066 0.000 1.133 109 R CA 2.268 58.327 56.100 -0.068 0.000 0.935 109 R CB -0.162 30.121 30.300 -0.029 0.000 0.853 109 R HN 0.267 nan 8.270 nan 0.000 0.433 110 D N -2.020 118.319 120.400 -0.101 0.000 2.339 110 D HA 0.128 4.768 4.640 -0.000 0.000 0.217 110 D C 0.747 177.057 176.300 0.017 0.000 1.050 110 D CA 0.963 54.971 54.000 0.013 0.000 0.856 110 D CB 0.847 41.764 40.800 0.195 0.000 0.922 110 D HN 0.563 nan 8.370 nan 0.000 0.518 111 G N 1.094 109.818 108.800 -0.126 0.000 2.132 111 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.228 111 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.228 111 G C 0.078 174.982 174.900 0.007 0.000 1.000 111 G CA 0.193 45.255 45.100 -0.062 0.000 0.693 111 G HN 0.358 nan 8.290 nan 0.000 0.515 112 F N 0.148 120.099 119.950 0.002 0.000 2.523 112 F HA 0.890 5.417 4.527 -0.000 0.000 0.329 112 F C 0.266 176.067 175.800 0.001 0.000 1.061 112 F CA -1.562 56.439 58.000 0.001 0.000 0.967 112 F CB 1.370 40.371 39.000 0.002 0.000 1.218 112 F HN 0.311 nan 8.300 nan 0.000 0.480 113 S N 2.361 118.230 115.700 0.282 0.000 2.537 113 S HA 0.341 4.811 4.470 -0.000 0.000 0.275 113 S C 0.829 175.603 174.600 0.291 0.000 1.272 113 S CA -0.753 57.559 58.200 0.186 0.000 1.050 113 S CB 0.653 63.916 63.200 0.104 0.000 0.961 113 S HN 0.864 nan 8.310 nan 0.000 0.496 114 L N 3.926 125.281 121.223 0.220 0.000 2.131 114 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 114 L C 2.657 179.605 176.870 0.130 0.000 1.092 114 L CA 1.160 56.130 54.840 0.218 0.000 0.759 114 L CB -0.288 41.875 42.059 0.173 0.000 0.903 114 L HN 0.724 nan 8.230 nan 0.000 0.435 115 R N -0.360 120.199 120.500 0.098 0.000 2.316 115 R HA -0.105 4.235 4.340 -0.000 0.000 0.202 115 R C 1.100 177.426 176.300 0.043 0.000 1.029 115 R CA 0.594 56.730 56.100 0.060 0.000 1.018 115 R CB -0.087 30.240 30.300 0.046 0.000 0.888 115 R HN 0.332 nan 8.270 nan 0.000 0.471 116 D N 0.087 120.519 120.400 0.054 0.000 2.348 116 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 116 D C 0.342 176.623 176.300 -0.032 0.000 0.998 116 D CA 0.653 54.663 54.000 0.017 0.000 0.873 116 D CB 0.338 41.158 40.800 0.034 0.000 0.925 116 D HN 0.022 nan 8.370 nan 0.000 0.524 117 R N 0.204 120.683 120.500 -0.035 0.000 2.549 117 R HA 0.511 4.851 4.340 -0.000 0.000 0.267 117 R C 0.024 176.296 176.300 -0.047 0.000 1.045 117 R CA -0.240 55.810 56.100 -0.084 0.000 1.115 117 R CB 0.279 30.513 30.300 -0.110 0.000 1.121 117 R HN -0.189 nan 8.270 nan 0.000 0.543 118 T N 1.744 116.263 114.554 -0.059 0.000 2.840 118 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 118 T C 0.277 174.946 174.700 -0.051 0.000 0.991 118 T CA -0.516 61.558 62.100 -0.043 0.000 0.964 118 T CB 1.007 69.850 68.868 -0.041 0.000 0.954 118 T HN 0.318 nan 8.240 nan 0.000 0.438 119 I N 2.343 122.888 120.570 -0.042 0.000 2.377 119 I HA 0.572 4.742 4.170 -0.000 0.000 0.293 119 I C 0.762 176.847 176.117 -0.053 0.000 0.987 119 I CA -0.700 60.569 61.300 -0.051 0.000 1.185 119 I CB 1.596 39.568 38.000 -0.047 0.000 1.341 119 I HN 0.724 nan 8.210 nan 0.000 0.455 120 G N 7.171 115.925 108.800 -0.078 0.000 2.422 120 G HA2 0.681 4.641 3.960 -0.000 0.000 0.317 120 G HA3 0.681 4.641 3.960 -0.000 0.000 0.317 120 G C -0.704 174.121 174.900 -0.125 0.000 1.210 120 G CA -0.395 44.649 45.100 -0.093 0.000 0.930 120 G HN 0.491 nan 8.290 nan 0.000 0.468 121 I N 2.585 123.113 120.570 -0.071 0.000 2.330 121 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 121 I C -0.335 175.752 176.117 -0.049 0.000 1.001 121 I CA -0.811 60.473 61.300 -0.028 0.000 1.193 121 I CB 1.988 40.011 38.000 0.037 0.000 1.345 121 I HN 0.039 nan 8.210 nan 0.000 0.461 122 V N 5.687 125.513 119.914 -0.147 0.000 2.311 122 V HA 0.697 4.817 4.120 -0.000 0.000 0.275 122 V C 0.517 176.629 176.094 0.029 0.000 1.022 122 V CA -0.525 61.704 62.300 -0.118 0.000 0.830 122 V CB 0.687 32.312 31.823 -0.330 0.000 1.012 122 V HN 1.054 nan 8.190 nan 0.000 0.452 123 G N 3.839 112.685 108.800 0.075 0.000 3.251 123 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.680 123 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.680 123 G C -0.741 174.228 174.900 0.115 0.000 1.129 123 G CA -0.448 44.711 45.100 0.099 0.000 0.994 123 G HN 0.930 nan 8.290 nan 0.000 0.450 124 V N 2.836 122.811 119.914 0.102 0.000 2.260 124 V HA 0.696 4.816 4.120 -0.000 0.000 0.262 124 V C 1.308 177.452 176.094 0.083 0.000 1.163 124 V CA 0.415 62.780 62.300 0.109 0.000 1.194 124 V CB 0.168 32.103 31.823 0.187 0.000 1.339 124 V HN 1.176 nan 8.190 nan 0.000 0.492 125 G N 0.924 109.758 108.800 0.057 0.000 2.945 125 G HA2 0.172 4.132 3.960 -0.000 0.000 0.156 125 G HA3 0.172 4.132 3.960 -0.000 0.000 0.156 125 G C 0.829 175.745 174.900 0.027 0.000 1.375 125 G CA -0.218 44.908 45.100 0.043 0.000 1.039 125 G HN 0.323 nan 8.290 nan 0.000 0.586 126 N N -0.592 118.122 118.700 0.022 0.000 2.060 126 N HA -0.168 4.572 4.740 -0.000 0.000 0.195 126 N C 2.275 177.774 175.510 -0.018 0.000 1.028 126 N CA 1.704 54.760 53.050 0.010 0.000 0.861 126 N CB -0.225 38.272 38.487 0.015 0.000 1.029 126 N HN 0.146 nan 8.380 nan 0.000 0.428 127 V N 0.590 120.479 119.914 -0.042 0.000 2.300 127 V HA -0.026 4.094 4.120 -0.000 0.000 0.241 127 V C 2.561 178.526 176.094 -0.216 0.000 1.034 127 V CA 1.800 64.019 62.300 -0.134 0.000 1.021 127 V CB -1.176 30.543 31.823 -0.173 0.000 0.662 127 V HN 0.291 nan 8.190 nan 0.000 0.458 128 G N 0.825 109.512 108.800 -0.189 0.000 2.513 128 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 128 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 128 G C 1.883 176.756 174.900 -0.046 0.000 1.160 128 G CA 1.787 46.813 45.100 -0.124 0.000 0.767 128 G HN 0.640 nan 8.290 nan 0.000 0.571 129 S N 0.203 115.898 115.700 -0.009 0.000 2.402 129 S HA 0.003 4.473 4.470 -0.000 0.000 0.229 129 S C 2.246 176.854 174.600 0.014 0.000 1.021 129 S CA 1.040 59.250 58.200 0.017 0.000 0.974 129 S CB -0.246 62.975 63.200 0.035 0.000 0.800 129 S HN 0.457 nan 8.310 nan 0.000 0.484 130 R N 0.140 120.639 120.500 -0.002 0.000 2.115 130 R HA 0.183 4.523 4.340 -0.000 0.000 0.226 130 R C 2.291 178.622 176.300 0.053 0.000 1.100 130 R CA 0.965 57.075 56.100 0.016 0.000 0.980 130 R CB -0.559 29.738 30.300 -0.005 0.000 0.875 130 R HN 0.367 nan 8.270 nan 0.000 0.445 131 L N 1.586 122.820 121.223 0.019 0.000 2.046 131 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 131 L C 2.425 179.356 176.870 0.103 0.000 1.077 131 L CA 1.840 56.722 54.840 0.070 0.000 0.747 131 L CB -0.600 41.417 42.059 -0.070 0.000 0.896 131 L HN 0.185 nan 8.230 nan 0.000 0.432 132 Q N -1.349 118.483 119.800 0.053 0.000 2.046 132 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 132 Q C 1.920 177.966 176.000 0.077 0.000 0.975 132 Q CA 2.315 58.150 55.803 0.054 0.000 0.836 132 Q CB -0.212 28.542 28.738 0.028 0.000 0.896 132 Q HN 0.539 nan 8.270 nan 0.000 0.428 133 T N 1.264 115.861 114.554 0.071 0.000 2.665 133 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 133 T C 1.810 176.576 174.700 0.109 0.000 1.035 133 T CA 1.845 63.989 62.100 0.073 0.000 1.151 133 T CB -0.188 68.715 68.868 0.058 0.000 0.862 133 T HN 0.385 nan 8.240 nan 0.000 0.438 134 R N 0.440 121.039 120.500 0.165 0.000 2.090 134 R HA 0.121 4.461 4.340 -0.000 0.000 0.228 134 R C 2.557 179.038 176.300 0.302 0.000 1.110 134 R CA 0.858 57.093 56.100 0.224 0.000 0.973 134 R CB -0.554 29.900 30.300 0.257 0.000 0.869 134 R HN 0.360 nan 8.270 nan 0.000 0.440 135 L N 0.826 122.241 121.223 0.321 0.000 2.042 135 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 135 L C 2.232 179.190 176.870 0.147 0.000 1.076 135 L CA 1.534 56.520 54.840 0.242 0.000 0.749 135 L CB -0.419 41.720 42.059 0.134 0.000 0.893 135 L HN 0.230 nan 8.230 nan 0.000 0.432 136 E N -0.026 120.237 120.200 0.105 0.000 2.150 136 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 136 E C 2.299 178.937 176.600 0.064 0.000 0.985 136 E CA 0.941 57.380 56.400 0.066 0.000 0.814 136 E CB -0.110 29.615 29.700 0.043 0.000 0.752 136 E HN 0.482 nan 8.360 nan 0.000 0.466 137 A N 0.835 123.702 122.820 0.078 0.000 1.978 137 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 137 A C 2.018 179.638 177.584 0.059 0.000 1.170 137 A CA 1.032 53.107 52.037 0.062 0.000 0.636 137 A CB -0.444 18.596 19.000 0.067 0.000 0.810 137 A HN 0.179 nan 8.150 nan 0.000 0.448 138 L N -1.117 120.159 121.223 0.089 0.000 2.599 138 L HA 0.144 4.484 4.340 -0.000 0.000 0.230 138 L C 1.642 178.550 176.870 0.064 0.000 1.141 138 L CA 0.462 55.353 54.840 0.085 0.000 0.877 138 L CB -0.333 41.813 42.059 0.145 0.000 1.009 138 L HN 0.579 nan 8.230 nan 0.000 0.447 139 G N 1.132 109.965 108.800 0.056 0.000 2.198 139 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 139 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 139 G C 0.202 175.128 174.900 0.043 0.000 1.025 139 G CA -0.081 45.043 45.100 0.039 0.000 0.769 139 G HN 0.323 nan 8.290 nan 0.000 0.507 140 I N 0.174 120.781 120.570 0.061 0.000 2.395 140 I HA 0.245 4.415 4.170 -0.000 0.000 0.289 140 I C 1.153 177.290 176.117 0.033 0.000 1.023 140 I CA -0.849 60.483 61.300 0.054 0.000 1.350 140 I CB 1.020 39.066 38.000 0.077 0.000 1.409 140 I HN 0.209 nan 8.210 nan 0.000 0.507 141 R N 5.066 125.576 120.500 0.016 0.000 2.421 141 R HA 0.157 4.497 4.340 -0.000 0.000 0.305 141 R C -0.265 176.032 176.300 -0.004 0.000 1.039 141 R CA 0.069 56.170 56.100 0.003 0.000 1.003 141 R CB 0.449 30.746 