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 2qee_1_B DATA FIRST_RESID 1 DATA SEQUENCE LSINSREVLA EKVKNAVNNQ PVTDMHTHLF SPNFGEILLW DIDELLTYHY DATA SEQUENCE LVAEVMRWTD VSIEAFWAMS KREQADLIWE ELFIKRSPVS EACRGVLTCL DATA SEQUENCE QGLGLDPATR DLQVYREYFA KKTSEEQVDT VLQLANVSDV VMTNDPFDDN DATA SEQUENCE ERISWLEGKQ PDSRFHAALR LDPLLNEYEQ TKHRLRDWGY KVNDEWNEGS DATA SEQUENCE IQEVKRFLTD WIERMDPVYM AVSLPPTFSF PEESNRGRII RDCLLPVAEK DATA SEQUENCE HNIPFAMMIG VKKRVHPALG DAGDFVGKAS MDGVEHLLRE YPNNKFLVTM DATA SEQUENCE LSRENQHELV VLARKFSNLM IFGCWWFMNN PEIINEMTRM RMEMLGTSFI DATA SEQUENCE PQHSDARVLE QLIYKWHHSK SIIAEVLIDK YDDILQAGWE VTEEEIKRDV DATA SEQUENCE ADLFSRNFWR FVGRN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.862 176.870 -0.013 0.000 1.165 1 L CA 0.000 54.834 54.840 -0.009 0.000 0.813 1 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 2 S N -0.128 115.562 115.700 -0.017 0.000 3.585 2 S HA -0.104 4.369 4.470 0.005 0.000 0.838 2 S C -0.492 174.096 174.600 -0.020 0.000 1.320 2 S CA 0.685 58.871 58.200 -0.024 0.000 0.956 2 S CB -0.978 62.205 63.200 -0.030 0.000 0.463 2 S HN 0.567 nan 8.310 nan 0.000 0.392 3 I N 2.904 123.460 120.570 -0.025 0.000 2.291 3 I HA 0.240 4.413 4.170 0.005 0.000 0.292 3 I C 0.929 177.045 176.117 -0.002 0.000 1.064 3 I CA -0.138 61.153 61.300 -0.016 0.000 1.269 3 I CB 0.364 38.346 38.000 -0.030 0.000 1.418 3 I HN 0.666 nan 8.210 nan 0.000 0.485 4 N N 4.483 123.187 118.700 0.006 0.000 2.305 4 N HA 0.082 4.826 4.740 0.005 0.000 0.248 4 N C -0.552 174.973 175.510 0.025 0.000 1.290 4 N CA -0.294 52.765 53.050 0.015 0.000 0.873 4 N CB 0.689 39.181 38.487 0.008 0.000 1.261 4 N HN 0.541 nan 8.380 nan 0.000 0.504 5 S N -1.472 114.245 115.700 0.028 0.000 2.588 5 S HA 0.414 4.887 4.470 0.005 0.000 0.269 5 S C 0.537 175.163 174.600 0.043 0.000 1.157 5 S CA -0.874 57.347 58.200 0.034 0.000 0.824 5 S CB 2.479 65.695 63.200 0.027 0.000 1.126 5 S HN 0.077 nan 8.310 nan 0.000 0.464 6 R N 0.703 121.233 120.500 0.049 0.000 2.105 6 R HA -0.151 4.192 4.340 0.005 0.000 0.239 6 R C 2.060 178.389 176.300 0.048 0.000 1.135 6 R CA 2.082 58.216 56.100 0.057 0.000 0.967 6 R CB -0.417 29.916 30.300 0.055 0.000 0.861 6 R HN 0.896 nan 8.270 nan 0.000 0.442 7 E N -0.295 119.927 120.200 0.037 0.000 2.077 7 E HA -0.156 4.197 4.350 0.005 0.000 0.193 7 E C 1.780 178.397 176.600 0.029 0.000 0.989 7 E CA 1.517 57.936 56.400 0.032 0.000 0.800 7 E CB 0.114 29.830 29.700 0.026 0.000 0.746 7 E HN 0.221 nan 8.360 nan 0.000 0.452 8 V N 1.155 121.083 119.914 0.024 0.000 2.358 8 V HA -0.219 3.904 4.120 0.005 0.000 0.246 8 V C 2.422 178.525 176.094 0.015 0.000 1.047 8 V CA 1.121 63.431 62.300 0.016 0.000 1.035 8 V CB -0.449 31.380 31.823 0.009 0.000 0.658 8 V HN 0.317 nan 8.190 nan 0.000 0.452 9 L N 0.810 122.047 121.223 0.024 0.000 2.042 9 L HA -0.137 4.206 4.340 0.005 0.000 0.210 9 L C 2.535 179.431 176.870 0.043 0.000 1.076 9 L CA 2.330 57.185 54.840 0.025 0.000 0.749 9 L CB -1.213 40.883 42.059 0.062 0.000 0.893 9 L HN 0.284 nan 8.230 nan 0.000 0.432 10 A N -1.043 121.809 122.820 0.054 0.000 1.902 10 A HA -0.241 4.083 4.320 0.005 0.000 0.217 10 A C 2.157 179.768 177.584 0.045 0.000 1.181 10 A CA 1.793 53.865 52.037 0.059 0.000 0.623 10 A CB -0.542 18.490 19.000 0.053 0.000 0.818 10 A HN 0.566 nan 8.150 nan 0.000 0.443 11 E N -0.267 119.952 120.200 0.031 0.000 2.038 11 E HA -0.203 4.150 4.350 0.005 0.000 0.195 11 E C 2.026 178.636 176.600 0.018 0.000 1.000 11 E CA 1.381 57.794 56.400 0.022 0.000 0.803 11 E CB -0.110 29.599 29.700 0.015 0.000 0.750 11 E HN 0.325 nan 8.360 nan 0.000 0.448 12 K N 0.473 120.878 120.400 0.008 0.000 2.057 12 K HA -0.062 4.262 4.320 0.005 0.000 0.206 12 K C 2.233 178.837 176.600 0.007 0.000 1.050 12 K CA 0.651 56.934 56.287 -0.006 0.000 0.935 12 K CB -0.681 31.799 32.500 -0.034 0.000 0.715 12 K HN 0.060 nan 8.250 nan 0.000 0.439 13 V N 1.824 121.757 119.914 0.030 0.000 2.307 13 V HA -0.223 3.900 4.120 0.005 0.000 0.245 13 V C 2.254 178.393 176.094 0.076 0.000 1.045 13 V CA 1.681 64.030 62.300 0.082 0.000 1.024 13 V CB -0.395 31.526 31.823 0.162 0.000 0.651 13 V HN 0.318 nan 8.190 nan 0.000 0.449 14 K N 0.150 120.585 120.400 0.058 0.000 2.057 14 K HA -0.174 4.149 4.320 0.005 0.000 0.207 14 K C 2.082 178.694 176.600 0.019 0.000 1.049 14 K CA 1.653 57.965 56.287 0.042 0.000 0.931 14 K CB -0.312 32.210 32.500 0.036 0.000 0.714 14 K HN 0.412 nan 8.250 nan 0.000 0.440 15 N N 1.017 119.726 118.700 0.015 0.000 2.084 15 N HA -0.160 4.583 4.740 0.005 0.000 0.190 15 N C 1.733 177.240 175.510 -0.006 0.000 1.030 15 N CA 1.554 54.606 53.050 0.003 0.000 0.849 15 N CB -0.506 37.982 38.487 0.002 0.000 1.012 15 N HN 0.195 nan 8.380 nan 0.000 0.423 16 A N 0.708 123.532 122.820 0.007 0.000 1.877 16 A HA -0.100 4.223 4.320 0.005 0.000 0.216 16 A C 2.525 180.099 177.584 -0.017 0.000 1.186 16 A CA 1.612 53.655 52.037 0.009 0.000 0.620 16 A CB -0.926 18.097 19.000 0.038 0.000 0.822 16 A HN 0.109 nan 8.150 nan 0.000 0.443 17 V N 1.070 120.981 119.914 -0.005 0.000 2.295 17 V HA -0.269 3.854 4.120 0.005 0.000 0.246 17 V C 2.301 178.280 176.094 -0.191 0.000 1.049 17 V CA 2.151 64.392 62.300 -0.098 0.000 1.024 17 V CB -1.026 30.806 31.823 0.015 0.000 0.648 17 V HN 0.556 nan 8.190 nan 0.000 0.447 18 N N 0.781 119.423 118.700 -0.096 0.000 2.166 18 N HA -0.149 4.594 4.740 0.005 0.000 0.186 18 N C 1.608 177.058 175.510 -0.100 0.000 1.019 18 N CA 1.756 54.754 53.050 -0.086 0.000 0.856 18 N CB -0.590 37.879 38.487 -0.031 0.000 0.993 18 N HN 0.644 nan 8.380 nan 0.000 0.426 19 N N 0.055 118.704 118.700 -0.084 0.000 2.446 19 N HA -0.084 4.659 4.740 0.005 0.000 0.179 19 N C 0.254 175.705 175.510 -0.097 0.000 1.054 19 N CA -0.116 52.890 53.050 -0.073 0.000 0.905 19 N CB 0.129 38.591 38.487 -0.042 0.000 0.973 19 N HN 0.142 nan 8.380 nan 0.000 0.448 20 Q N 2.326 122.043 119.800 -0.140 0.000 2.281 20 Q HA 0.163 4.507 4.340 0.005 0.000 0.267 20 Q C -2.610 173.275 176.000 -0.192 0.000 1.053 20 Q CA -1.816 53.903 55.803 -0.140 0.000 0.905 20 Q CB 0.744 29.388 28.738 -0.156 0.000 1.195 20 Q HN -0.017 nan 8.270 nan 0.000 0.398 21 P HA -0.003 nan 4.420 nan 0.000 0.268 21 P C -1.088 176.108 177.300 -0.173 0.000 1.204 21 P CA -0.117 62.895 63.100 -0.146 0.000 0.768 21 P CB 0.771 32.422 31.700 -0.082 0.000 0.842 22 V N 4.057 123.792 119.914 -0.299 0.000 2.465 22 V HA 0.215 4.338 4.120 0.005 0.000 0.279 22 V C 0.572 176.502 176.094 -0.273 0.000 1.045 22 V CA -0.010 62.046 62.300 -0.407 0.000 0.938 22 V CB 1.270 32.511 31.823 -0.971 0.000 0.986 22 V HN 0.481 nan 8.190 nan 0.000 0.467 23 T N 3.621 118.088 114.554 -0.145 0.000 2.744 23 T HA 0.177 4.530 4.350 0.005 0.000 0.291 23 T C -0.257 174.304 174.700 -0.231 0.000 0.957 23 T CA -0.142 61.904 62.100 -0.091 0.000 1.002 23 T CB 0.488 69.397 68.868 0.068 0.000 0.919 23 T HN 0.703 nan 8.240 nan 0.000 0.468 24 D N 4.245 124.532 120.400 -0.188 0.000 2.428 24 D HA 0.190 4.834 4.640 0.005 0.000 0.221 24 D C 0.956 177.165 176.300 -0.153 0.000 1.123 24 D CA -0.717 53.293 54.000 0.016 0.000 0.869 24 D CB 0.964 41.863 40.800 0.166 0.000 1.032 24 D HN 0.386 nan 8.370 nan 0.000 0.506 25 M N 2.418 121.828 119.600 -0.316 0.000 2.561 25 M HA 0.219 4.703 4.480 0.005 0.000 0.238 25 M C -0.356 175.744 176.300 -0.333 0.000 1.131 25 M CA 0.276 55.142 55.300 -0.723 0.000 1.046 25 M CB -0.422 31.102 32.600 -1.793 0.000 1.532 25 M HN 0.237 nan 8.290 nan 0.000 0.497 26 H N 0.110 119.064 119.070 -0.193 0.000 3.224 26 H HA 0.621 5.181 4.556 0.005 0.000 0.331 26 H C -1.227 174.122 175.328 0.036 0.000 1.002 26 H CA -0.228 55.754 56.048 -0.110 0.000 1.473 26 H CB 0.963 30.570 29.762 -0.258 0.000 1.830 26 H HN 0.358 nan 8.280 nan 0.000 0.485 27 T N 0.970 115.223 114.554 -0.502 0.000 2.804 27 T HA 0.330 4.683 4.350 0.005 0.000 0.290 27 T C -0.352 173.982 174.700 -0.609 0.000 1.099 27 T CA -0.837 61.012 62.100 -0.418 0.000 1.011 27 T CB 1.614 70.378 68.868 -0.173 0.000 1.291 27 T HN 0.722 nan 8.240 nan 0.000 0.523 28 H N 0.473 119.371 119.070 -0.287 0.000 2.505 28 H HA 0.411 4.971 4.556 0.005 0.000 0.260 28 H C -0.253 174.872 175.328 -0.339 0.000 1.168 28 H CA -0.177 55.706 56.048 -0.275 0.000 0.945 28 H CB 0.136 29.852 29.762 -0.077 0.000 1.800 28 H HN 0.315 nan 8.280 nan 0.000 0.586 29 L N 0.164 121.215 121.223 -0.287 0.000 2.387 29 L HA 0.425 4.769 4.340 0.005 0.000 0.266 29 L C -0.528 176.049 176.870 -0.489 0.000 1.059 29 L CA -0.652 54.078 54.840 -0.182 0.000 0.801 29 L CB 0.937 43.037 42.059 0.068 0.000 1.223 29 L HN -0.058 nan 8.230 nan 0.000 0.456 30 F N -0.938 119.008 119.950 -0.008 0.000 2.588 30 F HA 0.280 4.810 4.527 0.005 0.000 0.310 30 F C 0.479 175.797 175.800 -0.804 0.000 1.082 30 F CA -0.661 57.137 58.000 -0.336 0.000 0.929 30 F CB 2.014 40.867 39.000 -0.245 0.000 1.254 30 F HN 0.298 nan 8.300 nan 0.000 0.455 31 S N 3.755 118.730 115.700 -1.208 0.000 2.558 31 S HA 0.037 4.510 4.470 0.005 0.000 0.293 31 S C -1.268 172.933 174.600 -0.666 0.000 1.292 31 S CA -0.916 56.381 58.200 -1.504 0.000 1.063 31 S CB 0.596 63.178 63.200 -1.030 0.000 0.831 31 S HN 0.437 nan 8.310 nan 0.000 0.499 32 P HA -0.123 nan 4.420 nan 0.000 0.222 32 P C 0.887 178.155 177.300 -0.053 0.000 1.147 32 P CA 0.891 63.882 63.100 -0.182 0.000 0.790 32 P CB -0.254 31.352 31.700 -0.157 0.000 0.780 33 N N -0.452 118.226 118.700 -0.037 0.000 2.573 33 N HA -0.130 4.613 4.740 0.005 0.000 0.187 33 N C 1.083 176.665 175.510 0.119 0.000 1.107 33 N CA 0.622 53.693 53.050 0.035 0.000 0.918 33 N CB -1.276 37.221 38.487 0.018 0.000 0.966 33 N HN 0.077 nan 8.380 nan 0.000 0.448 34 F N 0.775 120.611 119.950 -0.191 0.000 2.748 34 F HA 0.266 4.796 4.527 0.005 0.000 0.299 34 F C 2.097 177.799 175.800 -0.163 0.000 1.154 34 F CA 0.167 58.042 58.000 -0.209 0.000 1.446 34 F CB -0.634 38.226 39.000 -0.234 0.000 1.112 34 F HN 0.332 nan 8.300 nan 0.000 0.584 35 G N 0.318 109.162 108.800 0.073 0.000 2.498 35 G HA2 -0.272 3.691 3.960 0.005 0.000 0.245 35 G HA3 -0.272 3.691 3.960 0.005 0.000 0.245 35 G C 0.949 175.887 174.900 0.062 0.000 1.204 35 G CA 0.079 45.203 45.100 0.040 0.000 0.933 35 G HN 0.139 nan 8.290 nan 0.000 0.574 36 E N 0.710 120.931 120.200 0.035 0.000 2.268 36 E HA -0.086 4.267 4.350 0.005 0.000 0.195 36 E C 2.632 179.263 176.600 0.052 0.000 0.995 36 E CA 1.345 57.777 56.400 0.052 0.000 0.836 36 E CB -0.153 29.559 29.700 0.020 0.000 0.763 36 E HN 0.793 nan 8.360 nan 0.000 0.491 37 I N -0.908 119.652 120.570 -0.017 0.000 2.700 37 I HA -0.105 4.068 4.170 0.005 0.000 0.261 37 I C 1.164 177.379 176.117 0.163 0.000 1.219 37 I CA 0.139 61.404 61.300 -0.057 0.000 1.463 37 I CB -0.403 37.338 38.000 -0.431 0.000 1.092 37 I HN -0.074 nan 8.210 nan 0.000 0.452 38 L N 3.587 124.939 121.223 0.215 0.000 2.485 38 L HA 0.305 4.648 4.340 0.005 0.000 0.279 38 L C -0.266 176.812 176.870 0.346 0.000 1.124 38 L CA 0.179 55.217 54.840 0.330 0.000 0.888 38 L CB 0.083 42.287 42.059 0.242 0.000 1.217 38 L HN 0.138 nan 8.230 nan 0.000 0.464 39 L N 7.015 128.425 121.223 0.312 0.000 2.305 39 L HA 0.449 4.793 4.340 0.005 0.000 0.281 39 L C -0.414 176.659 176.870 0.337 0.000 1.085 39 L CA -0.392 54.590 54.840 0.236 0.000 0.813 39 L CB 0.520 42.678 42.059 0.164 0.000 1.157 39 L HN 0.734 nan 8.230 nan 0.000 0.436 40 W N 3.302 124.619 121.300 0.028 0.000 3.066 40 W HA 0.577 5.240 4.660 0.005 0.000 0.330 40 W C -1.479 174.988 176.519 -0.085 0.000 1.253 40 W CA -1.143 56.205 57.345 0.005 0.000 1.187 40 W CB 0.944 30.450 29.460 0.077 0.000 1.434 40 W HN 0.666 nan 8.180 nan 0.000 0.572 41 D N -0.807 119.561 120.400 -0.053 0.000 10.478 41 D HA -0.234 4.409 4.640 0.005 0.000 0.333 41 D C -0.500 175.336 176.300 -0.774 0.000 3.155 41 D CA 0.180 53.715 54.000 -0.774 0.000 2.684 41 D CB -0.804 39.476 40.800 -0.868 0.000 1.281 41 D HN 0.404 nan 8.370 nan 0.000 0.955 42 I N 0.544 120.402 120.570 -1.187 0.000 2.286 42 I HA -0.100 4.073 4.170 0.005 0.000 0.248 42 I C 1.515 177.464 176.117 -0.280 0.000 1.115 42 I CA 1.757 62.739 61.300 -0.530 0.000 1.392 42 I CB -0.576 37.228 38.000 -0.326 0.000 1.065 42 I HN 0.454 nan 8.210 nan 0.000 0.418 43 D N 0.417 120.648 120.400 -0.282 0.000 2.144 43 D HA -0.137 4.506 4.640 0.005 0.000 0.200 43 D C 2.108 178.360 176.300 -0.079 0.000 0.978 43 D CA 0.935 54.845 54.000 -0.149 0.000 0.833 43 D CB -0.141 40.570 40.800 -0.148 0.000 0.961 43 D HN 0.418 nan 8.370 nan 0.000 0.470 44 E N 0.403 120.530 120.200 -0.122 0.000 2.072 44 E HA -0.075 4.279 4.350 0.005 0.000 0.191 44 E C 2.501 179.107 176.600 0.009 0.000 0.985 44 E CA 0.196 56.572 56.400 -0.039 0.000 0.801 44 E CB -0.218 29.440 29.700 -0.069 0.000 0.750 44 E HN 0.343 nan 8.360 nan 0.000 0.452 45 L N 0.523 121.720 121.223 -0.043 0.000 2.012 45 L HA -0.208 4.136 4.340 0.005 0.000 0.210 45 L C 2.603 179.548 176.870 0.125 0.000 1.073 45 L CA 1.074 55.919 54.840 0.009 0.000 0.748 45 L CB -0.438 41.615 42.059 -0.009 0.000 0.891 45 L HN 0.109 nan 8.230 nan 0.000 0.431 46 L N -0.764 120.525 121.223 0.110 0.000 2.217 46 L HA -0.125 4.218 4.340 0.005 0.000 0.211 46 L C 2.269 179.292 176.870 0.256 0.000 1.107 46 L CA 1.506 56.464 54.840 0.197 0.000 0.783 46 L CB -0.577 41.566 42.059 0.140 0.000 0.919 46 L HN 0.435 nan 8.230 nan 0.000 0.442 47 T N -4.701 109.992 114.554 0.232 0.000 3.105 47 T HA 0.002 4.355 4.350 0.005 0.000 0.253 47 T C 0.512 175.432 174.700 0.367 0.000 1.047 47 T CA -0.435 61.846 62.100 0.300 0.000 0.944 47 T CB -0.370 68.646 68.868 0.246 0.000 1.016 47 T HN 0.030 nan 8.240 nan 0.000 0.544 48 Y N 4.400 124.800 120.300 0.167 0.000 2.903 48 Y HA -0.022 4.531 4.550 0.005 0.000 0.338 48 Y C 1.590 177.611 175.900 0.201 0.000 1.265 48 Y CA -0.266 57.910 58.100 0.125 0.000 1.532 48 Y CB 0.347 38.818 38.460 0.017 0.000 1.293 48 Y HN 0.565 nan 8.280 nan 0.000 0.609 49 H N 2.742 121.916 119.070 0.175 0.000 2.456 49 H HA -0.171 4.388 4.556 0.006 0.000 0.296 49 H C 1.156 176.530 175.328 0.078 0.000 1.079 49 H CA 2.059 58.194 56.048 0.146 0.000 1.322 49 H CB -0.642 29.229 29.762 0.181 0.000 1.388 49 H HN 0.646 nan 8.280 nan 0.000 0.538 50 Y N 0.945 120.708 120.300 -0.895 0.000 2.165 50 Y HA -0.118 4.435 4.550 0.005 0.000 0.286 50 Y C 2.408 178.227 175.900 -0.136 0.000 1.155 50 Y CA 1.021 58.825 58.100 -0.492 0.000 1.164 50 Y CB -0.511 37.572 38.460 -0.629 0.000 0.978 50 Y HN 0.277 nan 8.280 nan 0.000 0.513 51 L N -1.634 119.656 121.223 0.111 0.000 2.240 51 L HA -0.101 4.243 4.340 0.005 0.000 0.211 51 L C 2.207 179.125 176.870 0.081 0.000 1.106 51 L CA 0.247 55.180 54.840 0.155 0.000 0.793 51 L CB -0.606 41.606 42.059 0.254 0.000 0.927 51 L HN 0.014 nan 8.230 nan 