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 1v72_1_A DATA FIRST_RESID 6 DATA SEQUENCE RPPALGFSSD NIAGASPEVA QALVKHSSGQ AGPYGTDELT AQVKRKFCEI DATA SEQUENCE FERDVEVFLV PTGTAANALC LSAMTPPWGN IYCHPASHIN NDECGAPEFF DATA SEQUENCE SNGAKLMTVD GPAAKLDIVR LRERTREKVG DVHTTQPACV SITQATEVGS DATA SEQUENCE IYTLDEIEAI GDVCKSSSLG LHMDGSRFAN ALVSLGCSPA EMTWKAGVDA DATA SEQUENCE LSFGATKNGV LAAEAIVLFN TSLATEMSYR RKRAGHLSSK MRFLSAQIDA DATA SEQUENCE YLTDDLWLRN ARKANAAAQR LAQGLEGLGG VEVLGGTEAN ILFCRLDSAM DATA SEQUENCE IDALLKAGFG FYHDRWGPNV VRFVTSFATT AEDVDHLLNQ VRLAA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.265 176.300 -0.058 0.000 0.893 6 R CA 0.000 56.075 56.100 -0.041 0.000 0.921 6 R CB 0.000 30.277 30.300 -0.039 0.000 0.687 7 P HA 0.314 nan 4.420 nan 0.000 0.274 7 P C -2.582 174.643 177.300 -0.126 0.000 1.237 7 P CA -0.929 62.108 63.100 -0.106 0.000 0.793 7 P CB 0.329 31.965 31.700 -0.106 0.000 0.977 8 P HA 0.124 nan 4.420 nan 0.000 0.271 8 P C -1.048 176.173 177.300 -0.132 0.000 1.216 8 P CA -0.207 62.791 63.100 -0.170 0.000 0.771 8 P CB 0.589 32.077 31.700 -0.354 0.000 0.864 9 A N 4.322 127.092 122.820 -0.084 0.000 2.396 9 A HA 0.213 4.533 4.320 -0.000 0.000 0.279 9 A C 1.335 178.883 177.584 -0.061 0.000 1.165 9 A CA -0.460 51.510 52.037 -0.111 0.000 0.824 9 A CB -0.602 18.293 19.000 -0.174 0.000 1.100 9 A HN 0.598 nan 8.150 nan 0.000 0.516 10 L N 3.078 124.284 121.223 -0.029 0.000 2.599 10 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 10 L C 1.474 178.504 176.870 0.267 0.000 1.141 10 L CA 0.255 55.155 54.840 0.100 0.000 0.877 10 L CB -0.296 41.677 42.059 -0.144 0.000 1.009 10 L HN 0.742 nan 8.230 nan 0.000 0.447 11 G N -0.844 107.966 108.800 0.016 0.000 2.320 11 G HA2 0.424 4.384 3.960 -0.000 0.000 0.300 11 G HA3 0.424 4.384 3.960 -0.000 0.000 0.300 11 G C -0.473 174.363 174.900 -0.106 0.000 1.126 11 G CA -0.204 44.933 45.100 0.062 0.000 0.896 11 G HN 0.119 nan 8.290 nan 0.000 0.436 12 F N 1.434 121.555 119.950 0.285 0.000 2.817 12 F HA 0.115 4.642 4.527 -0.000 0.000 0.319 12 F C 2.150 178.120 175.800 0.284 0.000 1.136 12 F CA -0.142 58.041 58.000 0.304 0.000 1.177 12 F CB 0.669 39.947 39.000 0.463 0.000 1.088 12 F HN 0.528 nan 8.300 nan 0.000 0.520 13 S N -1.047 114.854 115.700 0.335 0.000 2.356 13 S HA -0.023 4.446 4.470 -0.000 0.000 0.223 13 S C 0.950 175.780 174.600 0.384 0.000 1.032 13 S CA 1.076 59.434 58.200 0.263 0.000 1.005 13 S CB -0.002 63.221 63.200 0.039 0.000 0.867 13 S HN 0.250 nan 8.310 nan 0.000 0.449 14 S N 0.078 115.942 115.700 0.273 0.000 2.615 14 S HA 0.364 4.834 4.470 -0.000 0.000 0.268 14 S C -1.162 173.538 174.600 0.166 0.000 1.146 14 S CA -0.016 58.328 58.200 0.239 0.000 0.818 14 S CB 0.943 64.296 63.200 0.255 0.000 1.111 14 S HN 0.308 nan 8.310 nan 0.000 0.465 15 D N 1.260 121.753 120.400 0.154 0.000 2.363 15 D HA -0.050 4.589 4.640 -0.000 0.000 0.220 15 D C 1.165 177.551 176.300 0.144 0.000 0.994 15 D CA 0.660 54.743 54.000 0.139 0.000 0.890 15 D CB -1.013 39.883 40.800 0.159 0.000 0.906 15 D HN 0.721 nan 8.370 nan 0.000 0.530 16 N N 1.158 119.941 118.700 0.138 0.000 2.521 16 N HA -0.059 4.681 4.740 -0.000 0.000 0.188 16 N C 1.720 177.297 175.510 0.111 0.000 1.146 16 N CA 0.155 53.280 53.050 0.125 0.000 0.893 16 N CB -0.331 38.227 38.487 0.120 0.000 0.975 16 N HN 0.387 nan 8.380 nan 0.000 0.451 17 I N -3.159 117.470 120.570 0.098 0.000 3.603 17 I HA 0.338 4.508 4.170 -0.000 0.000 0.297 17 I C 0.918 177.069 176.117 0.057 0.000 1.269 17 I CA -0.618 60.724 61.300 0.069 0.000 1.361 17 I CB -0.024 38.005 38.000 0.048 0.000 1.063 17 I HN -0.017 nan 8.210 nan 0.000 0.448 18 A N 1.666 124.533 122.820 0.078 0.000 2.313 18 A HA 0.625 4.945 4.320 -0.000 0.000 0.261 18 A C 0.967 178.660 177.584 0.181 0.000 1.090 18 A CA 0.251 52.337 52.037 0.082 0.000 0.807 18 A CB 0.087 19.123 19.000 0.059 0.000 1.055 18 A HN 0.407 nan 8.150 nan 0.000 0.492 19 G N -0.583 108.338 108.800 0.202 0.000 3.229 19 G HA2 0.563 4.523 3.960 -0.000 0.000 0.165 19 G HA3 0.563 4.523 3.960 -0.000 0.000 0.165 19 G C 0.173 175.272 174.900 0.331 0.000 1.753 19 G CA 0.355 45.587 45.100 0.221 0.000 1.054 19 G HN 1.756 nan 8.290 nan 0.000 0.544 20 A N -1.329 121.664 122.820 0.289 0.000 2.475 20 A HA 0.680 5.000 4.320 -0.000 0.000 0.301 20 A C -0.075 177.619 177.584 0.184 0.000 1.059 20 A CA -0.352 51.775 52.037 0.151 0.000 0.710 20 A CB 1.279 20.316 19.000 0.062 0.000 1.288 20 A HN 0.705 nan 8.150 nan 0.000 0.408 21 S N 3.270 118.971 115.700 0.003 0.000 2.552 21 S HA 0.161 4.631 4.470 -0.000 0.000 0.289 21 S C -1.195 173.471 174.600 0.111 0.000 1.304 21 S CA -0.039 58.234 58.200 0.121 0.000 1.063 21 S CB 0.452 63.657 63.200 0.008 0.000 0.848 21 S HN 0.660 nan 8.310 nan 0.000 0.499 22 P HA -0.163 nan 4.420 nan 0.000 0.218 22 P C 0.630 177.975 177.300 0.075 0.000 1.146 22 P CA 1.218 64.372 63.100 0.090 0.000 0.813 22 P CB 0.193 31.942 31.700 0.082 0.000 0.778 23 E N -0.288 119.958 120.200 0.076 0.000 2.204 23 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 23 E C 2.112 178.759 176.600 0.080 0.000 0.989 23 E CA 0.735 57.179 56.400 0.073 0.000 0.824 23 E CB -0.891 28.852 29.700 0.073 0.000 0.756 23 E HN 0.118 nan 8.360 nan 0.000 0.477 24 V N 0.914 120.874 119.914 0.076 0.000 2.283 24 V HA -0.222 3.897 4.120 -0.000 0.000 0.243 24 V C 2.272 178.413 176.094 0.079 0.000 1.039 24 V CA 1.753 64.100 62.300 0.078 0.000 1.016 24 V CB -0.937 30.921 31.823 0.057 0.000 0.650 24 V HN 0.351 nan 8.190 nan 0.000 0.449 25 A N -0.525 122.335 122.820 0.067 0.000 1.940 25 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 25 A C 2.168 179.789 177.584 0.062 0.000 1.176 25 A CA 1.694 53.765 52.037 0.058 0.000 0.631 25 A CB -0.467 18.562 19.000 0.049 0.000 0.814 25 A HN 0.559 nan 8.150 nan 0.000 0.446 26 Q N -0.647 119.192 119.800 0.065 0.000 2.224 26 Q HA -0.033 4.306 4.340 -0.000 0.000 0.203 26 Q C 2.335 178.384 176.000 0.081 0.000 0.970 26 Q CA 1.342 57.180 55.803 0.060 0.000 0.865 26 Q CB -0.658 28.111 28.738 0.051 0.000 0.922 26 Q HN 0.686 nan 8.270 nan 0.000 0.445 27 A N 0.836 123.724 122.820 0.114 0.000 1.930 27 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 27 A C 2.212 179.948 177.584 0.254 0.000 1.175 27 A CA 0.825 52.976 52.037 0.189 0.000 0.627 27 A CB -0.570 18.544 19.000 0.189 0.000 0.815 27 A HN 0.295 nan 8.150 nan 0.000 0.443 28 L N -0.637 120.699 121.223 0.188 0.000 2.093 28 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 28 L C 2.500 179.468 176.870 0.165 0.000 1.085 28 L CA 0.859 55.824 54.840 0.209 0.000 0.755 28 L CB -0.574 41.545 42.059 0.100 0.000 0.904 28 L HN 0.235 nan 8.230 nan 0.000 0.435 29 V N 0.296 120.265 119.914 0.091 0.000 2.261 29 V HA -0.329 3.790 4.120 -0.000 0.000 0.246 29 V C 2.597 178.718 176.094 0.046 0.000 1.047 29 V CA 2.070 64.400 62.300 0.051 0.000 1.015 29 V CB -0.555 31.285 31.823 0.028 0.000 0.642 29 V HN 0.467 nan 8.190 nan 0.000 0.446 30 K N -0.726 119.683 120.400 0.014 0.000 2.103 30 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 30 K C 1.824 178.311 176.600 -0.188 0.000 1.048 30 K CA 1.661 57.880 56.287 -0.112 0.000 0.930 30 K CB -0.173 32.205 32.500 -0.203 0.000 0.716 30 K HN 0.563 nan 8.250 nan 0.000 0.444 31 H N -0.310 118.828 119.070 0.113 0.000 2.524 31 H HA 0.148 4.703 4.556 -0.000 0.000 0.280 31 H C 1.025 176.506 175.328 0.256 0.000 1.018 31 H CA 0.161 56.288 56.048 0.133 0.000 1.165 31 H CB 0.725 30.549 29.762 0.104 0.000 1.411 31 H HN 0.157 nan 8.280 nan 0.000 0.569 32 S N 0.391 116.273 115.700 0.304 0.000 2.558 32 S HA -0.013 4.457 4.470 -0.000 0.000 0.217 32 S C 1.205 175.924 174.600 0.199 0.000 0.975 32 S CA -0.039 58.349 58.200 0.313 0.000 0.912 32 S CB 0.268 63.542 63.200 0.124 0.000 0.776 32 S HN 0.437 nan 8.310 nan 0.000 0.526 33 S N 0.304 116.078 115.700 0.123 0.000 2.722 33 S HA 0.810 5.280 4.470 -0.000 0.000 0.292 33 S C 0.550 175.187 174.600 0.062 0.000 1.135 33 S CA -0.158 58.086 58.200 0.073 0.000 1.003 33 S CB 1.180 64.401 63.200 0.034 0.000 1.067 33 S HN 0.661 nan 8.310 nan 0.000 0.546 34 G N 0.651 109.476 108.800 0.042 0.000 2.750 34 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.228 34 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.228 34 G C -1.036 173.880 174.900 0.026 0.000 1.367 34 G CA -0.380 44.736 45.100 0.028 0.000 0.871 34 G HN 0.949 nan 8.290 nan 0.000 0.560 35 Q N -0.730 119.076 119.800 0.010 0.000 2.297 35 Q HA 0.742 5.082 4.340 -0.000 0.000 0.268 35 Q C -0.026 175.959 176.000 -0.024 0.000 1.045 35 Q CA -0.365 55.435 55.803 -0.004 0.000 0.861 35 Q CB 2.233 30.969 28.738 -0.003 0.000 1.344 35 Q HN 1.784 nan 8.270 nan 0.000 0.452 36 A N 0.233 123.024 122.820 -0.050 0.000 2.540 36 A HA 0.672 4.992 4.320 -0.000 0.000 0.297 36 A C -0.391 177.144 177.584 -0.081 0.000 1.056 36 A CA -0.350 51.644 52.037 -0.072 0.000 0.700 36 A CB 1.244 20.173 19.000 -0.118 0.000 1.280 36 A HN 0.724 nan 8.150 nan 0.000 0.398 37 G N 2.456 111.218 108.800 -0.063 0.000 2.391 37 G HA2 0.444 4.404 3.960 -0.000 0.000 0.234 37 G HA3 0.444 4.404 3.960 -0.000 0.000 0.234 37 G C -2.017 172.830 174.900 -0.088 0.000 1.284 37 G CA -0.335 44.734 45.100 -0.051 0.000 0.873 37 G HN 0.554 nan 8.290 nan 0.000 0.549 38 P HA 0.212 nan 4.420 nan 0.000 0.284 38 P C -0.614 176.620 177.300 -0.109 0.000 1.292 38 P CA -0.645 62.317 63.100 -0.230 0.000 0.800 38 P CB 0.574 32.051 31.700 -0.370 0.000 1.188 39 Y N -1.586 118.693 120.300 -0.035 0.000 3.491 39 Y HA -0.204 4.346 4.550 -0.000 0.000 0.215 39 Y C 1.445 177.319 175.900 -0.044 0.000 1.219 39 Y CA 0.931 59.015 58.100 -0.027 0.000 1.485 39 Y CB -2.657 35.795 38.460 -0.014 0.000 1.450 39 Y HN 0.821 nan 8.280 nan 0.000 0.603 40 G N -1.048 107.757 108.800 0.008 0.000 2.143 40 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.249 40 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.249 40 G C 0.565 175.441 174.900 -0.040 0.000 0.981 40 G CA 0.738 45.819 45.100 -0.031 0.000 0.665 40 G HN 1.104 nan 8.290 nan 0.000 0.528 41 T N -1.034 113.506 114.554 -0.023 0.000 3.206 41 T HA 0.388 4.738 4.350 -0.000 0.000 0.253 41 T C 0.611 175.284 174.700 -0.045 0.000 1.042 41 T CA 0.543 62.628 62.100 -0.026 0.000 0.931 41 T CB 0.222 69.093 68.868 0.004 0.000 1.029 41 T HN 0.665 nan 8.240 nan 0.000 0.564 42 D N 0.759 121.118 120.400 -0.069 0.000 2.387 42 D HA 0.212 4.852 4.640 -0.000 0.000 0.255 42 D C 0.612 176.869 176.300 -0.071 0.000 1.081 42 D CA -0.738 53.216 54.000 -0.076 0.000 0.994 42 D CB 1.558 42.291 40.800 -0.112 0.000 1.127 42 D HN 0.145 nan 8.370 nan 0.000 0.513 43 E N -0.792 119.373 120.200 -0.059 0.000 2.072 43 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 43 E C 1.829 178.392 176.600 -0.062 0.000 0.985 43 E CA 0.438 56.810 56.400 -0.048 0.000 0.801 43 E CB -0.063 29.622 29.700 -0.025 0.000 0.750 43 E HN 0.295 nan 8.360 nan 0.000 0.452 44 L N 0.984 122.152 121.223 -0.092 0.000 2.012 44 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 44 L C 2.205 179.007 176.870 -0.114 0.000 1.073 44 L CA 1.968 56.727 54.840 -0.134 0.000 0.748 44 L CB -0.824 41.067 42.059 -0.279 0.000 0.891 44 L HN 0.069 nan 8.230 nan 0.000 0.431 45 T N -0.192 114.292 114.554 -0.116 0.000 2.720 45 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 45 T C 1.893 176.547 174.700 -0.076 0.000 1.037 45 T CA 1.450 63.493 62.100 -0.095 0.000 1.144 45 T CB -0.575 68.232 68.868 -0.101 0.000 0.864 45 T HN 0.540 nan 8.240 nan 0.000 0.444 46 A N 1.155 123.931 122.820 -0.074 0.000 1.902 46 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 46 A C 2.273 179.829 177.584 -0.047 0.000 1.181 46 A CA 2.064 54.063 52.037 -0.064 0.000 0.623 46 A CB -0.812 18.154 19.000 -0.056 0.000 0.818 46 A HN 0.603 nan 8.150 nan 0.000 0.443 47 Q N -0.229 119.545 119.800 -0.044 0.000 2.061 47 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 47 Q C 1.924 177.907 176.000 -0.029 0.000 0.984 47 Q CA 2.263 58.046 55.803 -0.033 0.000 0.846 47 Q CB -0.297 28.421 28.738 -0.033 0.000 0.902 47 Q HN 0.370 nan 8.270 nan 0.000 0.421 48 V N 1.307 121.206 119.914 -0.025 0.000 2.332 48 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 48 V C 2.235 178.392 176.094 0.104 0.000 1.055 48 V CA 2.249 64.556 62.300 0.012 0.000 1.038 48 V CB -0.527 31.324 31.823 0.048 0.000 0.651 48 V HN 0.374 nan 8.190 nan 0.000 0.450 49 K N -0.314 120.123 120.400 0.060 0.000 2.057 49 K HA -0.166 4.153 4.320 -0.000 0.000 0.207 49 K C 2.373 179.005 176.600 0.053 0.000 1.049 49 K CA 1.384 57.700 56.287 0.049 0.000 0.931 49 K CB -0.266 32.184 32.500 -0.084 0.000 0.714 49 K HN 0.389 nan 8.250 nan 0.000 0.440 50 R N 1.059 121.565 120.500 0.010 0.000 2.096 50 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 50 R C 2.141 178.447 176.300 0.010 0.000 1.127 50 R CA 1.228 57.331 56.100 0.004 0.000 0.968 50 R CB -0.053 30.241 30.300 -0.010 0.000 0.861 50 R HN 0.162 nan 8.270 nan 0.000 0.440 51 K N -0.346 120.038 120.400 -0.025 0.000 2.097 51 K HA -0.104 4.215 4.320 -0.000 0.000 0.205 51 K C 1.816 178.336 176.600 -0.133 0.000 1.050 51 K CA 1.251 57.474 56.287 -0.106 0.000 0.938 51 K CB -0.096 32.280 32.500 -0.207 0.000 0.718 51 K HN 0.094 nan 8.250 nan 0.000 0.442 52 F N 0.685 120.595 119.950 -0.066 0.000 2.186 52 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 52 F C 2.536 178.416 175.800 0.132 0.000 1.090 52 F CA 0.783 58.776 58.000 -0.012 0.000 1.307 52 F CB -0.302 38.600 39.000 -0.164 0.000 1.019 52 F HN 0.056 nan 8.300 nan 0.000 0.489 53 C N -0.074 119.354 119.300 0.213 0.000 2.429 53 C HA -0.148 4.311 4.460 -0.000 0.000 0.277 53 C C 2.622 177.719 174.990 0.178 0.000 1.262 53 C CA 0.961 60.080 59.018 0.167 0.000 1.733 53 C CB -0.996 26.785 27.740 0.069 0.000 2.010 53 