30.300 -0.005 0.000 0.959 141 R HN 0.777 nan 8.270 nan 0.000 0.427 142 T N 2.203 116.754 114.554 -0.006 0.000 2.887 142 T HA 0.506 4.856 4.350 -0.000 0.000 0.288 142 T C -0.406 174.281 174.700 -0.021 0.000 1.021 142 T CA -0.976 61.116 62.100 -0.013 0.000 1.000 142 T CB 1.192 70.058 68.868 -0.003 0.000 1.034 142 T HN 0.409 nan 8.240 nan 0.000 0.467 143 L N 2.814 124.022 121.223 -0.024 0.000 2.356 143 L HA 0.524 4.864 4.340 -0.000 0.000 0.277 143 L C -0.578 176.286 176.870 -0.009 0.000 0.996 143 L CA -1.058 53.769 54.840 -0.021 0.000 0.822 143 L CB 1.797 43.843 42.059 -0.022 0.000 1.256 143 L HN 0.537 nan 8.230 nan 0.000 0.413 144 L N 3.160 124.385 121.223 0.003 0.000 2.275 144 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 144 L C -0.435 176.526 176.870 0.152 0.000 1.046 144 L CA -0.329 54.548 54.840 0.063 0.000 0.805 144 L CB 1.760 43.824 42.059 0.009 0.000 1.193 144 L HN 0.623 nan 8.230 nan 0.000 0.426 145 C N 3.853 123.238 119.300 0.141 0.000 2.301 145 C HA 0.527 4.987 4.460 -0.000 0.000 0.323 145 C C -0.579 174.492 174.990 0.134 0.000 1.265 145 C CA -0.268 58.837 59.018 0.145 0.000 1.503 145 C CB 0.302 28.076 27.740 0.057 0.000 2.195 145 C HN 0.842 nan 8.230 nan 0.000 0.477 146 D N 6.580 127.026 120.400 0.076 0.000 2.584 146 D HA 0.218 4.858 4.640 -0.000 0.000 0.238 146 D C -2.021 174.070 176.300 -0.349 0.000 1.302 146 D CA -0.710 53.206 54.000 -0.140 0.000 0.884 146 D CB 1.572 42.268 40.800 -0.173 0.000 1.456 146 D HN 0.205 nan 8.370 nan 0.000 0.528 147 P HA -0.076 nan 4.420 nan 0.000 0.215 147 P C -1.584 175.556 177.300 -0.267 0.000 1.157 147 P CA 1.114 64.149 63.100 -0.108 0.000 0.874 147 P CB -0.329 31.470 31.700 0.166 0.000 0.790 148 P HA -0.131 nan 4.420 nan 0.000 0.215 148 P C 1.578 178.662 177.300 -0.361 0.000 1.157 148 P CA 1.694 64.437 63.100 -0.595 0.000 0.874 148 P CB -0.316 30.991 31.700 -0.656 0.000 0.790 149 R N -0.761 119.481 120.500 -0.430 0.000 2.073 149 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 149 R C 2.317 178.315 176.300 -0.503 0.000 1.120 149 R CA 1.328 57.172 56.100 -0.427 0.000 0.967 149 R CB -1.008 29.014 30.300 -0.464 0.000 0.862 149 R HN 0.124 nan 8.270 nan 0.000 0.436 150 A N 1.372 123.710 122.820 -0.803 0.000 1.883 150 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 150 A C 2.308 179.817 177.584 -0.125 0.000 1.186 150 A CA 1.914 53.702 52.037 -0.415 0.000 0.624 150 A CB -0.631 18.196 19.000 -0.288 0.000 0.822 150 A HN 0.407 nan 8.150 nan 0.000 0.444 151 A N -0.969 121.779 122.820 -0.120 0.000 2.119 151 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 151 A C 2.110 179.682 177.584 -0.021 0.000 1.153 151 A CA 1.163 53.186 52.037 -0.025 0.000 0.692 151 A CB -0.329 18.696 19.000 0.042 0.000 0.799 151 A HN 0.533 nan 8.150 nan 0.000 0.458 152 R N -1.485 118.983 120.500 -0.054 0.000 2.193 152 R HA 0.159 4.499 4.340 -0.000 0.000 0.213 152 R C 1.277 177.580 176.300 0.005 0.000 1.055 152 R CA 0.736 56.821 56.100 -0.024 0.000 0.995 152 R CB -0.020 30.258 30.300 -0.038 0.000 0.893 152 R HN 0.671 nan 8.270 nan 0.000 0.459 153 G N 1.121 109.932 108.800 0.019 0.000 2.134 153 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.209 153 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.209 153 G C -0.794 174.158 174.900 0.088 0.000 0.993 153 G CA -0.215 44.917 45.100 0.054 0.000 0.669 153 G HN 0.243 nan 8.290 nan 0.000 0.519 154 D N 1.163 121.631 120.400 0.112 0.000 2.472 154 D HA 0.325 4.965 4.640 -0.000 0.000 0.237 154 D C 0.928 177.381 176.300 0.254 0.000 1.141 154 D CA 0.382 54.493 54.000 0.185 0.000 0.875 154 D CB 0.563 41.503 40.800 0.233 0.000 1.192 154 D HN 0.473 nan 8.370 nan 0.000 0.450 155 E N 0.372 120.661 120.200 0.150 0.000 2.414 155 E HA 0.414 4.764 4.350 -0.000 0.000 0.263 155 E C 0.415 177.007 176.600 -0.013 0.000 1.000 155 E CA 0.076 56.520 56.400 0.073 0.000 0.914 155 E CB 0.663 30.380 29.700 0.029 0.000 0.948 155 E HN 0.570 nan 8.360 nan 0.000 0.444 156 G N 2.347 111.047 108.800 -0.166 0.000 2.350 156 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.304 156 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.304 156 G C -1.323 173.233 174.900 -0.574 0.000 1.421 156 G CA -0.901 43.876 45.100 -0.538 0.000 0.934 156 G HN 0.473 nan 8.290 nan 0.000 0.632 157 D N 0.297 120.351 120.400 -0.576 0.000 3.110 157 D HA 0.387 5.026 4.640 -0.000 0.000 0.254 157 D C -0.040 176.104 176.300 -0.260 0.000 1.283 157 D CA -0.453 53.367 54.000 -0.301 0.000 0.944 157 D CB -0.456 40.232 40.800 -0.187 0.000 1.066 157 D HN 0.179 nan 8.370 nan 0.000 0.496 158 F N 2.156 122.111 119.950 0.009 0.000 2.487 158 F HA 0.189 4.716 4.527 -0.000 0.000 0.364 158 F C 1.383 177.190 175.800 0.012 0.000 1.126 158 F CA -0.352 57.654 58.000 0.010 0.000 1.135 158 F CB 0.178 39.186 39.000 0.014 0.000 1.127 158 F HN -0.223 nan 8.300 nan 0.000 0.559 159 R N 0.755 121.349 120.500 0.156 0.000 2.577 159 R HA 0.350 4.690 4.340 -0.000 0.000 0.269 159 R C 0.394 176.758 176.300 0.106 0.000 1.084 159 R CA -0.576 55.584 56.100 0.099 0.000 1.163 159 R CB -0.115 30.215 30.300 0.051 0.000 1.100 159 R HN 0.581 nan 8.270 nan 0.000 0.547 160 T N -1.569 113.031 114.554 0.077 0.000 2.868 160 T HA 0.078 4.428 4.350 -0.000 0.000 0.292 160 T C 1.435 176.170 174.700 0.059 0.000 1.028 160 T CA -0.819 61.323 62.100 0.070 0.000 1.059 160 T CB 0.676 69.578 68.868 0.056 0.000 0.991 160 T HN 0.361 nan 8.240 nan 0.000 0.531 161 L N 0.917 122.179 121.223 0.064 0.000 1.990 161 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 161 L C 2.112 179.009 176.870 0.044 0.000 1.072 161 L CA 2.009 56.884 54.840 0.058 0.000 0.755 161 L CB -1.382 40.729 42.059 0.087 0.000 0.889 161 L HN 0.795 nan 8.230 nan 0.000 0.432 162 D N -0.240 120.187 120.400 0.045 0.000 2.133 162 D HA -0.235 4.405 4.640 -0.000 0.000 0.192 162 D C 2.124 178.438 176.300 0.024 0.000 1.001 162 D CA 1.628 55.649 54.000 0.034 0.000 0.844 162 D CB -0.022 40.797 40.800 0.032 0.000 0.944 162 D HN 0.558 nan 8.370 nan 0.000 0.447 163 E N -0.524 119.691 120.200 0.025 0.000 2.209 163 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 163 E C 2.116 178.720 176.600 0.007 0.000 0.993 163 E CA 0.337 56.747 56.400 0.017 0.000 0.819 163 E CB 0.052 29.765 29.700 0.022 0.000 0.745 163 E HN 0.192 nan 8.360 nan 0.000 0.477 164 L N -0.225 121.001 121.223 0.004 0.000 2.044 164 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 164 L C 2.282 179.141 176.870 -0.018 0.000 1.075 164 L CA 0.942 55.773 54.840 -0.016 0.000 0.747 164 L CB -0.412 41.625 42.059 -0.037 0.000 0.903 164 L HN -0.013 nan 8.230 nan 0.000 0.435 165 V N -0.891 119.022 119.914 -0.002 0.000 2.332 165 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 165 V C 2.508 178.602 176.094 -0.001 0.000 1.055 165 V CA 1.636 63.939 62.300 0.005 0.000 1.038 165 V CB -0.551 31.287 31.823 0.025 0.000 0.651 165 V HN 0.481 nan 8.190 nan 0.000 0.450 166 Q N -0.378 119.423 119.800 0.001 0.000 2.061 166 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 166 Q C 2.179 178.173 176.000 -0.010 0.000 0.984 166 Q CA 2.131 57.933 55.803 -0.002 0.000 0.846 166 Q CB -0.068 28.671 28.738 0.002 0.000 0.902 166 Q HN 0.703 nan 8.270 nan 0.000 0.421 167 E N -1.087 119.104 120.200 -0.014 0.000 2.413 167 E HA 0.243 4.593 4.350 -0.000 0.000 0.203 167 E C -0.371 176.212 176.600 -0.030 0.000 0.957 167 E CA 0.014 56.403 56.400 -0.019 0.000 0.950 167 E CB 0.843 30.534 29.700 -0.016 0.000 0.957 167 E HN 0.158 nan 8.360 nan 0.000 0.497 168 A N 2.072 124.871 122.820 -0.035 0.000 2.306 168 A HA 0.242 4.562 4.320 -0.000 0.000 0.314 168 A C -0.215 177.335 177.584 -0.056 0.000 1.164 168 A CA -0.583 51.425 52.037 -0.048 0.000 0.822 168 A CB 0.464 19.430 19.000 -0.056 0.000 1.130 168 A HN 0.092 nan 8.150 nan 0.000 0.496 169 D N 0.298 120.654 120.400 -0.073 0.000 2.402 169 D HA 0.288 4.928 4.640 -0.000 0.000 0.216 169 D C -0.477 175.763 176.300 -0.100 0.000 1.128 169 D CA -0.016 53.930 54.000 -0.091 0.000 0.833 169 D CB 0.244 40.971 40.800 -0.122 0.000 0.971 169 D HN 0.112 nan 8.370 nan 0.000 0.503 170 V N 0.894 120.758 119.914 -0.084 0.000 2.610 170 V HA 0.340 4.460 4.120 -0.000 0.000 0.298 170 V C -1.494 174.549 176.094 -0.085 0.000 1.067 170 V CA -0.832 61.424 62.300 -0.073 0.000 0.894 170 V CB 2.111 33.892 31.823 -0.069 0.000 1.015 170 V HN 0.073 nan 8.190 nan 0.000 0.432 171 L N 4.327 125.498 121.223 -0.087 0.000 2.343 171 L HA 0.812 5.152 4.340 -0.000 0.000 0.278 171 L C -0.148 176.588 176.870 -0.224 0.000 0.996 171 L CA 0.338 55.066 54.840 -0.186 0.000 0.831 171 L CB 1.820 43.794 42.059 -0.141 0.000 1.232 171 L HN 0.742 nan 8.230 nan 0.000 0.413 172 T N 5.095 119.456 114.554 -0.321 0.000 2.812 172 T HA 0.597 4.947 4.350 -0.000 0.000 0.282 172 T C -0.965 173.440 174.700 -0.492 0.000 0.990 172 T CA -0.200 61.754 62.100 -0.243 0.000 0.960 172 T CB 0.184 69.050 68.868 -0.002 0.000 0.948 172 T HN 0.221 nan 8.240 nan 0.000 0.438 173 F N 4.365 124.049 119.950 -0.443 0.000 2.410 173 F HA 0.455 4.982 4.527 -0.000 0.000 0.349 173 F C 1.269 176.609 175.800 -0.767 0.000 1.117 173 F CA -0.595 57.159 58.000 -0.410 0.000 1.104 173 F CB 1.084 39.943 39.000 -0.235 0.000 1.122 173 F HN 0.619 nan 8.300 nan 0.000 0.483 174 H N 0.894 120.030 119.070 0.109 0.000 2.907 174 H HA 0.130 4.685 4.556 -0.000 0.000 0.233 174 H C 0.050 175.402 175.328 0.040 0.000 1.285 174 H CA -0.188 55.891 56.048 0.052 0.000 0.981 174 H CB 0.292 30.069 29.762 