0.000 0.446 52 V N 0.516 120.468 119.914 0.063 0.000 2.343 52 V HA -0.305 3.818 4.120 0.005 0.000 0.247 52 V C 2.835 178.840 176.094 -0.147 0.000 1.051 52 V CA 1.909 64.130 62.300 -0.131 0.000 1.036 52 V CB -0.937 30.854 31.823 -0.054 0.000 0.654 52 V HN 0.480 nan 8.190 nan 0.000 0.451 53 A N -0.386 122.428 122.820 -0.011 0.000 1.908 53 A HA -0.261 4.062 4.320 0.005 0.000 0.218 53 A C 2.200 179.755 177.584 -0.050 0.000 1.181 53 A CA 2.023 54.046 52.037 -0.023 0.000 0.627 53 A CB -0.478 18.552 19.000 0.050 0.000 0.818 53 A HN 0.631 nan 8.150 nan 0.000 0.445 54 E N -0.879 119.317 120.200 -0.007 0.000 2.106 54 E HA -0.098 4.255 4.350 0.005 0.000 0.192 54 E C 1.944 178.567 176.600 0.039 0.000 0.984 54 E CA 1.018 57.427 56.400 0.014 0.000 0.806 54 E CB -0.237 29.500 29.700 0.062 0.000 0.750 54 E HN 0.366 nan 8.360 nan 0.000 0.458 55 V N 1.085 121.004 119.914 0.008 0.000 2.515 55 V HA -0.211 3.913 4.120 0.005 0.000 0.250 55 V C 1.901 177.978 176.094 -0.030 0.000 1.058 55 V CA 1.274 63.590 62.300 0.027 0.000 1.064 55 V CB -0.136 31.660 31.823 -0.044 0.000 0.675 55 V HN 0.305 nan 8.190 nan 0.000 0.461 56 M N -0.739 118.772 119.600 -0.148 0.000 2.460 56 M HA -0.034 4.450 4.480 0.005 0.000 0.263 56 M C 2.053 178.291 176.300 -0.104 0.000 1.071 56 M CA 1.267 56.473 55.300 -0.157 0.000 1.096 56 M CB -1.255 31.215 32.600 -0.216 0.000 1.408 56 M HN 0.327 nan 8.290 nan 0.000 0.463 57 R N -1.967 118.456 120.500 -0.128 0.000 2.236 57 R HA -0.104 4.240 4.340 0.005 0.000 0.208 57 R C 1.503 177.621 176.300 -0.305 0.000 1.036 57 R CA 0.965 56.911 56.100 -0.257 0.000 1.001 57 R CB 0.089 30.155 30.300 -0.390 0.000 0.896 57 R HN 0.444 nan 8.270 nan 0.000 0.464 58 W N -0.869 120.393 121.300 -0.064 0.000 2.952 58 W HA 0.133 4.796 4.660 0.005 0.000 0.251 58 W C 1.086 177.581 176.519 -0.040 0.000 1.144 58 W CA -0.297 57.018 57.345 -0.049 0.000 1.551 58 W CB 0.038 29.469 29.460 -0.048 0.000 0.978 58 W HN -0.228 nan 8.180 nan 0.000 0.648 59 T N 0.892 115.566 114.554 0.200 0.000 2.898 59 T HA -0.018 4.335 4.350 0.005 0.000 0.301 59 T C 0.779 175.525 174.700 0.076 0.000 1.049 59 T CA 0.120 62.290 62.100 0.116 0.000 1.095 59 T CB 0.765 69.673 68.868 0.067 0.000 0.976 59 T HN -0.055 nan 8.240 nan 0.000 0.539 60 D N 1.875 122.316 120.400 0.069 0.000 2.323 60 D HA 0.058 4.701 4.640 0.005 0.000 0.209 60 D C 0.619 176.946 176.300 0.045 0.000 0.973 60 D CA 0.335 54.365 54.000 0.051 0.000 0.874 60 D CB 0.011 40.840 40.800 0.048 0.000 0.930 60 D HN 0.299 nan 8.370 nan 0.000 0.521 61 V N 2.547 122.493 119.914 0.053 0.000 2.540 61 V HA -0.024 4.099 4.120 0.005 0.000 0.297 61 V C 1.102 177.225 176.094 0.047 0.000 1.024 61 V CA -0.319 62.018 62.300 0.062 0.000 1.105 61 V CB 0.688 32.571 31.823 0.100 0.000 0.938 61 V HN 0.161 nan 8.190 nan 0.000 0.482 62 S N 4.960 120.691 115.700 0.053 0.000 2.584 62 S HA 0.177 4.651 4.470 0.005 0.000 0.270 62 S C 1.035 175.666 174.600 0.050 0.000 1.346 62 S CA -0.343 57.886 58.200 0.049 0.000 1.018 62 S CB 0.746 63.983 63.200 0.061 0.000 0.899 62 S HN 0.571 nan 8.310 nan 0.000 0.542 63 I N 1.489 122.082 120.570 0.038 0.000 2.208 63 I HA -0.107 4.066 4.170 0.005 0.000 0.245 63 I C 2.135 178.326 176.117 0.123 0.000 1.097 63 I CA 1.711 63.019 61.300 0.014 0.000 1.363 63 I CB -0.932 37.101 38.000 0.054 0.000 1.051 63 I HN 0.845 nan 8.210 nan 0.000 0.413 64 E N 0.823 121.133 120.200 0.183 0.000 2.038 64 E HA -0.206 4.147 4.350 0.005 0.000 0.195 64 E C 2.287 178.992 176.600 0.176 0.000 1.000 64 E CA 1.774 58.306 56.400 0.220 0.000 0.803 64 E CB -0.788 29.007 29.700 0.158 0.000 0.750 64 E HN 0.586 nan 8.360 nan 0.000 0.448 65 A N 0.265 123.156 122.820 0.119 0.000 1.940 65 A HA -0.206 4.117 4.320 0.005 0.000 0.219 65 A C 2.127 179.752 177.584 0.069 0.000 1.176 65 A CA 1.445 53.535 52.037 0.088 0.000 0.631 65 A CB -0.872 18.172 19.000 0.074 0.000 0.814 65 A HN 0.325 nan 8.150 nan 0.000 0.446 66 F N -0.866 119.025 119.950 -0.098 0.000 2.069 66 F HA -0.200 4.330 4.527 0.005 0.000 0.298 66 F C 2.003 177.711 175.800 -0.154 0.000 1.113 66 F CA 1.872 59.739 58.000 -0.220 0.000 1.214 66 F CB -0.505 38.215 39.000 -0.467 0.000 0.978 66 F HN 0.416 nan 8.300 nan 0.000 0.474 67 W N -0.320 121.042 121.300 0.103 0.000 2.595 67 W HA 0.033 4.697 4.660 0.006 0.000 0.257 67 W C 2.359 178.846 176.519 -0.053 0.000 1.267 67 W CA 0.594 57.947 57.345 0.013 0.000 1.300 67 W CB -0.477 29.046 29.460 0.106 0.000 1.120 67 W HN 0.074 nan 8.180 nan 0.000 0.618 68 A N -0.221 122.689 122.820 0.150 0.000 2.067 68 A HA 0.042 4.366 4.320 0.005 0.000 0.217 68 A C 1.164 178.747 177.584 -0.000 0.000 1.156 68 A CA 0.394 52.477 52.037 0.075 0.000 0.683 68 A CB -0.466 18.576 19.000 0.070 0.000 0.808 68 A HN 0.109 nan 8.150 nan 0.000 0.455 69 M N 1.044 120.592 119.600 -0.086 0.000 2.226 69 M HA 0.173 4.656 4.480 0.005 0.000 0.324 69 M C 0.935 177.165 176.300 -0.117 0.000 1.112 69 M CA -0.227 54.995 55.300 -0.129 0.000 1.176 69 M CB 0.873 33.332 32.600 -0.234 0.000 1.430 69 M HN 0.415 nan 8.290 nan 0.000 0.462 70 S N 0.862 116.511 115.700 -0.086 0.000 2.600 70 S HA 0.138 4.611 4.470 0.005 0.000 0.265 70 S C 0.807 175.351 174.600 -0.093 0.000 1.325 70 S CA -0.664 57.497 58.200 -0.066 0.000 1.002 70 S CB 0.991 64.162 63.200 -0.048 0.000 0.921 70 S HN 0.789 nan 8.310 nan 0.000 0.554 71 K N 0.796 121.160 120.400 -0.060 0.000 2.044 71 K HA -0.174 4.149 4.320 0.005 0.000 0.210 71 K C 2.478 179.042 176.600 -0.059 0.000 1.049 71 K CA 1.584 57.840 56.287 -0.052 0.000 0.927 71 K CB -0.225 32.258 32.500 -0.029 0.000 0.713 71 K HN 0.680 nan 8.250 nan 0.000 0.443 72 R N 0.588 121.051 120.500 -0.061 0.000 2.091 72 R HA -0.170 4.173 4.340 0.005 0.000 0.238 72 R C 1.934 178.206 176.300 -0.047 0.000 1.136 72 R CA 2.054 58.118 56.100 -0.059 0.000 0.959 72 R CB -0.061 30.203 30.300 -0.059 0.000 0.856 72 R HN 0.339 nan 8.270 nan 0.000 0.437 73 E N -0.067 120.100 120.200 -0.056 0.000 2.051 73 E HA -0.226 4.127 4.350 0.005 0.000 0.192 73 E C 2.207 178.776 176.600 -0.051 0.000 0.991 73 E CA 1.371 57.742 56.400 -0.049 0.000 0.799 73 E CB 0.010 29.670 29.700 -0.067 0.000 0.748 73 E HN 0.427 nan 8.360 nan 0.000 0.449 74 Q N 0.259 119.977 119.800 -0.137 0.000 2.030 74 Q HA -0.216 4.127 4.340 0.005 0.000 0.204 74 Q C 2.300 178.358 176.000 0.097 0.000 0.986 74 Q CA 1.621 57.328 55.803 -0.159 0.000 0.843 74 Q CB -0.280 28.224 28.738 -0.390 0.000 0.904 74 Q HN 0.265 nan 8.270 nan 0.000 0.420 75 A N 1.399 124.257 122.820 0.063 0.000 1.908 75 A HA -0.260 4.063 4.320 0.005 0.000 0.218 75 A C 1.647 179.303 177.584 0.119 0.000 1.181 75 A CA 1.938 54.032 52.037 0.095 0.000 0.627 75 A CB -0.601 18.407 19.000 0.014 0.000 0.818 75 A HN 0.302 nan 8.150 nan 0.000 0.445 76 D N -0.465 119.979 120.400 0.073 0.000 2.104 76 D HA -0.151 4.493 4.640 0.005 0.000 0.194 76 D C 1.854 178.265 176.300 0.186 0.000 0.994 76 D CA 1.478 55.542 54.000 0.107 0.000 0.830 76 D CB -0.463 40.368 40.800 0.052 0.000 0.959 76 D HN 0.379 nan 8.370 nan 0.000 0.452 77 L N 0.790 122.114 121.223 0.170 0.000 2.017 77 L HA -0.078 4.265 4.340 0.005 0.000 0.208 77 L C 2.205 179.211 176.870 0.227 0.000 1.073 77 L CA 1.316 56.268 54.840 0.186 0.000 0.745 77 L CB -0.495 41.692 42.059 0.213 0.000 0.894 77 L HN -0.024 nan 8.230 nan 0.000 0.432 78 I N -1.571 119.166 120.570 0.280 0.000 2.286 78 I HA -0.340 3.834 4.170 0.005 0.000 0.248 78 I C 2.376 178.725 176.117 0.387 0.000 1.115 78 I CA 1.578 63.061 61.300 0.304 0.000 1.392 78 I CB -0.528 37.669 38.000 0.328 0.000 1.065 78 I HN 0.574 nan 8.210 nan 0.000 0.418 79 W N 2.136 123.520 121.300 0.141 0.000 2.354 79 W HA -0.282 4.381 4.660 0.005 0.000 0.315 79 W C 2.450 179.074 176.519 0.176 0.000 1.206 79 W CA 2.108 59.500 57.345 0.078 0.000 1.290 79 W CB -0.134 29.272 29.460 -0.091 0.000 1.152 79 W HN 0.159 nan 8.180 nan 0.000 0.489 80 E N 0.694 121.027 120.200 0.222 0.000 2.058 80 E HA -0.249 4.105 4.350 0.005 0.000 0.194 80 E C 1.975 178.566 176.600 -0.014 0.000 0.997 80 E CA 2.154 58.599 56.400 0.075 0.000 0.801 80 E CB -0.522 29.241 29.700 0.104 0.000 0.746 80 E HN 0.176 nan 8.360 nan 0.000 0.450 81 E N -0.342 119.875 120.200 0.029 0.000 2.112 81 E HA -0.042 4.311 4.350 0.005 0.000 0.190 81 E C 2.079 178.581 176.600 -0.165 0.000 0.979 81 E CA 0.763 57.127 56.400 -0.061 0.000 0.814 81 E CB 0.098 29.815 29.700 0.028 0.000 0.762 81 E HN 0.391 nan 8.360 nan 0.000 0.460 82 L N -1.261 119.940 121.223 -0.037 0.000 2.556 82 L HA 0.174 4.518 4.340 0.005 0.000 0.226 82 L C 1.556 178.166 176.870 -0.432 0.000 1.089 82 L CA 0.193 54.925 54.840 -0.179 0.000 0.864 82 L CB 0.088 42.103 42.059 -0.074 0.000 1.067 82 L HN 0.014 nan 8.230 nan 0.000 0.477 83 F N -1.185 118.534 119.950 -0.384 0.000 2.619 83 F HA 0.168 4.698 4.527 0.005 0.000 0.281 83 F C 2.031 177.537 175.800 -0.490 0.000 1.065 83 F CA -0.049 57.623 58.000 -0.547 0.000 1.304 83 F CB 0.399 38.738 39.000 -1.102 0.000 1.059 83 F HN -0.188 nan 8.300 nan 0.000 0.648 84 I N 0.370 120.784 120.570 -0.260 0.000 2.556 84 I HA -0.044 4.129 4.170 0.005 0.000 0.251 84 I C 1.872 177.883 176.117 -0.176 0.000 1.105 84 I CA 1.270 62.452 61.300 -0.196 0.000 1.436 84 I CB -1.119 36.797 38.000 -0.140 0.000 1.139 84 I HN 0.066 nan 8.210 nan 0.000 0.438 85 K N 0.602 120.875 120.400 -0.211 0.000 2.228 85 K HA 0.019 4.342 4.320 0.005 0.000 0.202 85 K C 0.218 176.610 176.600 -0.348 0.000 1.051 85 K CA 0.523 56.658 56.287 -0.253 0.000 0.960 85 K CB 0.270 32.600 32.500 -0.283 0.000 0.743 85 K HN 0.179 nan 8.250 nan 0.000 0.458 86 R N -0.377 119.889 120.500 -0.390 0.000 2.771 86 R HA 0.256 4.599 4.340 0.005 0.000 0.274 86 R C -0.946 175.188 176.300 -0.277 0.000 0.987 86 R CA -0.488 55.392 56.100 -0.367 0.000 0.908 86 R CB 1.882 31.873 30.300 -0.514 0.000 1.213 86 R HN -0.155 nan 8.270 nan 0.000 0.468 87 S N 3.308 118.886 115.700 -0.204 0.000 2.549 87 S HA 0.144 4.618 4.470 0.005 0.000 0.283 87 S C -1.935 172.517 174.600 -0.248 0.000 1.320 87 S CA -0.630 57.458 58.200 -0.186 0.000 1.058 87 S CB 0.511 63.640 63.200 -0.118 0.000 0.882 87 S HN 0.428 nan 8.310 nan 0.000 0.498 88 P HA 0.097 nan 4.420 nan 0.000 0.225 88 P C 0.771 177.893 177.300 -0.296 0.000 1.768 88 P CA -0.135 62.644 63.100 -0.536 0.000 0.943 88 P CB -0.583 30.647 31.700 -0.784 0.000 1.936 89 V N -1.359 118.442 119.914 -0.188 0.000 3.406 89 V HA 0.014 4.137 4.120 0.005 0.000 0.263 89 V C 1.147 177.194 176.094 -0.078 0.000 1.172 89 V CA 0.394 62.631 62.300 -0.105 0.000 1.140 89 V CB -1.232 30.552 31.823 -0.066 0.000 0.784 89 V HN 0.342 nan 8.190 nan 0.000 0.467 90 S N 0.595 116.243 115.700 -0.087 0.000 2.576 90 S HA 0.096 4.570 4.470 0.005 0.000 0.272 90 S C 1.124 175.721 174.600 -0.005 0.000 1.352 90 S CA 0.646 58.829 58.200 -0.029 0.000 1.021 90 S CB 1.265 64.457 63.200 -0.014 0.000 0.887 90 S HN 0.515 nan 8.310 nan 0.000 0.542 91 E N 2.098 122.332 120.200 0.057 0.000 2.085 91 E HA -0.135 4.218 4.350 0.005 0.000 0.194 91 E C 2.036 178.700 176.600 0.106 0.000 0.994 91 E CA 2.058 58.528 56.400 0.115 0.000 0.801 91 E CB -0.957 28.860 29.700 0.196 0.000 0.743 91 E HN 0.814 nan 8.360 nan 0.000 0.453 92 A N -0.277 122.627 122.820 0.140 0.000 1.898 92 A HA -0.145 4.178 4.320 0.005 0.000 0.216 92 A C 2.601 180.194 177.584 0.016 0.000 1.181 92 A CA 1.366 53.493 52.037 0.150 0.000 0.620 92 A CB -0.939 18.237 19.000 0.293 0.000 0.819 92 A HN 0.502 nan 8.150 nan 0.000 0.442 93 C N -1.049 118.237 119.300 -0.024 0.000 2.453 93 C HA -0.052 4.411 4.460 0.005 0.000 0.277 93 C C 2.789 177.753 174.990 -0.045 0.000 1.262 93 C CA 1.093 60.037 59.018 -0.124 0.000 1.718 93 C CB -1.225 26.182 27.740 -0.555 0.000 2.031 93 C HN 0.717 nan 8.230 nan 0.000 0.480 94 R N 1.074 121.533 120.500 -0.069 0.000 2.103 94 R HA -0.141 4.202 4.340 0.005 0.000 0.242 94 R C 2.239 178.533 176.300 -0.010 0.000 1.142 94 R CA 2.124 58.220 56.100 -0.007 0.000 0.960 94 R CB -0.783 29.511 30.300 -0.010 0.000 0.858 94 R HN 0.571 nan 8.270 nan 0.000 0.439 95 G N 0.254 108.880 108.800 -0.290 0.000 2.440 95 G HA2 -0.227 3.736 3.960 0.005 0.000 0.218 95 G HA3 -0.227 3.736 3.960 0.005 0.000 0.218 95 G C 1.462 176.011 174.900 -0.585 0.000 1.154 95 G CA 0.948 45.343 45.100 -1.174 0.000 0.767 95 G HN 0.245 nan 8.290 nan 0.000 0.552 96 V N 1.168 120.955 119.914 -0.211 0.000 2.332 96 V HA -0.196 3.928 4.120 0.005 0.000 0.248 96 V C 2.938 179.076 176.094 0.073 0.000 1.055 96 V CA 1.716 64.051 62.300 0.058 0.000 1.038 96 V CB -0.508 31.481 31.823 0.276 0.000 0.651 96 V HN 0.373 nan 8.190 nan 0.000 0.450 97 L N -0.490 120.811 121.223 0.130 0.000 2.017 97 L HA -0.170 4.173 4.340 0.005 0.000 0.208 97 L C 2.637 179.520 176.870 0.022 0.000 1.073 97 L CA 2.015 56.915 54.840 0.100 0.000 0.745 97 L CB -1.236 40.911 42.059 0.147 0.000 0.894 97 L HN 0.318 nan 8.230 nan 0.000 0.432 98 T N -0.790 113.784 114.554 0.033 0.000 2.759 98 T HA -0.192 4.161 4.350 0.005 0.000 0.269 98 T C 2.074 176.758 174.700 -0.026 0.000 1.042 98 T CA 1.539 63.641 62.100 0.003 0.000 1.140 98 T CB -0.374 68.557 68.868 0.105 0.000 0.864 98 T HN 0.396 nan 8.240 nan 0.000 0.455 99 C N 0.968 120.278 119.300 0.016 0.000 2.436 99 C HA 0.047 4.510 4.460 0.005 0.000 0.277 99 C C 2.689 177.653 174.990 -0.043 0.000 1.241 99 C CA 0.261 59.296 59.018 0.028 0.000 1.721 99 C CB -1.436 26.357 27.740 0.088 0.000 2.043 99 C HN 0.516 nan 8.230 nan 0.000 0.472 100 L N 0.515 121.686 121.223 -0.088 0.000 2.013 100 L HA -0.287 4.056 4.340 0.005 0.000 0.212 100 L C 2.840 179.586 176.870 -0.208 0.000 1.073 100 L CA 2.009 56.716 54.840 -0.221 0.000 0.753 100 L CB -0.905 40.931 42.059 -0.372 0.000 0.890 100 L HN 0.507 nan 8.230 nan 0.000 0.432 101 Q N -0.077 119.642 119.800 -0.134 0.000 2.084 101 Q HA -0.177 4.166 4.340 0.005 0.000 0.202 101 Q C 2.134 178.075 176.000 -0.097 0.000 0.978 101 Q CA 1.704 57.447 55.803 -0.101 0.000 0.844 101 Q CB -0.222 28.476 28.738 -0.067 0.000 0.898 101 Q HN 0.548 nan 8.270 nan 0.000 0.426 102 G N 0.729 109.473 108.800 -0.094 0.000 2.422 102 G HA2 -0.185 3.778 3.960 0.005 0.000 0.218 102 G HA3 -0.185 3.778 3.960 0.005 0.000 0.218 102 G C 1.248 176.102 174.900 -0.078 0.000 1.140 102 G CA 0.420 45.479 45.100 -0.068 0.000 0.775 102 G HN 0.323 nan 8.290 nan 0.000 0.545 103 L N 0.240 121.376 121.223 -0.145 0.000 2.610 103 L HA 0.240 4.583 4.340 0.005 0.000 0.232 103 L C 2.081 178.808 176.870 -0.239 0.000 1.149 103 L CA 0.501 55.194 54.840 -0.246 0.000 0.872 103 L CB 0.049 41.791 42.059 -0.528 0.000 0.992 103 L HN 0.376 nan 8.230 nan 0.000 0.447 104 G N -0.023 108.685 108.800 -0.154 0.000 2.157 104 G HA2 -0.253 3.710 3.960 0.005 0.000 0.248 104 G HA3 -0.253 3.710 3.960 0.005 0.000 0.248 104 G C 0.218 175.062 174.900 -0.093 0.000 0.979 104 G CA -0.219 44.829 45.100 -0.086 0.000 0.650 104 G HN 0.207 nan 8.290 nan 0.000 0.529 105 L N 0.416 121.531 121.223 -0.180 0.000 2.439 105 L HA 0.557 4.900 4.340 0.005 0.000 0.261 105 L C 0.206 177.034 176.870 -0.071 0.000 1.153 105 L CA -0.638 54.124 54.840 -0.130 0.000 0.808 105 L CB 0.701 42.595 42.059 -0.274 0.000 1.126 105 L HN 0.077 nan 8.230 nan 0.000 0.460 106 D N 1.328 121.766 120.400 0.063 0.000 2.460 106 D HA 0.268 4.911 4.640 0.005 0.000 0.232 106 D C -1.899 174.504 176.300 0.171 0.000 1.079 106 D CA -2.052 52.003 54.000 0.091 0.000 0.864 106 D CB 1.743 42.611 40.800 0.113 0.000 1.048 106 D HN 0.112 nan 8.370 nan 0.000 0.523 107 P HA -0.067 nan 4.420 nan 0.000 0.221 107 P C 1.026 178.478 177.300 0.254 0.000 1.145 107 P CA 0.802 64.016 63.100 0.190 0.000 0.795 107 P CB 0.299 32.066 31.700 0.112 0.000 0.775 108 A N -0.116 122.806 122.820 0.171 0.000 1.978 108 A HA -0.216 4.107 4.320 0.005 0.000 0.220 108 A C 2.225 179.904 177.584 0.158 0.000 1.170 108 A CA 2.453 54.574 52.037 0.140 0.000 0.636 108 A CB -1.912 17.145 19.000 0.095 0.000 0.810 108 A HN 0.360 nan 8.150 nan 0.000 0.448 109 T N -3.824 110.842 114.554 0.187 0.000 2.995 109 T HA -0.042 4.311 4.350 0.005 0.000 0.269 109 T C 0.972 175.765 174.700 0.156 0.000 1.091 109 T CA 0.746 62.929 62.100 0.138 0.000 1.128 109 T CB -0.410 68.515 68.868 0.095 0.000 0.891 109 T HN 0.599 nan 8.240 nan 0.000 0.492 110 R N 0.830 121.518 120.500 0.312 0.000 3.758 110 R HA -0.129 4.214 4.340 0.005 0.000 0.299 110 R C -0.765 175.570 176.300 0.058 0.000 1.182 110 R CA 0.847 57.212 56.100 0.442 0.000 0.809 110 R CB -2.200 28.334 30.300 0.391 0.000 1.249 110 R HN 0.446 nan 8.270 nan 0.000 0.497 111 D N 1.009 121.154 120.400 -0.424 0.000 2.522 111 D HA 0.073 4.716 4.640 0.005 0.000 0.218 111 D C 1.009 176.589 176.300 -1.201 0.000 1.149 111 D CA -0.232 53.391 54.000 -0.630 0.000 0.981 111 D CB 0.652 41.208 40.800 -0.407 0.000 1.041 111 D HN 0.059 nan 8.370 nan 0.000 0.518 112 L N 3.167 123.836 121.223 -0.923 0.000 2.083 112 L HA -0.191 4.153 4.340 0.005 0.000 0.209 112 L C 1.993 178.568 176.870 -0.491 0.000 1.083 112 L CA 1.735 56.049 54.840 -0.877 0.000 0.752 112 L CB -0.219 41.280 42.059 -0.934 0.000 0.899 112 L HN 0.302 nan 8.230 nan 0.000 0.433 113 Q N -0.788 118.793 119.800 -0.365 0.000 2.050 113 Q HA -0.144 4.199 4.340 0.005 0.000 0.202 113 Q C 2.389 178.301 176.000 -0.146 0.000 0.980 113 Q CA 1.820 57.504 55.803 -0.198 0.000 0.840 113 Q CB -1.118 27.532 28.738 -0.147 0.000 0.898 113 Q HN 0.444 nan 8.270 nan 0.000 0.424 114 V N 0.960 120.747 119.914 -0.213 0.000 2.255 114 V HA -0.286 3.837 4.120 0.005 0.000 0.247 114 V C 2.182 178.307 176.094 0.052 0.000 1.051 114 V CA 1.903 64.143 62.300 -0.101 0.000 1.018 114 V CB -0.914 30.837 31.823 -0.119 0.000 0.641 114 V HN 0.218 nan 8.190 nan 0.000 0.445 115 Y N 0.847 121.142 120.300 -0.009 0.000 2.102 115 Y HA -0.268 4.285 4.550 0.005 0.000 0.280 115 Y C 2.635 178.684 175.900 0.249 0.000 1.178 115 Y CA 1.463 59.602 58.100 0.065 0.000 1.146 115 Y CB -1.252 37.193 38.460 -0.025 0.000 0.968 115 Y HN 0.192 nan 8.280 nan 0.000 0.504 116 R N 0.193 120.857 120.500 0.273 0.000 2.096 116 R HA -0.160 4.183 4.340 0.005 0.000 0.235 116 R C 2.144 178.618 176.300 0.290 0.000 1.127 116 R CA 1.534 57.795 56.100 0.269 0.000 0.968 116 R CB -0.323 30.011 30.300 0.057 0.000 0.861 116 R HN 0.489 nan 8.270 nan 0.000 0.440 117 E N -0.472 119.834 120.200 0.176 0.000 2.118 117 E HA -0.265 4.088 4.350 0.005 0.000 0.195 117 E C 1.606 178.280 176.600 0.123 0.000 0.992 117 E CA 1.331 57.801 56.400 0.116 0.000 0.804 117 E CB -0.203 29.535 29.700 0.063 0.000 0.741 117 E HN 0.402 nan 8.360 nan 0.000 0.458 118 Y N 0.239 120.544 120.300 0.008 0.000 2.151 118 Y HA -0.293 4.260 4.550 0.005 0.000 0.284 118 Y C 1.650 177.450 175.900 -0.166 0.000 1.166 118 Y CA 1.802 59.803 58.100 -0.166 0.000 1.163 118 Y CB -0.187 38.029 38.460 -0.407 0.000 0.974 118 Y HN -0.028 nan 8.280 nan 0.000 0.511 119 F N -0.707 119.397 119.950 0.256 0.000 2.473 119 F HA 0.138 4.668 4.527 0.005 0.000 0.294 119 F C 2.484 178.361 175.800 0.129 0.000 1.103 119 F CA 0.553 58.718 58.000 0.275 0.000 1.442 119 F CB -0.851 38.314 39.000 0.276 0.000 1.097 119 F HN 0.072 nan 8.300 nan 0.000 0.547 120 A N 0.362 123.313 122.820 0.217 0.000 2.076 120 A HA -0.183 4.141 4.320 0.005 0.000 0.220 120 A C 1.957 179.589 177.584 0.079 0.000 1.160 120 A CA 1.428 53.528 52.037 0.104 0.000 0.653 120 A CB -0.595 18.444 19.000 0.064 0.000 0.801 120 A HN 0.360 nan 8.150 nan 0.000 0.455 121 K N -0.640 119.784 120.400 0.040 0.000 2.374 121 K HA 0.133 4.456 4.320 0.005 0.000 0.196 121 K C -0.258 176.342 176.600 0.000 0.000 1.023 121 K CA 0.255 56.535 56.287 -0.012 0.000 1.103 121 K CB 0.333 32.780 32.500 -0.090 0.000 0.848 121 K HN 0.365 nan 8.250 nan 0.000 0.528 122 K N 0.897 121.359 120.400 0.103 0.000 2.385 122 K HA 0.202 4.526 4.320 0.005 0.000 0.248 122 K C -0.111 176.624 176.600 0.224 0.000 0.955 122 K CA -0.649 55.695 56.287 0.094 0.000 0.816 122 K CB 1.977 34.487 32.500 0.018 0.000 1.250 122 K HN -0.051 nan 8.250 nan 0.000 0.434 123 T N -1.930 112.671 114.554 0.078 0.000 2.847 123 T HA 0.130 4.484 4.350 0.005 0.000 0.279 123 T C 1.152 175.788 174.700 -0.107 0.000 0.984 123 T CA -0.599 61.559 62.100 0.098 0.000 0.988 123 T CB 1.344 70.228 68.868 0.026 0.000 1.040 123 T HN 0.366 nan 8.240 nan 0.000 0.528 124 S N 0.670 116.347 115.700 -0.038 0.000 2.359 124 S HA -0.132 4.341 4.470 0.005 0.000 0.224 124 S C 1.992 176.376 174.600 -0.360 0.000 1.035 124 S CA 1.690 59.678 58.200 -0.354 0.000 1.018 124 S CB -0.569 62.634 63.200 0.006 0.000 0.876 124 S HN 0.845 nan 8.310 nan 0.000 0.448 125 E N 1.212 121.310 120.200 -0.171 0.000 2.077 125 E HA -0.127 4.226 4.350 0.005 0.000 0.193 125 E C 2.077 178.592 176.600 -0.141 0.000 0.989 125 E CA 1.129 57.451 56.400 -0.129 0.000 0.800 125 E CB -0.193 29.465 29.700 -0.070 0.000 0.746 125 E HN 0.568 nan 8.360 nan 0.000 0.452 126 E N 0.033 120.141 120.200 -0.153 0.000 2.072 126 E HA -0.233 4.120 4.350 0.005 0.000 0.191 126 E C 2.074 178.568 176.600 -0.178 0.000 0.985 126 E CA 1.103 57.422 56.400 -0.135 0.000 0.801 126 E CB -0.023 29.607 29.700 -0.116 0.000 0.750 126 E HN 0.084 nan 8.360 nan 0.000 0.452 127 Q N 0.625 120.228 119.800 -0.330 0.000 2.167 127 Q HA -0.103 4.240 4.340 0.005 0.000 0.202 127 Q C 1.992 177.855 176.000 -0.227 0.000 0.970 127 Q CA 0.966 56.560 55.803 -0.348 0.000 0.855 127 Q CB 0.020 28.283 28.738 -0.791 0.000 0.911 127 Q HN 0.094 nan 8.270 nan 0.000 0.438 128 V N 1.074 120.850 119.914 -0.229 0.000 2.343 128 V HA -0.257 3.866 4.120 0.005 0.000 0.247 128 V C 1.650 177.725 176.094 -0.031 0.000 1.051 128 V CA 2.108 64.364 62.300 -0.074 0.000 1.036 128 V CB -0.627 31.195 31.823 -0.002 0.000 0.654 128 V HN 0.403 nan 8.190 nan 0.000 0.451 129 D N -0.122 120.249 120.400 -0.048 0.000 2.104 129 D HA -0.145 4.498 4.640 0.005 0.000 0.194 129 D C 2.284 178.568 176.300 -0.026 0.000 0.994 129 D CA 1.936 55.917 54.000 -0.030 0.000 0.830 129 D CB -0.474 40.305 40.800 -0.036 0.000 0.959 129 D HN 0.393 nan 8.370 nan 0.000 0.452 130 T N 0.628 115.164 114.554 -0.029 0.000 2.674 130 T HA -0.096 4.257 4.350 0.005 0.000 0.265 130 T C 2.268 176.973 174.700 0.009 0.000 1.039 130 T CA 0.923 63.023 62.100 -0.002 0.000 1.150 130 T CB -0.379 68.502 68.868 0.022 0.000 0.864 130 T HN -0.040 nan 8.240 nan 0.000 0.427 131 V N 1.607 121.528 119.914 0.011 0.000 2.307 131 V HA -0.094 4.029 4.120 0.005 0.000 0.245 131 V C 2.518 178.617 176.094 0.008 0.000 1.045 131 V CA 1.450 63.766 62.300 0.027 0.000 1.024 131 V CB -0.691 31.159 31.823 0.045 0.000 0.651 131 V HN 0.444 nan 8.190 nan 0.000 0.449 132 L N -0.116 121.099 121.223 -0.013 0.000 2.131 132 L HA -0.208 4.136 4.340 0.005 0.000 0.210 132 L C 2.657 179.500 176.870 -0.045 0.000 1.092 132 L CA 1.539 56.353 54.840 -0.045 0.000 0.759 132 L CB -0.636 41.384 42.059 -0.066 0.000 0.903 132 L HN 0.428 nan 8.230 nan 0.000 0.435 133 Q N 0.805 120.589 119.800 -0.027 0.000 2.020 133 Q HA -0.156 4.187 4.340 0.005 0.000 0.198 133 Q C 2.351 178.342 176.000 -0.015 0.000 0.974 133 Q CA 1.470 57.259 55.803 -0.025 0.000 0.829 133 Q CB -0.094 28.634 28.738 -0.016 0.000 0.894 133 Q HN 0.515 nan 8.270 nan 0.000 0.433 134 L N 0.390 121.614 121.223 0.001 0.000 2.042 134 L HA -0.158 4.185 4.340 0.005 0.000 0.210 134 L C 2.385 179.270 176.870 0.026 0.000 1.076 134 L CA 1.302 56.152 54.840 0.015 0.000 0.749 134 L CB -0.514 41.559 42.059 0.023 0.000 0.893 134 L HN 0.189 nan 8.230 nan 0.000 0.432 135 A N -1.113 121.721 122.820 0.023 0.000 2.208 135 A HA -0.092 4.231 4.320 0.005 0.000 0.209 135 A C 0.984 178.537 177.584 -0.051 0.000 1.161 135 A CA 0.379 52.439 52.037 0.039 0.000 0.782 135 A CB -0.393 18.655 19.000 0.079 0.000 0.816 135 A HN 0.578 nan 8.150 nan 0.000 0.477 136 N N -0.879 117.776 118.700 -0.075 0.000 2.725 136 N HA -0.141 4.602 4.740 0.005 0.000 0.251 136 N C -0.862 174.519 175.510 -0.215 0.000 1.031 136 N CA 0.943 53.917 53.050 -0.126 0.000 0.720 136 N CB -1.612 36.801 38.487 -0.123 0.000 0.930 136 N HN 0.162 nan 8.380 nan 0.000 0.543 137 V N 1.170 120.961 119.914 -0.206 0.000 2.370 137 V HA 0.299 4.422 4.120 0.005 0.000 0.283 137 V C 1.464 177.451 176.094 -0.179 0.000 1.023 137 V CA 0.182 62.321 62.300 -0.269 0.000 0.857 137 V CB 1.575 33.237 31.823 -0.269 0.000 0.985 137 V HN 0.499 nan 8.190 nan 0.000 0.443 138 S N 2.512 118.124 115.700 -0.147 0.000 2.439 138 S HA 0.161 4.634 4.470 0.005 0.000 0.224 138 S C 0.178 174.741 174.600 -0.061 0.000 1.029 138 S CA 0.045 58.195 58.200 -0.082 0.000 0.946 138 S CB 0.115 63.291 63.200 -0.039 0.000 0.797 138 S HN 0.758 nan 8.310 nan 0.000 0.504 139 D N -0.178 120.195 120.400 -0.045 0.000 2.990 139 D HA 0.608 5.252 4.640 0.005 0.000 0.227 139 D C -1.821 174.458 176.300 -0.036 0.000 1.249 139 D CA -0.455 53.589 54.000 0.074 0.000 0.891 139 D CB 2.520 43.548 40.800 0.379 0.000 1.647 139 D HN 0.027 nan 8.370 nan 0.000 0.530 140 V N 2.256 122.088 119.914 -0.136 0.000 2.487 140 V HA 0.403 4.526 4.120 0.005 0.000 0.298 140 V C -0.340 175.738 176.094 -0.026 0.000 1.028 140 V CA -0.771 61.397 62.300 -0.220 0.000 0.860 140 V CB 1.867 33.335 31.823 -0.591 0.000 0.991 140 V HN 0.379 nan 8.190 nan 0.000 0.427 141 V N 6.557 126.442 119.914 -0.048 0.000 2.432 141 V HA 0.409 4.532 4.120 0.005 0.000 0.275 141 V C 0.394 176.430 176.094 -0.096 0.000 1.043 141 V CA -0.215 62.067 62.300 -0.029 0.000 0.925 141 V CB 1.233 32.970 31.823 -0.143 0.000 0.985 141 V HN 0.810 nan 8.190 nan 0.000 0.466 142 M N 2.779 122.339 119.600 -0.067 0.000 2.245 142 M HA 0.403 4.886 4.480 0.005 0.000 0.292 142 M C 0.108 176.283 176.300 -0.208 0.000 1.176 142 M CA -0.171 55.014 55.300 -0.193 0.000 1.035 142 M CB 1.031 33.550 32.600 -0.136 0.000 1.440 142 M HN 0.484 nan 8.290 nan 0.000 0.494 143 T N 1.628 116.001 114.554 -0.301 0.000 2.788 143 T HA 0.398 4.751 4.350 0.005 0.000 0.296 143 T C -0.969 173.774 174.700 0.072 0.000 1.009 143 T CA -0.725 61.292 62.100 -0.138 0.000 0.949 143 T CB -0.078 68.608 68.868 -0.302 0.000 0.946 143 T HN 0.528 nan 8.240 nan 0.000 0.453 144 N N 2.587 121.374 118.700 0.145 0.000 2.443 144 N HA 0.397 5.141 4.740 0.005 0.000 0.269 144 N C -1.370 174.214 175.510 0.123 0.000 0.985 144 N CA -0.789 52.438 53.050 0.297 0.000 0.921 144 N CB 1.329 40.010 38.487 0.323 0.000 1.195 144 N HN 0.423 nan 8.380 nan 0.000 0.492 145 D N 2.653 123.162 120.400 0.182 0.000 2.460 145 D HA 0.224 4.867 4.640 0.005 0.000 0.232 145 D C -1.907 174.347 176.300 -0.076 0.000 1.079 145 D CA -2.437 51.627 54.000 0.107 0.000 0.864 145 D CB 1.456 42.404 40.800 0.247 0.000 1.048 145 D HN 0.286 nan 8.370 nan 0.000 0.523 146 P HA -0.007 nan 4.420 nan 0.000 0.242 146 P C 0.842 177.782 177.300 -0.599 0.000 1.197 146 P CA 0.256 62.764 63.100 -0.987 0.000 0.765 146 P CB -0.070 30.241 31.700 -2.315 0.000 0.936 147 F N 0.267 120.231 119.950 0.023 0.000 2.743 147 F HA 0.119 4.649 4.527 0.005 0.000 0.297 147 F C 1.023 176.953 175.800 0.218 0.000 1.131 147 F CA 0.044 58.196 58.000 0.254 0.000 1.426 147 F CB -0.515 38.620 39.000 0.225 0.000 1.116 147 F HN -0.088 nan 8.300 nan 0.000 0.583 148 D N 0.082 120.638 120.400 0.259 0.000 2.295 148 D HA 0.050 4.693 4.640 0.005 0.000 0.248 148 D C 0.746 177.148 176.300 0.170 0.000 1.154 148 D CA -0.046 54.081 54.000 0.211 0.000 0.857 148 D CB 0.684 41.596 40.800 0.187 0.000 1.117 148 D HN -0.092 nan 8.370 nan 0.000 0.468 149 D N 2.598 123.105 120.400 0.178 0.000 2.117 149 D HA -0.186 4.458 4.640 0.005 0.000 0.197 149 D C 1.482 177.842 176.300 0.100 0.000 0.987 149 D CA 0.878 54.975 54.000 0.161 0.000 0.829 149 D CB -0.126 40.770 40.800 0.160 0.000 0.961 149 D HN 0.481 nan 8.370 nan 0.000 0.460 150 N N 0.856 119.597 118.700 0.069 0.000 2.043 150 N HA -0.171 4.572 4.740 0.005 0.000 0.193 150 N C 1.491 176.996 175.510 -0.008 0.000 1.037 150 N CA 1.394 54.453 53.050 0.016 0.000 0.851 150 N CB 0.006 38.489 38.487 -0.007 0.000 1.027 150 N HN 0.191 nan 8.380 nan 0.000 0.422 151 E N -0.107 120.110 120.200 0.027 0.000 2.085 151 E HA -0.231 4.122 4.350 0.005 0.000 0.194 151 E C 2.097 178.791 176.600 0.157 0.000 0.994 151 E CA 0.737 57.176 56.400 0.065 0.000 0.801 151 E CB -0.166 29.648 29.700 0.189 0.000 0.743 151 E HN 0.360 nan 8.360 nan 0.000 0.453 152 R N 0.932 121.532 120.500 0.165 0.000 2.127 152 R HA -0.172 4.171 4.340 0.005 0.000 0.238 152 R C 2.252 178.670 176.300 0.197 0.000 1.134 152 R CA 1.025 57.258 56.100 0.221 0.000 0.975 152 R CB -0.211 30.155 30.300 0.110 0.000 0.865 152 R HN 0.169 nan 8.270 nan 0.000 0.447 153 I N 0.379 120.986 120.570 0.062 0.000 2.099 153 I HA -0.350 3.823 4.170 0.005 0.000 0.239 153 I C 2.626 178.677 176.117 -0.109 0.000 1.066 153 I CA 1.812 63.103 61.300 -0.015 0.000 1.324 153 I CB -0.580 37.390 38.000 -0.049 0.000 1.037 153 I HN 0.327 nan 8.210 nan 0.000 0.401 154 S N 0.311 115.837 115.700 -0.290 0.000 2.374 154 S HA -0.255 4.219 4.470 0.005 0.000 0.227 154 S C 1.839 176.156 174.600 -0.471 0.000 1.037 154 S CA 1.288 59.149 58.200 -0.565 0.000 1.024 154 S CB -0.969 61.534 63.200 -1.163 0.000 0.861 154 S HN 0.531 nan 8.310 nan 0.000 0.456 155 W N 1.327 122.538 121.300 -0.149 0.000 2.358 155 W HA 0.160 4.823 4.660 0.006 0.000 0.303 155 W C 2.388 178.875 176.519 -0.054 0.000 1.208 155 W CA 0.425 57.763 57.345 -0.012 0.000 1.274 155 W CB -0.371 29.235 29.460 0.245 0.000 1.138 155 W HN 0.266 nan 8.180 nan 0.000 0.515 156 L N 0.083 121.408 121.223 0.170 0.000 