C HN 0.481 nan 8.230 nan 0.000 0.483 54 E N 0.859 121.127 120.200 0.114 0.000 2.017 54 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 54 E C 1.965 178.635 176.600 0.117 0.000 0.997 54 E CA 1.271 57.726 56.400 0.093 0.000 0.804 54 E CB -0.240 29.485 29.700 0.042 0.000 0.757 54 E HN 0.604 nan 8.360 nan 0.000 0.448 55 I N 0.211 120.830 120.570 0.081 0.000 2.194 55 I HA -0.268 3.902 4.170 -0.000 0.000 0.246 55 I C 1.681 177.808 176.117 0.017 0.000 1.093 55 I CA 1.295 62.611 61.300 0.028 0.000 1.355 55 I CB -0.134 37.797 38.000 -0.116 0.000 1.046 55 I HN 0.046 nan 8.210 nan 0.000 0.413 56 F N 0.557 120.664 119.950 0.263 0.000 2.765 56 F HA 0.100 4.626 4.527 -0.000 0.000 0.302 56 F C 0.821 176.914 175.800 0.488 0.000 1.111 56 F CA -0.025 58.232 58.000 0.428 0.000 1.359 56 F CB -0.317 39.004 39.000 0.534 0.000 1.097 56 F HN 0.036 nan 8.300 nan 0.000 0.577 57 E N 0.937 121.388 120.200 0.418 0.000 2.360 57 E HA -0.287 4.062 4.350 -0.000 0.000 0.238 57 E C 0.298 177.098 176.600 0.333 0.000 1.186 57 E CA 0.391 56.999 56.400 0.347 0.000 0.719 57 E CB -1.029 28.887 29.700 0.359 0.000 1.236 57 E HN 0.497 nan 8.360 nan 0.000 0.386 58 R N 0.246 120.873 120.500 0.211 0.000 2.687 58 R HA 0.131 4.470 4.340 -0.000 0.000 0.265 58 R C -1.878 174.405 176.300 -0.030 0.000 1.048 58 R CA -0.807 55.270 56.100 -0.039 0.000 0.884 58 R CB 1.205 31.233 30.300 -0.453 0.000 1.258 58 R HN -0.106 nan 8.270 nan 0.000 0.469 59 D N 2.497 122.838 120.400 -0.097 0.000 2.358 59 D HA 0.234 4.874 4.640 -0.000 0.000 0.258 59 D C -0.105 176.124 176.300 -0.119 0.000 1.223 59 D CA 0.355 54.305 54.000 -0.084 0.000 0.886 59 D CB 1.189 41.935 40.800 -0.089 0.000 1.120 59 D HN 0.353 nan 8.370 nan 0.000 0.482 60 V N -0.168 119.674 119.914 -0.121 0.000 3.001 60 V HA 0.601 4.721 4.120 -0.000 0.000 0.314 60 V C -0.240 175.696 176.094 -0.264 0.000 1.099 60 V CA -0.971 61.202 62.300 -0.212 0.000 0.989 60 V CB 2.684 34.332 31.823 -0.292 0.000 1.040 60 V HN 0.138 nan 8.190 nan 0.000 0.434 61 E N 1.493 121.505 120.200 -0.314 0.000 2.175 61 E HA 0.639 4.989 4.350 -0.000 0.000 0.278 61 E C -1.106 175.188 176.600 -0.511 0.000 0.969 61 E CA -0.365 55.816 56.400 -0.364 0.000 0.796 61 E CB 2.083 31.677 29.700 -0.176 0.000 1.104 61 E HN 0.643 nan 8.360 nan 0.000 0.395 62 V N 3.739 123.217 119.914 -0.726 0.000 2.555 62 V HA 0.472 4.592 4.120 -0.000 0.000 0.302 62 V C -0.809 174.754 176.094 -0.885 0.000 1.038 62 V CA -0.753 61.102 62.300 -0.741 0.000 0.887 62 V CB 0.987 32.356 31.823 -0.756 0.000 0.991 62 V HN 0.470 nan 8.190 nan 0.000 0.434 63 F N 4.171 123.920 119.950 -0.335 0.000 2.659 63 F HA 0.536 5.063 4.527 -0.000 0.000 0.342 63 F C -0.116 175.571 175.800 -0.188 0.000 1.168 63 F CA -0.569 57.302 58.000 -0.216 0.000 1.003 63 F CB 1.241 40.134 39.000 -0.179 0.000 1.267 63 F HN 0.182 nan 8.300 nan 0.000 0.463 64 L N 4.832 126.043 121.223 -0.019 0.000 2.367 64 L HA 0.653 4.993 4.340 -0.000 0.000 0.275 64 L C 0.069 176.966 176.870 0.046 0.000 1.129 64 L CA -0.723 54.112 54.840 -0.008 0.000 0.839 64 L CB 0.606 42.660 42.059 -0.010 0.000 1.133 64 L HN 0.460 nan 8.230 nan 0.000 0.453 65 V N 0.759 120.693 119.914 0.033 0.000 3.102 65 V HA 0.472 4.591 4.120 -0.000 0.000 0.312 65 V C -2.412 173.717 176.094 0.059 0.000 1.135 65 V CA -1.657 60.675 62.300 0.054 0.000 1.022 65 V CB 1.776 33.578 31.823 -0.034 0.000 1.056 65 V HN 0.381 nan 8.190 nan 0.000 0.436 66 P HA 0.028 nan 4.420 nan 0.000 0.217 66 P C 0.571 177.912 177.300 0.069 0.000 1.150 66 P CA 1.920 65.093 63.100 0.122 0.000 0.832 66 P CB 0.028 31.857 31.700 0.215 0.000 0.787 67 T N -6.496 108.074 114.554 0.027 0.000 2.883 67 T HA 0.577 4.927 4.350 -0.000 0.000 0.296 67 T C 1.239 175.904 174.700 -0.059 0.000 1.117 67 T CA -0.327 61.774 62.100 0.001 0.000 1.006 67 T CB 1.453 70.347 68.868 0.043 0.000 1.191 67 T HN -0.046 nan 8.240 nan 0.000 0.508 68 G N 0.201 108.969 108.800 -0.053 0.000 2.421 68 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.217 68 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.217 68 G C 1.259 176.099 174.900 -0.099 0.000 1.143 68 G CA 1.082 46.135 45.100 -0.079 0.000 0.784 68 G HN 0.769 nan 8.290 nan 0.000 0.541 69 T N 1.549 116.063 114.554 -0.067 0.000 2.746 69 T HA 0.025 4.375 4.350 -0.000 0.000 0.267 69 T C 2.822 177.385 174.700 -0.229 0.000 1.039 69 T CA 1.427 63.496 62.100 -0.052 0.000 1.142 69 T CB -0.274 68.629 68.868 0.060 0.000 0.866 69 T HN 0.348 nan 8.240 nan 0.000 0.444 70 A N 1.408 124.062 122.820 -0.278 0.000 1.898 70 A HA 0.189 4.508 4.320 -0.000 0.000 0.216 70 A C 2.645 179.940 177.584 -0.481 0.000 1.181 70 A CA 1.778 53.492 52.037 -0.539 0.000 0.620 70 A CB -1.113 17.373 19.000 -0.857 0.000 0.819 70 A HN 0.493 nan 8.150 nan 0.000 0.442 71 A N 0.390 123.033 122.820 -0.296 0.000 1.883 71 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 71 A C 1.971 179.419 177.584 -0.226 0.000 1.186 71 A CA 1.994 53.907 52.037 -0.207 0.000 0.624 71 A CB -0.676 18.264 19.000 -0.101 0.000 0.822 71 A HN 0.548 nan 8.150 nan 0.000 0.444 72 N N 0.416 118.986 118.700 -0.216 0.000 2.039 72 N HA -0.105 4.635 4.740 -0.000 0.000 0.193 72 N C 1.973 177.227 175.510 -0.427 0.000 1.044 72 N CA 1.851 54.742 53.050 -0.264 0.000 0.847 72 N CB -0.818 37.596 38.487 -0.121 0.000 1.030 72 N HN 0.439 nan 8.380 nan 0.000 0.422 73 A N 1.246 123.753 122.820 -0.521 0.000 1.908 73 A HA -0.100 4.219 4.320 -0.000 0.000 0.218 73 A C 2.443 179.680 177.584 -0.578 0.000 1.181 73 A CA 1.142 52.762 52.037 -0.694 0.000 0.627 73 A CB -0.879 17.272 19.000 -1.414 0.000 0.818 73 A HN 0.243 nan 8.150 nan 0.000 0.445 74 L N -1.015 119.875 121.223 -0.555 0.000 2.017 74 L HA -0.252 4.087 4.340 -0.000 0.000 0.208 74 L C 2.808 179.530 176.870 -0.246 0.000 1.073 74 L CA 1.417 56.106 54.840 -0.252 0.000 0.745 74 L CB -0.715 41.213 42.059 -0.217 0.000 0.894 74 L HN 0.506 nan 8.230 nan 0.000 0.432 75 C N -0.107 119.016 119.300 -0.294 0.000 2.413 75 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 75 C C 2.745 177.581 174.990 -0.257 0.000 1.228 75 C CA 0.712 59.573 59.018 -0.262 0.000 1.731 75 C CB -0.845 26.728 27.740 -0.279 0.000 2.042 75 C HN 0.424 nan 8.230 nan 0.000 0.468 76 L N 1.585 122.606 121.223 -0.337 0.000 2.083 76 L HA -0.124 4.215 4.340 -0.000 0.000 0.209 76 L C 2.715 179.486 176.870 -0.164 0.000 1.083 76 L CA 1.878 56.570 54.840 -0.246 0.000 0.752 76 L CB -0.735 41.167 42.059 -0.262 0.000 0.899 76 L HN 0.506 nan 8.230 nan 0.000 0.433 77 S N 0.075 115.686 115.700 -0.149 0.000 2.419 77 S HA -0.101 4.368 4.470 -0.000 0.000 0.233 77 S C 1.908 176.438 174.600 -0.116 0.000 1.016 77 S CA 0.783 58.922 58.200 -0.101 0.000 0.974 77 S CB -0.279 62.904 63.200 -0.028 0.000 0.786 77 S HN 0.344 nan 8.310 nan 0.000 0.492 78 A N 0.561 123.305 122.820 -0.127 0.000 2.251 78 A HA 0.519 4.839 4.320 -0.000 0.000 0.209 78 A