0.023 0.000 2.255 174 H HN 0.555 nan 8.280 nan 0.000 0.601 175 T N -0.312 114.305 114.554 0.106 0.000 2.881 175 T HA 0.440 4.790 4.350 -0.000 0.000 0.278 175 T C -2.227 172.447 174.700 -0.044 0.000 0.982 175 T CA -1.690 60.437 62.100 0.046 0.000 0.989 175 T CB 2.358 71.266 68.868 0.067 0.000 1.058 175 T HN -0.007 nan 8.240 nan 0.000 0.529 176 P HA 0.356 nan 4.420 nan 0.000 0.279 176 P C -0.919 176.146 177.300 -0.392 0.000 1.276 176 P CA -0.875 62.049 63.100 -0.292 0.000 0.801 176 P CB 0.473 31.908 31.700 -0.442 0.000 1.127 177 L N 1.364 122.384 121.223 -0.338 0.000 2.261 177 L HA 0.313 4.653 4.340 -0.000 0.000 0.289 177 L C -1.204 175.494 176.870 -0.287 0.000 1.059 177 L CA -0.333 54.364 54.840 -0.238 0.000 0.816 177 L CB -1.004 40.994 42.059 -0.101 0.000 1.191 177 L HN 0.110 nan 8.230 nan 0.000 0.431 178 Y N 4.571 124.893 120.300 0.037 0.000 2.328 178 Y HA 0.387 4.937 4.550 0.000 0.000 0.337 178 Y C 1.086 176.996 175.900 0.017 0.000 0.966 178 Y CA -0.920 57.203 58.100 0.039 0.000 1.136 178 Y CB 1.529 40.033 38.460 0.073 0.000 1.170 178 Y HN 0.600 nan 8.280 nan 0.000 0.470 179 K N 1.054 121.554 120.400 0.167 0.000 2.025 179 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 179 K C -0.183 176.448 176.600 0.051 0.000 1.049 179 K CA 1.885 58.211 56.287 0.066 0.000 0.933 179 K CB 0.125 32.647 32.500 0.036 0.000 0.714 179 K HN 0.787 nan 8.250 nan 0.000 0.438 180 D N -2.265 118.170 120.400 0.059 0.000 3.225 180 D HA 0.483 5.123 4.640 -0.000 0.000 0.294 180 D C 0.258 176.549 176.300 -0.016 0.000 1.306 180 D CA -0.189 53.819 54.000 0.013 0.000 1.019 180 D CB -0.017 40.777 40.800 -0.010 0.000 1.344 180 D HN 0.129 nan 8.370 nan 0.000 0.615 181 G N -0.551 108.212 108.800 -0.063 0.000 2.782 181 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.228 181 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.228 181 G C -1.698 173.085 174.900 -0.195 0.000 1.372 181 G CA -0.226 44.796 45.100 -0.129 0.000 0.862 181 G HN 0.612 nan 8.290 nan 0.000 0.547 182 P HA -0.040 nan 4.420 nan 0.000 0.222 182 P C 0.489 177.451 177.300 -0.564 0.000 1.147 182 P CA 1.622 64.392 63.100 -0.550 0.000 0.790 182 P CB -0.041 31.130 31.700 -0.882 0.000 0.780 183 Y N -0.203 120.070 120.300 -0.045 0.000 2.751 183 Y HA 0.329 4.879 4.550 -0.000 0.000 0.289 183 Y C 0.965 176.940 175.900 0.125 0.000 1.110 183 Y CA -1.481 56.631 58.100 0.020 0.000 1.251 183 Y CB -0.612 37.835 38.460 -0.022 0.000 1.178 183 Y HN -0.176 nan 8.280 nan 0.000 0.540 184 K N 1.415 121.905 120.400 0.150 0.000 2.466 184 K HA -0.055 4.265 4.320 -0.000 0.000 0.278 184 K C 1.163 177.868 176.600 0.175 0.000 1.048 184 K CA 1.041 57.419 56.287 0.151 0.000 1.088 184 K CB 0.482 33.020 32.500 0.063 0.000 0.884 184 K HN 0.476 nan 8.250 nan 0.000 0.478 185 T N 1.595 116.258 114.554 0.183 0.000 2.971 185 T HA 0.041 4.391 4.350 -0.000 0.000 0.252 185 T C 0.508 175.239 174.700 0.052 0.000 1.022 185 T CA -0.487 61.685 62.100 0.120 0.000 0.980 185 T CB 0.075 69.000 68.868 0.095 0.000 1.044 185 T HN 0.421 nan 8.240 nan 0.000 0.501 186 L N 4.037 125.286 121.223 0.044 0.000 2.584 186 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 186 L C 0.285 177.200 176.870 0.074 0.000 1.195 186 L CA 0.718 55.560 54.840 0.004 0.000 0.920 186 L CB -1.289 40.727 42.059 -0.071 0.000 1.173 186 L HN 0.586 nan 8.230 nan 0.000 0.489 187 H N 2.720 121.744 119.070 -0.076 0.000 2.839 187 H HA -0.216 4.340 4.556 -0.000 0.000 0.298 187 H C 1.064 176.343 175.328 -0.083 0.000 1.224 187 H CA 0.384 56.379 56.048 -0.087 0.000 1.144 187 H CB -0.664 29.068 29.762 -0.049 0.000 1.372 187 H HN 0.657 nan 8.280 nan 0.000 0.408 188 L N 0.615 121.835 121.223 -0.005 0.000 2.046 188 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 188 L C 1.640 178.495 176.870 -0.025 0.000 1.077 188 L CA 2.335 57.181 54.840 0.010 0.000 0.747 188 L CB -0.112 41.980 42.059 0.056 0.000 0.896 188 L HN 0.417 nan 8.230 nan 0.000 0.432 189 A N 0.199 122.893 122.820 -0.210 0.000 2.774 189 A HA 0.415 4.735 4.320 -0.000 0.000 0.326 189 A C -0.457 177.032 177.584 -0.158 0.000 1.478 189 A CA -0.559 51.379 52.037 -0.164 0.000 1.099 189 A CB -0.857 17.947 19.000 -0.327 0.000 1.148 189 A HN 0.501 nan 8.150 nan 0.000 0.519 190 D N 0.215 120.564 120.400 -0.085 0.000 2.539 190 D HA 0.121 4.761 4.640 -0.000 0.000 0.280 190 D C 0.978 177.233 176.300 -0.075 0.000 1.208 190 D CA -0.527 53.409 54.000 -0.107 0.000 1.088 190 D CB 0.196 40.972 40.800 -0.040 0.000 1.149 190 D HN 0.332 nan 8.370 nan 0.000 0.596 191 E N -0.959 119.203 120.200 -0.062 0.000 2.110 191 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 191 E C 1.620 178.210 176.600 -0.018 0.000 0.988 191 E CA 1.386 57.762 56.400 -0.040 0.000 0.804 191 E CB -0.069 29.613 29.700 -0.031 0.000 0.745 191 E HN 0.507 nan 8.360 nan 0.000 0.458 192 T N 1.909 116.458 114.554 -0.008 0.000 2.652 192 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 192 T C 1.943 176.650 174.700 0.011 0.000 1.039 192 T CA 1.423 63.526 62.100 0.005 0.000 1.153 192 T CB -0.356 68.519 68.868 0.012 0.000 0.863 192 T HN 0.208 nan 8.240 nan 0.000 0.428 193 L N 0.216 121.449 121.223 0.016 0.000 2.027 193 L HA 0.026 4.366 4.340 -0.000 0.000 0.206 193 L C 2.367 179.255 176.870 0.029 0.000 1.074 193 L CA 1.299 56.159 54.840 0.034 0.000 0.745 193 L CB -0.345 41.752 42.059 0.063 0.000 0.898 193 L HN 0.223 nan 8.230 nan 0.000 0.433 194 I N 0.237 120.813 120.570 0.010 0.000 2.118 194 I HA -0.365 3.805 4.170 -0.000 0.000 0.241 194 I C 2.812 178.932 176.117 0.005 0.000 1.070 194 I CA 1.987 63.290 61.300 0.005 0.000 1.327 194 I CB -0.422 37.564 38.000 -0.022 0.000 1.034 194 I HN 0.371 nan 8.210 nan 0.000 0.405 195 R N 1.423 121.923 120.500 0.000 0.000 2.193 195 R HA -0.145 4.195 4.340 -0.000 0.000 0.229 195 R C 1.942 178.244 176.300 0.004 0.000 1.110 195 R CA 1.349 57.449 56.100 0.001 0.000 0.988 195 R CB -0.265 30.035 30.300 -0.001 0.000 0.871 195 R HN 0.324 nan 8.270 nan 0.000 0.458 196 R N 0.400 120.906 120.500 0.009 0.000 2.310 196 R HA 0.212 4.552 4.340 -0.000 0.000 0.202 196 R C 0.118 176.423 176.300 0.008 0.000 0.933 196 R CA -0.160 55.945 56.100 0.009 0.000 1.054 196 R CB 0.110 30.418 30.300 0.013 0.000 0.985 196 R HN 0.181 nan 8.270 nan 0.000 0.489 197 L N 2.441 123.670 121.223 0.010 0.000 2.410 197 L HA 0.044 4.384 4.340 -0.000 0.000 0.273 197 L C 0.453 177.319 176.870 -0.006 0.000 1.144 197 L CA 0.131 54.974 54.840 0.005 0.000 0.863 197 L CB 0.485 42.551 42.059 0.012 0.000 1.140 197 L HN 0.012 nan 8.230 nan 0.000 0.463 198 K N 4.053 124.445 120.400 -0.014 0.000 2.606 198 K HA -0.073 4.247 4.320 -0.000 0.000 0.279 198 K C -2.196 174.390 176.600 -0.024 0.000 0.961 198 K CA -0.969 55.305 56.287 -0.022 0.000 1.002 198 K CB -0.230 32.250 32.500 -0.034 0.000 0.871 198 K HN 0.307 nan 8.250 nan 0.000 0.508 199 P HA 0.001 nan 4.420 nan 0.000 0.267 199 P C 0.219 177.499 177.300 -0.034 0.000 1.209 199 P CA 0.600 63.688 63.100 -0.020 0.000 0.763 199 P CB 0.645 32.335 31.700 -0.015 0.000 0.816 200 G N 2.109 110.891 108.800 -0.029 0.000 2.137 200 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.237 200 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.237 200 G C 0.391 175.244 174.900 -0.079 0.000 1.002 200 G CA -0.105 44.968 45.100 -0.045 0.000 0.702 200 G HN 0.815 nan 8.290 nan 0.000 0.515 201 A N -0.655 122.131 122.820 -0.057 0.000 2.332 201 A HA 0.789 5.109 4.320 -0.000 0.000 0.258 201 A C 0.366 177.926 177.584 -0.040 0.000 1.087 201 A CA -0.035 51.964 52.037 -0.064 0.000 0.802 201 A CB 0.559 19.535 19.000 -0.040 0.000 1.042 201 A HN 0.824 nan 8.150 nan 0.000 0.489 202 I N 1.002 121.547 120.570 -0.042 0.000 2.404 202 I HA 0.340 4.510 4.170 -0.000 0.000 0.293 202 I C -0.851 175.272 176.117 0.009 0.000 0.992 202 I CA -0.587 60.710 61.300 -0.004 0.000 1.149 202 I CB 1.764 39.771 38.000 0.012 0.000 1.315 202 I HN 0.514 nan 8.210 nan 0.000 0.446 203 L N 8.546 129.787 121.223 0.029 0.000 2.325 203 L HA 0.639 4.979 4.340 -0.000 0.000 0.281 203 L C -1.008 175.894 176.870 0.054 0.000 1.004 203 L CA -0.164 54.713 54.840 0.061 0.000 0.823 203 L CB 1.016 43.114 42.059 0.065 0.000 1.236 203 L HN 0.392 nan 8.230 nan 0.000 0.415 204 I N 4.645 125.265 120.570 0.083 0.000 2.447 204 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 204 I C -0.704 175.447 176.117 0.058 0.000 1.023 204 I CA -0.621 60.711 61.300 0.054 0.000 1.083 204 I CB 1.863 39.897 38.000 0.058 0.000 1.245 204 I HN 0.563 nan 8.210 nan 0.000 0.434 205 N N 5.130 123.806 118.700 -0.039 0.000 2.573 205 N HA 0.550 5.290 4.740 -0.000 0.000 0.262 205 N C -0.414 174.989 175.510 -0.179 0.000 1.029 205 N CA -0.289 52.690 53.050 -0.119 0.000 0.882 205 N CB 1.812 40.171 38.487 -0.213 0.000 1.204 205 N HN 0.726 nan 8.380 nan 0.000 0.519 206 A N 2.180 124.903 122.820 -0.162 0.000 2.631 206 A HA 0.232 4.552 4.320 -0.000 0.000 0.294 206 A C 1.280 178.770 177.584 -0.156 0.000 1.156 206 A CA -0.265 51.652 52.037 -0.200 0.000 0.963 206 A CB -0.842 18.055 19.000 -0.171 0.000 1.202 206 A HN 0.771 nan 8.150 nan 0.000 0.523 207 C N -1.113 118.096 119.300 -0.152 0.000 4.225 207 C HA 0.621 5.081 4.460 -0.000 0.000 0.181 207 C C 0.529 175.441 174.990 -0.130 0.000 2.211 207 C CA -0.363 58.603 59.018 -0.088 0.000 1.241 207 C CB -0.310 27.407 27.740 -0.037 0.000 1.739 207 C HN 0.350 nan 8.230 nan 0.000 0.611 208 R N 1.087 121.513 120.500 -0.122 0.000 2.621 208 R HA 0.391 4.731 4.340 -0.000 0.000 0.292 208 R C 1.096 177.324 176.300 -0.121 0.000 0.969 208 R CA 0.237 56.275 56.100 -0.104 0.000 0.887 208 R CB 1.256 31.522 30.300 -0.056 0.000 1.180 208 R HN 0.743 nan 8.270 nan 0.000 0.450 209 G N 3.218 111.962 108.800 -0.095 0.000 2.574 209 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 209 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 209 G C -1.118 173.741 174.900 -0.069 0.000 1.173 209 G CA 0.915 45.968 45.100 -0.077 0.000 0.772 209 G HN 0.406 nan 8.290 nan 0.000 0.585 210 P HA 0.121 nan 4.420 nan 0.000 0.242 210 P C 1.721 179.031 177.300 0.016 0.000 1.197 210 P CA -0.008 63.106 63.100 0.023 0.000 0.765 210 P CB 0.245 31.956 31.700 0.019 0.000 0.936 211 V N -1.114 118.745 119.914 -0.092 0.000 2.407 211 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 211 V C 1.271 177.190 176.094 -0.291 0.000 1.055 211 V CA 1.360 63.556 62.300 -0.173 0.000 1.049 211 V CB -0.480 31.201 31.823 -0.235 0.000 0.662 211 V HN -0.059 nan 8.190 nan 0.000 0.455 212 V N 1.326 121.048 119.914 -0.320 0.000 2.407 212 V HA 0.235 4.355 4.120 -0.000 0.000 0.278 212 V C -0.033 175.900 176.094 -0.269 0.000 1.037 212 V CA -0.679 61.408 62.300 -0.355 0.000 0.900 212 V CB 1.408 33.014 31.823 -0.360 0.000 0.983 212 V HN 0.352 nan 8.190 nan 0.000 0.459 213 D N 4.453 124.617 120.400 -0.393 0.000 2.357 213 D HA 0.024 4.664 4.640 -0.000 0.000 0.265 213 D C 1.217 177.355 176.300 -0.270 0.000 1.334 213 D CA 0.577 54.238 54.000 -0.565 0.000 0.984 213 D CB 0.072 40.420 40.800 -0.754 0.000 1.077 213 D HN 0.600 nan 8.370 nan 0.000 0.514 214 N N 2.463 121.072 118.700 -0.151 0.000 2.069 214 N HA -0.243 4.497 4.740 -0.000 0.000 0.191 214 N C 1.658 177.148 175.510 -0.034 0.000 1.031 214 N CA 1.301 54.320 53.050 -0.052 0.000 0.852 214 N CB 0.056 38.566 38.487 0.039 0.000 1.018 214 N HN 0.475 nan 8.380 nan 0.000 0.423 215 A N 1.526 124.323 122.820 -0.037 0.000 1.873 215 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 215 A C 2.389 179.949 177.584 -0.039 0.000 1.193 215 A CA 2.119 54.142 52.037 -0.023 0.000 0.629 215 A CB -1.044 17.946 19.000 -0.016 0.000 0.826 215 A HN 0.391 nan 8.150 nan 0.000 0.447 216 A N -0.937 121.836 122.820 -0.078 0.000 1.933 216 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 216 A C 2.124 179.674 177.584 -0.056 0.000 1.175 216 A CA 1.762 53.757 52.037 -0.070 0.000 0.628 216 A CB -0.615 18.323 19.000 -0.103 0.000 0.814 216 A HN 0.694 nan 8.150 nan 0.000 0.444 217 L N -0.451 120.732 121.223 -0.068 0.000 1.943 217 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 217 L C 2.283 179.144 176.870 -0.015 0.000 1.074 217 L CA 2.403 57.215 54.840 -0.046 0.000 0.759 217 L CB -0.940 41.083 42.059 -0.062 0.000 0.888 217 L HN 0.370 nan 8.230 nan 0.000 0.433 218 L N 0.320 121.544 121.223 0.001 0.000 2.010 218 L HA -0.289 4.051 4.340 -0.000 0.000 0.219 218 L C 2.513 179.389 176.870 0.010 0.000 1.077 218 L CA 2.684 57.536 54.840 0.020 0.000 0.773 218 L CB -1.368 40.711 42.059 0.033 0.000 0.892 218 L HN 0.402 nan 8.230 nan 0.000 0.436 219 A N -0.728 122.092 122.820 0.001 0.000 1.927 219 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 219 A C 2.298 179.882 177.584 -0.001 0.000 1.185 219 A CA 2.088 54.124 52.037 -0.001 0.000 0.639 219 A CB -0.607 18.389 19.000 -0.006 0.000 0.820 219 A HN 0.535 nan 8.150 nan 0.000 0.451 220 R N -0.402 120.095 120.500 -0.005 0.000 2.081 220 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 220 R C 2.112 178.414 176.300 0.004 0.000 1.131 220 R CA 1.254 57.352 56.100 -0.003 0.000 0.960 220 R CB -1.182 29.113 30.300 -0.009 0.000 0.856 220 R HN 0.629 nan 8.270 nan 0.000 0.436 221 L N 1.037 122.265 121.223 0.007 0.000 2.017 221 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 221 L C 2.069 178.948 176.870 0.016 0.000 1.073 221 L CA 1.235 56.084 54.840 0.015 0.000 0.745 221 L CB -0.639 41.433 42.059 0.022 0.000 0.894 221 L HN 0.150 nan 8.230 nan 0.000 0.432 222 N N 0.600 119.309 118.700 0.015 0.000 2.094 222 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 222 N C 1.650 177.167 175.510 0.012 0.000 1.023 222 N CA 1.746 54.804 53.050 0.014 0.000 0.857 222 N CB -0.314 38.181 38.487 0.013 0.000 1.013 222 N HN 0.350 nan 8.380 nan 0.000 0.426 223 A N -0.114 122.711 122.820 0.009 0.000 2.252 223 A HA 0.342 4.662 4.320 -0.000 0.000 0.207 223 A C 1.498 179.087 177.584 0.008 0.000 1.194 223 A CA 0.933 52.974 52.037 0.007 0.000 0.809 223 A CB -0.553 18.450 19.000 0.005 0.000 0.814 223 A HN 0.393 nan 8.150 nan 0.000 0.482 224 G N -1.169 107.637 108.800 0.010 0.000 2.143 224 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.249 224 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.249 224 G C 0.188 175.094 174.900 0.011 0.000 0.981 224 G CA 0.364 45.471 45.100 0.012 0.000 0.665 224 G HN 0.848 nan 8.290 nan 0.000 0.528 225 Q N 0.828 120.633 119.800 0.009 0.000 2.283 225 Q HA 0.267 4.607 4.340 -0.000 0.000 0.301 225 Q C -1.950 174.055 176.000 0.008 0.000 1.063 225 Q CA -0.866 54.941 55.803 0.007 0.000 0.952 225 Q CB 0.472 29.212 28.738 0.004 0.000 1.166 225 Q HN 0.197 nan 8.270 nan 0.000 0.381 226 P HA 0.064 nan 4.420 nan 0.000 0.252 226 P C -1.350 175.953 177.300 0.005 0.000 1.694 226 P CA 0.212 63.317 63.100 0.008 0.000 1.163 226 P CB -0.041 31.661 31.700 0.003 0.000 1.934 227 L N 1.802 123.032 121.223 0.012 0.000 2.446 227 L HA 0.383 4.723 4.340 -0.000 0.000 0.268 227 L C -0.248 176.635 176.870 0.022 0.000 0.975 227 L CA -0.213 54.633 54.840 0.011 0.000 0.848 227 L CB 1.803 43.867 42.059 0.009 0.000 1.225 227 L HN -0.073 nan 8.230 nan 0.000 0.410 228 S N 2.537 118.254 115.700 0.027 0.000 2.601 228 S HA 0.833 5.303 4.470 -0.000 0.000 0.271 228 S C -0.753 173.866 174.600 0.032 0.000 1.305 228 S CA -0.469 57.756 58.200 0.042 0.000 1.022 228 S CB 1.401 64.641 63.200 0.067 0.000 0.940 228 S HN 0.405 nan 8.310 nan 0.000 0.525 229 V N 2.665 122.599 119.914 0.033 0.000 2.711 229 V HA 0.403 4.523 4.120 -0.000 0.000 0.304 229 V C -0.922 175.178 176.094 0.010 0.000 1.097 229 V CA -0.745 61.563 62.300 0.014 0.000 0.906 229 V CB 1.839 33.659 31.823 -0.004 0.000 1.015 229 V HN 0.607 nan 8.190 nan 0.000 0.427 230 V N 6.006 125.922 119.914 0.003 0.000 2.409 230 V HA 0.597 4.717 4.120 -0.000 0.000 0.291 230 V C -0.841 175.225 176.094 -0.047 0.000 1.020 230 V CA -0.478 61.831 62.300 0.015 0.000 0.848 230 V CB 1.631 33.493 31.823 0.065 0.000 0.990 230 V HN 0.590 nan 8.190 nan 0.000 0.430 231 L N 4.012 125.160 121.223 -0.124 0.000 2.406 231 L HA 0.517 4.857 4.340 -0.000 0.000 0.272 231 L C 0.313 177.015 176.870 -0.280 0.000 0.980 231 L CA 0.112 54.709 54.840 -0.406 0.000 0.831 231 L CB 1.654 43.109 42.059 -1.007 0.000 1.253 231 L HN 0.691 nan 8.230 nan 0.000 0.406 232 D N 1.474 121.734 120.400 -0.233 0.000 2.417 232 D HA 0.170 4.810 4.640 -0.000 0.000 0.207 232 D C -0.111 176.089 176.300 -0.167 0.000 1.075 232 D CA 0.417 54.352 54.000 -0.108 0.000 0.851 232 D CB 0.887 41.492 40.800 -0.325 0.000 0.976 232 D HN 0.196 nan 8.370 nan 0.000 0.505 233 V N -2.348 117.296 119.914 -0.451 0.000 2.876 233 V HA 0.847 4.967 4.120 -0.000 0.000 0.312 233 V C -1.598 174.223 176.094 -0.456 0.000 1.085 233 V CA -0.896 61.208 62.300 -0.328 0.000 0.945 233 V CB 1.380 32.937 31.823 -0.443 0.000 1.017 233 V HN 0.021 nan 8.190 nan 0.000 0.428 234 W N -0.126 121.140 121.300 -0.058 0.000 3.127 234 W HA 0.607 5.267 4.660 0.000 0.000 0.330 234 W C -0.221 176.259 176.519 -0.064 0.000 1.187 234 W CA -0.657 56.656 57.345 -0.054 0.000 1.198 234 W CB 1.241 30.674 29.460 -0.044 0.000 1.408 234 W HN 0.657 nan 8.180 nan 0.000 0.529 235 E N 1.135 121.434 120.200 0.165 0.000 2.480 235 E HA 0.324 4.674 4.350 -0.000 0.000 0.258 235 E C 0.889 177.534 176.600 0.076 0.000 0.984 235 E CA 1.242 57.700 56.400 0.096 0.000 0.930 235 E CB 0.346 30.097 29.700 0.086 0.000 0.936 235 E HN 0.832 nan 8.360 nan 0.000 0.466 236 G N 3.457 112.273 108.800 0.027 0.000 2.212 236 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.255 236 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.255 236 G C -0.129 174.710 174.900 -0.102 0.000 1.062 236 G CA -0.142 44.942 45.100 -0.025 0.000 0.815 236 G HN 0.595 nan 8.290 nan 0.000 0.497 237 E N 0.189 120.318 120.200 -0.119 0.000 2.413 237 E HA 0.206 4.556 4.350 -0.000 0.000 0.263 237 E C -0.796 175.646 176.600 -0.263 0.000 1.015 237 E CA -0.718 55.483 56.400 -0.332 0.000 0.916 237 E CB 1.027 30.589 29.700 -0.230 0.000 0.947 237 E HN 0.291 nan 8.360 nan 0.000 0.440 238 P HA 0.008 nan 4.420 nan 0.000 0.240 238 P C -0.469 176.512 177.300 -0.532 0.000 1.190 238 P CA 0.488 63.160 63.100 -0.713 0.000 0.781 238 P CB 0.416 31.929 31.700 -0.311 0.000 0.931 239 D N 1.900 122.126 120.400 -0.290 0.000 2.483 239 D HA 0.181 4.821 4.640 -0.000 0.000 0.220 239 D C 0.497 176.672 176.300 -0.208 0.000 1.173 239 D CA -0.092 53.785 54.000 -0.204 0.000 0.964 239 D CB 0.559 41.288 40.800 -0.117 0.000 1.046 239 D HN 0.137 nan 8.370 nan 0.000 0.517 240 L N -0.478 120.568 121.223 -0.295 0.000 2.387 240 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 240 L C 0.377 177.124 176.870 -0.204 0.000 1.059 240 L CA -0.838 53.830 54.840 -0.286 0.000 0.801 240 L CB 0.394 42.076 42.059 -0.628 0.000 1.223 240 L HN -0.084 nan 8.230 nan 0.000 0.456 241 N N 0.614 119.259 118.700 -0.092 0.000 2.416 241 N HA 0.034 4.774 4.740 -0.000 0.000 0.271 241 N C 0.772 176.247 175.510 -0.059 0.000 1.245 241 N CA 0.112 