2.156 156 L HA -0.132 4.211 4.340 0.005 0.000 0.208 156 L C 1.646 178.507 176.870 -0.016 0.000 1.095 156 L CA 1.170 56.031 54.840 0.036 0.000 0.770 156 L CB -0.764 41.310 42.059 0.026 0.000 0.914 156 L HN 0.041 nan 8.230 nan 0.000 0.439 157 E N 0.477 120.649 120.200 -0.047 0.000 2.438 157 E HA 0.014 4.367 4.350 0.005 0.000 0.192 157 E C 1.298 177.850 176.600 -0.079 0.000 1.110 157 E CA 0.465 56.821 56.400 -0.074 0.000 0.893 157 E CB -0.096 29.542 29.700 -0.104 0.000 0.990 157 E HN 0.543 nan 8.360 nan 0.000 0.490 158 G N 2.388 111.159 108.800 -0.049 0.000 2.187 158 G HA2 -0.343 3.620 3.960 0.005 0.000 0.261 158 G HA3 -0.343 3.620 3.960 0.005 0.000 0.261 158 G C 0.242 175.104 174.900 -0.062 0.000 1.000 158 G CA 0.223 45.307 45.100 -0.027 0.000 0.718 158 G HN 0.194 nan 8.290 nan 0.000 0.519 159 K N 0.272 120.569 120.400 -0.172 0.000 2.412 159 K HA 0.212 4.536 4.320 0.005 0.000 0.281 159 K C 0.308 176.780 176.600 -0.213 0.000 1.027 159 K CA 0.229 56.366 56.287 -0.250 0.000 0.989 159 K CB 0.344 32.551 32.500 -0.489 0.000 0.935 159 K HN 0.204 nan 8.250 nan 0.000 0.475 160 Q N 3.306 123.067 119.800 -0.065 0.000 2.306 160 Q HA 0.393 4.736 4.340 0.005 0.000 0.265 160 Q C -2.230 173.830 176.000 0.100 0.000 1.022 160 Q CA -2.203 53.626 55.803 0.044 0.000 0.853 160 Q CB 1.462 30.246 28.738 0.078 0.000 1.327 160 Q HN 0.460 nan 8.270 nan 0.000 0.449 161 P HA -0.053 nan 4.420 nan 0.000 0.271 161 P C -0.104 177.210 177.300 0.024 0.000 1.218 161 P CA -0.291 62.834 63.100 0.041 0.000 0.780 161 P CB 0.690 32.390 31.700 -0.001 0.000 0.901 162 D N 1.523 121.912 120.400 -0.018 0.000 2.601 162 D HA -0.106 4.538 4.640 0.005 0.000 0.229 162 D C 1.146 177.486 176.300 0.068 0.000 1.140 162 D CA 0.589 54.610 54.000 0.035 0.000 0.862 162 D CB 0.715 41.531 40.800 0.026 0.000 1.192 162 D HN 0.346 nan 8.370 nan 0.000 0.480 163 S N 3.563 119.278 115.700 0.024 0.000 2.500 163 S HA -0.134 4.339 4.470 0.005 0.000 0.239 163 S C 1.579 176.115 174.600 -0.107 0.000 0.989 163 S CA 0.541 58.716 58.200 -0.041 0.000 0.951 163 S CB -0.078 63.108 63.200 -0.024 0.000 0.759 163 S HN 0.575 nan 8.310 nan 0.000 0.523 164 R N -0.430 120.058 120.500 -0.019 0.000 2.275 164 R HA 0.309 4.652 4.340 0.005 0.000 0.199 164 R C -0.621 175.491 176.300 -0.313 0.000 0.989 164 R CA 0.312 56.342 56.100 -0.117 0.000 1.016 164 R CB -0.005 30.226 30.300 -0.115 0.000 0.918 164 R HN 0.417 nan 8.270 nan 0.000 0.473 165 F N 0.198 119.978 119.950 -0.283 0.000 2.495 165 F HA 0.364 4.894 4.527 0.005 0.000 0.327 165 F C 0.525 176.111 175.800 -0.356 0.000 1.103 165 F CA -0.927 56.937 58.000 -0.227 0.000 0.949 165 F CB 1.394 40.279 39.000 -0.192 0.000 1.142 165 F HN -0.077 nan 8.300 nan 0.000 0.457 166 H N 1.373 120.565 119.070 0.204 0.000 2.572 166 H HA 0.657 5.216 4.556 0.005 0.000 0.359 166 H C -0.579 174.833 175.328 0.140 0.000 1.134 166 H CA -1.017 55.152 56.048 0.201 0.000 1.187 166 H CB 1.969 31.893 29.762 0.270 0.000 1.597 166 H HN 0.745 nan 8.280 nan 0.000 0.524 167 A N 1.592 124.567 122.820 0.259 0.000 2.322 167 A HA 0.668 4.991 4.320 0.005 0.000 0.269 167 A C -0.243 177.309 177.584 -0.053 0.000 1.094 167 A CA -0.167 51.968 52.037 0.163 0.000 0.807 167 A CB 0.375 19.484 19.000 0.182 0.000 1.047 167 A HN 0.765 nan 8.150 nan 0.000 0.487 168 A N 1.315 124.048 122.820 -0.146 0.000 2.398 168 A HA 0.575 4.898 4.320 0.005 0.000 0.301 168 A C -0.947 176.546 177.584 -0.151 0.000 1.041 168 A CA -0.514 51.325 52.037 -0.330 0.000 0.711 168 A CB 0.973 19.563 19.000 -0.684 0.000 1.240 168 A HN 1.485 nan 8.150 nan 0.000 0.420 169 L N 2.668 123.818 121.223 -0.122 0.000 2.295 169 L HA 0.393 4.737 4.340 0.005 0.000 0.288 169 L C 0.624 177.510 176.870 0.027 0.000 1.079 169 L CA 0.078 54.867 54.840 -0.085 0.000 0.830 169 L CB 0.201 42.198 42.059 -0.104 0.000 1.200 169 L HN 0.715 nan 8.230 nan 0.000 0.438 170 R N 5.022 125.555 120.500 0.056 0.000 2.298 170 R HA 0.289 4.632 4.340 0.005 0.000 0.310 170 R C -0.164 176.260 176.300 0.207 0.000 1.068 170 R CA -0.176 56.012 56.100 0.146 0.000 0.957 170 R CB 0.462 30.865 30.300 0.172 0.000 1.003 170 R HN 0.886 nan 8.270 nan 0.000 0.454 171 L N 3.872 125.229 121.223 0.222 0.000 2.959 171 L HA 0.149 4.493 4.340 0.005 0.000 0.259 171 L C 0.523 177.494 176.870 0.170 0.000 1.185 171 L CA -0.265 54.735 54.840 0.267 0.000 0.998 171 L CB 0.541 42.744 42.059 0.239 0.000 1.337 171 L HN 0.643 nan 8.230 nan 0.000 0.555 172 D N 1.350 121.830 120.400 0.133 0.000 2.133 172 D HA -0.181 4.462 4.640 0.005 0.000 0.192 172 D C -0.710 175.558 176.300 -0.054 0.000 1.001 172 D CA 1.582 55.622 54.000 0.067 0.000 0.844 172 D CB -1.117 39.740 40.800 0.096 0.000 0.944 172 D HN 0.223 nan 8.370 nan 0.000 0.447 173 P HA -0.093 nan 4.420 nan 0.000 0.217 173 P C 1.572 178.599 177.300 -0.455 0.000 1.150 173 P CA 0.619 63.440 63.100 -0.465 0.000 0.832 173 P CB 0.077 31.175 31.700 -1.002 0.000 0.787 174 L N -1.458 119.503 121.223 -0.436 0.000 2.027 174 L HA -0.107 4.236 4.340 0.005 0.000 0.206 174 L C 1.927 178.820 176.870 0.038 0.000 1.074 174 L CA 2.016 56.803 54.840 -0.089 0.000 0.745 174 L CB -1.233 40.920 42.059 0.156 0.000 0.898 174 L HN -0.140 nan 8.230 nan 0.000 0.433 175 L N -0.395 120.846 121.223 0.030 0.000 2.162 175 L HA 0.009 4.352 4.340 0.005 0.000 0.205 175 L C 2.070 178.966 176.870 0.043 0.000 1.086 175 L CA 1.234 56.096 54.840 0.037 0.000 0.778 175 L CB -1.103 41.009 42.059 0.088 0.000 0.928 175 L HN 0.333 nan 8.230 nan 0.000 0.446 176 N N -0.573 118.151 118.700 0.040 0.000 2.405 176 N HA 0.010 4.753 4.740 0.005 0.000 0.175 176 N C 0.409 175.939 175.510 0.033 0.000 1.051 176 N CA 0.433 53.513 53.050 0.050 0.000 0.899 176 N CB 0.322 38.842 38.487 0.055 0.000 1.000 176 N HN 0.396 nan 8.380 nan 0.000 0.451 177 E N -0.704 119.499 120.200 0.005 0.000 3.306 177 E HA 0.062 4.415 4.350 0.005 0.000 0.197 177 E C -0.058 176.533 176.600 -0.014 0.000 0.980 177 E CA -0.251 56.140 56.400 -0.015 0.000 1.259 177 E CB 0.259 29.921 29.700 -0.064 0.000 1.112 177 E HN 0.152 nan 8.360 nan 0.000 0.458 178 Y N 2.209 122.447 120.300 -0.103 0.000 2.151 178 Y HA -0.272 4.281 4.550 0.004 0.000 0.284 178 Y C 2.049 177.885 175.900 -0.106 0.000 1.166 178 Y CA 1.799 59.833 58.100 -0.111 0.000 1.163 178 Y CB 0.346 38.745 38.460 -0.101 0.000 0.974 178 Y HN 0.062 nan 8.280 nan 0.000 0.511 179 E N 0.158 120.318 120.200 -0.067 0.000 2.118 179 E HA -0.243 4.110 4.350 0.005 0.000 0.195 179 E C 1.986 178.482 176.600 -0.173 0.000 0.992 179 E CA 1.856 58.173 56.400 -0.138 0.000 0.804 179 E CB -0.257 29.442 29.700 -0.003 0.000 0.741 179 E HN 0.680 nan 8.360 nan 0.000 0.458 180 Q N -0.729 119.013 119.800 -0.096 0.000 2.163 180 Q HA 0.039 4.382 4.340 0.005 0.000 0.198 180 Q C 2.097 178.038 176.000 -0.097 0.000 0.954 180 Q CA 1.320 57.115 55.803 -0.014 0.000 0.851 180 Q CB -0.203 28.529 28.738 -0.010 0.000 0.928 180 Q HN 0.096 nan 8.270 nan 0.000 0.459 181 T N 1.755 116.175 114.554 -0.224 0.000 2.951 181 T HA -0.095 4.258 4.350 0.005 0.000 0.268 181 T C 1.530 176.018 174.700 -0.353 0.000 1.073 181 T CA 1.163 63.108 62.100 -0.258 0.000 1.134 181 T CB -0.107 68.583 68.868 -0.297 0.000 0.884 181 T HN 0.419 nan 8.240 nan 0.000 0.479 182 K N 1.153 121.171 120.400 -0.636 0.000 2.152 182 K HA -0.214 4.109 4.320 0.005 0.000 0.206 182 K C 1.731 178.051 176.600 -0.466 0.000 1.048 182 K CA 1.531 57.399 56.287 -0.699 0.000 0.933 182 K CB -0.525 31.364 32.500 -1.019 0.000 0.721 182 K HN 0.405 nan 8.250 nan 0.000 0.447 183 H N 1.383 120.321 119.070 -0.221 0.000 2.387 183 H HA 0.011 4.570 4.556 0.005 0.000 0.299 183 H C 2.220 177.411 175.328 -0.228 0.000 1.090 183 H CA 1.458 57.402 56.048 -0.174 0.000 1.332 183 H CB -0.117 29.556 29.762 -0.147 0.000 1.386 183 H HN 0.344 nan 8.280 nan 0.000 0.516 184 R N 0.382 120.748 120.500 -0.224 0.000 2.092 184 R HA -0.012 4.331 4.340 0.005 0.000 0.231 184 R C 2.642 178.559 176.300 -0.638 0.000 1.119 184 R CA 0.620 56.380 56.100 -0.566 0.000 0.970 184 R CB -0.241 29.661 30.300 -0.664 0.000 0.864 184 R HN 0.203 nan 8.270 nan 0.000 0.440 185 L N 0.414 121.490 121.223 -0.245 0.000 2.042 185 L HA -0.189 4.154 4.340 0.005 0.000 0.210 185 L C 2.663 179.663 176.870 0.217 0.000 1.076 185 L CA 1.511 56.428 54.840 0.128 0.000 0.749 185 L CB -0.404 41.704 42.059 0.082 0.000 0.893 185 L HN 0.159 nan 8.230 nan 0.000 0.432 186 R N -0.052 120.474 120.500 0.044 0.000 2.073 186 R HA -0.168 4.175 4.340 0.005 0.000 0.234 186 R C 1.963 178.297 176.300 0.057 0.000 1.134 186 R CA 1.719 57.859 56.100 0.066 0.000 0.952 186 R CB -0.358 29.959 30.300 0.028 0.000 0.850 186 R HN 0.325 nan 8.270 nan 0.000 0.433 187 D N -0.619 119.762 120.400 -0.032 0.000 2.182 187 D HA -0.194 4.449 4.640 0.005 0.000 0.201 187 D C 1.251 177.618 176.300 0.111 0.000 0.986 187 D CA 0.890 54.869 54.000 -0.035 0.000 0.847 187 D CB -0.135 40.566 40.800 -0.166 0.000 0.942 187 D HN 0.331 nan 8.370 nan 0.000 0.467 188 W N 0.197 121.601 121.300 0.172 0.000 3.180 188 W HA 0.332 4.995 4.660 0.005 0.000 0.254 188 W C 1.423 177.925 176.519 -0.029 0.000 1.318 188 W CA 0.817 58.272 57.345 0.183 0.000 1.608 188 W CB -0.574 29.151 29.460 0.443 0.000 1.124 188 W HN 0.132 nan 8.180 nan 0.000 0.694 189 G N -0.568 108.312 108.800 0.133 0.000 2.157 189 G HA2 -0.309 3.654 3.960 0.005 0.000 0.239 189 G HA3 -0.309 3.654 3.960 0.005 0.000 0.239 189 G C -0.362 174.440 174.900 -0.163 0.000 0.982 189 G CA -0.392 44.669 45.100 -0.064 0.000 0.650 189 G HN 0.232 nan 8.290 nan 0.000 0.527 190 Y N 1.395 121.824 120.300 0.213 0.000 2.595 190 Y HA 0.479 5.031 4.550 0.005 0.000 0.347 190 Y C 0.807 176.780 175.900 0.122 0.000 1.025 190 Y CA -0.751 57.464 58.100 0.191 0.000 1.295 190 Y CB 0.970 39.593 38.460 0.271 0.000 1.147 190 Y HN -0.119 nan 8.280 nan 0.000 0.515 191 K N 3.734 124.241 120.400 0.179 0.000 2.751 191 K HA 0.155 4.478 4.320 0.005 0.000 0.252 191 K C -0.076 176.587 176.600 0.105 0.000 1.277 191 K CA -0.317 56.036 56.287 0.112 0.000 1.226 191 K CB -0.663 31.876 32.500 0.064 0.000 1.658 191 K HN 0.537 nan 8.250 nan 0.000 0.303 192 V N -0.485 119.508 119.914 0.131 0.000 2.872 192 V HA 0.115 4.238 4.120 0.005 0.000 0.307 192 V C 0.424 176.569 176.094 0.084 0.000 1.072 192 V CA -0.656 61.718 62.300 0.124 0.000 1.148 192 V CB 0.425 32.384 31.823 0.228 0.000 0.954 192 V HN 0.298 nan 8.190 nan 0.000 0.490 193 N N 2.872 121.617 118.700 0.076 0.000 2.434 193 N HA 0.244 4.987 4.740 0.005 0.000 0.266 193 N C 0.614 176.187 175.510 0.104 0.000 1.223 193 N CA -0.369 52.720 53.050 0.065 0.000 0.972 193 N CB 0.810 39.317 38.487 0.032 0.000 1.207 193 N HN 0.765 nan 8.380 nan 0.000 0.525 194 D N 0.089 120.540 120.400 0.085 0.000 2.117 194 D HA -0.126 4.517 4.640 0.005 0.000 0.197 194 D C 0.398 176.783 176.300 0.142 0.000 0.987 194 D CA 1.277 55.337 54.000 0.100 0.000 0.829 194 D CB 0.054 40.899 40.800 0.074 0.000 0.961 194 D HN 0.700 nan 8.370 nan 0.000 0.460 195 E N -0.219 120.053 120.200 0.120 0.000 2.266 195 E HA 0.035 4.388 4.350 0.005 0.000 0.277 195 E C -0.392 176.315 176.600 0.179 0.000 1.018 195 E CA -0.893 55.593 56.400 0.142 0.000 0.840 195 E CB 0.921 30.674 29.700 0.087 0.000 1.082 195 E HN 0.086 nan 8.360 nan 0.000 0.395 196 W N 6.309 127.638 121.300 0.049 0.000 2.581 196 W HA 0.075 4.739 4.660 0.006 0.000 0.359 196 W C -1.121 175.414 176.519 0.027 0.000 1.167 196 W CA -0.214 57.150 57.345 0.032 0.000 1.517 196 W CB 0.055 29.514 29.460 -0.001 0.000 1.519 196 W HN 0.835 nan 8.180 nan 0.000 0.431 197 N N 1.760 120.204 118.700 -0.426 0.000 3.157 197 N HA 0.094 4.837 4.740 0.005 0.000 0.291 197 N C 0.381 175.644 175.510 -0.412 0.000 1.515 197 N CA -0.526 52.336 53.050 -0.313 0.000 0.807 197 N CB 0.339 38.752 38.487 -0.124 0.000 1.672 197 N HN 0.104 nan 8.380 nan 0.000 0.592 198 E N -0.459 119.602 120.200 -0.232 0.000 2.209 198 E HA 0.020 4.373 4.350 0.005 0.000 0.196 198 E C 1.593 178.081 176.600 -0.186 0.000 0.993 198 E CA 1.963 58.248 56.400 -0.191 0.000 0.819 198 E CB -0.902 28.741 29.700 -0.095 0.000 0.745 198 E HN 0.730 nan 8.360 nan 0.000 0.477 199 G N -0.485 108.217 108.800 -0.162 0.000 2.433 199 G HA2 -0.259 3.704 3.960 0.005 0.000 0.216 199 G HA3 -0.259 3.704 3.960 0.005 0.000 0.216 199 G C 1.812 176.627 174.900 -0.141 0.000 1.186 199 G CA 1.011 46.046 45.100 -0.108 0.000 0.779 199 G HN 0.344 nan 8.290 nan 0.000 0.543 200 S N 0.679 116.226 115.700 -0.255 0.000 2.368 200 S HA -0.060 4.413 4.470 0.005 0.000 0.225 200 S C 2.282 176.612 174.600 -0.451 0.000 1.030 200 S CA 1.019 59.035 58.200 -0.307 0.000 0.999 200 S CB -0.237 62.703 63.200 -0.433 0.000 0.844 200 S HN 0.379 nan 8.310 nan 0.000 0.459 201 I N 1.412 121.576 120.570 -0.676 0.000 2.226 201 I HA -0.187 3.987 4.170 0.005 0.000 0.245 201 I C 2.669 178.723 176.117 -0.104 0.000 1.100 201 I CA 1.033 62.069 61.300 -0.441 0.000 1.374 201 I CB -0.335 37.449 38.000 -0.359 0.000 1.057 201 I HN 0.236 nan 8.210 nan 0.000 0.413 202 Q N 0.447 120.200 119.800 -0.080 0.000 2.167 202 Q HA -0.149 4.194 4.340 0.005 0.000 0.202 202 Q C 2.096 178.154 176.000 0.097 0.000 0.970 202 Q CA 1.185 57.000 55.803 0.020 0.000 0.855 202 Q CB -0.226 28.519 28.738 0.012 0.000 0.911 202 Q HN 0.493 nan 8.270 nan 0.000 0.438 203 E N 0.000 120.267 120.200 0.112 0.000 2.107 203 E HA -0.070 4.284 4.350 0.005 0.000 0.191 203 E C 2.203 178.975 176.600 0.286 0.000 0.982 203 E CA 0.557 57.105 56.400 0.247 0.000 0.809 203 E CB -0.051 29.793 29.700 0.239 0.000 0.756 203 E HN 0.115 nan 8.360 nan 0.000 0.459 204 V N 1.851 121.897 119.914 0.221 0.000 2.358 204 V HA -0.232 3.891 4.120 0.005 0.000 0.246 204 V C 2.297 178.538 176.094 0.245 0.000 1.047 204 V CA 1.600 64.055 62.300 0.258 0.000 1.035 204 V CB -0.359 31.663 31.823 0.331 0.000 0.658 204 V HN 0.208 nan 8.190 nan 0.000 0.452 205 K N -0.190 120.321 120.400 0.186 0.000 2.057 205 K HA -0.216 4.107 4.320 0.005 0.000 0.207 205 K C 2.381 179.070 176.600 0.148 0.000 1.049 205 K CA 1.580 57.955 56.287 0.147 0.000 0.931 205 K CB -0.244 32.324 32.500 0.114 0.000 0.714 205 K HN 0.310 nan 8.250 nan 0.000 0.440 206 R N 0.334 120.951 120.500 0.195 0.000 2.075 206 R HA -0.146 4.198 4.340 0.005 0.000 0.232 206 R C 2.199 178.635 176.300 0.227 0.000 1.126 206 R CA 1.197 57.435 56.100 0.230 0.000 0.963 206 R CB -0.294 30.199 30.300 0.320 0.000 0.858 206 R HN 0.126 nan 8.270 nan 0.000 0.435 207 F N 1.233 121.153 119.950 -0.051 0.000 2.095 207 F HA -0.216 4.314 4.527 0.005 0.000 0.298 207 F C 1.734 177.518 175.800 -0.027 0.000 1.104 207 F CA 1.633 59.415 58.000 -0.363 0.000 1.232 207 F CB -0.284 38.381 39.000 -0.557 0.000 0.987 207 F HN -0.016 nan 8.300 nan 