C 1.755 179.278 177.584 -0.101 0.000 1.187 78 A CA 0.124 52.090 52.037 -0.118 0.000 0.823 78 A CB -0.429 18.488 19.000 -0.138 0.000 0.846 78 A HN 0.596 nan 8.150 nan 0.000 0.486 79 M N -0.856 118.683 119.600 -0.101 0.000 2.347 79 M HA 0.174 4.654 4.480 -0.000 0.000 0.302 79 M C 0.200 176.449 176.300 -0.084 0.000 1.051 79 M CA 0.300 55.558 55.300 -0.071 0.000 0.988 79 M CB 1.075 33.650 32.600 -0.041 0.000 1.475 79 M HN 0.172 nan 8.290 nan 0.000 0.530 80 T N 1.432 115.908 114.554 -0.131 0.000 2.982 80 T HA 0.492 4.842 4.350 -0.000 0.000 0.321 80 T C -2.881 171.646 174.700 -0.289 0.000 1.229 80 T CA -1.356 60.637 62.100 -0.178 0.000 1.044 80 T CB 2.143 70.921 68.868 -0.150 0.000 1.184 80 T HN -0.081 nan 8.240 nan 0.000 0.477 81 P HA 0.413 nan 4.420 nan 0.000 0.278 81 P C -2.330 174.545 177.300 -0.709 0.000 1.266 81 P CA -1.479 61.137 63.100 -0.808 0.000 0.807 81 P CB 0.486 31.283 31.700 -1.504 0.000 1.094 82 P HA -0.104 nan 4.420 nan 0.000 0.218 82 P C 0.757 177.994 177.300 -0.106 0.000 1.148 82 P CA 1.570 64.527 63.100 -0.239 0.000 0.822 82 P CB -0.402 31.265 31.700 -0.055 0.000 0.784 83 W N -1.205 120.092 121.300 -0.004 0.000 3.400 83 W HA 0.522 5.181 4.660 -0.000 0.000 0.347 83 W C 0.432 176.949 176.519 -0.003 0.000 1.218 83 W CA -0.468 56.875 57.345 -0.003 0.000 1.837 83 W CB -0.941 28.517 29.460 -0.003 0.000 1.067 83 W HN -0.237 nan 8.180 nan 0.000 0.701 84 G N 1.138 109.825 108.800 -0.187 0.000 2.488 84 G HA2 0.458 4.418 3.960 -0.000 0.000 0.318 84 G HA3 0.458 4.418 3.960 -0.000 0.000 0.318 84 G C -1.037 173.812 174.900 -0.085 0.000 1.188 84 G CA -1.199 43.833 45.100 -0.114 0.000 0.944 84 G HN 0.255 nan 8.290 nan 0.000 0.495 85 N N -0.974 117.671 118.700 -0.090 0.000 2.362 85 N HA 0.475 5.215 4.740 -0.000 0.000 0.298 85 N C -1.033 174.292 175.510 -0.308 0.000 1.048 85 N CA -0.549 52.352 53.050 -0.248 0.000 0.858 85 N CB 2.522 40.773 38.487 -0.393 0.000 1.218 85 N HN 0.231 nan 8.380 nan 0.000 0.488 86 I N 3.055 123.420 120.570 -0.342 0.000 2.359 86 I HA 0.227 4.397 4.170 -0.000 0.000 0.284 86 I C -0.872 175.075 176.117 -0.283 0.000 1.018 86 I CA -0.615 60.562 61.300 -0.206 0.000 1.173 86 I CB 0.322 38.257 38.000 -0.108 0.000 1.326 86 I HN 0.407 nan 8.210 nan 0.000 0.462 87 Y N 5.637 125.959 120.300 0.038 0.000 2.319 87 Y HA 0.425 4.974 4.550 -0.000 0.000 0.328 87 Y C 0.718 176.660 175.900 0.070 0.000 1.133 87 Y CA -0.351 57.778 58.100 0.048 0.000 1.265 87 Y CB 0.917 39.404 38.460 0.046 0.000 1.218 87 Y HN 0.648 nan 8.280 nan 0.000 0.508 88 C N 0.779 120.191 119.300 0.186 0.000 3.306 88 C HA 0.373 4.833 4.460 -0.000 0.000 0.335 88 C C -0.722 174.379 174.990 0.185 0.000 1.382 88 C CA -1.139 57.990 59.018 0.186 0.000 1.254 88 C CB 1.385 29.213 27.740 0.147 0.000 1.555 88 C HN 0.883 nan 8.230 nan 0.000 0.463 89 H N 2.661 121.816 119.070 0.142 0.000 2.732 89 H HA 0.235 4.791 4.556 -0.000 0.000 0.351 89 H C -1.380 174.005 175.328 0.095 0.000 1.090 89 H CA -0.549 55.574 56.048 0.125 0.000 1.431 89 H CB 1.835 31.681 29.762 0.140 0.000 1.447 89 H HN 0.574 nan 8.280 nan 0.000 0.582 90 P HA -0.097 nan 4.420 nan 0.000 0.222 90 P C 0.564 177.964 177.300 0.167 0.000 1.147 90 P CA 1.224 64.325 63.100 0.002 0.000 0.790 90 P CB 0.160 31.799 31.700 -0.102 0.000 0.780 91 A N -0.081 123.020 122.820 0.468 0.000 2.345 91 A HA 0.209 4.529 4.320 -0.000 0.000 0.225 91 A C 1.125 178.848 177.584 0.233 0.000 1.243 91 A CA -0.047 52.183 52.037 0.321 0.000 0.875 91 A CB -0.765 18.422 19.000 0.312 0.000 0.929 91 A HN 0.320 nan 8.150 nan 0.000 0.502 92 S N -1.216 114.635 115.700 0.251 0.000 2.584 92 S HA 0.066 4.536 4.470 -0.000 0.000 0.270 92 S C 1.042 175.745 174.600 0.172 0.000 1.346 92 S CA 0.110 58.435 58.200 0.209 0.000 1.018 92 S CB 0.281 63.612 63.200 0.219 0.000 0.899 92 S HN 0.483 nan 8.310 nan 0.000 0.542 93 H N 1.948 121.081 119.070 0.104 0.000 2.353 93 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 93 H C 1.808 177.172 175.328 0.060 0.000 1.090 93 H CA 2.243 58.338 56.048 0.078 0.000 1.327 93 H CB -0.139 29.671 29.762 0.079 0.000 1.383 93 H HN 0.842 nan 8.280 nan 0.000 0.508 94 I N -0.883 119.793 120.570 0.176 0.000 2.454 94 I HA -0.174 3.996 4.170 -0.000 0.000 0.254 94 I C 1.868 178.001 176.117 0.026 0.000 1.156 94 I CA 1.966 63.321 61.300 0.091 0.000 1.433 94 I CB -0.410 37.637 38.000 0.079 0.000 1.082 94 I HN 0.022 nan 8.210 nan 0.000 0.432 95 N N 0.561 119.281 118.700 0.033 0.000 2.353 95 N HA -0.001 4.738 4.740 -0.000 0.000 0.185 95 N C 1.230 176.728 175.510 -0.019 0.000 1.098 95 N CA 0.456 53.514 53.050 0.014 0.000 0.872 95 N CB 0.168 38.679 38.487 0.040 0.000 0.970 95 N HN 0.412 nan 8.380 nan 0.000 0.467 96 N N -1.175 117.486 118.700 -0.065 0.000 2.486 96 N HA 0.064 4.804 4.740 -0.000 0.000 0.242 96 N C -0.626 174.780 175.510 -0.175 0.000 1.083 96 N CA 0.349 53.339 53.050 -0.099 0.000 0.844 96 N CB 0.648 39.089 38.487 -0.076 0.000 1.527 96 N HN 0.179 nan 8.380 nan 0.000 0.462 97 D N 1.135 121.317 120.400 -0.363 0.000 2.670 97 D HA 0.176 4.816 4.640 -0.000 0.000 0.255 97 D C -0.118 175.984 176.300 -0.330 0.000 1.286 97 D CA 0.158 53.910 54.000 -0.414 0.000 0.830 97 D CB 0.660 41.127 40.800 -0.555 0.000 1.065 97 D HN 0.303 nan 8.370 nan 0.000 0.486 98 E N -0.309 119.794 120.200 -0.163 0.000 2.660 98 E HA 0.079 4.429 4.350 -0.000 0.000 0.216 98 E C 0.175 176.791 176.600 0.027 0.000 0.986 98 E CA -0.229 56.167 56.400 -0.006 0.000 1.037 98 E CB 0.644 30.370 29.700 0.043 0.000 1.041 98 E HN 0.110 nan 8.360 nan 0.000 0.480 99 C N 1.247 120.543 119.300 -0.006 0.000 4.056 99 C HA -0.241 4.219 4.460 -0.000 0.000 0.298 99 C C 1.500 176.507 174.990 0.029 0.000 1.456 99 C CA 0.938 59.959 59.018 0.005 0.000 2.037 99 C CB -2.379 25.367 27.740 0.010 0.000 1.295 99 C HN 0.924 nan 8.230 nan 0.000 0.733 100 G N -0.628 108.193 108.800 0.035 0.000 2.160 100 G HA2 0.036 3.996 3.960 -0.000 0.000 0.244 100 G HA3 0.036 3.996 3.960 -0.000 0.000 0.244 100 G C 1.117 176.108 174.900 0.151 0.000 1.022 100 G CA 1.140 46.280 45.100 0.067 0.000 0.741 100 G HN 2.240 nan 8.290 nan 0.000 0.508 101 A N 0.339 123.257 122.820 0.164 0.000 1.908 101 A HA 0.122 4.441 4.320 -0.000 0.000 0.218 101 A C 0.693 178.417 177.584 0.232 0.000 1.181 101 A CA 2.418 54.627 52.037 0.287 0.000 0.627 101 A CB -0.904 18.172 19.000 0.126 0.000 0.818 101 A HN 0.481 nan 8.150 nan 0.000 0.445 102 P HA -0.121 nan 4.420 nan 0.000 0.216 102 P C 1.008 178.361 177.300 0.088 0.000 1.153 102 P CA 1.492 64.595 63.100 0.006 0.000 0.848 102 P CB -0.046 31.634 31.700 -0.034 0.000 0.787 103 E N -1.435 118.833 120.200 0.113 0.000 2.110 103 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 103 E C 1.754 178.481 176.600 0.212 0.000 0.988 103 E CA 0.968 57.439 56.400 0.118 0.000 0.804 103 E CB -0.962 28.795 29.700 0.095 0.000 0.745 103 E HN 0.288 nan 8.360 nan 0.000 0.458 