53.145 53.050 -0.030 0.000 0.940 241 N CB 1.115 39.637 38.487 0.059 0.000 1.175 241 N HN 0.642 nan 8.380 nan 0.000 0.483 242 V N 4.159 124.032 119.914 -0.069 0.000 2.453 242 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 242 V C 2.392 178.482 176.094 -0.007 0.000 1.048 242 V CA 1.856 64.115 62.300 -0.068 0.000 1.049 242 V CB -0.888 30.899 31.823 -0.059 0.000 0.672 242 V HN 0.753 nan 8.190 nan 0.000 0.457 243 A N 0.229 123.056 122.820 0.012 0.000 1.917 243 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 243 A C 2.187 179.814 177.584 0.071 0.000 1.182 243 A CA 2.278 54.336 52.037 0.035 0.000 0.633 243 A CB -0.589 18.428 19.000 0.028 0.000 0.819 243 A HN 0.451 nan 8.150 nan 0.000 0.448 244 L N -0.810 120.476 121.223 0.104 0.000 1.994 244 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 244 L C 2.269 179.302 176.870 0.271 0.000 1.071 244 L CA 2.145 57.100 54.840 0.192 0.000 0.745 244 L CB -0.717 41.510 42.059 0.280 0.000 0.892 244 L HN 0.363 nan 8.230 nan 0.000 0.431 245 L N 0.109 121.481 121.223 0.248 0.000 1.997 245 L HA -0.283 4.057 4.340 -0.000 0.000 0.216 245 L C 2.388 179.361 176.870 0.172 0.000 1.074 245 L CA 2.130 57.114 54.840 0.240 0.000 0.763 245 L CB -0.985 41.048 42.059 -0.043 0.000 0.890 245 L HN 0.472 nan 8.230 nan 0.000 0.434 246 E N -0.943 119.315 120.200 0.097 0.000 2.268 246 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 246 E C 1.986 178.633 176.600 0.079 0.000 0.995 246 E CA 0.812 57.257 56.400 0.074 0.000 0.836 246 E CB -0.198 29.529 29.700 0.045 0.000 0.763 246 E HN 0.682 nan 8.360 nan 0.000 0.491 247 A N 1.274 124.150 122.820 0.092 0.000 1.984 247 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 247 A C 1.384 179.018 177.584 0.083 0.000 1.173 247 A CA 0.121 52.204 52.037 0.077 0.000 0.673 247 A CB -0.200 18.839 19.000 0.065 0.000 0.830 247 A HN 0.147 nan 8.150 nan 0.000 0.453 248 V N -1.642 118.341 119.914 0.116 0.000 2.775 248 V HA 0.170 4.290 4.120 -0.000 0.000 0.299 248 V C 0.581 176.731 176.094 0.094 0.000 1.062 248 V CA -0.044 62.315 62.300 0.099 0.000 1.063 248 V CB 0.570 32.460 31.823 0.111 0.000 0.994 248 V HN 0.424 nan 8.190 nan 0.000 0.483 249 D N 2.055 122.498 120.400 0.071 0.000 2.097 249 D HA -0.006 4.634 4.640 -0.000 0.000 0.195 249 D C 0.470 176.812 176.300 0.070 0.000 0.989 249 D CA 1.635 55.674 54.000 0.064 0.000 0.827 249 D CB 0.226 41.060 40.800 0.057 0.000 0.966 249 D HN 0.410 nan 8.370 nan 0.000 0.456 250 I N 0.471 121.086 120.570 0.076 0.000 2.466 250 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 250 I C 0.179 176.390 176.117 0.157 0.000 1.026 250 I CA -0.409 60.946 61.300 0.092 0.000 1.078 250 I CB 1.796 39.821 38.000 0.042 0.000 1.249 250 I HN -0.189 nan 8.210 nan 0.000 0.429 251 G N 3.944 112.897 108.800 0.254 0.000 2.643 251 G HA2 0.714 4.674 3.960 -0.000 0.000 0.305 251 G HA3 0.714 4.674 3.960 -0.000 0.000 0.305 251 G C -0.733 174.443 174.900 0.459 0.000 1.387 251 G CA -0.356 45.025 45.100 0.467 0.000 0.982 251 G HN 0.619 nan 8.290 nan 0.000 0.501 252 T N -1.796 113.072 114.554 0.523 0.000 2.883 252 T HA 0.642 4.992 4.350 -0.000 0.000 0.296 252 T C 0.347 175.299 174.700 0.420 0.000 1.117 252 T CA -0.366 61.974 62.100 0.399 0.000 1.006 252 T CB 1.682 70.804 68.868 0.423 0.000 1.191 252 T HN 1.084 nan 8.240 nan 0.000 0.508 253 S N 0.418 116.203 115.700 0.140 0.000 3.700 253 S HA 0.217 4.687 4.470 -0.000 0.000 0.192 253 S C 0.353 174.892 174.600 -0.103 0.000 1.430 253 S CA -0.314 57.791 58.200 -0.158 0.000 0.999 253 S CB -1.511 61.215 63.200 -0.790 0.000 1.411 253 S HN 1.163 nan 8.310 nan 0.000 0.491 254 H N 0.622 119.744 119.070 0.088 0.000 2.557 254 H HA -0.177 4.379 4.556 -0.000 0.000 0.319 254 H C 0.202 175.281 175.328 -0.416 0.000 1.102 254 H CA 0.788 56.807 56.048 -0.049 0.000 1.126 254 H CB -1.159 28.699 29.762 0.160 0.000 1.498 254 H HN 0.822 nan 8.280 nan 0.000 0.411 255 I N -3.147 117.222 120.570 -0.334 0.000 4.081 255 I HA 0.415 4.584 4.170 -0.000 0.000 0.333 255 I C 1.886 177.713 176.117 -0.484 0.000 1.413 255 I CA 0.494 61.348 61.300 -0.745 0.000 1.110 255 I CB 0.142 37.657 38.000 -0.810 0.000 1.082 255 I HN 0.253 nan 8.210 nan 0.000 0.402 256 A N 1.623 124.202 122.820 -0.403 0.000 1.978 256 A HA 0.066 4.386 4.320 -0.000 0.000 0.220 256 A C 2.219 179.685 177.584 -0.195 0.000 1.170 256 A CA 1.659 53.406 52.037 -0.484 0.000 0.636 256 A CB -1.262 17.207 19.000 -0.884 0.000 0.810 256 A HN 0.545 nan 8.150 nan 0.000 0.448 257 G N -2.914 105.834 108.800 -0.086 0.000 2.985 257 G HA2 0.208 4.168 3.960 -0.000 0.000 0.209 257 G HA3 0.208 4.168 3.960 -0.000 0.000 0.209 257 G C 0.109 175.094 174.900 0.143 0.000 1.165 257 G CA -0.089 45.039 45.100 0.048 0.000 0.776 257 G HN 0.381 nan 8.290 nan 0.000 0.541 258 Y N 2.857 123.019 120.300 -0.231 0.000 2.767 258 Y HA 0.292 4.842 4.550 -0.000 0.000 0.354 258 Y C 1.113 176.935 175.900 -0.130 0.000 1.292 258 Y CA -1.331 56.622 58.100 -0.245 0.000 1.749 258 Y CB -0.823 37.310 38.460 -0.545 0.000 1.841 258 Y HN 0.040 nan 8.280 nan 0.000 0.454 259 T N -2.970 111.599 114.554 0.026 0.000 2.943 259 T HA 0.277 4.627 4.350 -0.000 0.000 0.284 259 T C 1.146 175.865 174.700 0.032 0.000 1.015 259 T CA -0.804 61.313 62.100 0.028 0.000 1.042 259 T CB 1.754 70.607 68.868 -0.025 0.000 1.055 259 T HN 0.196 nan 8.240 nan 0.000 0.500 260 L N 1.074 122.331 121.223 0.056 0.000 2.012 260 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 260 L C 2.568 179.468 176.870 0.050 0.000 1.073 260 L CA 1.879 56.755 54.840 0.060 0.000 0.748 260 L CB -1.194 40.910 42.059 0.076 0.000 0.891 260 L HN 0.805 nan 8.230 nan 0.000 0.431 261 E N -0.942 119.276 120.200 0.030 0.000 2.085 261 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 261 E C 2.174 178.778 176.600 0.006 0.000 0.994 261 E CA 1.227 57.635 56.400 0.013 0.000 0.801 261 E CB -0.781 28.916 29.700 -0.005 0.000 0.743 261 E HN 0.539 nan 8.360 nan 0.000 0.453 262 G N 0.739 109.535 108.800 -0.007 0.000 2.421 262 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.216 262 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.216 262 G C 1.457 176.348 174.900 -0.016 0.000 1.171 262 G CA 1.007 46.098 45.100 -0.015 0.000 0.775 262 G HN 0.177 nan 8.290 nan 0.000 0.543 263 K N 0.411 120.793 120.400 -0.030 0.000 2.097 263 K HA 0.179 4.499 4.320 -0.000 0.000 0.205 263 K C 2.889 179.503 176.600 0.023 0.000 1.050 263 K CA 0.957 57.217 56.287 -0.046 0.000 0.938 263 K CB -0.161 32.285 32.500 -0.091 0.000 0.718 263 K HN 0.267 nan 8.250 nan 0.000 0.442 264 A N 1.170 124.034 122.820 0.073 0.000 1.872 264 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 264 A C 1.963 179.591 177.584 0.074 0.000 1.187 264 A CA 1.105 53.221 52.037 0.133 0.000 0.614 264 A CB -0.366 18.718 19.000 0.141 0.000 0.826 264 A HN 0.149 nan 8.150 nan 0.000 0.442 265 R N -0.739 119.785 120.500 0.040 0.000 2.133 265 R HA -0.196 4.144 4.340 -0.000 0.000 0.247 265 R C 2.287 178.620 176.300 0.055 0.000 1.151 265 R CA 1.265 57.386 56.100 0.035 0.000 0.971 265 R CB -0.767 29.545 30.300 0.021 0.000 0.866 265 R HN 0.576 nan 8.270 nan 0.000 0.447 266 G N -0.118 108.715 108.800 0.056 0.000 2.476 266 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 266 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 266 G C 1.324 176.294 174.900 0.116 0.000 1.164 266 G CA 1.555 46.698 45.100 0.071 0.000 0.768 266 G HN 0.315 nan 8.290 nan 0.000 0.560 267 T N 0.102 114.735 114.554 0.131 0.000 2.812 267 T HA -0.060 4.290 4.350 -0.000 0.000 0.264 267 T C 2.514 177.317 174.700 0.171 0.000 1.042 267 T CA 1.558 63.776 62.100 0.197 0.000 1.140 267 T CB -0.468 68.509 68.868 0.183 0.000 0.870 267 T HN 0.256 nan 8.240 nan 0.000 0.445 268 T N 2.006 116.618 114.554 0.097 0.000 2.684 268 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 268 T C 2.164 176.944 174.700 0.134 0.000 1.036 268 T CA 1.330 63.477 62.100 0.079 0.000 1.148 268 T CB -0.269 68.612 68.868 0.022 0.000 0.863 268 T HN 0.445 nan 8.240 nan 0.000 0.436 269 Q N -0.181 119.687 119.800 0.113 0.000 2.167 269 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 269 Q C 2.406 178.490 176.000 0.139 0.000 0.970 269 Q CA 0.978 56.842 55.803 0.101 0.000 0.855 269 Q CB -0.034 28.745 28.738 0.069 0.000 0.911 269 Q HN 0.353 nan 8.270 nan 0.000 0.438 270 V N 0.104 120.143 119.914 0.210 0.000 2.488 270 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 270 V C 1.750 178.091 176.094 0.412 0.000 1.046 270 V CA 1.269 63.757 62.300 0.313 0.000 1.053 270 V CB -0.463 31.585 31.823 0.374 0.000 0.679 270 V HN 0.329 nan 8.190 nan 0.000 0.458 271 F N 1.670 121.708 119.950 0.146 0.000 2.102 271 F HA -0.186 4.341 4.527 0.000 0.000 0.298 271 F C 2.352 178.134 175.800 -0.030 0.000 1.105 271 F CA 2.158 60.046 58.000 -0.188 0.000 1.239 271 F CB -0.253 38.397 39.000 -0.583 0.000 0.991 271 F HN 0.210 nan 8.300 nan 0.000 0.474 272 E N 0.266 120.433 120.200 -0.056 0.000 2.077 272 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 272 E C 2.340 178.857 176.600 -0.137 0.000 0.989 272 E CA 1.109 57.418 56.400 -0.152 0.000 0.800 272 E CB -0.491 29.210 29.700 0.002 0.000 0.746 272 E HN 0.504 nan 8.360 nan 0.000 0.452 273 A N 0.456 123.273 122.820 -0.005 0.000 2.015 273 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 273 A C 1.938 179.502 177.584 -0.033 0.000 1.163 273 A CA 1.089 53.155 52.037 0.049 0.000 0.646 273 A CB -0.455 18.641 19.000 0.160 0.000 0.806 273 A