0.000 0.475 208 L N -0.579 120.678 121.223 0.056 0.000 2.017 208 L HA -0.248 4.095 4.340 0.005 0.000 0.208 208 L C 2.381 179.167 176.870 -0.140 0.000 1.073 208 L CA 1.937 56.753 54.840 -0.039 0.000 0.745 208 L CB -1.351 40.734 42.059 0.044 0.000 0.894 208 L HN 0.150 nan 8.230 nan 0.000 0.432 209 T N -0.872 113.624 114.554 -0.096 0.000 2.720 209 T HA -0.194 4.159 4.350 0.005 0.000 0.268 209 T C 1.455 176.055 174.700 -0.167 0.000 1.037 209 T CA 1.583 63.604 62.100 -0.132 0.000 1.144 209 T CB -0.299 68.567 68.868 -0.003 0.000 0.864 209 T HN 0.317 nan 8.240 nan 0.000 0.444 210 D N -0.087 120.202 120.400 -0.185 0.000 2.144 210 D HA -0.071 4.572 4.640 0.005 0.000 0.199 210 D C 1.658 177.637 176.300 -0.535 0.000 0.984 210 D CA 0.911 54.713 54.000 -0.330 0.000 0.834 210 D CB -0.264 40.344 40.800 -0.320 0.000 0.955 210 D HN 0.576 nan 8.370 nan 0.000 0.465 211 W N 0.664 121.693 121.300 -0.452 0.000 2.523 211 W HA 0.168 4.831 4.660 0.005 0.000 0.278 211 W C 2.290 178.567 176.519 -0.403 0.000 1.236 211 W CA -0.151 56.889 57.345 -0.509 0.000 1.306 211 W CB -0.159 28.872 29.460 -0.716 0.000 1.101 211 W HN -0.113 nan 8.180 nan 0.000 0.577 212 I N 0.405 120.879 120.570 -0.160 0.000 2.179 212 I HA -0.303 3.870 4.170 0.005 0.000 0.242 212 I C 2.303 178.325 176.117 -0.159 0.000 1.088 212 I CA 1.194 62.381 61.300 -0.189 0.000 1.357 212 I CB -0.419 37.388 38.000 -0.321 0.000 1.051 212 I HN -0.081 nan 8.210 nan 0.000 0.409 213 E N 0.675 120.771 120.200 -0.173 0.000 2.058 213 E HA -0.246 4.107 4.350 0.005 0.000 0.194 213 E C 2.233 178.752 176.600 -0.135 0.000 0.997 213 E CA 1.276 57.598 56.400 -0.130 0.000 0.801 213 E CB -0.472 29.145 29.700 -0.138 0.000 0.746 213 E HN 0.456 nan 8.360 nan 0.000 0.450 214 R N -0.283 120.080 120.500 -0.228 0.000 2.075 214 R HA 0.064 4.408 4.340 0.005 0.000 0.232 214 R C 2.390 178.623 176.300 -0.111 0.000 1.126 214 R CA 1.314 57.294 56.100 -0.200 0.000 0.963 214 R CB -0.005 30.023 30.300 -0.452 0.000 0.858 214 R HN 0.157 nan 8.270 nan 0.000 0.435 215 M N -0.785 118.679 119.600 -0.227 0.000 2.486 215 M HA -0.007 4.476 4.480 0.005 0.000 0.264 215 M C -0.076 176.177 176.300 -0.079 0.000 1.125 215 M CA 0.273 55.347 55.300 -0.376 0.000 1.144 215 M CB 0.439 32.709 32.600 -0.549 0.000 1.353 215 M HN -0.014 nan 8.290 nan 0.000 0.466 216 D N 1.617 121.989 120.400 -0.047 0.000 2.737 216 D HA -0.090 4.553 4.640 0.005 0.000 0.238 216 D C -2.417 173.897 176.300 0.023 0.000 1.157 216 D CA 0.151 54.159 54.000 0.013 0.000 0.694 216 D CB -0.220 40.623 40.800 0.072 0.000 1.021 216 D HN 0.166 nan 8.370 nan 0.000 0.420 217 P HA 0.119 nan 4.420 nan 0.000 0.278 217 P C 1.378 178.660 177.300 -0.029 0.000 1.238 217 P CA -0.367 62.700 63.100 -0.055 0.000 0.794 217 P CB 1.384 33.013 31.700 -0.118 0.000 0.955 218 V N -0.203 119.677 119.914 -0.058 0.000 2.719 218 V HA 0.033 4.156 4.120 0.005 0.000 0.252 218 V C 0.447 176.553 176.094 0.019 0.000 1.065 218 V CA 1.095 63.389 62.300 -0.009 0.000 1.086 218 V CB -1.835 30.028 31.823 0.067 0.000 0.700 218 V HN 0.636 nan 8.190 nan 0.000 0.467 219 Y N -3.050 117.267 120.300 0.029 0.000 2.689 219 Y HA 0.791 5.344 4.550 0.005 0.000 0.333 219 Y C -0.920 174.991 175.900 0.019 0.000 1.208 219 Y CA -2.493 55.612 58.100 0.008 0.000 1.055 219 Y CB 0.958 39.421 38.460 0.005 0.000 1.304 219 Y HN -0.048 nan 8.280 nan 0.000 0.455 220 M N 2.249 122.031 119.600 0.303 0.000 2.404 220 M HA 0.830 5.313 4.480 0.005 0.000 0.338 220 M C -0.617 175.931 176.300 0.414 0.000 1.150 220 M CA -0.844 54.605 55.300 0.248 0.000 1.016 220 M CB 2.086 34.768 32.600 0.138 0.000 1.672 220 M HN 0.923 nan 8.290 nan 0.000 0.448 221 A N 2.313 125.329 122.820 0.326 0.000 2.454 221 A HA 0.940 5.263 4.320 0.005 0.000 0.302 221 A C -1.557 176.142 177.584 0.192 0.000 1.079 221 A CA -0.761 51.416 52.037 0.233 0.000 0.731 221 A CB 2.085 21.221 19.000 0.226 0.000 1.299 221 A HN 0.662 nan 8.150 nan 0.000 0.413 222 V N 0.689 120.637 119.914 0.057 0.000 3.048 222 V HA 0.656 4.780 4.120 0.005 0.000 0.303 222 V C -0.697 175.356 176.094 -0.069 0.000 1.214 222 V CA -0.340 61.994 62.300 0.056 0.000 0.984 222 V CB 2.603 34.511 31.823 0.141 0.000 1.054 222 V HN 1.061 nan 8.190 nan 0.000 0.430 223 S N 6.083 121.794 115.700 0.019 0.000 2.489 223 S HA 0.823 5.297 4.470 0.005 0.000 0.291 223 S C -0.724 173.908 174.600 0.053 0.000 1.151 223 S CA -0.464 57.772 58.200 0.059 0.000 1.082 223 S CB 1.186 64.537 63.200 0.253 0.000 1.019 223 S HN 0.587 nan 8.310 nan 0.000 0.492 224 L N 3.712 124.950 121.223 0.025 0.000 2.371 224 L HA 0.618 4.961 4.340 0.005 0.000 0.262 224 L C -2.382 174.544 176.870 0.093 0.000 1.006 224 L CA -2.444 52.386 54.840 -0.016 0.000 0.818 224 L CB 2.502 44.361 42.059 -0.333 0.000 1.354 224 L HN 0.392 nan 8.230 nan 0.000 0.415 225 P HA 0.273 nan 4.420 nan 0.000 0.278 225 P C -2.502 174.877 177.300 0.132 0.000 1.266 225 P CA -1.752 61.424 63.100 0.126 0.000 0.807 225 P CB 0.641 32.415 31.700 0.124 0.000 1.094 226 P HA -0.089 nan 4.420 nan 0.000 0.222 226 P C 1.200 178.550 177.300 0.084 0.000 1.147 226 P CA 1.795 64.928 63.100 0.055 0.000 0.790 226 P CB -0.634 31.058 31.700 -0.013 0.000 0.780 227 T N -4.858 109.752 114.554 0.094 0.000 3.169 227 T HA 0.048 4.401 4.350 0.005 0.000 0.250 227 T C 0.367 175.130 174.700 0.106 0.000 1.111 227 T CA -0.485 61.660 62.100 0.075 0.000 1.010 227 T CB -1.185 67.715 68.868 0.053 0.000 0.984 227 T HN -0.120 nan 8.240 nan 0.000 0.537 228 F N 4.384 124.350 119.950 0.026 0.000 2.612 228 F HA 0.337 4.867 4.527 0.005 0.000 0.389 228 F C 0.463 176.288 175.800 0.041 0.000 1.055 228 F CA -0.483 57.542 58.000 0.041 0.000 1.232 228 F CB 0.176 39.203 39.000 0.044 0.000 1.044 228 F HN 0.304 nan 8.300 nan 0.000 0.560 229 S N 6.553 121.772 115.700 -0.802 0.000 2.569 229 S HA 0.808 5.281 4.470 0.005 0.000 0.280 229 S C -1.369 172.779 174.600 -0.754 0.000 1.111 229 S CA -0.748 57.052 58.200 -0.666 0.000 0.887 229 S CB 2.069 65.086 63.200 -0.304 0.000 1.095 229 S HN 0.763 nan 8.310 nan 0.000 0.476 230 F N 1.408 120.978 119.950 -0.634 0.000 2.639 230 F HA 0.598 5.128 4.527 0.006 0.000 0.320 230 F C -2.940 172.583 175.800 -0.460 0.000 1.128 230 F CA -1.359 56.371 58.000 -0.450 0.000 1.037 230 F CB 1.711 40.522 39.000 -0.314 0.000 1.288 230 F HN 0.513 nan 8.300 nan 0.000 0.463 231 P HA 0.235 nan 4.420 nan 0.000 0.270 231 P C -1.556 175.286 177.300 -0.763 0.000 1.223 231 P CA 0.086 62.331 63.100 -1.424 0.000 0.785 231 P CB 0.753 31.910 31.700 -0.904 0.000 0.923 232 E N 0.406 120.225 120.200 -0.636 0.000 2.335 232 E HA 0.129 4.483 4.350 0.005 0.000 0.280 232 E C -0.994 175.445 176.600 -0.268 0.000 0.918 232 E CA -0.504 55.688 56.400 -0.347 0.000 0.765 232 E CB 1.136 30.679 29.700 -0.262 0.000 1.218 232 E HN 0.206 nan 8.360 nan 0.000 0.425 233 E N 2.265 122.349 120.200 -0.194 0.000 1.852 233 E HA 0.176 4.529 4.350 0.005 0.000 0.276 233 E C -0.880 175.640 176.600 -0.132 0.000 1.163 233 E CA 0.080 56.389 56.400 -0.151 0.000 1.117 233 E CB 0.322 29.959 29.700 -0.104 0.000 1.124 233 E HN 0.475 nan 8.360 nan 0.000 0.458 234 S N 0.762 116.365 115.700 -0.162 0.000 2.685 234 S HA 0.384 4.858 4.470 0.005 0.000 0.282 234 S C 0.816 175.279 174.600 -0.229 0.000 1.159 234 S CA -0.871 57.245 58.200 -0.140 0.000 0.833 234 S CB 1.160 64.305 63.200 -0.092 0.000 1.151 234 S HN 0.076 nan 8.310 nan 0.000 0.485 235 N N 1.009 119.580 118.700 -0.214 0.000 2.120 235 N HA -0.106 4.637 4.740 0.005 0.000 0.188 235 N C 1.725 177.003 175.510 -0.387 0.000 1.024 235 N CA 1.440 54.256 53.050 -0.391 0.000 0.852 235 N CB -0.643 37.713 38.487 -0.218 0.000 1.003 235 N HN 0.699 nan 8.380 nan 0.000 0.424 236 R N 0.510 120.912 120.500 -0.163 0.000 2.080 236 R HA -0.087 4.256 4.340 0.005 0.000 0.236 236 R C 2.271 178.559 176.300 -0.019 0.000 1.137 236 R CA 1.771 57.839 56.100 -0.053 0.000 0.943 236 R CB -0.694 29.662 30.300 0.095 0.000 0.846 236 R HN 0.232 nan 8.270 nan 0.000 0.431 237 G N 0.400 109.180 108.800 -0.033 0.000 2.469 237 G HA2 -0.288 3.675 3.960 0.005 0.000 0.219 237 G HA3 -0.288 3.675 3.960 0.005 0.000 0.219 237 G C 1.438 176.290 174.900 -0.080 0.000 1.150 237 G CA 0.856 45.942 45.100 -0.024 0.000 0.763 237 G HN 0.329 nan 8.290 nan 0.000 0.561 238 R N -0.348 119.969 120.500 -0.306 0.000 2.073 238 R HA 0.131 4.474 4.340 0.005 0.000 0.229 238 R C 2.629 178.683 176.300 -0.409 0.000 1.120 238 R CA 0.899 56.727 56.100 -0.453 0.000 0.967 238 R CB -0.335 29.377 30.300 -0.978 0.000 0.862 238 R HN 0.378 nan 8.270 nan 0.000 0.436 239 I N 0.681 120.927 120.570 -0.540 0.000 2.252 239 I HA -0.270 3.903 4.170 0.005 0.000 0.245 239 I C 2.236 178.312 176.117 -0.069 0.000 1.102 239 I CA 1.280 62.397 61.300 -0.305 0.000 1.385 239 I CB -0.163 37.622 38.000 -0.357 0.000 1.064 239 I HN 0.121 nan 8.210 nan 0.000 0.414 240 I N 0.283 120.834 120.570 -0.031 0.000 2.142 240 I HA -0.328 3.845 4.170 0.005 0.000 0.240 240 I C 2.815 178.936 176.117 0.006 0.000 1.078 240 I CA 1.434 62.716 61.300 -0.030 0.000 1.343 240 I CB -0.447 37.616 38.000 0.104 0.000 1.046 240 I HN 0.213 nan 8.210 nan 0.000 0.405 241 R N 0.841 121.461 120.500 0.199 0.000 2.073 241 R HA -0.187 4.156 4.340 0.005 0.000 0.234 241 R C 1.588 177.997 176.300 0.181 0.000 1.134 241 R CA 2.102 58.353 56.100 0.252 0.000 0.952 241 R CB -0.081 30.406 30.300 0.311 0.000 0.850 241 R HN 0.307 nan 8.270 nan 0.000 0.433 242 D N -1.167 119.356 120.400 0.206 0.000 2.327 242 D HA 0.027 4.670 4.640 0.005 0.000 0.205 242 D C 1.362 177.786 176.300 0.208 0.000 0.989 242 D CA 0.560 54.716 54.000 0.260 0.000 0.873 242 D CB 0.381 41.456 40.800 0.459 0.000 0.955 242 D HN 0.301 nan 8.370 nan 0.000 0.515 243 C N -0.590 118.811 119.300 0.169 0.000 2.503 243 C HA 0.276 4.739 4.460 0.005 0.000 0.344 243 C C 2.511 177.515 174.990 0.023 0.000 1.610 243 C CA -0.439 58.656 59.018 0.127 0.000 2.351 243 C CB -0.608 27.248 27.740 0.194 0.000 2.044 243 C HN 0.192 nan 8.230 nan 0.000 0.680 244 L N 1.188 122.374 121.223 -0.062 0.000 1.994 244 L HA -0.126 4.217 4.340 0.005 0.000 0.208 244 L C 2.404 179.128 176.870 -0.243 0.000 1.071 244 L CA 1.846 56.561 54.840 -0.208 0.000 0.745 244 L CB -0.414 41.399 42.059 -0.410 0.000 0.892 244 L HN 0.360 nan 8.230 nan 0.000 0.431 245 L N -0.520 120.554 121.223 -0.248 0.000 1.994 245 L HA -0.150 4.193 4.340 0.005 0.000 0.208 245 L C -0.232 176.587 176.870 -0.085 0.000 1.071 245 L CA 1.298 55.995 54.840 -0.238 0.000 0.745 245 L CB -1.977 39.863 42.059 -0.365 0.000 0.892 245 L HN 0.259 nan 8.230 nan 0.000 0.431 246 P HA -0.121 nan 4.420 nan 0.000 0.216 246 P C 1.974 179.301 177.300 0.046 0.000 1.153 246 P CA 1.099 64.227 63.100 0.047 0.000 0.848 246 P CB 0.049 31.795 31.700 0.076 0.000 0.787 247 V N 0.338 120.278 119.914 0.042 0.000 2.295 247 V HA -0.270 3.854 4.120 0.005 0.000 0.246 247 V C 2.509 178.674 176.094 0.119 0.000 1.049 247 V CA 2.298 64.657 62.300 0.099 0.000 1.024 247 V CB -1.755 30.091 31.823 0.039 0.000 0.648 247 V HN 0.101 nan 8.190 nan 0.000 0.447 248 A N -0.433 122.378 122.820 -0.015 0.000 1.908 248 A HA -0.305 4.019 4.320 0.005 0.000 0.218 248 A C 2.297 179.872 177.584 -0.016 0.000 1.181 248 A CA 2.192 54.201 52.037 -0.046 0.000 0.627 248 A CB -0.533 18.368 19.000 -0.165 0.000 0.818 248 A HN 0.658 nan 8.150 nan 0.000 0.445 249 E N -0.185 120.003 120.200 -0.020 0.000 2.031 249 E HA -0.259 4.094 4.350 0.005 0.000 0.193 249 E C 2.094 178.688 176.600 -0.010 0.000 0.994 249 E CA 1.559 57.950 56.400 -0.015 0.000 0.800 249 E CB -0.185 29.525 29.700 0.017 0.000 0.752 249 E HN 0.602 nan 8.360 nan 0.000 0.447 250 K N -0.488 119.915 120.400 0.005 0.000 2.074 250 K HA -0.211 4.112 4.320 0.005 0.000 0.209 250 K C 1.547 178.024 176.600 -0.206 0.000 1.048 250 K CA 1.989 58.224 56.287 -0.086 0.000 0.926 250 K CB -0.144 32.302 32.500 -0.089 0.000 0.713 250 K HN 0.265 nan 8.250 nan 0.000 0.444 251 H N -0.385 118.662 119.070 -0.039 0.000 2.539 251 H HA 0.167 4.726 4.556 0.005 0.000 0.269 251 H C -0.212 175.084 175.328 -0.054 0.000 0.980 251 H CA 0.484 56.507 56.048 -0.041 0.000 1.152 251 H CB -0.010 29.729 29.762 -0.040 0.000 1.407 251 H HN 0.339 nan 8.280 nan 0.000 0.564 252 N N 0.987 119.694 118.700 0.010 0.000 2.714 252 N HA -0.165 4.578 4.740 0.005 0.000 0.252 252 N C -1.081 174.396 175.510 -0.054 0.000 1.014 252 N CA -0.287 52.735 53.050 -0.047 0.000 0.735 252 N CB -0.626 37.824 38.487 -0.062 0.000 0.924 252 N HN 0.128 nan 8.380 nan 0.000 0.540 253 I N 1.242 121.792 120.570 -0.034 0.000 2.378 253 I HA 0.429 4.603 4.170 0.005 0.000 0.291 253 I C -1.935 174.140 176.117 -0.070 0.000 0.992 253 I CA -2.380 58.900 61.300 -0.033 0.000 1.154 253 I CB 0.962 38.961 38.000 -0.001 0.000 1.315 253 I HN 0.009 nan 8.210 nan 0.000 0.448 254 P HA 0.139 nan 4.420 nan 0.000 0.272 254 P C -0.734 176.609 177.300 0.071 0.000 1.230 254 P CA -0.173 62.887 63.100 -0.065 0.000 0.788 254 P CB 0.521 32.222 31.700 0.001 0.000 0.949 255 F N 1.746 121.562 119.950 -0.224 0.000 2.388 255 F HA 0.609 5.139 4.527 0.006 0.000 0.358 255 F C -0.536 175.215 175.800 -0.082 0.000 1.122 255 F CA -1.817 56.095 58.000 -0.147 0.000 1.056 255 F CB 0.215 39.062 39.000 -0.256 0.000 1.155 255 F HN 0.304 nan 8.300 nan 0.000 0.461 256 A N 8.164 130.886 122.820 -0.163 0.000 2.274 256 A HA 0.678 5.001 4.320 0.005 0.000 0.309 256 A C -0.611 176.645 177.584 -0.546 0.000 1.226 256 A CA -0.600 51.197 52.037 -0.399 0.000 0.853 256 A CB 0.180 18.790 19.000 -0.651 0.000 1.146 256 A HN 0.797 nan 8.150 nan 0.000 0.518 257 M N 3.501 122.782 119.600 -0.533 0.000 2.114 257 M HA 0.389 4.872 4.480 0.005 0.000 0.332 257 M C -0.793 175.235 176.300 -0.452 0.000 1.014 257 M CA 0.279 55.229 55.300 -0.583 0.000 0.956 257 M CB 1.508 33.718 32.600 -0.651 0.000 1.551 257 M HN 0.611 nan 8.290 nan 0.000 0.427 258 M N 5.432 124.753 119.600 -0.464 0.000 2.055 258 M HA 0.515 4.999 4.480 0.005 0.000 0.346 258 M C -1.021 175.155 176.300 -0.207 0.000 1.074 258 M CA -0.223 54.687 55.300 -0.650 0.000 1.009 258 M CB 0.694 32.631 32.600 -1.105 0.000 1.423 258 M HN 0.602 nan 8.290 nan 0.000 0.410 259 I N 1.516 122.077 120.570 -0.014 0.000 2.404 259 I HA 0.648 4.821 4.170 0.005 0.000 0.293 259 I C 0.901 177.170 176.117 0.254 0.000 0.992 259 I CA -0.239 61.109 61.300 0.079 0.000 1.149 259 I CB 1.912 39.889 38.000 -0.038 0.000 1.315 259 I HN 0.966 nan 8.210 nan 0.000 0.446 260 G N 3.989 112.900 108.800 0.186 0.000 2.273 260 G HA2 -0.168 3.796 3.960 0.005 0.000 0.162 260 G HA3 -0.168 3.796 3.960 0.005 0.000 0.162 260 G C -0.292 174.596 174.900 -0.019 0.000 1.006 260 G CA -0.270 44.871 45.100 0.069 0.000 0.704 260 G HN 0.496 nan 8.290 