104 F N -0.378 119.644 119.950 0.119 0.000 2.039 104 F HA -0.217 4.310 4.527 -0.000 0.000 0.294 104 F C 1.639 177.512 175.800 0.122 0.000 1.130 104 F CA 0.934 59.006 58.000 0.120 0.000 1.189 104 F CB -0.109 38.995 39.000 0.173 0.000 0.983 104 F HN -0.035 nan 8.300 nan 0.000 0.471 105 F N 1.216 120.993 119.950 -0.288 0.000 2.161 105 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 105 F C 2.877 178.526 175.800 -0.252 0.000 1.089 105 F CA 1.516 59.274 58.000 -0.403 0.000 1.282 105 F CB -1.248 37.593 39.000 -0.264 0.000 1.010 105 F HN 0.094 nan 8.300 nan 0.000 0.485 106 S N -0.744 114.979 115.700 0.038 0.000 2.603 106 S HA -0.011 4.459 4.470 -0.000 0.000 0.220 106 S C 0.413 174.977 174.600 -0.059 0.000 0.967 106 S CA 0.320 58.495 58.200 -0.041 0.000 0.920 106 S CB -1.137 62.032 63.200 -0.053 0.000 0.773 106 S HN 0.555 nan 8.310 nan 0.000 0.529 107 N N 0.798 119.478 118.700 -0.033 0.000 2.758 107 N HA -0.114 4.626 4.740 -0.000 0.000 0.248 107 N C 0.531 176.052 175.510 0.017 0.000 1.076 107 N CA 0.429 53.474 53.050 -0.009 0.000 0.696 107 N CB -1.565 36.897 38.487 -0.041 0.000 0.979 107 N HN 0.887 nan 8.380 nan 0.000 0.550 108 G N -2.431 106.392 108.800 0.039 0.000 2.144 108 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.218 108 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.218 108 G C 0.342 175.248 174.900 0.011 0.000 0.988 108 G CA 0.253 45.377 45.100 0.038 0.000 0.659 108 G HN 1.003 nan 8.290 nan 0.000 0.522 109 A N -0.241 122.565 122.820 -0.023 0.000 2.429 109 A HA 0.586 4.906 4.320 -0.000 0.000 0.242 109 A C 0.620 178.181 177.584 -0.037 0.000 1.088 109 A CA 1.109 53.114 52.037 -0.054 0.000 0.784 109 A CB 0.410 19.355 19.000 -0.092 0.000 1.038 109 A HN 0.739 nan 8.150 nan 0.000 0.501 110 K N 0.895 121.260 120.400 -0.058 0.000 2.323 110 K HA 0.516 4.835 4.320 -0.000 0.000 0.259 110 K C -1.499 175.032 176.600 -0.115 0.000 0.947 110 K CA -0.656 55.595 56.287 -0.061 0.000 0.819 110 K CB 0.705 33.180 32.500 -0.042 0.000 1.109 110 K HN 0.479 nan 8.250 nan 0.000 0.429 111 L N 4.420 125.589 121.223 -0.089 0.000 2.367 111 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 111 L C -0.260 176.532 176.870 -0.131 0.000 1.129 111 L CA 0.430 55.204 54.840 -0.111 0.000 0.839 111 L CB 1.000 43.029 42.059 -0.050 0.000 1.133 111 L HN 0.583 nan 8.230 nan 0.000 0.453 112 M N 2.962 122.433 119.600 -0.214 0.000 2.078 112 M HA 0.312 4.791 4.480 -0.000 0.000 0.320 112 M C -0.012 176.280 176.300 -0.013 0.000 0.969 112 M CA -0.688 54.520 55.300 -0.153 0.000 0.929 112 M CB 1.175 33.569 32.600 -0.342 0.000 1.504 112 M HN 0.644 nan 8.290 nan 0.000 0.419 113 T N 0.477 115.042 114.554 0.018 0.000 2.897 113 T HA 0.628 4.977 4.350 -0.000 0.000 0.294 113 T C 0.058 174.790 174.700 0.053 0.000 1.004 113 T CA -0.659 61.459 62.100 0.029 0.000 1.106 113 T CB 1.165 70.023 68.868 -0.017 0.000 0.949 113 T HN 0.435 nan 8.240 nan 0.000 0.520 114 V N 3.169 123.104 119.914 0.035 0.000 2.398 114 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 114 V C 0.037 176.081 176.094 -0.083 0.000 1.014 114 V CA -0.993 61.326 62.300 0.032 0.000 0.838 114 V CB 1.073 32.962 31.823 0.110 0.000 1.018 114 V HN 0.987 nan 8.190 nan 0.000 0.432 115 D N 2.608 122.925 120.400 -0.139 0.000 2.369 115 D HA 0.606 5.245 4.640 -0.000 0.000 0.241 115 D C 0.416 176.687 176.300 -0.049 0.000 1.271 115 D CA 1.247 55.099 54.000 -0.247 0.000 0.942 115 D CB 1.845 42.563 40.800 -0.137 0.000 1.129 115 D HN 0.836 nan 8.370 nan 0.000 0.476 116 G N 0.233 109.072 108.800 0.065 0.000 2.384 116 G HA2 0.269 4.229 3.960 -0.000 0.000 0.300 116 G HA3 0.269 4.229 3.960 -0.000 0.000 0.300 116 G C -3.041 171.982 174.900 0.205 0.000 1.582 116 G CA -0.929 44.262 45.100 0.151 0.000 0.875 116 G HN 0.353 nan 8.290 nan 0.000 0.628 117 P HA 0.410 nan 4.420 nan 0.000 0.272 117 P C 0.751 178.023 177.300 -0.045 0.000 1.223 117 P CA 1.234 64.349 63.100 0.025 0.000 0.784 117 P CB 1.351 33.044 31.700 -0.012 0.000 0.923 118 A N 2.263 125.022 122.820 -0.102 0.000 2.822 118 A HA -0.020 4.299 4.320 -0.000 0.000 0.287 118 A C 1.125 178.544 177.584 -0.275 0.000 1.479 118 A CA 1.243 53.167 52.037 -0.189 0.000 0.779 118 A CB -2.459 16.433 19.000 -0.181 0.000 1.022 118 A HN 1.358 nan 8.150 nan 0.000 0.532 119 A N -2.396 120.186 122.820 -0.398 0.000 2.826 119 A HA -0.201 4.119 4.320 -0.000 0.000 0.274 119 A C 0.254 177.484 177.584 -0.589 0.000 1.443 119 A CA 2.340 53.857 52.037 -0.867 0.000 0.833 119 A CB -1.875 16.865 19.000 -0.433 0.000 1.023 119 A HN 1.413 nan 8.150 nan 0.000 0.600 120 K N -0.669 119.556 120.400 -0.292 0.000 2.323 120 K HA 0.620 4.940 4.320 -0.000 0.000 0.259 120 K C -0.382 176.369 176.600 0.251 0.000 0.947 120 K CA -1.023 55.166 56.287 -0.163 0.000 0.819 120 K CB 1.279 33.457 32.500 -0.536 0.000 1.109 120 K HN 0.198 nan 8.250 nan 0.000 0.429 121 L N 2.726 124.210 121.223 0.435 0.000 2.540 121 L HA -0.035 4.304 4.340 -0.000 0.000 0.276 121 L C 0.668 177.672 176.870 0.223 0.000 1.212 121 L CA 0.645 55.685 54.840 0.334 0.000 0.893 121 L CB -0.068 42.164 42.059 0.289 0.000 1.138 121 L HN 0.598 nan 8.230 nan 0.000 0.491 122 D N 2.647 123.134 120.400 0.145 0.000 2.343 122 D HA -0.040 4.600 4.640 -0.000 0.000 0.255 122 D C 1.256 177.604 176.300 0.079 0.000 1.187 122 D CA -0.389 53.668 54.000 0.095 0.000 0.875 122 D CB 0.930 41.767 40.800 0.061 0.000 1.136 122 D HN 0.502 nan 8.370 nan 0.000 0.469 123 I N 4.859 125.475 120.570 0.076 0.000 2.248 123 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 123 I C 1.985 178.117 176.117 0.026 0.000 1.107 123 I CA 1.350 62.682 61.300 0.053 0.000 1.373 123 I CB 0.099 38.130 38.000 0.051 0.000 1.055 123 I HN 0.405 nan 8.210 nan 0.000 0.418 124 V N 0.498 120.427 119.914 0.024 0.000 2.307 124 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 124 V C 2.667 178.764 176.094 0.006 0.000 1.045 124 V CA 2.062 64.369 62.300 0.012 0.000 1.024 124 V CB -0.873 30.958 31.823 0.013 0.000 0.651 124 V HN 0.387 nan 8.190 nan 0.000 0.449 125 R N 0.278 120.786 120.500 0.014 0.000 2.081 125 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 125 R C 2.037 178.333 176.300 -0.006 0.000 1.131 125 R CA 1.607 57.714 56.100 0.011 0.000 0.960 125 R CB -0.939 29.374 30.300 0.022 0.000 0.856 125 R HN 0.422 nan 8.270 nan 0.000 0.436 126 L N 0.790 122.009 121.223 -0.006 0.000 2.042 126 L HA -0.135 4.204 4.340 -0.000 0.000 0.210 126 L C 1.983 178.787 176.870 -0.109 0.000 1.076 126 L CA 1.886 56.693 54.840 -0.055 0.000 0.749 126 L CB -0.431 41.616 42.059 -0.020 0.000 0.893 126 L HN 0.128 nan 8.230 nan 0.000 0.432 127 R N -0.444 120.019 120.500 -0.061 0.000 2.105 127 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 127 R C 2.115 178.377 176.300 -0.063 0.000 1.135 127 R CA 1.851 57.915 56.100 -0.060 0.000 0.967 127 R CB -0.350 29.934 30.300 -0.028 0.000 0.861 