HN 0.364 nan 8.150 nan 0.000 0.448 274 Y N 1.338 121.470 120.300 -0.280 0.000 2.314 274 Y HA -0.091 4.459 4.550 -0.000 0.000 0.294 274 Y C 2.813 178.507 175.900 -0.343 0.000 1.119 274 Y CA 1.153 58.925 58.100 -0.547 0.000 1.179 274 Y CB -0.379 37.801 38.460 -0.466 0.000 1.025 274 Y HN 0.418 nan 8.280 nan 0.000 0.541 275 S N 0.561 115.948 115.700 -0.521 0.000 2.359 275 S HA -0.270 4.200 4.470 -0.000 0.000 0.224 275 S C 2.310 176.682 174.600 -0.381 0.000 1.035 275 S CA 1.345 59.206 58.200 -0.566 0.000 1.018 275 S CB -1.302 61.470 63.200 -0.715 0.000 0.876 275 S HN 0.487 nan 8.310 nan 0.000 0.448 276 A N 1.367 124.028 122.820 -0.266 0.000 1.892 276 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 276 A C 2.029 179.530 177.584 -0.139 0.000 1.188 276 A CA 1.722 53.666 52.037 -0.156 0.000 0.631 276 A CB -1.309 17.645 19.000 -0.075 0.000 0.822 276 A HN 0.624 nan 8.150 nan 0.000 0.447 277 F N 1.266 121.027 119.950 -0.314 0.000 2.126 277 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 277 F C 1.733 177.360 175.800 -0.288 0.000 1.096 277 F CA 2.003 59.841 58.000 -0.270 0.000 1.255 277 F CB -0.124 38.663 39.000 -0.354 0.000 0.997 277 F HN 0.329 nan 8.300 nan 0.000 0.479 278 I N -1.997 118.405 120.570 -0.279 0.000 3.810 278 I HA 0.418 4.588 4.170 -0.000 0.000 0.322 278 I C 1.043 177.023 176.117 -0.228 0.000 1.288 278 I CA 0.496 61.635 61.300 -0.269 0.000 1.143 278 I CB -0.682 37.128 38.000 -0.316 0.000 1.012 278 I HN 0.231 nan 8.210 nan 0.000 0.423 279 G N 2.724 111.389 108.800 -0.225 0.000 2.291 279 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.271 279 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.271 279 G C 0.249 175.064 174.900 -0.142 0.000 1.099 279 G CA -0.255 44.746 45.100 -0.165 0.000 0.919 279 G HN 0.533 nan 8.290 nan 0.000 0.496 280 R N -0.451 119.948 120.500 -0.167 0.000 2.582 280 R HA 0.134 4.474 4.340 -0.000 0.000 0.453 280 R C 0.398 176.604 176.300 -0.157 0.000 0.969 280 R CA -0.351 55.661 56.100 -0.146 0.000 1.113 280 R CB 0.476 30.682 30.300 -0.158 0.000 1.507 280 R HN 0.504 nan 8.270 nan 0.000 0.587 281 E N 2.739 122.853 120.200 -0.143 0.000 3.471 281 E HA -0.197 4.153 4.350 -0.000 0.000 0.240 281 E C -0.562 175.977 176.600 -0.103 0.000 0.916 281 E CA 1.054 57.379 56.400 -0.125 0.000 0.943 281 E CB 0.095 29.744 29.700 -0.086 0.000 0.889 281 E HN 0.223 nan 8.360 nan 0.000 0.575 282 Q N 3.300 123.025 119.800 -0.124 0.000 2.528 282 Q HA 0.649 4.989 4.340 -0.000 0.000 0.289 282 Q C -1.208 174.783 176.000 -0.015 0.000 1.091 282 Q CA -1.183 54.584 55.803 -0.060 0.000 0.797 282 Q CB 1.423 30.125 28.738 -0.060 0.000 1.466 282 Q HN 0.529 nan 8.270 nan 0.000 0.436 283 R N 0.314 120.846 120.500 0.053 0.000 2.626 283 R HA 0.601 4.941 4.340 -0.000 0.000 0.274 283 R C -1.973 174.375 176.300 0.081 0.000 1.031 283 R CA -0.464 55.676 56.100 0.067 0.000 0.898 283 R CB 2.102 32.417 30.300 0.025 0.000 1.222 283 R HN 0.399 nan 8.270 nan 0.000 0.455 284 V N 2.193 122.150 119.914 0.072 0.000 2.555 284 V HA 0.729 4.849 4.120 -0.000 0.000 0.302 284 V C -0.144 175.930 176.094 -0.033 0.000 1.038 284 V CA -1.079 61.217 62.300 -0.007 0.000 0.887 284 V CB 1.690 33.462 31.823 -0.085 0.000 0.991 284 V HN 0.911 nan 8.190 nan 0.000 0.434 285 A N 3.752 126.539 122.820 -0.054 0.000 2.320 285 A HA 0.608 4.928 4.320 -0.000 0.000 0.287 285 A C 0.988 178.519 177.584 -0.087 0.000 1.181 285 A CA -0.448 51.556 52.037 -0.054 0.000 0.831 285 A CB 0.294 19.267 19.000 -0.045 0.000 1.102 285 A HN 0.955 nan 8.150 nan 0.000 0.513 286 L N 1.506 122.684 121.223 -0.075 0.000 2.129 286 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 286 L C 2.754 179.562 176.870 -0.103 0.000 1.087 286 L CA 1.818 56.599 54.840 -0.098 0.000 0.757 286 L CB -0.267 41.758 42.059 -0.057 0.000 0.896 286 L HN 0.980 nan 8.230 nan 0.000 0.434 287 E N -0.108 120.050 120.200 -0.069 0.000 2.152 287 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 287 E C 1.858 178.410 176.600 -0.081 0.000 0.983 287 E CA 1.786 58.151 56.400 -0.059 0.000 0.818 287 E CB -0.574 29.105 29.700 -0.036 0.000 0.758 287 E HN 0.525 nan 8.360 nan 0.000 0.467 288 T N -1.286 113.209 114.554 -0.098 0.000 3.085 288 T HA 0.093 4.443 4.350 -0.000 0.000 0.263 288 T C 1.934 176.537 174.700 -0.162 0.000 1.127 288 T CA 0.209 62.245 62.100 -0.108 0.000 1.103 288 T CB -0.087 68.723 68.868 -0.097 0.000 0.921 288 T HN 0.118 nan 8.240 nan 0.000 0.510 289 L N -0.471 120.609 121.223 -0.237 0.000 2.253 289 L HA 0.443 4.782 4.340 -0.000 0.000 0.205 289 L C 0.825 177.471 176.870 -0.373 0.000 1.078 289 L CA 0.255 54.842 54.840 -0.422 0.000 0.805 289 L CB 0.092 41.751 42.059 -0.668 0.000 0.963 289 L HN 0.268 nan 8.230 nan 0.000 0.459 290 L N 0.676 121.775 121.223 -0.207 0.000 2.379 290 L HA 0.305 4.645 4.340 -0.000 0.000 0.269 290 L C -1.870 174.998 176.870 -0.003 0.000 1.084 290 L CA -1.977 52.831 54.840 -0.053 0.000 0.802 290 L CB 0.342 42.391 42.059 -0.017 0.000 1.175 290 L HN -0.062 nan 8.230 nan 0.000 0.448 291 P HA 0.045 nan 4.420 nan 0.000 0.267 291 P C -0.610 176.697 177.300 0.011 0.000 1.200 291 P CA -0.377 62.738 63.100 0.025 0.000 0.772 291 P CB 0.569 32.289 31.700 0.034 0.000 0.855 292 A N 5.050 127.870 122.820 0.000 0.000 2.531 292 A HA 0.275 4.595 4.320 -0.000 0.000 0.236 292 A C -1.547 176.038 177.584 0.001 0.000 1.062 292 A CA -0.707 51.330 52.037 0.000 0.000 0.760 292 A CB -1.372 17.623 19.000 -0.008 0.000 0.995 292 A HN 0.490 nan 8.150 nan 0.000 0.501 293 P HA 0.189 nan 4.420 nan 0.000 0.274 293 P C 0.231 177.500 177.300 -0.052 0.000 1.237 293 P CA -0.193 62.916 63.100 0.016 0.000 0.793 293 P CB 0.717 32.463 31.700 0.076 0.000 0.977 294 E N 0.252 120.370 120.200 -0.137 0.000 2.065 294 E HA -0.143 4.207 4.350 -0.000 0.000 0.201 294 E C -0.043 176.244 176.600 -0.521 0.000 1.016 294 E CA 1.683 57.834 56.400 -0.415 0.000 0.818 294 E CB -0.383 28.917 29.700 -0.666 0.000 0.749 294 E HN 0.435 nan 8.360 nan 0.000 0.453 295 F N -0.860 119.137 119.950 0.078 0.000 2.347 295 F HA 0.433 4.960 4.527 0.000 0.000 0.366 295 F C 1.077 176.937 175.800 0.101 0.000 1.107 295 F CA -0.582 57.469 58.000 0.085 0.000 1.058 295 F CB 1.830 40.886 39.000 0.092 0.000 1.236 295 F HN -0.057 nan 8.300 nan 0.000 0.456 296 G N 2.828 111.768 108.800 0.232 0.000 2.709 296 G HA2 0.204 4.164 3.960 -0.000 0.000 0.208 296 G HA3 0.204 4.164 3.960 -0.000 0.000 0.208 296 G C 0.376 175.411 174.900 0.224 0.000 1.129 296 G CA -0.111 45.100 45.100 0.185 0.000 0.793 296 G HN 0.435 nan 8.290 nan 0.000 0.524 297 R N -0.821 119.814 120.500 0.225 0.000 2.698 297 R HA 0.751 5.091 4.340 -0.000 0.000 0.275 297 R C -1.772 174.629 176.300 0.170 0.000 1.001 297 R CA -0.604 55.639 56.100 0.239 0.000 0.896 297 R CB 2.611 33.060 30.300 0.248 0.000 1.218 297 R HN 0.136 nan 8.270 nan 0.000 0.462 298 I N 0.600 121.238 120.570 0.113 0.000 2.841 298 I HA 0.359 4.529 4.170 -0.000 0.000 0.298 298 I C -1.034 175.079 176.117 -0.007 0.000 1.304 298 I CA -0.445 60.881 61.300 0.043 0.000 1.019 298 I CB 2.863 40.869 38.000 0.010 0.000 1.282 298 I HN 0.821 nan 8.210 nan 0.000 0.432 299 T N 4.384 118.930 114.554 -0.014 0.000 2.829 299 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 299 T C -0.855 173.821 174.700 -0.040 0.000 0.990 299 T CA -0.625 61.456 62.100 -0.031 0.000 1.028 299 T CB 1.629 70.489 68.868 -0.012 0.000 0.951 299 T HN 0.385 nan 8.240 nan 0.000 0.460 300 L N 2.952 124.145 121.223 -0.050 0.000 2.325 300 L HA 0.548 4.888 4.340 -0.000 0.000 0.281 300 L C -0.906 175.976 176.870 0.019 0.000 1.004 300 L CA -0.740 54.070 54.840 -0.049 0.000 0.823 300 L CB 1.259 43.248 42.059 -0.118 0.000 1.236 300 L HN 0.972 nan 8.230 nan 0.000 0.415 301 H N 4.805 123.835 119.070 -0.067 0.000 2.488 301 H HA 0.737 5.293 4.556 -0.000 0.000 0.322 301 H C 0.264 175.559 175.328 -0.055 0.000 1.078 301 H CA 0.488 56.506 56.048 -0.050 0.000 1.260 301 H CB 0.937 30.674 29.762 -0.041 0.000 1.425 301 H HN 1.039 nan 8.280 nan 0.000 0.471 302 G N 4.074 112.625 108.800 -0.415 0.000 2.698 302 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.225 302 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.225 302 G C -2.696 172.079 174.900 -0.207 0.000 1.345 302 G CA -0.668 44.199 45.100 -0.388 0.000 0.871 302 G HN 0.728 nan 8.290 nan 0.000 0.540 303 P HA 0.542 nan 4.420 nan 0.000 0.276 303 P C -0.396 176.819 177.300 -0.141 0.000 1.261 303 P CA -0.748 62.267 63.100 -0.141 0.000 0.800 303 P CB 0.695 32.324 31.700 -0.120 0.000 1.066 304 L N 2.315 123.458 121.223 -0.134 0.000 2.259 304 L HA 0.332 4.672 4.340 -0.000 0.000 0.288 304 L C -0.224 176.577 176.870 -0.115 0.000 1.051 304 L CA -0.095 54.658 54.840 -0.144 0.000 0.824 304 L CB -0.747 41.216 42.059 -0.161 0.000 1.206 304 L HN 0.341 nan 8.230 nan 0.000 0.429 305 D N 1.747 122.080 120.400 -0.112 0.000 2.442 305 D HA 0.130 4.770 4.640 -0.000 0.000 0.254 305 D C 0.553 176.796 176.300 -0.095 0.000 1.069 305 D CA -0.579 53.369 54.000 -0.088 0.000 1.017 305 D CB 0.675 41.430 40.800 -0.076 0.000 1.172 305 D HN 0.525 nan 8.370 nan 0.000 0.561 306 Q N -0.484 119.273 119.800 -0.071 0.000 2.030 306 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 306 Q C -0.897 175.041 176.000 -0.103 0.000 0.986 306 Q CA 1.905 57.665 55.803 -0.073 0.000 0.843 306 Q CB -1.024 27.688 28.738 -0.044 0.000 0.904 306 Q HN 0.370 nan 8.270 nan 0.000 0.420 307 P HA -0.101 nan 4.420 nan 0.000 0.218 307 P C 0.935 178.158 177.300 -0.128 0.000 1.148 307 P CA 1.524 64.559 63.100 -0.109 0.000 0.822 307 P CB -0.160 31.488 31.700 -0.087 0.000 0.784 308 T N 0.034 114.507 114.554 -0.135 0.000 2.777 308 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 308 T C 1.643 176.214 174.700 -0.216 0.000 1.040 308 T CA 0.888 62.891 62.100 -0.162 0.000 1.141 308 T CB -0.834 67.936 68.868 -0.162 0.000 0.868 308 T HN 0.027 nan 8.240 nan 0.000 0.444 309 L N 1.620 122.709 121.223 -0.222 0.000 2.093 309 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 309 L C 2.270 178.979 176.870 -0.268 0.000 1.085 309 L CA 1.817 56.487 54.840 -0.283 0.000 0.755 309 L CB -0.627 41.299 42.059 -0.222 0.000 0.904 309 L HN 0.064 nan 8.230 nan 0.000 0.435 310 K N -0.338 119.925 120.400 -0.228 0.000 2.009 310 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 310 K C 2.291 178.720 176.600 -0.284 0.000 1.049 310 K CA 1.922 58.025 56.287 -0.308 0.000 0.929 310 K CB -0.162 32.174 32.500 -0.273 0.000 0.714 310 K HN 0.300 nan 8.250 nan 0.000 0.440 311 R N 0.506 120.893 120.500 -0.188 0.000 2.096 311 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 311 R C 2.496 178.725 176.300 -0.118 0.000 1.139 311 R CA 1.873 57.899 56.100 -0.124 0.000 0.952 311 R CB -0.447 29.782 30.300 -0.118 0.000 0.854 311 R HN 0.250 nan 8.270 nan 0.000 0.436 312 L N -0.189 120.915 121.223 -0.199 0.000 1.994 312 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 312 L C 2.703 179.549 176.870 -0.040 0.000 1.071 312 L CA 1.391 56.107 54.840 -0.207 0.000 0.745 312 L CB -0.640 41.090 42.059 -0.548 0.000 0.892 312 L HN 0.297 nan 8.230 nan 0.000 0.431 313 A N -0.749 122.008 122.820 -0.105 0.000 1.883 313 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 313 A C 2.018 179.792 177.584 0.316 0.000 1.186 313 A CA 1.853 53.911 52.037 0.035 0.000 0.624 313 A CB -1.085 17.920 19.000 0.007 0.000 0.822 313 A HN 0.533 nan 8.150 nan 0.000 0.444 314 H N -1.698 117.431 119.070 0.100 0.000 2.495 314 H HA -0.009 4.547 4.556 0.000 0.000 0.287 314 H C 1.942 177.316 175.328 0.077 0.000 1.033 314 H CA 0.651 56.745 56.048 0.075 0.000 1.307 314 H CB 0.092 29.857 29.762 0.006 0.000 1.401 314 H HN 0.436 nan 8.280 nan 0.000 0.555 315 L N 0.670 121.996 121.223 0.171 0.000 2.131 315 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 315 L C 1.830 178.831 176.870 0.218 0.000 1.092 315 L CA 1.187 56.083 54.840 0.093 0.000 0.759 315 L CB -0.302 41.745 42.059 -0.020 0.000 0.903 315 L HN 0.025 nan 8.230 nan 0.000 0.435 316 V N -1.640 118.466 119.914 0.321 0.000 2.374 316 V HA -0.041 4.079 4.120 -0.000 0.000 0.241 316 V C 0.102 176.484 176.094 0.480 0.000 1.034 316 V CA 0.908 63.457 62.300 0.415 0.000 1.037 316 V CB -0.277 31.858 31.823 0.519 0.000 0.682 316 V HN 0.452 nan 8.190 nan 0.000 0.463 317 Y N 0.885 121.391 120.300 0.344 0.000 2.307 317 Y HA 0.496 5.046 4.550 -0.000 0.000 0.323 317 Y C -1.388 174.652 175.900 0.232 0.000 1.100 317 Y CA -1.924 56.339 58.100 0.273 0.000 1.140 317 Y CB 1.101 39.726 38.460 0.275 0.000 1.159 317 Y HN 0.163 nan 8.280 nan 0.000 0.436 318 D N 4.835 124.980 120.400 -0.425 0.000 2.329 318 D HA 0.138 4.778 4.640 -0.000 0.000 0.232 318 D C 0.607 176.377 176.300 -0.885 0.000 1.088 318 D CA 0.020 53.583 54.000 -0.728 0.000 0.835 318 D CB 2.277 42.723 40.800 -0.590 0.000 1.078 318 D HN 0.531 nan 8.370 nan 0.000 0.495 319 V N 5.614 125.020 119.914 -0.848 0.000 2.594 319 V HA -0.189 3.931 4.120 -0.000 0.000 0.253 319 V C 2.120 178.047 176.094 -0.278 0.000 1.069 319 V CA 1.663 63.595 62.300 -0.614 0.000 1.082 319 V CB -0.289 31.243 31.823 -0.486 0.000 0.680 319 V HN 0.538 nan 8.190 nan 0.000 0.469 320 R N 0.325 120.662 120.500 -0.271 0.000 2.200 320 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 320 R C 2.247 178.497 176.300 -0.084 0.000 1.127 320 R CA 1.664 57.681 56.100 -0.139 0.000 0.989 320 R CB -0.470 29.746 30.300 -0.139 0.000 0.869 320 R HN 0.691 nan 8.270 nan 0.000 0.459 321 R N 0.487 120.922 120.500 -0.109 0.000 2.280 321 R HA -0.058 4.282 4.340 -0.000 0.000 0.207 321 R C 0.531 176.861 176.300 0.051 0.000 1.043 321 R CA 1.623 57.708 56.100 -0.024 0.000 1.006 321 R CB 0.139 30.431 30.300 -0.013 0.000 0.885 321 R HN 0.104 nan 8.270 nan 0.000 0.467 322 D N -0.119 120.342 120.400 0.101 0.000 2.423 322 D HA -0.052 4.588 4.640 -0.000 0.000 0.212 322 D C 0.766 177.152 176.300 0.143 0.000 1.060 322 D CA 0.669 54.780 54.000 0.185 0.000 0.872 322 D CB 0.054 41.076 40.800 0.369 0.000 1.012 322 D HN 0.343 nan 8.370 nan 0.000 0.503 323 D N 1.066 121.530 120.400 0.107 0.000 2.117 323 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 323 D C 2.043 178.388 176.300 0.076 0.000 0.982 323 D CA 1.295 55.358 54.000 0.105 0.000 0.828 323 D CB 0.277 41.119 40.800 0.070 0.000 0.967 323 D HN 0.042 nan 8.370 nan 0.000 0.464 324 A N 0.664 123.512 122.820 0.046 0.000 1.873 324 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 324 A C -0.104 177.500 177.584 0.033 0.000 1.186 324 A CA 1.210 53.266 52.037 0.032 0.000 0.616 324 A CB -1.561 17.448 19.000 0.015 0.000 0.823 324 A HN 0.302 nan 8.150 nan 0.000 0.442 325 P HA -0.087 nan 4.420 nan 0.000 0.217 325 P C 1.591 178.907 177.300 0.026 0.000 1.151 325 P CA 0.546 63.662 63.100 0.027 0.000 0.828 325 P CB -0.091 31.624 31.700 0.025 0.000 0.788 326 L N 0.147 121.394 121.223 0.040 0.000 2.079 326 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 326 L C 2.228 179.113 176.870 0.026 0.000 1.081 326 L CA 1.832 56.691 54.840 0.033 0.000 0.752 326 L CB -0.870 41.229 42.059 0.067 0.000 0.896 326 L HN -0.180 nan 8.230 nan 0.000 0.433 327 R N -0.615 119.908 120.500 0.038 0.000 2.120 327 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 327 R C 2.315 178.624 176.300 0.015 0.000 1.123 327 R CA 1.362 57.479 56.100 0.029 0.000 0.975 327 R CB -0.315 30.009 30.300 0.040 0.000 0.866 327 R HN 0.392 nan 8.270 nan 0.000 0.446 328 K N 0.975 121.385 120.400 0.015 0.000 2.103 328 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 328 K C 1.374 177.978 176.600 0.007 0.000 1.052 328 K CA 1.509 57.802 56.287 0.011 0.000 0.945 328 K CB 0.392 32.899 32.500 0.012 0.000 0.722 328 K HN 0.206 nan 8.250 nan 0.000 0.443 329 V N -3.930 115.988 119.914 0.007 0.000 3.166 329 V HA 0.408 4.528 4.120 -0.000 0.000 0.332 329 V C 1.089 177.187 176.094 0.006 0.000 1.434 329 V CA 0.289 62.594 62.300 0.008 0.000 1.121 329 V CB 0.368 32.199 31.823 0.013 0.000 1.062 329 V HN 0.109 nan 8.190 nan 0.000 0.489 330 A N 1.408 124.223 122.820 -0.008 0.000 2.015 330 A HA 0.243 4.563 4.320 -0.000 0.000 0.219 330 A C 1.964 179.520 177.584 -0.047 0.000 1.163 330 A CA 1.652 53.670 52.037 -0.031 0.000 0.646 330 A CB -0.643 18.309 19.000 -0.080 0.000 0.806 330 A HN 0.978 nan 8.150 nan 0.000 0.448 331 G N -0.768 108.010 108.800 -0.037 0.000 3.448 331 G HA2 0.439 4.399 3.960 -0.000 0.000 0.261 331 G HA3 0.439 4.399 3.960 -0.000 0.000 0.261 331 G C 0.038 174.927 174.900 -0.019 0.000 1.173 331 G CA -0.225 44.852 45.100 -0.037 0.000 0.835 331 G HN 0.351 nan 8.290 nan 0.000 0.534 332 I N 1.900 122.468 120.570 -0.005 0.000 2.330 332 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 332 I C -2.204 173.922 176.117 0.015 0.000 1.025 332 I CA -2.272 59.031 61.300 0.004 0.000 1.197 332 I CB 1.941 39.946 38.000 0.009 0.000 1.358 332 I HN -0.131 nan 8.210 nan 0.000 0.467 333 P HA 0.023 nan 4.420 nan 0.000 0.264 333 P C 1.022 178.339 177.300 0.029 0.000 1.179 333 P CA 0.822 63.928 63.100 0.010 0.000 0.763 333 P CB 0.656 32.356 31.700 -0.000 0.000 0.806 334 G N 2.350 111.178 108.800 0.047 0.000 2.498 334 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.229 334 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.229 334 G C 1.257 176.206 174.900 0.082 0.000 1.156 334 G CA 0.149 45.284 45.100 0.059 0.000 0.680 334 G HN 0.483 nan 8.290 nan 0.000 0.512 335 E N 0.120 120.363 120.200 0.073 0.000 2.118 335 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 335 E C 1.980 178.636 176.600 0.093 0.000 0.992 335 E CA 1.399 57.839 56.400 0.066 0.000 0.804 335 E CB -0.349 29.378 29.700 0.046 0.000 0.741 335 E HN 0.702 nan 8.360 nan 0.000 0.458 336 F N 2.358 122.297 119.950 -0.018 0.000 2.102 336 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 336 F C 1.657 177.462 175.800 0.007 0.000 1.105 336 F CA 1.606 59.595 58.000 -0.018 0.000 1.239 336 F CB 0.133 39.102 39.000 -0.052 0.000 0.991 336 F HN -0.111 nan 8.300 nan 0.000 0.474 337 D N 0.269 120.865 120.400 0.326 0.000 2.310 337 D HA -0.112 4.528 4.640 -0.000 0.000 0.212 337 D C 1.972 178.313 176.300 0.068 0.000 0.965 337 D CA 0.842 54.958 54.000 0.192 0.000 0.879 337 D CB -0.185 40.726 40.800 0.185 0.000 0.921 337 D HN 0.411 nan 8.370 nan 0.000 0.510 338 K N 0.091 120.520 120.400 0.049 0.000 2.167 338 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 338 K C 2.197 178.811 176.600 0.023 0.000 1.052 338 K CA 0.229 56.537 56.287 0.035 0.000 0.956 338 K CB 0.112 32.632 32.500 0.033 0.000 0.735 338 K HN 0.090 nan 8.250 nan 0.000 0.451 339 L N 0.689 121.896 121.223 -0.026 0.000 2.083 339 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 339 L C 2.371 179.274 176.870 0.054 0.000 1.083 339 L CA 1.364 56.196 54.840 -0.014 0.000 0.752 339 L CB -0.362 41.631 42.059 -0.110 0.000 0.899 339 L HN 0.160 nan 8.230 nan 0.000 0.433 340 R N -0.027 120.451 120.500 -0.036 0.000 2.066 340 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 340 R C 2.320 178.751 