nan 0.000 0.487 261 V N 1.469 121.427 119.914 0.072 0.000 2.461 261 V HA 0.656 4.779 4.120 0.005 0.000 0.275 261 V C 0.372 176.496 176.094 0.050 0.000 1.047 261 V CA -0.372 61.932 62.300 0.007 0.000 0.955 261 V CB 1.329 33.272 31.823 0.199 0.000 0.988 261 V HN 0.234 nan 8.190 nan 0.000 0.471 262 K N 6.485 126.886 120.400 0.003 0.000 2.292 262 K HA 0.359 4.682 4.320 0.005 0.000 0.270 262 K C -0.342 176.334 176.600 0.127 0.000 1.062 262 K CA -0.721 55.606 56.287 0.067 0.000 0.916 262 K CB 0.423 32.960 32.500 0.062 0.000 1.166 262 K HN 0.556 nan 8.250 nan 0.000 0.458 263 K N 3.247 123.727 120.400 0.133 0.000 2.350 263 K HA 0.097 4.420 4.320 0.005 0.000 0.279 263 K C 0.007 176.687 176.600 0.133 0.000 1.027 263 K CA -0.109 56.268 56.287 0.149 0.000 0.969 263 K CB 0.739 33.322 32.500 0.137 0.000 0.954 263 K HN 0.542 nan 8.250 nan 0.000 0.474 264 R N 0.417 121.003 120.500 0.144 0.000 3.333 264 R HA -0.131 4.213 4.340 0.005 0.000 0.256 264 R C 1.028 177.396 176.300 0.114 0.000 1.010 264 R CA 0.845 57.020 56.100 0.126 0.000 0.680 264 R CB -2.946 27.415 30.300 0.100 0.000 1.102 264 R HN 0.658 nan 8.270 nan 0.000 0.440 265 V N -3.050 116.935 119.914 0.119 0.000 2.626 265 V HA -0.076 4.048 4.120 0.005 0.000 0.252 265 V C 1.108 177.241 176.094 0.064 0.000 1.067 265 V CA 1.891 64.229 62.300 0.064 0.000 1.081 265 V CB -0.310 31.519 31.823 0.010 0.000 0.686 265 V HN 0.556 nan 8.190 nan 0.000 0.468 266 H N 0.472 119.546 119.070 0.007 0.000 2.541 266 H HA 0.401 4.960 4.556 0.005 0.000 0.246 266 H C -2.143 173.218 175.328 0.056 0.000 1.341 266 H CA -2.096 53.959 56.048 0.012 0.000 1.469 266 H CB 1.830 31.588 29.762 -0.007 0.000 1.472 266 H HN 0.139 nan 8.280 nan 0.000 0.503 267 P HA -0.207 nan 4.420 nan 0.000 0.216 267 P C 1.349 178.745 177.300 0.159 0.000 1.150 267 P CA 1.754 64.952 63.100 0.163 0.000 0.843 267 P CB 0.221 31.994 31.700 0.120 0.000 0.787 268 A N -0.950 122.014 122.820 0.240 0.000 2.070 268 A HA -0.110 4.213 4.320 0.005 0.000 0.220 268 A C 2.032 179.750 177.584 0.223 0.000 1.159 268 A CA 1.068 53.232 52.037 0.211 0.000 0.656 268 A CB -1.448 17.712 19.000 0.267 0.000 0.800 268 A HN 0.164 nan 8.150 nan 0.000 0.453 269 L N -1.354 119.894 121.223 0.042 0.000 2.554 269 L HA 0.127 4.470 4.340 0.005 0.000 0.226 269 L C 1.867 178.893 176.870 0.260 0.000 1.137 269 L CA 0.315 55.228 54.840 0.122 0.000 0.863 269 L CB -0.933 41.047 42.059 -0.132 0.000 0.985 269 L HN 0.629 nan 8.230 nan 0.000 0.451 270 G N 0.979 109.850 108.800 0.119 0.000 2.611 270 G HA2 -0.422 3.541 3.960 0.005 0.000 0.301 270 G HA3 -0.422 3.541 3.960 0.005 0.000 0.301 270 G C 0.532 175.464 174.900 0.053 0.000 1.233 270 G CA 0.499 45.610 45.100 0.019 0.000 0.993 270 G HN 0.278 nan 8.290 nan 0.000 0.553 271 D N 0.915 121.319 120.400 0.006 0.000 2.228 271 D HA 0.071 4.714 4.640 0.005 0.000 0.203 271 D C 2.515 178.737 176.300 -0.130 0.000 0.988 271 D CA 2.024 55.941 54.000 -0.139 0.000 0.864 271 D CB -0.568 40.074 40.800 -0.263 0.000 0.928 271 D HN 0.913 nan 8.370 nan 0.000 0.469 272 A N -0.063 122.840 122.820 0.138 0.000 2.278 272 A HA 0.325 4.648 4.320 0.005 0.000 0.212 272 A C 1.911 179.622 177.584 0.211 0.000 1.213 272 A CA 0.719 52.924 52.037 0.280 0.000 0.840 272 A CB -0.140 19.035 19.000 0.291 0.000 0.866 272 A HN 0.218 nan 8.150 nan 0.000 0.489 273 G N -0.737 108.166 108.800 0.172 0.000 3.337 273 G HA2 0.265 4.229 3.960 0.005 0.000 0.246 273 G HA3 0.265 4.229 3.960 0.005 0.000 0.246 273 G C -0.469 174.548 174.900 0.195 0.000 1.131 273 G CA -0.160 45.035 45.100 0.158 0.000 0.773 273 G HN 0.288 nan 8.290 nan 0.000 0.544 274 D N -0.057 120.501 120.400 0.263 0.000 2.210 274 D HA 0.528 5.171 4.640 0.005 0.000 0.249 274 D C -0.736 175.705 176.300 0.236 0.000 1.062 274 D CA -0.366 53.791 54.000 0.261 0.000 0.891 274 D CB 2.057 43.086 40.800 0.382 0.000 1.186 274 D HN -0.022 nan 8.370 nan 0.000 0.432 275 F N 1.349 121.262 119.950 -0.061 0.000 2.732 275 F HA 0.672 5.202 4.527 0.005 0.000 0.394 275 F C -0.949 174.719 175.800 -0.219 0.000 1.194 275 F CA -1.237 56.642 58.000 -0.201 0.000 1.127 275 F CB 1.001 39.908 39.000 -0.155 0.000 1.470 275 F HN 0.093 nan 8.300 nan 0.000 0.505 276 V N 0.490 119.755 119.914 -1.082 0.000 3.007 276 V HA 0.918 5.041 4.120 0.005 0.000 0.311 276 V C -0.902 174.667 176.094 -0.875 0.000 1.120 276 V CA 0.015 61.822 62.300 -0.822 0.000 0.980 276 V CB 1.732 33.153 31.823 -0.670 0.000 1.033 276 V HN 1.103 nan 8.190 nan 0.000 0.429 277 G N 2.962 111.495 108.800 -0.445 0.000 2.718 277 G HA2 0.452 4.416 3.960 0.005 0.000 0.295 277 G HA3 0.452 4.416 3.960 0.005 0.000 0.295 277 G C -1.570 173.226 174.900 -0.173 0.000 1.421 277 G CA -0.857 44.058 45.100 -0.308 0.000 0.902 277 G HN 0.870 nan 8.290 nan 0.000 0.501 278 K N 0.390 120.711 120.400 -0.132 0.000 2.401 278 K HA 0.542 4.865 4.320 0.005 0.000 0.278 278 K C 0.354 176.935 176.600 -0.031 0.000 1.018 278 K CA -0.090 56.155 56.287 -0.070 0.000 0.981 278 K CB 0.699 33.163 32.500 -0.060 0.000 0.933 278 K HN 0.629 nan 8.250 nan 0.000 0.477 279 A N 2.686 125.506 122.820 0.000 0.000 2.299 279 A HA 0.323 4.646 4.320 0.005 0.000 0.332 279 A C -0.504 177.100 177.584 0.032 0.000 1.131 279 A CA -0.622 51.437 52.037 0.036 0.000 0.844 279 A CB 1.456 20.506 19.000 0.082 0.000 1.251 279 A HN 0.708 nan 8.150 nan 0.000 0.486 280 S N 0.331 116.053 115.700 0.037 0.000 2.564 280 S HA 0.238 4.711 4.470 0.005 0.000 0.278 280 S C 1.037 175.665 174.600 0.047 0.000 1.333 280 S CA -0.456 57.761 58.200 0.028 0.000 1.048 280 S CB 0.044 63.249 63.200 0.008 0.000 0.900 280 S HN 0.500 nan 8.310 nan 0.000 0.505 281 M N 2.928 122.551 119.600 0.038 0.000 2.595 281 M HA 0.053 4.537 4.480 0.005 0.000 0.248 281 M C 0.902 177.229 176.300 0.046 0.000 1.119 281 M CA 0.505 55.831 55.300 0.043 0.000 1.079 281 M CB -1.366 31.256 32.600 0.036 0.000 1.472 281 M HN 0.580 nan 8.290 nan 0.000 0.501 282 D N 0.771 121.193 120.400 0.037 0.000 2.123 282 D HA -0.099 4.544 4.640 0.005 0.000 0.196 282 D C 2.095 178.429 176.300 0.057 0.000 0.992 282 D CA 1.655 55.679 54.000 0.040 0.000 0.833 282 D CB -0.448 40.360 40.800 0.014 0.000 0.954 282 D HN 0.424 nan 8.370 nan 0.000 0.455 283 G N 0.443 109.259 108.800 0.026 0.000 2.418 283 G HA2 -0.190 3.773 3.960 0.005 0.000 0.217 283 G HA3 -0.190 3.773 3.960 0.005 0.000 0.217 283 G C 1.819 176.791 174.900 0.120 0.000 1.158 283 G CA 0.824 45.949 45.100 0.041 0.000 0.771 283 G HN 0.256 nan 8.290 nan 0.000 0.545 284 V N 0.602 120.568 119.914 0.086 0.000 2.379 284 V HA -0.120 4.004 4.120 0.005 0.000 0.245 284 V C 2.536 178.531 176.094 -0.166 0.000 1.044 284 V CA 1.995 64.266 62.300 -0.048 0.000 1.036 284 V CB -0.318 31.480 31.823 -0.041 0.000 0.664 284 V HN 0.528 nan 8.190 nan 0.000 0.453 285 E N 0.160 120.319 120.200 -0.069 0.000 2.058 285 E HA -0.338 4.016 4.350 0.005 0.000 0.194 285 E C 2.192 178.696 176.600 -0.161 0.000 0.997 285 E CA 2.123 58.462 56.400 -0.101 0.000 0.801 285 E CB -0.200 29.532 29.700 0.053 0.000 0.746 285 E HN 0.818 nan 8.360 nan 0.000 0.450 286 H N 0.058 119.080 119.070 -0.080 0.000 2.321 286 H HA -0.078 4.481 4.556 0.005 0.000 0.300 286 H C 2.259 177.574 175.328 -0.023 0.000 1.087 286 H CA 1.903 57.952 56.048 0.002 0.000 1.319 286 H CB -0.125 29.722 29.762 0.142 0.000 1.379 286 H HN 0.123 nan 8.280 nan 0.000 0.501 287 L N -0.135 121.129 121.223 0.069 0.000 2.012 287 L HA -0.206 4.137 4.340 0.005 0.000 0.210 287 L C 2.557 179.210 176.870 -0.361 0.000 1.073 287 L CA 1.241 56.018 54.840 -0.105 0.000 0.748 287 L CB -0.437 41.303 42.059 -0.531 0.000 0.891 287 L HN 0.347 nan 8.230 nan 0.000 0.431 288 L N -0.645 120.151 121.223 -0.712 0.000 2.012 288 L HA -0.270 4.073 4.340 0.005 0.000 0.210 288 L C 2.828 179.326 176.870 -0.620 0.000 1.073 288 L CA 1.524 55.912 54.840 -0.753 0.000 0.748 288 L CB -0.552 40.806 42.059 -1.168 0.000 0.891 288 L HN 0.277 nan 8.230 nan 0.000 0.431 289 R N -0.088 119.987 120.500 -0.709 0.000 2.073 289 R HA -0.126 4.217 4.340 0.005 0.000 0.229 289 R C 1.975 178.162 176.300 -0.188 0.000 1.120 289 R CA 1.183 57.102 56.100 -0.301 0.000 0.967 289 R CB 0.099 30.302 30.300 -0.161 0.000 0.862 289 R HN 0.236 nan 8.270 nan 0.000 0.436 290 E N -0.409 119.614 120.200 -0.296 0.000 2.442 290 E HA -0.053 4.301 4.350 0.005 0.000 0.195 290 E C -0.272 175.962 176.600 -0.609 0.000 1.030 290 E CA 0.583 56.711 56.400 -0.453 0.000 0.869 290 E CB 0.392 29.690 29.700 -0.670 0.000 0.857 290 E HN 0.423 nan 8.360 nan 0.000 0.505 291 Y N 0.659 120.980 120.300 0.035 0.000 2.562 291 Y HA 0.225 4.777 4.550 0.004 0.000 0.363 291 Y C -1.612 174.387 175.900 0.166 0.000 0.991 291 Y CA -1.995 56.190 58.100 0.141 0.000 1.121 291 Y CB 1.157 39.774 38.460 0.262 0.000 1.159 291 Y HN -0.036 nan 8.280 nan 0.000 0.651 292 P HA -0.072 nan 4.420 nan 0.000 0.230 292 P C -0.018 177.369 177.300 0.145 0.000 1.158 292 P CA 1.218 64.411 63.100 0.156 0.000 0.769 292 P CB 0.365 32.125 31.700 0.100 0.000 0.807 293 N N -0.919 117.860 118.700 0.132 0.000 2.280 293 N HA 0.056 4.799 4.740 0.005 0.000 0.192 293 N C 0.421 175.957 175.510 0.044 0.000 1.109 293 N CA -0.183 52.913 53.050 0.077 0.000 0.855 293 N CB 0.009 38.532 38.487 0.061 0.000 0.974 293 N HN 0.121 nan 8.380 nan 0.000 0.482 294 N N 1.111 119.865 118.700 0.089 0.000 2.456 294 N HA 0.247 4.991 4.740 0.005 0.000 0.296 294 N C -0.691 174.709 175.510 -0.184 0.000 1.102 294 N CA -0.125 52.859 53.050 -0.109 0.000 0.924 294 N CB 1.511 39.877 38.487 -0.202 0.000 1.186 294 N HN -0.010 nan 8.380 nan 0.000 0.492 295 K N 1.326 121.491 120.400 -0.392 0.000 2.164 295 K HA 0.482 4.805 4.320 0.005 0.000 0.258 295 K C -1.136 175.247 176.600 -0.361 0.000 0.951 295 K CA -0.404 55.719 56.287 -0.273 0.000 0.844 295 K CB 1.366 33.527 32.500 -0.566 0.000 1.099 295 K HN 0.349 nan 8.250 nan 0.000 0.435 296 F N 2.338 122.478 119.950 0.317 0.000 2.518 296 F HA 0.386 4.916 4.527 0.005 0.000 0.323 296 F C -0.375 175.540 175.800 0.192 0.000 1.129 296 F CA -0.860 57.253 58.000 0.189 0.000 0.920 296 F CB 1.218 40.259 39.000 0.068 0.000 1.160 296 F HN 0.118 nan 8.300 nan 0.000 0.440 297 L N 4.309 125.643 121.223 0.185 0.000 2.282 297 L HA 0.768 5.111 4.340 0.005 0.000 0.288 297 L C -0.834 176.099 176.870 0.105 0.000 1.033 297 L CA -0.761 54.113 54.840 0.057 0.000 0.807 297 L CB 1.576 43.493 42.059 -0.236 0.000 1.209 297 L HN 0.344 nan 8.230 nan 0.000 0.423 298 V N 1.947 121.923 119.914 0.104 0.000 2.760 298 V HA 0.585 4.709 4.120 0.005 0.000 0.309 298 V C -0.335 175.437 176.094 -0.536 0.000 1.077 298 V CA -0.474 61.734 62.300 -0.153 0.000 0.910 298 V CB 2.295 34.036 31.823 -0.137 0.000 1.008 298 V HN 0.750 nan 8.190 nan 0.000 0.424 299 T N 5.434 119.520 114.554 -0.780 0.000 2.909 299 T HA 0.772 5.125 4.350 0.005 0.000 0.299 299 T C -0.952 173.566 174.700 -0.304 0.000 1.073 299 T CA -0.408 61.219 62.100 -0.788 0.000 0.999 299 T CB 1.312 69.338 68.868 -1.405 0.000 1.098 299 T HN 0.557 nan 8.240 nan 0.000 0.477 300 M N 3.941 123.519 119.600 -0.036 0.000 2.591 300 M HA 0.466 4.949 4.480 0.005 0.000 0.306 300 M C -0.088 176.373 176.300 0.268 0.000 1.190 300 M CA -0.854 54.529 55.300 0.138 0.000 0.889 300 M CB 2.275 34.894 32.600 0.031 0.000 1.728 300 M HN 0.467 nan 8.290 nan 0.000 0.458 301 L N 0.545 121.906 121.223 0.231 0.000 2.354 301 L HA 0.261 4.604 4.340 0.005 0.000 0.212 301 L C 0.885 177.723 176.870 -0.053 0.000 1.091 301 L CA 1.135 55.982 54.840 0.012 0.000 0.828 301 L CB 0.321 42.211 42.059 -0.281 0.000 0.973 301 L HN 0.703 nan 8.230 nan 0.000 0.461 302 S N -0.599 115.071 115.700 -0.049 0.000 2.545 302 S HA 0.109 4.582 4.470 0.005 0.000 0.275 302 S C 1.475 176.047 174.600 -0.046 0.000 1.299 302 S CA -0.393 57.756 58.200 -0.086 0.000 1.048 302 S CB 0.768 63.914 63.200 -0.091 0.000 0.938 302 S HN 0.376 nan 8.310 nan 0.000 0.496 303 R N 2.518 122.984 120.500 -0.056 0.000 2.105 303 R HA -0.120 4.223 4.340 0.005 0.000 0.239 303 R C 0.870 177.156 176.300 -0.023 0.000 1.135 303 R CA 1.958 58.040 56.100 -0.031 0.000 0.967 303 R CB -0.148 30.128 30.300 -0.040 0.000 0.861 303 R HN 0.649 nan 8.270 nan 0.000 0.442 304 E N -0.345 119.833 120.200 -0.036 0.000 2.481 304 E HA -0.021 4.332 4.350 0.005 0.000 0.195 304 E C 0.756 177.352 176.600 -0.007 0.000 1.047 304 E CA 0.613 56.998 56.400 -0.024 0.000 0.867 304 E CB 0.072 29.748 29.700 -0.039 0.000 0.858 304 E HN 0.486 nan 8.360 nan 0.000 0.513 305 N N -0.256 118.439 118.700 -0.008 0.000 2.422 305 N HA -0.048 4.695 4.740 0.005 0.000 0.181 305 N C 1.305 176.817 175.510 0.003 0.000 1.080 305 N CA 0.032 53.083 53.050 0.001 0.000 0.893 305 N CB 0.313 38.799 38.487 -0.002 0.000 0.973 305 N HN 0.014 nan 8.380 nan 0.000 0.456 306 Q N 0.224 120.028 119.800 0.007 0.000 2.079 306 Q HA -0.168 4.175 4.340 0.005 0.000 0.200 306 Q C 1.794 177.783 176.000 -0.018 0.000 0.974 306 Q CA 1.257 57.054 55.803 -0.010 0.000 0.840 306 Q CB -0.665 28.070 28.738 -0.005 0.000 0.898 306 Q HN 0.594 nan 8.270 nan 0.000 0.430 307 H N 1.747 120.784 119.070 -0.054 0.000 2.321 307 H HA -0.117 4.442 4.556 0.005 0.000 0.300 307 H C 1.751 177.047 175.328 -0.053 0.000 1.087 307 H CA 1.870 57.882 56.048 -0.060 0.000 1.319 307 H CB 0.381 30.113 29.762 -0.051 0.000 1.379 307 H HN 0.495 nan 8.280 nan 0.000 0.501 308 E N 0.473 120.670 120.200 -0.004 0.000 2.208 308 E HA -0.125 4.228 4.350 0.005 0.000 0.193 308 E C 2.430 178.980 176.600 -0.084 0.000 0.988 308 E CA 0.648 57.024 56.400 -0.040 0.000 0.828 308 E CB -0.413 29.316 29.700 0.048 0.000 0.763 308 E HN 0.307 nan 8.360 nan 0.000 0.478 309 L N 1.698 122.875 121.223 -0.076 0.000 2.042 309 L HA -0.163 4.180 4.340 0.005 0.000 0.210 309 L C 2.338 179.135 176.870 -0.121 0.000 1.076 309 L CA 1.416 56.207 54.840 -0.081 0.000 0.749 309 L CB -0.406 41.606 42.059 -0.078 0.000 0.893 309 L HN 0.042 nan 8.230 nan 0.000 0.432 310 V N -1.204 118.594 119.914 -0.193 0.000 2.343 310 V HA -0.276 3.847 4.120 0.005 0.000 0.247 310 V C 2.505 178.467 176.094 -0.219 0.000 1.051 310 V CA 1.628 63.786 62.300 -0.236 0.000 1.036 310 V CB -0.625 31.010 31.823 -0.313 0.000 0.654 310 V HN 0.365 nan 8.190 nan 0.000 0.451 311 V N -0.405 119.352 119.914 -0.262 0.000 2.407 311 V HA -0.215 3.908 4.120 0.005 0.000 0.248 311 V C 2.336 178.376 176.094 -0.090 0.000 1.055 311 V CA 1.840 64.029 62.300 -0.184 0.000 1.049 311 V CB -0.556 31.164 31.823 -0.170 0.000 0.662 311 V HN 0.490 nan 8.190 nan 0.000 0.455 312 L N 0.871 122.066 121.223 -0.047 0.000 2.093 312 L HA -0.011 4.332 4.340 0.005 0.000 0.208 312 L C 2.435 179.354 176.870 0.082 0.000 1.085 312 L CA 2.141 57.015 54.840 0.056 0.000 0.755 312 L CB -0.883 41.222 