127 R HN 0.584 nan 8.270 nan 0.000 0.442 128 E N 0.007 120.181 120.200 -0.044 0.000 2.051 128 E HA -0.090 4.259 4.350 -0.000 0.000 0.189 128 E C 2.119 178.696 176.600 -0.038 0.000 0.979 128 E CA 0.584 56.967 56.400 -0.028 0.000 0.803 128 E CB -0.001 29.695 29.700 -0.007 0.000 0.761 128 E HN 0.247 nan 8.360 nan 0.000 0.451 129 R N 0.650 121.116 120.500 -0.057 0.000 2.096 129 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 129 R C 2.529 178.732 176.300 -0.162 0.000 1.127 129 R CA 1.755 57.832 56.100 -0.038 0.000 0.968 129 R CB -0.670 29.649 30.300 0.032 0.000 0.861 129 R HN 0.296 nan 8.270 nan 0.000 0.440 130 T N -0.384 113.943 114.554 -0.379 0.000 3.163 130 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 130 T C 1.297 175.922 174.700 -0.124 0.000 1.156 130 T CA 0.506 62.349 62.100 -0.428 0.000 1.072 130 T CB -0.187 68.417 68.868 -0.439 0.000 0.937 130 T HN 0.396 nan 8.240 nan 0.000 0.528 131 R N 0.611 121.074 120.500 -0.062 0.000 2.700 131 R HA 0.423 4.763 4.340 -0.000 0.000 0.377 131 R C -0.709 175.605 176.300 0.023 0.000 1.130 131 R CA -0.531 55.564 56.100 -0.008 0.000 1.055 131 R CB 0.099 30.392 30.300 -0.013 0.000 1.387 131 R HN 0.347 nan 8.270 nan 0.000 0.580 132 E N 2.293 122.523 120.200 0.050 0.000 2.200 132 E HA 0.170 4.520 4.350 -0.000 0.000 0.283 132 E C -0.330 176.317 176.600 0.079 0.000 1.015 132 E CA -0.844 55.597 56.400 0.067 0.000 0.819 132 E CB 1.056 30.810 29.700 0.091 0.000 1.081 132 E HN 0.047 nan 8.360 nan 0.000 0.397 133 K N 0.125 120.563 120.400 0.064 0.000 3.012 133 K HA -0.178 4.142 4.320 -0.000 0.000 0.259 133 K C -0.449 176.191 176.600 0.068 0.000 0.989 133 K CA 0.292 56.618 56.287 0.066 0.000 0.728 133 K CB -2.075 30.471 32.500 0.077 0.000 1.260 133 K HN 0.340 nan 8.250 nan 0.000 0.480 134 V N 0.484 120.435 119.914 0.061 0.000 2.540 134 V HA 0.182 4.302 4.120 -0.000 0.000 0.297 134 V C 1.841 177.964 176.094 0.048 0.000 1.024 134 V CA 1.505 63.842 62.300 0.062 0.000 1.105 134 V CB 0.777 32.631 31.823 0.052 0.000 0.938 134 V HN 0.788 nan 8.190 nan 0.000 0.482 135 G N 4.168 112.997 108.800 0.048 0.000 2.199 135 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 135 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 135 G C 0.044 174.946 174.900 0.003 0.000 0.982 135 G CA 0.236 45.350 45.100 0.024 0.000 0.632 135 G HN 0.850 nan 8.290 nan 0.000 0.529 136 D N 0.049 120.460 120.400 0.019 0.000 2.343 136 D HA 0.444 5.083 4.640 -0.000 0.000 0.255 136 D C 1.443 177.714 176.300 -0.048 0.000 1.187 136 D CA 0.380 54.387 54.000 0.011 0.000 0.875 136 D CB 1.366 42.205 40.800 0.064 0.000 1.136 136 D HN 0.169 nan 8.370 nan 0.000 0.469 137 V N 5.303 125.116 119.914 -0.169 0.000 2.720 137 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 137 V C 1.252 177.159 176.094 -0.312 0.000 1.082 137 V CA 1.601 63.729 62.300 -0.287 0.000 1.101 137 V CB -0.602 30.985 31.823 -0.393 0.000 0.693 137 V HN 0.703 nan 8.190 nan 0.000 0.479 138 H N -0.608 118.457 119.070 -0.009 0.000 2.539 138 H HA 0.199 4.755 4.556 -0.000 0.000 0.267 138 H C 0.518 175.857 175.328 0.018 0.000 0.982 138 H CA 0.680 56.729 56.048 0.001 0.000 1.146 138 H CB -0.038 29.725 29.762 0.003 0.000 1.382 138 H HN 0.437 nan 8.280 nan 0.000 0.577 139 T N 1.447 116.062 114.554 0.101 0.000 2.863 139 T HA 0.239 4.589 4.350 -0.000 0.000 0.285 139 T C 0.390 175.151 174.700 0.102 0.000 1.009 139 T CA -0.876 61.283 62.100 0.099 0.000 0.989 139 T CB 2.378 71.305 68.868 0.098 0.000 1.004 139 T HN 0.188 nan 8.240 nan 0.000 0.455 140 T N 1.999 116.619 114.554 0.109 0.000 2.932 140 T HA 0.224 4.574 4.350 -0.000 0.000 0.312 140 T C -0.200 174.586 174.700 0.143 0.000 1.071 140 T CA -0.766 61.417 62.100 0.138 0.000 1.128 140 T CB 0.400 69.323 68.868 0.092 0.000 0.984 140 T HN 0.391 nan 8.240 nan 0.000 0.549 141 Q N 1.614 121.526 119.800 0.186 0.000 2.266 141 Q HA 0.383 4.723 4.340 -0.000 0.000 0.261 141 Q C -2.651 173.451 176.000 0.171 0.000 0.985 141 Q CA -2.540 53.372 55.803 0.182 0.000 0.873 141 Q CB 1.424 30.299 28.738 0.228 0.000 1.306 141 Q HN 0.486 nan 8.270 nan 0.000 0.447 142 P HA -0.004 nan 4.420 nan 0.000 0.264 142 P C -0.560 176.872 177.300 0.221 0.000 1.193 142 P CA 0.522 63.841 63.100 0.366 0.000 0.763 142 P CB 0.773 32.639 31.700 0.277 0.000 0.810 143 A N 2.725 125.666 122.820 0.202 0.000 1.917 143 A HA 0.333 4.653 4.320 -0.000 0.000 0.200 143 A C 0.467 178.110 177.584 0.098 0.000 1.671 143 A CA 0.894 52.984 52.037 0.089 0.000 1.034 143 A CB -0.132 18.859 19.000 -0.014 0.000 1.057 143 A HN 0.647 nan 8.150 nan 0.000 0.507 144 C N -2.405 116.979 119.300 0.140 0.000 3.321 144 C HA 0.807 5.266 4.460 -0.000 0.000 0.329 144 C C -1.112 174.011 174.990 0.221 0.000 1.394 144 C CA -0.862 58.238 59.018 0.136 0.000 1.291 144 C CB 0.984 28.762 27.740 0.064 0.000 1.606 144 C HN 0.389 nan 8.230 nan 0.000 0.463 145 V N 1.356 121.380 119.914 0.184 0.000 2.735 145 V HA 0.813 4.933 4.120 -0.000 0.000 0.310 145 V C -0.128 176.068 176.094 0.170 0.000 1.061 145 V CA -0.081 62.340 62.300 0.202 0.000 0.913 145 V CB 1.847 33.758 31.823 0.146 0.000 1.005 145 V HN 1.140 nan 8.190 nan 0.000 0.428 146 S N 4.617 120.425 115.700 0.180 0.000 2.561 146 S HA 0.794 5.264 4.470 -0.000 0.000 0.303 146 S C -0.861 173.822 174.600 0.138 0.000 1.110 146 S CA -0.599 57.727 58.200 0.210 0.000 1.034 146 S CB 0.870 64.244 63.200 0.290 0.000 1.010 146 S HN 0.727 nan 8.310 nan 0.000 0.482 147 I N 1.679 122.270 120.570 0.036 0.000 2.545 147 I HA 0.619 4.789 4.170 -0.000 0.000 0.292 147 I C -0.581 175.543 176.117 0.011 0.000 1.040 147 I CA -0.644 60.629 61.300 -0.044 0.000 1.068 147 I CB 2.243 39.988 38.000 -0.425 0.000 1.251 147 I HN 0.340 nan 8.210 nan 0.000 0.424 148 T N 4.456 119.111 114.554 0.169 0.000 2.744 148 T HA 0.374 4.723 4.350 -0.000 0.000 0.291 148 T C -0.396 174.463 174.700 0.265 0.000 0.957 148 T CA -0.175 62.038 62.100 0.189 0.000 1.002 148 T CB 1.030 70.020 68.868 0.203 0.000 0.919 148 T HN 0.669 nan 8.240 nan 0.000 0.468 149 Q N 2.167 122.084 119.800 0.195 0.000 2.353 149 Q HA 0.681 5.021 4.340 -0.000 0.000 0.268 149 Q C -0.434 175.687 176.000 0.202 0.000 1.045 149 Q CA -0.610 55.330 55.803 0.227 0.000 0.811 149 Q CB 1.466 30.329 28.738 0.208 0.000 1.305 149 Q HN 0.826 nan 8.270 nan 0.000 0.447 150 A N 2.267 125.170 122.820 0.139 0.000 2.583 150 A HA 0.260 4.579 4.320 -0.000 0.000 0.231 150 A C 0.439 178.103 177.584 0.134 0.000 1.065 150 A CA 0.594 52.703 52.037 0.121 0.000 0.760 150 A CB -0.429 18.616 19.000 0.075 0.000 1.001 150 A HN 0.887 nan 8.150 nan 0.000 0.509 151 T N -0.293 114.324 114.554 0.105 0.000 2.701 151 T HA 0.210 4.560 4.350 -0.000 0.000 0.303 151 T C 0.699 175.458 174.700 0.097 0.000 1.030 151 T CA 0.670 62.826 62.100 0.094 0.000 1.010 151 T CB 0.234 69.091 68.868 -0.018 0.000 1.007 151 T HN 0.585 nan 8.240 nan 0.000 0.532 152 E N -0.113 120.149 120.200 0.103 0.000 2.333 152 E HA -0.012 4.338 4.350 -0.000 0.000 0.198 152 E C 1.606 178.317 176.600 0.184 0.000 1.007 152 E CA 1.055 57.545 56.400 0.150 0.000 0.845 152 E CB -0.378 29.422 29.700 0.167 0.000 0.766 152 E HN 0.623 nan 8.360 nan 0.000 0.507 153 V N -4.363 115.626 119.914 0.125 0.000 3.376 153 V HA 0.518 4.637 4.120 -0.000 0.000 0.313 153 V C 1.247 177.472 176.094 0.218 0.000 1.393 153 V CA 0.248 62.667 62.300 0.198 0.000 1.125 153 V CB -0.052 31.700 31.823 -0.119 0.000 1.037 153 V HN 0.203 nan 8.190 nan 0.000 0.440 154 G N 1.225 110.105 108.800 0.133 0.000 2.159 154 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.256 154 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.256 154 G C 0.329 175.252 174.900 0.037 0.000 0.977 154 G CA 0.619 45.778 45.100 0.099 0.000 0.652 154 G HN 1.366 nan 8.290 nan 0.000 0.531 155 S N -0.721 114.969 115.700 -0.015 0.000 2.655 155 S HA 0.819 5.288 4.470 -0.000 0.000 0.265 155 S C 0.089 174.650 174.600 -0.066 0.000 1.240 155 S CA -0.540 57.617 58.200 -0.071 0.000 0.986 155 S CB 2.079 65.191 63.200 -0.148 0.000 0.985 155 S HN 0.678 nan 8.310 nan 0.000 0.562 156 I N 0.880 121.398 120.570 -0.087 0.000 2.619 156 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 156 I C -1.331 174.755 176.117 -0.053 0.000 1.100 156 I CA -0.805 60.475 61.300 -0.033 0.000 1.043 156 I CB 1.803 39.799 38.000 -0.007 0.000 1.239 156 I HN 0.661 nan 8.210 nan 0.000 0.420 157 Y N 3.489 123.788 120.300 -0.003 0.000 2.359 157 Y HA 0.196 4.746 4.550 -0.000 0.000 0.330 157 Y C 1.322 177.217 175.900 -0.009 0.000 1.143 157 Y CA -0.087 58.014 58.100 0.002 0.000 1.318 157 Y CB 1.072 39.543 38.460 0.017 0.000 1.234 157 Y HN 0.525 nan 8.280 nan 0.000 0.522 158 T N -0.011 114.622 114.554 0.132 0.000 2.788 158 T HA 0.206 4.555 4.350 -0.000 0.000 0.287 158 T C 1.249 175.987 174.700 0.064 0.000 1.007 158 T CA -0.724 61.415 62.100 0.063 0.000 1.005 158 T CB 0.634 69.521 68.868 0.031 0.000 1.012 158 T HN 0.689 nan 8.240 nan 0.000 0.530 159 L N 0.200 121.435 121.223 0.020 0.000 2.079 159 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 159 L C 2.390 179.265 176.870 0.007 0.000 1.081 159 L CA 1.431 56.271 54.840 0.000 0.000 0.752 159 L CB -0.659 41.384 42.059 -0.028 0.000 0.896 159 L HN 0.680 nan 8.230 nan 0.000 0.433 160 D N 0.035 120.444 120.400 0.014 0.000 2.117 160 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 160 D C 2.129 178.451 176.300 0.037 0.000 0.982 160 D CA 1.069 55.079 54.000 0.017 0.000 0.828 160 D CB -0.025 40.783 40.800 0.014 0.000 0.967 160 D HN 0.388 nan 8.370 nan 0.000 0.464 161 E N 0.127 120.370 120.200 0.072 0.000 2.106 161 E HA -0.087 4.262 4.350 -0.000 0.000 0.192 161 E C 2.296 178.953 176.600 0.096 0.000 0.984 161 E CA 0.425 56.897 56.400 0.121 0.000 0.806 161 E CB 0.046 29.877 29.700 0.218 0.000 0.750 161 E HN 0.297 nan 8.360 nan 0.000 0.458 162 I N 1.133 121.737 120.570 0.057 0.000 2.163 162 I HA -0.237 3.932 4.170 -0.000 0.000 0.240 162 I C 2.706 178.809 176.117 -0.023 0.000 1.081 162 I CA 0.989 62.269 61.300 -0.033 0.000 1.353 162 I CB -0.257 37.723 38.000 -0.033 0.000 1.054 162 I HN 0.090 nan 8.210 nan 0.000 0.407 163 E N 1.578 121.772 120.200 -0.009 0.000 2.118 163 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 163 E C 2.193 178.793 176.600 0.001 0.000 0.992 163 E CA 1.630 58.024 56.400 -0.010 0.000 0.804 163 E CB 0.017 29.708 29.700 -0.014 0.000 0.741 163 E HN 0.475 nan 8.360 nan 0.000 0.458 164 A N 1.033 123.860 122.820 0.011 0.000 1.933 164 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 164 A C 2.321 179.912 177.584 0.012 0.000 1.175 164 A CA 1.254 53.300 52.037 0.016 0.000 0.628 164 A CB -0.568 18.450 19.000 0.030 0.000 0.814 164 A HN 0.303 nan 8.150 nan 0.000 0.444 165 I N -0.389 120.186 120.570 0.008 0.000 2.394 165 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 165 I C 2.616 178.732 176.117 -0.003 0.000 1.136 165 I CA 0.935 62.233 61.300 -0.002 0.000 1.425 165 I CB -0.524 37.458 38.000 -0.029 0.000 1.079 165 I HN 0.397 nan 8.210 nan 0.000 0.425 166 G N 0.506 109.304 108.800 -0.002 0.000 2.432 166 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 166 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 166 G C 1.234 176.141 174.900 0.013 0.000 1.135 166 G CA 0.728 45.834 45.100 0.009 0.000 0.767 166 G HN 0.279 nan 8.290 nan 0.000 0.550 167 D N 0.446 120.852 120.400 0.009 0.000 2.097 167 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 167 D C 2.828 179.131 176.300 0.006 0.000 0.989 167 D CA 0.961 54.967 54.000 0.009 0.000 0.827 167 D CB -0.553 40.251 40.800 0.007 0.000 0.966 167 D HN 0.205 nan 8.370 nan 0.000 0.456 168 V N 0.910 120.823 119.914 -0.001 0.000 2.287 168 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 168 V C 2.781 178.869 176.094 -0.011 0.000 1.053 168 V CA 1.376 63.668 62.300 -0.014 0.000 1.027 168 V CB -0.747 31.059 31.823 -0.028 0.000 0.646 168 V HN 0.272 nan 8.190 nan 0.000 0.447 169 C N -0.144 119.156 119.300 0.001 0.000 2.413 169 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 169 C C 2.815 177.819 174.990 0.023 0.000 1.228 169 C CA 1.154 60.182 59.018 0.016 0.000 1.731 169 C CB -0.977 26.782 27.740 0.032 0.000 2.042 169 C HN 0.532 nan 8.230 nan 0.000 0.468 170 K N 0.584 120.999 120.400 0.025 0.000 2.097 170 K HA -0.161 4.158 4.320 -0.000 0.000 0.206 170 K C 2.330 178.943 176.600 0.022 0.000 1.049 170 K CA 1.552 57.856 56.287 0.028 0.000 0.933 170 K CB -0.394 32.124 32.500 0.030 0.000 0.717 170 K HN 0.459 nan 8.250 nan 0.000 0.442 171 S N 0.551 116.259 115.700 0.014 0.000 2.370 171 S HA -0.112 4.358 4.470 -0.000 0.000 0.226 171 S C 1.575 176.181 174.600 0.011 0.000 1.033 171 S CA 1.659 59.865 58.200 0.010 0.000 1.011 171 S CB -0.023 63.179 63.200 0.003 0.000 0.852 171 S HN 0.172 nan 8.310 nan 0.000 0.457 172 S N 0.700 116.405 115.700 0.009 0.000 2.582 172 S HA 0.344 4.814 4.470 -0.000 0.000 0.234 172 S C 0.281 174.898 174.600 0.029 0.000 0.961 172 S CA 0.250 58.459 58.200 0.014 0.000 0.953 172 S CB 0.413 63.612 63.200 -0.002 0.000 0.800 172 S HN 0.504 nan 8.310 nan 0.000 0.471 173 S N 1.275 116.994 115.700 0.031 0.000 3.682 173 S HA -0.137 4.332 4.470 -0.000 0.000 0.354 173 S C -0.120 174.507 174.600 0.045 0.000 1.034 173 S CA 0.339 58.562 58.200 0.038 0.000 1.084 173 S CB -1.728 61.496 63.200 0.040 0.000 0.903 173 S HN 0.534 nan 8.310 nan 0.000 0.470 174 L N 0.548 121.799 121.223 0.046 0.000 2.331 174 L HA 0.738 5.078 4.340 -0.000 0.000 0.275 174 L C 1.061 177.968 176.870 0.061 0.000 1.022 174 L CA -0.733 54.144 54.840 0.061 0.000 0.812 174 L CB 1.275 43.375 42.059 0.069 0.000 1.257 174 L HN 0.324 nan 8.230 nan 0.000 0.435 175 G N 1.553 110.392 108.800 0.066 0.000 2.476 175 G HA2 0.474 4.434 3.960 -0.000 0.000 0.269 175 G HA3 0.474 4.434 3.960 -0.000 0.000 0.269 