176.300 0.218 0.000 1.131 340 R CA 1.182 57.305 56.100 0.038 0.000 0.955 340 R CB -0.330 29.952 30.300 -0.030 0.000 0.851 340 R HN 0.280 nan 8.270 nan 0.000 0.432 341 K N 0.846 121.327 120.400 0.135 0.000 2.057 341 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 341 K C 0.914 177.589 176.600 0.125 0.000 1.050 341 K CA 1.231 57.589 56.287 0.117 0.000 0.935 341 K CB 0.106 32.648 32.500 0.071 0.000 0.715 341 K HN 0.097 nan 8.250 nan 0.000 0.439 342 N N 0.480 119.250 118.700 0.117 0.000 2.313 342 N HA -0.061 4.679 4.740 -0.000 0.000 0.207 342 N C -0.616 174.967 175.510 0.121 0.000 1.141 342 N CA -0.042 53.063 53.050 0.092 0.000 0.830 342 N CB -0.116 38.401 38.487 0.051 0.000 1.008 342 N HN 0.169 nan 8.380 nan 0.000 0.481 343 Y N 1.611 121.956 120.300 0.074 0.000 2.805 343 Y HA -0.072 4.478 4.550 0.000 0.000 0.331 343 Y C 0.615 176.562 175.900 0.078 0.000 1.241 343 Y CA -0.081 58.077 58.100 0.098 0.000 1.546 343 Y CB 0.278 38.861 38.460 0.205 0.000 1.248 343 Y HN 0.080 nan 8.280 nan 0.000 0.559 344 L N 5.416 126.390 121.223 -0.416 0.000 2.439 344 L HA 0.228 4.568 4.340 -0.000 0.000 0.261 344 L C 0.092 176.850 176.870 -0.188 0.000 1.153 344 L CA -0.512 54.181 54.840 -0.245 0.000 0.808 344 L CB 0.738 42.662 42.059 -0.225 0.000 1.126 344 L HN 0.722 nan 8.230 nan 0.000 0.460 345 E N 3.826 124.004 120.200 -0.036 0.000 2.606 345 E HA -0.057 4.293 4.350 -0.000 0.000 0.248 345 E C -0.640 175.997 176.600 0.061 0.000 1.005 345 E CA 0.153 56.577 56.400 0.040 0.000 0.946 345 E CB 0.340 30.060 29.700 0.033 0.000 0.928 345 E HN 0.577 nan 8.360 nan 0.000 0.494 346 R N 4.155 124.735 120.500 0.134 0.000 2.534 346 R HA 0.375 4.715 4.340 -0.000 0.000 0.301 346 R C -0.801 175.560 176.300 0.102 0.000 0.961 346 R CA -0.860 55.324 56.100 0.140 0.000 0.871 346 R CB 0.980 31.361 30.300 0.137 0.000 1.170 346 R HN 0.405 nan 8.270 nan 0.000 0.446 347 R N 2.268 122.838 120.500 0.117 0.000 2.691 347 R HA 0.339 4.679 4.340 -0.000 0.000 0.259 347 R C -0.460 175.881 176.300 0.069 0.000 1.048 347 R CA -0.795 55.362 56.100 0.096 0.000 1.086 347 R CB 0.906 31.283 30.300 0.127 0.000 1.166 347 R HN 0.729 nan 8.270 nan 0.000 0.526 348 E N 0.170 120.386 120.200 0.027 0.000 2.283 348 E HA 0.119 4.469 4.350 -0.000 0.000 0.267 348 E C 0.403 177.030 176.600 0.045 0.000 1.045 348 E CA -0.546 55.819 56.400 -0.058 0.000 0.884 348 E CB 0.696 30.333 29.700 -0.104 0.000 1.106 348 E HN 0.392 nan 8.360 nan 0.000 0.408 349 W N 0.763 121.927 121.300 -0.227 0.000 2.341 349 W HA -0.179 4.481 4.660 -0.000 0.000 0.283 349 W C 2.166 178.506 176.519 -0.298 0.000 1.215 349 W CA 1.402 58.439 57.345 -0.514 0.000 1.211 349 W CB -1.299 27.396 29.460 -1.274 0.000 1.131 349 W HN 0.506 nan 8.180 nan 0.000 0.552 350 S N -0.236 115.494 115.700 0.050 0.000 2.555 350 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 350 S C 1.723 176.397 174.600 0.125 0.000 0.978 350 S CA 1.010 59.264 58.200 0.090 0.000 0.934 350 S CB -0.777 62.456 63.200 0.056 0.000 0.766 350 S HN 0.211 nan 8.310 nan 0.000 0.533 351 S N 0.312 116.088 115.700 0.127 0.000 2.603 351 S HA 0.233 4.703 4.470 -0.000 0.000 0.220 351 S C 0.209 174.921 174.600 0.188 0.000 0.967 351 S CA -0.462 57.819 58.200 0.134 0.000 0.920 351 S CB -0.470 62.803 63.200 0.122 0.000 0.773 351 S HN 0.453 nan 8.310 nan 0.000 0.529 352 L N 1.819 123.187 121.223 0.242 0.000 2.319 352 L HA 0.534 4.874 4.340 -0.000 0.000 0.281 352 L C -1.163 175.903 176.870 0.326 0.000 1.005 352 L CA -1.241 53.774 54.840 0.293 0.000 0.828 352 L CB 1.175 43.440 42.059 0.344 0.000 1.227 352 L HN 0.280 nan 8.230 nan 0.000 0.415 353 Y N 5.485 125.871 120.300 0.144 0.000 2.452 353 Y HA 0.537 5.087 4.550 -0.000 0.000 0.348 353 Y C -0.361 175.594 175.900 0.092 0.000 0.985 353 Y CA -0.211 57.956 58.100 0.111 0.000 1.214 353 Y CB 0.525 39.033 38.460 0.081 0.000 1.136 353 Y HN 0.476 nan 8.280 nan 0.000 0.523 357 D N 0.073 120.531 120.400 0.097 0.000 2.348 357 D HA -0.052 4.588 4.640 -0.000 0.000 0.216 357 D C 0.274 176.719 176.300 0.242 0.000 0.970 357 D CA 0.939 55.038 54.000 0.166 0.000 0.889 357 D CB 0.143 41.028 40.800 0.143 0.000 0.912 357 D HN 0.669 nan 8.370 nan 0.000 0.524 358 D N 0.670 121.128 120.400 0.097 0.000 2.349 358 D HA 0.029 4.669 4.640 -0.000 0.000 0.232 358 D C 0.641 176.822 176.300 -0.199 0.000 1.071 358 D CA -0.307 53.660 54.000 -0.055 0.000 0.832 358 D CB 1.502 42.248 40.800 -0.090 0.000 1.086 358 D HN 0.100 nan 8.370 nan 0.000 0.504 359 E N 1.946 121.827 120.200 -0.532 0.000 2.097 359 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 359 E C 1.608 178.049 176.600 -0.264 0.000 1.000 359 E CA 2.034 58.052 56.400 -0.637 0.000 0.804 359 E CB 0.259 29.545 29.700 -0.690 0.000 0.740 359 E HN 0.657 nan 8.360 nan 0.000 0.454 360 T N -1.658 112.778 114.554 -0.196 0.000 2.821 360 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 360 T C 1.956 176.590 174.700 -0.111 0.000 1.046 360 T CA 1.127 63.151 62.100 -0.126 0.000 1.139 360 T CB -0.302 68.504 68.868 -0.103 0.000 0.871 360 T HN 0.224 nan 8.240 nan 0.000 0.454 361 A N 2.139 124.885 122.820 -0.123 0.000 1.877 361 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 361 A C 2.897 180.411 177.584 -0.117 0.000 1.186 361 A CA 2.098 54.060 52.037 -0.125 0.000 0.620 361 A CB -1.553 17.366 19.000 -0.134 0.000 0.822 361 A HN 0.795 nan 8.150 nan 0.000 0.443 362 A N -0.085 122.677 122.820 -0.095 0.000 1.873 362 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 362 A C 2.541 180.098 177.584 -0.045 0.000 1.193 362 A CA 2.562 54.561 52.037 -0.064 0.000 0.629 362 A CB -1.165 17.827 19.000 -0.013 0.000 0.826 362 A HN 1.165 nan 8.150 nan 0.000 0.447 363 A N -0.880 121.911 122.820 -0.049 0.000 1.933 363 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 363 A C 2.136 179.710 177.584 -0.016 0.000 1.175 363 A CA 1.744 53.765 52.037 -0.026 0.000 0.628 363 A CB -0.547 18.431 19.000 -0.036 0.000 0.814 363 A HN 0.769 nan 8.150 nan 0.000 0.444 364 L N -0.525 120.676 121.223 -0.037 0.000 2.109 364 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 364 L C 2.133 178.996 176.870 -0.013 0.000 1.086 364 L CA 1.472 56.295 54.840 -0.027 0.000 0.760 364 L CB -0.447 41.582 42.059 -0.050 0.000 0.910 364 L HN 0.363 nan 8.230 nan 0.000 0.437 365 L N -1.730 119.466 121.223 -0.044 0.000 2.093 365 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 365 L C 2.588 179.544 176.870 0.144 0.000 1.085 365 L CA 0.996 55.824 54.840 -0.020 0.000 0.755 365 L CB -0.621 41.324 42.059 -0.190 0.000 0.904 365 L HN 0.359 nan 8.230 nan 0.000 0.435 366 C N 0.150 119.504 119.300 0.090 0.000 2.413 366 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 366 C C 2.778 177.833 174.990 0.108 0.000 1.248 366 C CA 0.929 60.013 59.018 0.110 0.000 1.742 366 C CB -0.628 27.154 27.740 0.070 0.000 2.017 366 C HN 0.433 nan 8.230 nan 0.000 0.481 367 K N 0.402 120.850 120.400 0.081 0.000 2.147 367 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 367 K C 1.598 178.260 176.600 0.104 0.000 1.049 367 K CA 1.112 57.445 56.287 0.076 0.000 0.936 367 K CB -0.195 32.337 32.500 0.054 0.000 0.722 367 K HN 0.495 nan 8.250 nan 0.000 0.446 368 L N -0.754 120.553 121.223 0.140 0.000 2.478 368 L HA 0.049 4.389 4.340 -0.000 0.000 0.223 368 L C 1.117 178.160 176.870 0.287 0.000 1.140 368 L CA 0.583 55.538 54.840 0.191 0.000 0.842 368 L CB 0.050 42.217 42.059 0.179 0.000 0.953 368 L HN 0.497 nan 8.230 nan 0.000 0.452 369 G N -0.958 107.985 108.800 0.237 0.000 2.148 369 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.203 369 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.203 369 G C 0.046 175.023 174.900 0.127 0.000 0.993 369 G CA -0.683 44.513 45.100 0.160 0.000 0.661 369 G HN 0.107 nan 8.290 nan 0.000 0.518 370 F N 0.461 120.516 119.950 0.175 0.000 2.380 370 F HA 0.526 5.053 4.527 -0.000 0.000 0.325 370 F C 0.955 176.812 175.800 0.095 0.000 1.136 370 F CA -0.722 57.354 58.000 0.126 0.000 1.171 370 F CB 0.785 39.779 39.000 -0.009 0.000 1.230 370 F HN 0.011 nan 8.300 nan 0.000 0.554 371 N N 1.926 120.806 118.700 0.299 0.000 2.807 371 N HA 0.346 5.086 4.740 -0.000 0.000 0.259 371 N C -1.006 174.596 175.510 0.153 0.000 1.149 371 N CA -0.068 53.124 53.050 0.237 0.000 1.042 371 N CB -0.121 38.541 38.487 0.291 0.000 1.367 371 N HN 0.640 nan 8.380 nan 0.000 0.516 372 A N 1.530 124.401 122.820 0.084 0.000 2.320 372 A HA 0.777 5.097 4.320 -0.000 0.000 0.334 372 A C -0.377 177.166 177.584 -0.068 0.000 1.147 372 A CA -0.547 51.458 52.037 -0.054 0.000 0.820 372 A CB 1.111 20.086 19.000 -0.040 0.000 1.218 372 A HN 0.471 nan 8.150 nan 0.000 0.482 373 V N -0.931 118.896 119.914 -0.145 0.000 3.147 373 V HA 0.521 4.641 4.120 -0.000 0.000 0.306 373 V C -0.552 175.535 176.094 -0.012 0.000 1.209 373 V CA -0.751 61.511 62.300 -0.063 0.000 1.023 373 V CB 1.549 33.321 31.823 -0.085 0.000 1.059 373 V HN 1.077 nan 8.190 nan 0.000 0.435 374 H N 1.265 120.299 119.070 -0.059 0.000 2.552 374 H HA 0.446 5.002 4.556 -0.000 0.000 0.311 374 H C -0.208 175.102 175.328 -0.031 0.000 1.071 374 H CA -0.135 55.884 56.048 -0.048 0.000 1.307 374 H CB 0.902 30.645 29.762 -0.031 0.000 1.416 374 H HN 0.928 nan 8.280 nan 0.000 0.464 375 H N 0.000 118.895 119.070 -0.292 0.000 2.539 375 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 375 H CA 0.000 55.864 56.048 -0.306 0.000 1.023 375 H CB 0.000 29.677 29.762 -0.142 0.000 1.292 375 H HN 0.000 nan 8.280 nan 0.000 0.496