42.059 0.077 0.000 0.904 312 L HN 0.225 nan 8.230 nan 0.000 0.435 313 A N -0.582 122.245 122.820 0.013 0.000 1.972 313 A HA -0.200 4.123 4.320 0.005 0.000 0.219 313 A C 2.364 179.946 177.584 -0.003 0.000 1.169 313 A CA 1.466 53.518 52.037 0.025 0.000 0.635 313 A CB -0.523 18.463 19.000 -0.024 0.000 0.810 313 A HN 0.482 nan 8.150 nan 0.000 0.446 314 R N -0.453 120.013 120.500 -0.057 0.000 2.159 314 R HA -0.106 4.237 4.340 0.005 0.000 0.237 314 R C 1.592 177.819 176.300 -0.121 0.000 1.131 314 R CA 1.338 57.390 56.100 -0.079 0.000 0.982 314 R CB -0.107 30.135 30.300 -0.097 0.000 0.868 314 R HN 0.312 nan 8.270 nan 0.000 0.453 315 K N -0.427 119.864 120.400 -0.183 0.000 2.262 315 K HA 0.071 4.395 4.320 0.005 0.000 0.200 315 K C -0.024 176.156 176.600 -0.699 0.000 1.049 315 K CA 0.715 56.712 56.287 -0.483 0.000 0.979 315 K CB 0.411 32.491 32.500 -0.701 0.000 0.773 315 K HN 0.012 nan 8.250 nan 0.000 0.474 316 F N 0.724 120.682 119.950 0.015 0.000 2.553 316 F HA 0.128 4.659 4.527 0.006 0.000 0.335 316 F C 1.122 176.968 175.800 0.078 0.000 1.148 316 F CA -0.886 57.141 58.000 0.045 0.000 0.963 316 F CB 1.709 40.733 39.000 0.040 0.000 1.217 316 F HN -0.148 nan 8.300 nan 0.000 0.441 317 S N 0.277 116.126 115.700 0.248 0.000 2.515 317 S HA -0.153 4.320 4.470 0.005 0.000 0.231 317 S C 1.243 176.036 174.600 0.322 0.000 0.987 317 S CA 0.924 59.258 58.200 0.223 0.000 0.936 317 S CB -0.426 62.872 63.200 0.163 0.000 0.766 317 S HN 0.683 nan 8.310 nan 0.000 0.528 318 N N 1.102 120.019 118.700 0.361 0.000 2.383 318 N HA 0.113 4.856 4.740 0.005 0.000 0.192 318 N C -0.117 175.727 175.510 0.557 0.000 1.141 318 N CA -0.213 53.094 53.050 0.428 0.000 0.851 318 N CB -0.318 38.377 38.487 0.346 0.000 0.976 318 N HN 0.448 nan 8.380 nan 0.000 0.465 319 L N 0.924 122.386 121.223 0.399 0.000 2.287 319 L HA 0.561 4.904 4.340 0.005 0.000 0.287 319 L C -0.829 176.046 176.870 0.007 0.000 1.022 319 L CA -0.686 54.307 54.840 0.254 0.000 0.814 319 L CB 1.467 43.627 42.059 0.169 0.000 1.217 319 L HN 0.042 nan 8.230 nan 0.000 0.420 320 M N 7.193 126.616 119.600 -0.295 0.000 2.181 320 M HA 0.526 5.010 4.480 0.005 0.000 0.323 320 M C -0.905 175.287 176.300 -0.180 0.000 1.004 320 M CA -0.750 54.221 55.300 -0.549 0.000 0.941 320 M CB 1.042 32.720 32.600 -1.536 0.000 1.579 320 M HN 0.524 nan 8.290 nan 0.000 0.427 321 I N 2.669 123.206 120.570 -0.055 0.000 2.488 321 I HA 0.826 4.999 4.170 0.005 0.000 0.299 321 I C -1.388 174.813 176.117 0.141 0.000 0.984 321 I CA -0.774 60.530 61.300 0.007 0.000 1.250 321 I CB 1.281 39.252 38.000 -0.048 0.000 1.389 321 I HN 0.776 nan 8.210 nan 0.000 0.488 322 F N 2.638 122.549 119.950 -0.066 0.000 2.581 322 F HA 0.900 5.430 4.527 0.005 0.000 0.311 322 F C -0.046 175.805 175.800 0.085 0.000 1.113 322 F CA -0.296 57.693 58.000 -0.019 0.000 0.935 322 F CB 1.015 39.927 39.000 -0.147 0.000 1.232 322 F HN 1.087 nan 8.300 nan 0.000 0.445 323 G N 0.945 109.930 108.800 0.308 0.000 2.846 323 G HA2 -0.086 3.877 3.960 0.005 0.000 0.660 323 G HA3 -0.086 3.877 3.960 0.005 0.000 0.660 323 G C -1.332 173.680 174.900 0.187 0.000 1.464 323 G CA -0.641 44.703 45.100 0.406 0.000 0.891 323 G HN 1.345 nan 8.290 nan 0.000 0.552 324 C N 0.204 119.588 119.300 0.139 0.000 2.362 324 C HA 0.480 4.943 4.460 0.005 0.000 0.309 324 C C 0.040 175.148 174.990 0.196 0.000 1.110 324 C CA -0.693 58.404 59.018 0.132 0.000 1.485 324 C CB -0.222 27.564 27.740 0.076 0.000 1.949 324 C HN 0.693 nan 8.230 nan 0.000 0.419 325 W N 4.890 126.240 121.300 0.083 0.000 2.335 325 W HA 0.478 5.141 4.660 0.005 0.000 0.306 325 W C 0.566 177.229 176.519 0.240 0.000 1.216 325 W CA -0.030 57.429 57.345 0.190 0.000 1.237 325 W CB 0.128 29.713 29.460 0.209 0.000 1.243 325 W HN 0.870 nan 8.180 nan 0.000 0.493 326 W N 4.607 125.878 121.300 -0.049 0.000 2.207 326 W HA -0.453 4.210 4.660 0.005 0.000 0.296 326 W C 1.322 177.602 176.519 -0.398 0.000 1.856 326 W CA 2.155 59.267 57.345 -0.389 0.000 2.040 326 W CB -2.203 26.607 29.460 -1.083 0.000 0.938 326 W HN 0.340 nan 8.180 nan 0.000 0.450 327 F N 1.070 120.939 119.950 -0.134 0.000 2.546 327 F HA -0.100 4.430 4.527 0.005 0.000 0.298 327 F C 2.422 178.170 175.800 -0.087 0.000 1.120 327 F CA 1.830 59.693 58.000 -0.229 0.000 1.456 327 F CB -0.888 37.843 39.000 -0.450 0.000 1.088 327 F HN -0.136 nan 8.300 nan 0.000 0.572 328 M N -1.133 118.527 119.600 0.099 0.000 2.502 328 M HA 0.049 4.533 4.480 0.005 0.000 0.243 328 M C 0.674 177.043 176.300 0.114 0.000 1.130 328 M CA 0.530 55.890 55.300 0.100 0.000 1.055 328 M CB -0.829 31.835 32.600 0.107 0.000 1.457 328 M HN -0.038 nan 8.290 nan 0.000 0.488 329 N N 2.738 121.526 118.700 0.147 0.000 3.250 329 N HA 0.105 4.848 4.740 0.005 0.000 0.307 329 N C -1.217 174.398 175.510 0.175 0.000 1.355 329 N CA 0.112 53.250 53.050 0.146 0.000 1.192 329 N CB -0.073 38.518 38.487 0.172 0.000 1.478 329 N HN 0.166 nan 8.380 nan 0.000 0.543 330 N N 0.093 118.876 118.700 0.138 0.000 2.225 330 N HA 0.271 5.014 4.740 0.005 0.000 0.298 330 N C -2.004 173.565 175.510 0.098 0.000 1.076 330 N CA -1.295 51.834 53.050 0.133 0.000 0.792 330 N CB 2.366 40.920 38.487 0.111 0.000 1.498 330 N HN -0.025 nan 8.380 nan 0.000 0.474 331 P HA -0.232 nan 4.420 nan 0.000 0.217 331 P C 1.182 178.512 177.300 0.050 0.000 1.158 331 P CA 1.614 64.753 63.100 0.065 0.000 0.887 331 P CB 0.514 32.239 31.700 0.042 0.000 0.792 332 E N -0.758 119.466 120.200 0.040 0.000 2.085 332 E HA -0.171 4.182 4.350 0.005 0.000 0.194 332 E C 1.810 178.428 176.600 0.030 0.000 0.994 332 E CA 1.378 57.794 56.400 0.028 0.000 0.801 332 E CB -0.795 28.916 29.700 0.018 0.000 0.743 332 E HN 0.088 nan 8.360 nan 0.000 0.453 333 I N 0.169 120.762 120.570 0.039 0.000 2.494 333 I HA -0.086 4.087 4.170 0.005 0.000 0.250 333 I C 2.359 178.502 176.117 0.044 0.000 1.112 333 I CA 0.618 61.940 61.300 0.037 0.000 1.438 333 I CB -0.898 37.127 38.000 0.042 0.000 1.111 333 I HN 0.168 nan 8.210 nan 0.000 0.431 334 I N 1.527 122.132 120.570 0.058 0.000 2.194 334 I HA -0.371 3.803 4.170 0.005 0.000 0.246 334 I C 2.385 178.538 176.117 0.059 0.000 1.093 334 I CA 1.875 63.214 61.300 0.064 0.000 1.355 334 I CB -0.609 37.436 38.000 0.075 0.000 1.046 334 I HN 0.312 nan 8.210 nan 0.000 0.413 335 N N 1.105 119.836 118.700 0.052 0.000 2.058 335 N HA -0.263 4.481 4.740 0.005 0.000 0.191 335 N C 1.850 177.378 175.510 0.031 0.000 1.037 335 N CA 1.985 55.062 53.050 0.045 0.000 0.848 335 N CB -0.173 38.337 38.487 0.038 0.000 1.021 335 N HN 0.545 nan 8.380 nan 0.000 0.422 336 E N -0.126 120.087 120.200 0.021 0.000 2.077 336 E HA -0.217 4.136 4.350 0.005 0.000 0.193 336 E C 2.027 178.627 176.600 0.000 0.000 0.989 336 E CA 1.142 57.548 56.400 0.009 0.000 0.800 336 E CB -0.406 29.298 29.700 0.006 0.000 0.746 336 E HN 0.428 nan 8.360 nan 0.000 0.452 337 M N 0.916 120.519 119.600 0.004 0.000 2.117 337 M HA -0.104 4.380 4.480 0.005 0.000 0.262 337 M C 2.269 178.540 176.300 -0.049 0.000 1.065 337 M CA 2.048 57.336 55.300 -0.020 0.000 1.114 337 M CB -0.268 32.334 32.600 0.003 0.000 1.361 337 M HN 0.164 nan 8.290 nan 0.000 0.408 338 T N -0.072 114.489 114.554 0.013 0.000 2.821 338 T HA -0.074 4.280 4.350 0.005 0.000 0.267 338 T C 1.821 176.518 174.700 -0.005 0.000 1.046 338 T CA 1.047 63.181 62.100 0.057 0.000 1.139 338 T CB -0.185 68.766 68.868 0.138 0.000 0.871 338 T HN 0.359 nan 8.240 nan 0.000 0.454 339 R N 0.551 121.046 120.500 -0.009 0.000 2.066 339 R HA 0.095 4.438 4.340 0.005 0.000 0.232 339 R C 2.612 178.870 176.300 -0.070 0.000 1.131 339 R CA 1.280 57.366 56.100 -0.023 0.000 0.955 339 R CB -0.318 29.979 30.300 -0.005 0.000 0.851 339 R HN 0.379 nan 8.270 nan 0.000 0.432 340 M N -0.095 119.457 119.600 -0.079 0.000 2.117 340 M HA -0.178 4.305 4.480 0.005 0.000 0.262 340 M C 2.281 178.454 176.300 -0.210 0.000 1.065 340 M CA 1.759 57.005 55.300 -0.089 0.000 1.114 340 M CB -0.288 32.290 32.600 -0.036 0.000 1.361 340 M HN 0.086 nan 8.290 nan 0.000 0.408 341 R N -0.157 120.130 120.500 -0.356 0.000 2.073 341 R HA -0.114 4.229 4.340 0.005 0.000 0.234 341 R C 2.222 178.136 176.300 -0.643 0.000 1.134 341 R CA 1.649 57.322 56.100 -0.711 0.000 0.952 341 R CB -0.349 29.161 30.300 -1.317 0.000 0.850 341 R HN 0.365 nan 8.270 nan 0.000 0.433 342 M N 0.780 120.164 119.600 -0.360 0.000 2.200 342 M HA -0.135 4.348 4.480 0.005 0.000 0.265 342 M C 1.550 177.805 176.300 -0.075 0.000 1.066 342 M CA 1.658 56.926 55.300 -0.053 0.000 1.127 342 M CB 0.180 32.826 32.600 0.076 0.000 1.379 342 M HN 0.075 nan 8.290 nan 0.000 0.420 343 E N -0.163 119.979 120.200 -0.096 0.000 2.118 343 E HA -0.220 4.133 4.350 0.005 0.000 0.195 343 E C 1.734 178.285 176.600 -0.081 0.000 0.992 343 E CA 1.557 57.913 56.400 -0.074 0.000 0.804 343 E CB -0.071 29.595 29.700 -0.056 0.000 0.741 343 E HN 0.587 nan 8.360 nan 0.000 0.458 344 M N -0.596 118.933 119.600 -0.119 0.000 2.414 344 M HA 0.128 4.612 4.480 0.005 0.000 0.251 344 M C 1.070 177.307 176.300 -0.105 0.000 1.116 344 M CA 0.347 55.579 55.300 -0.114 0.000 1.056 344 M CB 0.858 33.369 32.600 -0.149 0.000 1.388 344 M HN 0.038 nan 8.290 nan 0.000 0.487 345 L N -1.409 119.750 121.223 -0.107 0.000 3.086 345 L HA 0.403 4.747 4.340 0.005 0.000 0.274 345 L C 1.211 178.113 176.870 0.053 0.000 1.184 345 L CA -0.091 54.727 54.840 -0.037 0.000 1.002 345 L CB 0.252 42.273 42.059 -0.063 0.000 1.383 345 L HN 0.424 nan 8.230 nan 0.000 0.582 346 G N 1.959 110.780 108.800 0.035 0.000 2.591 346 G HA2 -0.435 3.528 3.960 0.005 0.000 0.298 346 G HA3 -0.435 3.528 3.960 0.005 0.000 0.298 346 G C 0.755 175.763 174.900 0.180 0.000 1.195 346 G CA 0.813 45.948 45.100 0.058 0.000 0.989 346 G HN 0.329 nan 8.290 nan 0.000 0.551 347 T N -1.959 112.662 114.554 0.111 0.000 3.145 347 T HA 0.482 4.835 4.350 0.005 0.000 0.255 347 T C 1.494 176.216 174.700 0.037 0.000 1.039 347 T CA 1.188 63.314 62.100 0.043 0.000 0.928 347 T CB 0.054 68.913 68.868 -0.016 0.000 1.029 347 T HN 1.698 nan 8.240 nan 0.000 0.554 348 S N 1.509 117.315 115.700 0.176 0.000 2.994 348 S HA 0.504 4.978 4.470 0.005 0.000 0.247 348 S C -0.073 174.663 174.600 0.226 0.000 1.323 348 S CA -1.131 57.151 58.200 0.137 0.000 1.246 348 S CB -1.555 61.705 63.200 0.100 0.000 0.994 348 S HN 0.689 nan 8.310 nan 0.000 0.484 349 F N -2.173 117.744 119.950 -0.054 0.000 2.779 349 F HA 0.693 5.223 4.527 0.005 0.000 0.316 349 F C -1.566 174.200 175.800 -0.057 0.000 1.164 349 F CA -1.784 56.176 58.000 -0.067 0.000 0.924 349 F CB 0.814 39.776 39.000 -0.063 0.000 1.348 349 F HN -0.080 nan 8.300 nan 0.000 0.467 350 I N 2.874 123.429 120.570 -0.025 0.000 2.371 350 I HA 0.303 4.476 4.170 0.005 0.000 0.282 350 I C -1.745 174.380 176.117 0.013 0.000 1.031 350 I CA -1.908 59.329 61.300 -0.105 0.000 1.180 350 I CB 1.610 39.628 38.000 0.029 0.000 1.336 350 I HN 0.430 nan 8.210 nan 0.000 0.467 351 P HA -0.124 nan 4.420 nan 0.000 0.218 351 P C 0.259 177.643 177.300 0.140 0.000 1.149 351 P CA 1.210 64.346 63.100 0.060 0.000 0.817 351 P CB 0.387 31.995 31.700 -0.152 0.000 0.785 352 Q N -0.881 119.008 119.800 0.147 0.000 2.435 352 Q HA 0.352 4.695 4.340 0.005 0.000 0.282 352 Q C -1.225 174.984 176.000 0.349 0.000 1.020 352 Q CA -0.740 55.166 55.803 0.171 0.000 0.820 352 Q CB 1.219 29.974 28.738 0.028 0.000 1.436 352 Q HN 0.220 nan 8.270 nan 0.000 0.395 353 H N -0.708 118.427 119.070 0.109 0.000 2.985 353 H HA 0.526 5.085 4.556 0.006 0.000 0.360 353 H C -0.424 174.838 175.328 -0.110 0.000 1.221 353 H CA -0.173 55.970 56.048 0.159 0.000 1.121 353 H CB 1.408 31.312 29.762 0.236 0.000 1.854 353 H HN 0.653 nan 8.280 nan 0.000 0.551 354 S N -0.462 115.156 115.700 -0.137 0.000 2.456 354 S HA -0.084 4.389 4.470 0.005 0.000 0.224 354 S C 0.451 174.951 174.600 -0.167 0.000 1.035 354 S CA 0.808 58.791 58.200 -0.362 0.000 0.940 354 S CB -0.337 62.677 63.200 -0.309 0.000 0.799 354 S HN 0.755 nan 8.310 nan 0.000 0.508 355 D N 1.455 121.905 120.400 0.083 0.000 2.811 355 D HA -0.160 4.483 4.640 0.005 0.000 0.231 355 D C 0.145 176.465 176.300 0.032 0.000 1.157 355 D CA 0.838 54.928 54.000 0.150 0.000 0.716 355 D CB -1.599 39.416 40.800 0.358 0.000 1.077 355 D HN 0.817 nan 8.370 nan 0.000 0.428 356 A N 0.133 122.909 122.820 -0.074 0.000 2.548 356 A HA 0.194 4.517 4.320 0.005 0.000 0.247 356 A C 1.475 179.022 177.584 -0.062 0.000 1.067 356 A CA 0.457 52.404 52.037 -0.150 0.000 0.757 356 A CB 0.385 19.306 19.000 -0.131 0.000 0.996 356 A HN 0.371 nan 8.150 nan 0.000 0.504 357 R N 1.425 121.854 120.500 -0.118 0.000 2.237 357 R HA 0.167 4.510 4.340 0.005 0.000 0.195 357 R C -0.564 175.740 176.300 0.006 0.000 0.956 357 R CA 0.438 56.542 56.100 0.007 0.000 1.029 357 R CB 0.413 30.756 30.300 0.072 0.000 0.972 357 R HN 0.524 nan 8.270 nan 0.000 0.493 358 V N 1.565 121.415 119.914 -0.106 0.000 2.531 358 V HA 0.039 4.162 4.120 0.005 0.000 0.301 358 V C 0.810 176.907 176.094 0.006 0.000 1.034 358 V CA -0.445 61.838 62.300 -0.029 0.000 0.865 358 V CB 1.970 33.730 31.823 -0.105 0.000 0.995 358 V HN 0.046 nan 8.190 nan 0.000 0.424 359 L N 4.352 125.649 121.223 0.124 0.000 2.021 359 L HA -0.183 4.160 4.340 0.005 0.000 0.215 359 L C 2.142 179.066 176.870 0.089 0.000 1.074 359 L CA 2.272 57.187 54.840 0.125 0.000 0.760 359 L CB -0.316 41.850 42.059 0.178 0.000 0.889 359 L HN 0.807 nan 8.230 nan 0.000 0.433 360 E N -0.724 119.551 120.200 0.124 0.000 2.268 360 E HA -0.204 4.149 4.350 0.005 0.000 0.195 360 E C 2.145 178.778 176.600 0.056 0.000 0.995 360 E CA 0.864 57.338 56.400 0.124 0.000 0.836 360 E CB -0.207 29.605 29.700 0.187 0.000 0.763 360 E HN 0.641 nan 8.360 nan 0.000 0.491 361 Q N -0.041 119.739 119.800 -0.032 0.000 2.297 361 Q HA -0.126 4.217 4.340 0.005 0.000 0.208 361 Q C 1.909 177.747 176.000 -0.270 0.000 0.981 361 Q CA 0.732 56.423 55.803 -0.187 0.000 0.876 361 Q CB -0.167 28.343 28.738 -0.380 0.000 0.921 361 Q HN 0.358 nan 8.270 nan 0.000 0.446 362 L N 0.167 121.340 121.223 -0.084 0.000 2.081 362 L HA -0.253 4.090 4.340 0.005 0.000 0.212 362 L C 2.204 179.140 176.870 0.110 0.000 1.080 362 L CA 1.123 56.004 54.840 0.068 0.000 0.754 362 L CB -0.529 41.617 42.059 0.144 0.000 0.893 362 L HN 0.291 nan 8.230 nan 0.000 0.433 363 I N -0.794 119.814 120.570 0.063 0.000 2.099 363 I HA -0.353 3.820 4.170 0.005 0.000 0.239 363 I C 2.660 178.826 176.117 0.081 0.000 1.066 363 I CA 1.931 63.287 61.300 0.093 0.000 1.324 363 I CB -0.471 37.572 38.000 0.073 0.000 1.037 363 I HN 0.294 nan 8.210 nan 0.000 0.401 364 Y N 1.173 121.407 120.300 -0.111 0.000 2.263 364 Y HA -0.019 4.535 4.550 0.005 0.000 0.292 364 Y C 2.242 177.913 175.900 -0.381 0.000 1.130 364 Y CA 0.777 58.674 58.100 -0.339 0.000 1.179 364 Y CB -0.633 37.536 38.460 -0.485 0.000 0.998 364 Y HN -0.117 nan 8.280 nan 0.000 0.532 365 K N 0.253 120.158 120.400 -0.825 0.000 2.057 365 K HA -0.185 4.138 4.320 0.005 0.000 0.207 365 K C 1.733 177.981 176.600 -0.586 0.000 1.049 365 K CA 1.987 57.767 56.287 -0.845 0.000 0.931 365 K CB -0.825 31.098 32.500 -0.962 0.000 0.714 365 K HN 0.538 nan 8.250 nan 0.000 0.440 366 W N 0.082 121.331 121.300 -0.084 0.000 2.453 366 W HA -0.097 4.566 4.660 0.005 0.000 0.289 366 W C 2.436 179.008 176.519 0.088 0.000 1.215 366 W CA 1.012 58.368 57.345 0.018 0.000 1.297 366 W CB -0.557 28.897 29.460 -0.010 0.000 1.113 366 W HN 0.353 nan 8.180 nan 0.000 0.551 367 H N -1.083 118.104 119.070 0.196 0.000 2.321 367 H HA -0.175 4.384 4.556 0.005 0.000 0.300 367 H C 2.010 177.510 175.328 0.285 0.000 1.087 367 H CA 2.588 58.764 56.048 0.213 0.000 1.319 367 H CB -0.457 29.426 29.762 0.202 0.000 1.379 367 H HN 0.222 nan 8.280 nan 0.000 0.501 368 H N -1.186 118.048 119.070 0.272 0.000 2.353 368 H HA -0.079 4.480 4.556 0.005 0.000 0.300 368 H C 2.350 177.733 175.328 0.092 0.000 1.090 368 H CA 0.828 56.989 56.048 0.190 0.000 1.327 368 H CB 0.205 30.119 29.762 0.252 0.000 1.383 368 H HN 0.316 nan 8.280 nan 0.000 0.508 369 S N 0.451 116.265 115.700 0.191 0.000 2.371 369 S HA -0.084 4.390 4.470 0.005 0.000 0.224 369 S C 1.913 176.649 174.600 0.226 0.000 1.029 369 S CA 0.784 59.071 58.200 0.144 0.000 0.978 369 S CB 0.027 63.229 63.200 0.003 0.000 0.833 369 S HN 0.332 nan 8.310 nan 0.000 0.466 370 K N 1.475 122.036 120.400 0.268 0.000 2.103 370 K HA -0.118 4.206 4.320 0.005 0.000 0.207 370 K C 2.531 179.212 176.600 0.135 0.000 1.048 370 K CA 1.654 58.086 56.287 0.242 0.000 0.930 370 K CB -0.290 32.276 32.500 0.109 0.000 0.716 370 K HN 0.485 nan 8.250 nan 0.000 0.444 371 S N 0.922 116.649 115.700 0.045 0.000 2.383 371 S HA -0.122 4.351 4.470 0.005 0.000 0.227 371 S C 2.019 176.659 174.600 0.068 0.000 1.026 371 S CA 0.925 59.133 58.200 0.014 0.000 0.981 371 S CB -0.496 62.668 63.200 -0.060 0.000 0.818 371 S HN 0.189 nan 8.310 nan 0.000 0.472 372 I N 1.489 122.113 120.570 0.091 0.000 2.202 372 I HA -0.093 4.080 4.170 0.005 0.000 0.242 372 I C 2.423 178.611 176.117 0.119 0.000 1.091 372 I CA 1.258 62.614 61.300 0.095 0.000 1.368 372 I CB -0.416 37.640 38.000 0.094 0.000 1.058 372 I HN 0.248 nan 8.210 nan 0.000 0.410 373 I N 0.863 121.534 120.570 0.167 0.000 2.226 373 I HA -0.302 3.871 4.170 0.005 0.000 0.245 373 I C 2.798 179.026 176.117 0.184 0.000 1.100 373 I CA 1.341 62.755 61.300 0.191 0.000 1.374 373 I CB -0.520 37.645 38.000 0.275 0.000 1.057 373 I HN 0.196 nan 8.210 nan 0.000 0.413 374 A N 0.478 123.410 122.820 0.186 0.000 1.883 374 A HA -0.283 4.040 4.320 0.005 0.000 0.217 374 A C 2.236 179.897 177.584 0.128 0.000 1.186 374 A CA 2.171 54.303 52.037 0.159 0.000 0.624 374 A CB -0.585 18.487 19.000 0.120 0.000 0.822 374 A HN 0.409 nan 8.150 nan 0.000 0.444 375 E N -0.114 120.147 120.200 0.101 0.000 2.110 375 E HA -0.111 4.242 4.350 0.005 0.000 0.193 375 E C 1.812 178.459 176.600 0.078 0.000 0.988 375 E CA 1.474 57.923 56.400 0.083 0.000 0.804 375 E CB -0.399 29.341 29.700 0.065 0.000 0.745 375 E HN 0.259 nan 8.360 nan 0.000 0.458 376 V N 0.608 120.570 119.914 0.078 0.000 2.343 376 V HA -0.249 3.874 4.120 0.005 0.000 0.247 376 V C 2.463 178.579 176.094 0.036 0.000 1.051 376 V CA 1.704 64.039 62.300 0.058 0.000 1.036 376 V CB -0.498 31.366 31.823 0.069 0.000 0.654 376 V HN 0.303 nan 8.190 nan 0.000 0.451 377 L N -0.740 120.515 121.223 0.055 0.000 2.046 377 L HA -0.198 4.145 4.340 0.005 0.000 0.208 377 L C 2.354 179.283 176.870 0.100 0.000 1.077 377 L CA 1.701 56.542 54.840 0.002 0.000 0.747 377 L CB -0.476 41.663 42.059 0.133 0.000 0.896 377 L HN 0.268 nan 8.230 nan 0.000 0.432 378 I N -0.381 120.290 120.570 0.169 0.000 2.179 378 I HA -0.312 3.861 4.170 0.005 0.000 0.242 378 I C 2.150 178.352 176.117 0.142 0.000 1.088 378 I CA 1.218 62.636 61.300 0.196 0.000 1.357 378 I CB -0.406 37.677 38.000 0.138 0.000 1.051 378 I HN 0.260 nan 8.210 nan 0.000 0.409 379 D N 0.933 121.383 120.400 0.083 0.000 2.104 379 D HA -0.191 4.452 4.640 0.005 0.000 0.194 379 D C 2.188 178.512 176.300 0.040 0.000 0.994 379 D CA 1.395 55.429 54.000 0.057 0.000 0.830 379 D CB -0.135 40.687 40.800 0.036 0.000 0.959 379 D HN 0.117 nan 8.370 nan 0.000 0.452 380 K N -0.356 120.037 120.400 -0.012 0.000 2.097 380 K HA -0.076 4.247 4.320 0.005 0.000 0.205 380 K C 2.046 178.620 176.600 -0.043 0.000 1.050 380 K CA 0.675 56.916 56.287 -0.078 0.000 0.938 380 K CB -0.501 31.891 32.500 -0.180 0.000 0.718 380 K HN 0.238 nan 8.250 nan 0.000 0.442 381 Y N 0.626 120.958 120.300 0.053 0.000 2.263 381 Y HA -0.141 4.412 4.550 0.005 0.000 0.292 381 Y C 2.033 177.978 175.900 0.075 0.000 1.130 381 Y CA 1.237 59.379 58.100 0.071 0.000 1.179 381 Y CB -0.522 37.990 38.460 0.087 0.000 0.998 381 Y HN 0.157 nan 8.280 nan 0.000 0.532 382 D N -0.148 120.383 120.400 0.220 0.000 2.117 382 D HA -0.165 4.478 4.640 0.005 0.000 0.197 382 D C 1.550 177.918 176.300 0.114 0.000 0.987 382 D CA 1.501 55.590 54.000 0.148 0.000 0.829 382 D CB -0.104 40.761 40.800 0.109 0.000 0.961 382 D HN 0.140 nan 8.370 nan 0.000 0.460 383 D N -0.233 120.217 120.400 0.085 0.000 2.149 383 D HA -0.130 4.513 4.640 0.005 0.000 0.198 383 D C 2.167 178.506 176.300 0.064 0.000 0.990 383 D CA 1.102 55.135 54.000 0.055 0.000 0.839 383 D CB -0.303 40.511 40.800 0.023 0.000 0.948 383 D HN 0.578 nan 8.370 nan 0.000 0.460 384 I N -2.177 118.443 120.570 0.082 0.000 2.584 384 I HA -0.041 4.133 4.170 0.005 0.000 0.255 384 I C 2.323 178.566 176.117 0.211 0.000 1.145 384 I CA 0.347 61.703 61.300 0.093 0.000 1.462 384 I CB -0.281 37.701 38.000 -0.029 0.000 1.102 384 I HN -0.068 nan 8.210 nan 0.000 0.433 385 L N 1.187 122.542 121.223 0.220 0.000 2.012 385 L HA -0.211 4.132 4.340 0.005 0.000 0.210 385 L C 2.736 179.690 176.870 0.140 0.000 1.073 385 L CA 1.950 56.908 54.840 0.196 0.000 0.748 385 L CB -0.479 41.675 42.059 0.159 0.000 0.891 385 L HN 0.404 nan 8.230 nan 0.000 0.431 386 Q N -0.196 119.670 119.800 0.110 0.000 2.224 386 Q HA -0.083 4.260 4.340 0.005 0.000 0.203 386 Q C 1.971 178.021 176.000 0.083 0.000 0.970 386 Q CA 1.391 57.243 55.803 0.082 0.000 0.865 386 Q CB -0.386 28.390 28.738 0.064 0.000 0.922 386 Q HN 0.610 nan 8.270 nan 0.000 0.445 387 A N -0.486 122.393 122.820 0.099 0.000 2.238 387 A HA 0.371 4.695 4.320 0.005 0.000 0.208 387 A C 1.424 179.087 177.584 0.132 0.000 1.177 387 A CA 0.978 53.073 52.037 0.097 0.000 0.804 387 A CB -0.130 18.919 19.000 0.081 0.000 0.823 387 A HN 0.407 nan 8.150 nan 0.000 0.482 388 G N -2.684 106.207 108.800 0.151 0.000 2.179 388 G HA2 -0.239 3.724 3.960 0.005 0.000 0.220 388 G HA3 -0.239 3.724 3.960 0.005 0.000 0.220 388 G C 0.057 175.079 174.900 0.203 0.000 0.990 388 G CA -0.062 45.124 45.100 0.144 0.000 0.646 388 G HN 0.579 nan 8.290 nan 0.000 0.517 389 W N 2.262 123.583 121.300 0.036 0.000 2.216 389 W HA 0.485 5.149 4.660 0.005 0.000 0.326 389 W C 0.229 176.769 176.519 0.036 0.000 1.319 389 W CA 0.163 57.532 57.345 0.041 0.000 1.213 389 W CB 0.730 30.224 29.460 0.058 0.000 1.171 389 W HN 0.234 nan 8.180 nan 0.000 0.557 390 E N 5.325 125.240 120.200 -0.475 0.000 2.044 390 E HA 0.191 4.544 4.350 0.005 0.000 0.282 390 E C -1.022 175.376 176.600 -0.337 0.000 1.031 390 E CA -0.314 55.886 56.400 -0.333 0.000 0.824 390 E CB 1.146 30.634 29.700 -0.353 0.000 1.076 390 E HN 0.324 nan 8.360 nan 0.000 0.395 391 V N 4.012 123.915 119.914 -0.018 0.000 2.407 391 V HA 0.447 4.570 4.120 0.005 0.000 0.278 391 V C -0.044 176.020 176.094 -0.050 0.000 1.037 391 V CA -0.029 62.309 62.300 0.063 0.000 0.900 391 V CB 1.232 33.154 31.823 0.165 0.000 0.983 391 V HN 0.735 nan 8.190 nan 0.000 0.459 392 T N 1.433 115.958 114.554 -0.049 0.000 2.934 392 T HA 0.394 4.747 4.350 0.005 0.000 0.283 392 T C 0.819 175.475 174.700 -0.073 0.000 1.005 392 T CA 0.264 62.328 62.100 -0.060 0.000 1.041 392 T CB 1.572 70.413 68.868 -0.045 0.000 1.042 392 T HN 0.875 nan 8.240 nan 0.000 0.505 393 E N 0.142 120.304 120.200 -0.062 0.000 2.153 393 E HA -0.174 4.179 4.350 0.005 0.000 0.194 393 E C 1.713 178.292 176.600 -0.036 0.000 0.988 393 E CA 0.974 57.338 56.400 -0.061 0.000 0.811 393 E CB 0.058 29.733 29.700 -0.042 0.000 0.746 393 E HN 0.658 nan 8.360 nan 0.000 0.466 394 E N 0.656 120.845 120.200 -0.019 0.000 2.106 394 E HA -0.177 4.176 4.350 0.005 0.000 0.192 394 E C 1.859 178.472 176.600 0.022 0.000 0.984 394 E CA 0.957 57.359 56.400 0.002 0.000 0.806 394 E CB -0.058 29.645 29.700 0.004 0.000 0.750 394 E HN 0.443 nan 8.360 nan 0.000 0.458 395 E N 0.457 120.672 120.200 0.024 0.000 2.072 395 E HA -0.107 4.246 4.350 0.005 0.000 0.191 395 E C 2.262 178.907 176.600 0.075 0.000 0.985 395 E CA 0.683 57.124 56.400 0.070 0.000 0.801 395 E CB -0.133 29.631 29.700 0.107 0.000 0.750 395 E HN 0.223 nan 8.360 nan 0.000 0.452 396 I N 1.320 121.875 120.570 -0.024 0.000 2.163 396 I HA -0.327 3.846 4.170 0.005 0.000 0.243 396 I C 2.277 178.443 176.117 0.081 0.000 1.085 396 I CA 1.371 62.650 61.300 -0.034 0.000 1.347 396 I CB -0.252 37.623 38.000 -0.208 0.000 1.044 396 I HN 0.031 nan 8.210 nan 0.000 0.408 397 K N 0.191 120.618 120.400 0.045 0.000 2.147 397 K HA -0.200 4.123 4.320 0.005 0.000 0.205 397 K C 2.277 178.926 176.600 0.081 0.000 1.049 397 K CA 1.069 57.391 56.287 0.057 0.000 0.936 397 K CB -0.199 32.319 32.500 0.030 0.000 0.722 397 K HN 0.271 nan 8.250 nan 0.000 0.446 398 R N 1.274 121.824 120.500 0.084 0.000 2.066 398 R HA -0.154 4.189 4.340 0.005 0.000 0.232 398 R C 1.277 177.643 176.300 0.111 0.000 1.131 398 R CA 1.968 58.122 56.100 0.090 0.000 0.955 398 R CB -0.104 30.248 30.300 0.086 0.000 0.851 398 R HN 0.104 nan 8.270 nan 0.000 0.432 399 D N 0.243 120.730 120.400 0.145 0.000 2.117 399 D HA -0.127 4.516 4.640 0.005 0.000 0.197 399 D C 2.013 178.397 176.300 0.140 0.000 0.987 399 D CA 1.163 55.253 54.000 0.151 0.000 0.829 399 D CB -0.245 40.703 40.800 0.246 0.000 0.961 399 D HN 0.107 nan 8.370 nan 0.000 0.460 400 V N 1.462 121.492 119.914 0.193 0.000 2.407 400 V HA -0.235 3.889 4.120 0.005 0.000 0.248 400 V C 2.512 178.767 176.094 0.267 0.000 1.055 400 V CA 1.773 64.230 62.300 0.262 0.000 1.049 400 V CB -0.743 31.229 31.823 0.247 0.000 0.662 400 V HN 0.192 nan 8.190 nan 0.000 0.455 401 A N -0.378 122.542 122.820 0.167 0.000 1.930 401 A HA -0.218 4.106 4.320 0.005 0.000 0.217 401 A C 2.001 179.660 177.584 0.125 0.000 1.175 401 A CA 1.804 53.926 52.037 0.142 0.000 0.627 401 A CB -0.521 18.539 19.000 0.100 0.000 0.815 401 A HN 0.528 nan 8.150 nan 0.000 0.443 402 D N 0.222 120.674 120.400 0.087 0.000 2.097 402 D HA -0.124 4.519 4.640 0.005 0.000 0.195 402 D C 1.962 178.243 176.300 -0.031 0.000 0.989 402 D CA 1.200 55.225 54.000 0.042 0.000 0.827 402 D CB -0.339 40.476 40.800 0.024 0.000 0.966 402 D HN 0.457 nan 8.370 nan 0.000 0.456 403 L N -0.744 120.417 121.223 -0.103 0.000 2.056 403 L HA -0.111 4.232 4.340 0.005 0.000 0.207 403 L C 2.116 178.775 176.870 -0.351 0.000 1.078 403 L CA 0.885 55.514 54.840 -0.352 0.000 0.749 403 L CB -0.288 41.451 42.059 -0.534 0.000 0.901 403 L HN -0.038 nan 8.230 nan 0.000 0.433 404 F N -2.302 117.622 119.950 -0.044 0.000 2.754 404 F HA 0.043 4.573 4.527 0.005 0.000 0.297 404 F C 2.215 177.974 175.800 -0.068 0.000 1.122 404 F CA 0.525 58.487 58.000 -0.063 0.000 1.400 404 F CB 0.438 39.382 39.000 -0.093 0.000 1.117 404 F HN -0.045 nan 8.300 nan 0.000 0.587 405 S N -1.185 114.599 115.700 0.141 0.000 3.916 405 S HA 0.142 4.616 4.470 0.005 0.000 0.231 405 S C 1.812 176.571 174.600 0.264 0.000 1.161 405 S CA -0.198 58.117 58.200 0.192 0.000 0.938 405 S CB -0.123 63.212 63.200 0.225 0.000 1.170 405 S HN 0.045 nan 8.310 nan 0.000 0.508 406 R N 1.502 122.133 120.500 0.219 0.000 2.115 406 R HA 0.128 4.471 4.340 0.005 0.000 0.230 406 R C 1.579 177.981 176.300 0.171 0.000 1.111 406 R CA 1.442 57.679 56.100 0.229 0.000 0.976 406 R CB -0.325 30.066 30.300 0.150 0.000 0.870 406 R HN 0.350 nan 8.270 nan 0.000 0.445 407 N N 0.611 119.370 118.700 0.097 0.000 2.166 407 N HA -0.172 4.571 4.740 0.005 0.000 0.186 407 N C 1.389 176.946 175.510 0.079 0.000 1.019 407 N CA 1.040 54.129 53.050 0.065 0.000 0.856 407 N CB -0.290 38.190 38.487 -0.011 0.000 0.993 407 N HN 0.116 nan 8.380 nan 0.000 0.426 408 F N 0.017 119.895 119.950 -0.121 0.000 2.084 408 F HA -0.103 4.427 4.527 0.005 0.000 0.296 408 F C 1.848 177.527 175.800 -0.201 0.000 1.111 408 F CA 1.321 59.164 58.000 -0.261 0.000 1.224 408 F CB -0.748 37.932 39.000 -0.534 0.000 0.991 408 F HN 0.027 nan 8.300 nan 0.000 0.471 409 W N 0.632 121.870 121.300 -0.103 0.000 2.363 409 W HA -0.087 4.576 4.660 0.005 0.000 0.296 409 W C 2.800 179.217 176.519 -0.170 0.000 1.212 409 W CA 1.287 58.494 57.345 -0.231 0.000 1.260 409 W CB -0.521 28.903 29.460 -0.060 0.000 1.131 409 W HN -0.072 nan 8.180 nan 0.000 0.530 410 R N -0.152 120.432 120.500 0.141 0.000 2.091 410 R HA -0.219 4.124 4.340 0.005 0.000 0.238 410 R C 2.153 178.492 176.300 0.064 0.000 1.136 410 R CA 1.861 58.021 56.100 0.100 0.000 0.959 410 R CB -0.832 29.537 30.300 0.116 0.000 0.856 410 R HN 0.199 nan 8.270 nan 0.000 0.437 411 F N 0.867 120.739 119.950 -0.130 0.000 2.163 411 F HA -0.134 4.396 4.527 0.005 0.000 0.297 411 F C 1.976 177.665 175.800 -0.185 0.000 1.094 411 F CA 1.454 59.374 58.000 -0.134 0.000 1.290 411 F CB -0.113 38.802 39.000 -0.142 0.000 1.017 411 F HN -0.056 nan 8.300 nan 0.000 0.483 412 V N -1.487 118.279 119.914 -0.246 0.000 3.217 412 V HA 0.305 4.428 4.120 0.005 0.000 0.264 412 V C 1.510 177.500 176.094 -0.174 0.000 1.135 412 V CA 0.748 62.866 62.300 -0.303 0.000 1.142 412 V CB -1.076 30.450 31.823 -0.494 0.000 0.754 412 V HN 0.654 nan 8.190 nan 0.000 0.484 413 G N 0.531 109.263 108.800 -0.113 0.000 2.256 413 G HA2 -0.241 3.722 3.960 0.005 0.000 0.272 413 G HA3 -0.241 3.722 3.960 0.005 0.000 0.272 413 G C 0.068 174.971 174.900 0.004 0.000 1.076 413 G CA 0.634 45.701 45.100 -0.054 0.000 0.882 413 G HN 0.742 nan 8.290 nan 0.000 0.497 414 R N -1.124 119.423 120.500 0.078 0.000 3.145 414 R HA 0.547 4.890 4.340 0.005 0.000 0.253 414 R C 0.956 177.255 176.300 -0.002 0.000 1.289 414 R CA -0.388 55.763 56.100 0.086 0.000 1.030 414 R CB 0.245 30.641 30.300 0.161 0.000 1.387 414 R HN 0.324 nan 8.270 nan 0.000 0.466 415 N N 0.000 118.530 118.700 -0.284 0.000 1.763 415 N HA 0.000 4.743 4.740 0.005 0.000 0.220 415 N CA 0.000 52.624 53.050 -0.710 0.000 0.885 415 N CB 0.000 37.675 38.487 -1.354 0.000 1.341 415 N HN 0.000 nan 8.380 nan 0.000 0.667