175 G C -1.180 173.775 174.900 0.092 0.000 1.195 175 G CA -0.324 44.818 45.100 0.070 0.000 0.843 175 G HN 0.377 nan 8.290 nan 0.000 0.545 176 L N 2.024 123.309 121.223 0.102 0.000 2.316 176 L HA 0.425 4.765 4.340 -0.000 0.000 0.280 176 L C -0.285 176.673 176.870 0.148 0.000 1.006 176 L CA -0.954 53.950 54.840 0.107 0.000 0.836 176 L CB 1.126 43.228 42.059 0.072 0.000 1.221 176 L HN 0.700 nan 8.230 nan 0.000 0.418 177 H N 5.921 125.025 119.070 0.057 0.000 2.472 177 H HA 0.452 5.008 4.556 -0.000 0.000 0.338 177 H C -1.487 173.881 175.328 0.067 0.000 1.133 177 H CA -0.899 55.185 56.048 0.059 0.000 1.216 177 H CB 1.776 31.553 29.762 0.026 0.000 1.497 177 H HN 0.778 nan 8.280 nan 0.000 0.500 178 M N 4.743 123.910 119.600 -0.722 0.000 2.125 178 M HA 0.136 4.615 4.480 -0.000 0.000 0.321 178 M C -1.163 174.746 176.300 -0.651 0.000 0.983 178 M CA -0.805 54.206 55.300 -0.481 0.000 0.934 178 M CB 0.913 33.478 32.600 -0.058 0.000 1.542 178 M HN 0.532 nan 8.290 nan 0.000 0.424 179 D N 4.005 124.210 120.400 -0.324 0.000 2.435 179 D HA 0.240 4.880 4.640 -0.000 0.000 0.230 179 D C 0.378 176.722 176.300 0.073 0.000 1.215 179 D CA 0.081 54.072 54.000 -0.015 0.000 0.947 179 D CB 0.693 41.583 40.800 0.150 0.000 1.048 179 D HN 0.843 nan 8.370 nan 0.000 0.512 180 G N 2.400 111.262 108.800 0.102 0.000 3.882 180 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.283 180 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.283 180 G C 1.219 176.216 174.900 0.162 0.000 1.283 180 G CA -0.170 45.071 45.100 0.234 0.000 1.402 180 G HN 0.438 nan 8.290 nan 0.000 0.618 181 S N 0.837 116.595 115.700 0.096 0.000 2.383 181 S HA -0.099 4.370 4.470 -0.000 0.000 0.229 181 S C 1.865 176.514 174.600 0.083 0.000 1.030 181 S CA 0.917 59.144 58.200 0.044 0.000 1.002 181 S CB -0.064 63.133 63.200 -0.005 0.000 0.829 181 S HN 0.489 nan 8.310 nan 0.000 0.467 182 R N -0.444 120.135 120.500 0.130 0.000 2.865 182 R HA 0.246 4.585 4.340 -0.000 0.000 0.370 182 R C 0.485 176.894 176.300 0.182 0.000 1.168 182 R CA -0.277 55.907 56.100 0.140 0.000 1.058 182 R CB -0.171 30.199 30.300 0.116 0.000 1.419 182 R HN 0.372 nan 8.270 nan 0.000 0.580 183 F N 1.995 121.982 119.950 0.062 0.000 2.043 183 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 183 F C 2.275 178.150 175.800 0.124 0.000 1.121 183 F CA 2.259 60.326 58.000 0.112 0.000 1.199 183 F CB -0.102 38.968 39.000 0.117 0.000 0.968 183 F HN 0.220 nan 8.300 nan 0.000 0.478 184 A N 0.418 123.362 122.820 0.206 0.000 1.940 184 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 184 A C 2.101 179.638 177.584 -0.077 0.000 1.176 184 A CA 1.991 54.057 52.037 0.049 0.000 0.631 184 A CB -1.033 18.085 19.000 0.196 0.000 0.814 184 A HN 0.614 nan 8.150 nan 0.000 0.446 185 N N 0.225 118.923 118.700 -0.004 0.000 2.223 185 N HA -0.109 4.630 4.740 -0.000 0.000 0.185 185 N C 1.861 177.337 175.510 -0.057 0.000 1.016 185 N CA 1.429 54.471 53.050 -0.015 0.000 0.863 185 N CB -0.324 38.187 38.487 0.039 0.000 0.983 185 N HN 0.522 nan 8.380 nan 0.000 0.429 186 A N 1.037 123.809 122.820 -0.080 0.000 1.930 186 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 186 A C 2.239 179.721 177.584 -0.169 0.000 1.176 186 A CA 0.405 52.386 52.037 -0.093 0.000 0.632 186 A CB -0.464 18.500 19.000 -0.061 0.000 0.819 186 A HN 0.163 nan 8.150 nan 0.000 0.445 187 L N 0.709 121.760 121.223 -0.287 0.000 2.017 187 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 187 L C 2.489 179.220 176.870 -0.233 0.000 1.073 187 L CA 2.553 57.196 54.840 -0.328 0.000 0.745 187 L CB -0.432 41.347 42.059 -0.466 0.000 0.894 187 L HN 0.366 nan 8.230 nan 0.000 0.432 188 V N -4.052 115.731 119.914 -0.218 0.000 2.970 188 V HA -0.092 4.028 4.120 -0.000 0.000 0.260 188 V C 2.362 178.382 176.094 -0.124 0.000 1.100 188 V CA 1.563 63.754 62.300 -0.181 0.000 1.122 188 V CB -0.840 30.875 31.823 -0.179 0.000 0.721 188 V HN 0.503 nan 8.190 nan 0.000 0.483 189 S N 0.050 115.687 115.700 -0.105 0.000 2.395 189 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 189 S C 1.783 176.339 174.600 -0.073 0.000 1.027 189 S CA 1.291 59.447 58.200 -0.074 0.000 0.965 189 S CB -0.335 62.832 63.200 -0.055 0.000 0.812 189 S HN 0.648 nan 8.310 nan 0.000 0.482 190 L N 0.478 121.650 121.223 -0.086 0.000 2.270 190 L HA 0.226 4.566 4.340 -0.000 0.000 0.210 190 L C 1.834 178.654 176.870 -0.083 0.000 1.104 190 L CA 0.607 55.401 54.840 -0.076 0.000 0.804 190 L CB -0.589 41.423 42.059 -0.079 0.000 0.937 190 L HN 0.553 nan 8.230 nan 0.000 0.450 191 G N 0.254 108.992 108.800 -0.104 0.000 2.179 191 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.257 191 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.257 191 G C 0.366 175.207 174.900 -0.099 0.000 1.010 191 G CA 0.291 45.329 45.100 -0.103 0.000 0.736 191 G HN 0.488 nan 8.290 nan 0.000 0.513 192 C N -0.504 118.732 119.300 -0.107 0.000 2.464 192 C HA 0.968 5.427 4.460 -0.000 0.000 0.398 192 C C 1.297 176.225 174.990 -0.104 0.000 1.451 192 C CA -0.112 58.847 59.018 -0.097 0.000 1.986 192 C CB 1.210 28.895 27.740 -0.092 0.000 2.004 192 C HN 1.479 nan 8.230 nan 0.000 0.530 193 S N -0.009 115.637 115.700 -0.089 0.000 2.646 193 S HA 0.489 4.959 4.470 -0.000 0.000 0.276 193 S C -2.026 172.544 174.600 -0.051 0.000 1.222 193 S CA -0.708 57.449 58.200 -0.071 0.000 1.014 193 S CB 0.910 64.072 63.200 -0.064 0.000 0.991 193 S HN 0.652 nan 8.310 nan 0.000 0.533 194 P HA -0.060 nan 4.420 nan 0.000 0.216 194 P C 1.546 178.929 177.300 0.138 0.000 1.150 194 P CA 1.962 65.104 63.100 0.071 0.000 0.837 194 P CB -0.179 31.307 31.700 -0.356 0.000 0.786 195 A N -0.079 122.741 122.820 0.001 0.000 1.902 195 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 195 A C 2.101 179.387 177.584 -0.496 0.000 1.181 195 A CA 1.617 53.501 52.037 -0.254 0.000 0.623 195 A CB -1.157 17.689 19.000 -0.256 0.000 0.818 195 A HN 0.192 nan 8.150 nan 0.000 0.443 196 E N -1.150 118.877 120.200 -0.289 0.000 2.150 196 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 196 E C 1.814 178.315 176.600 -0.165 0.000 0.985 196 E CA 1.178 57.426 56.400 -0.253 0.000 0.814 196 E CB -0.166 29.436 29.700 -0.164 0.000 0.752 196 E HN 0.680 nan 8.360 nan 0.000 0.466 197 M N 0.568 120.126 119.600 -0.070 0.000 2.561 197 M HA -0.026 4.454 4.480 -0.000 0.000 0.238 197 M C 1.055 177.412 176.300 0.096 0.000 1.131 197 M CA 0.660 55.966 55.300 0.010 0.000 1.046 197 M CB 0.177 32.779 32.600 0.004 0.000 1.532 197 M HN 0.161 nan 8.290 nan 0.000 0.497 198 T N -2.941 111.621 114.554 0.014 0.000 2.614 198 T HA 0.044 4.394 4.350 -0.000 0.000 0.163 198 T C 1.277 175.803 174.700 -0.289 0.000 0.806 198 T CA -0.044 62.029 62.100 -0.044 0.000 1.020 198 T CB -0.944 67.985 68.868 0.102 0.000 2.539 198 T HN 0.564 nan 8.240 nan 0.000 0.380 199 W N 2.216 123.106 121.300 -0.682 0.000 2.350 199 W HA 0.098 4.758 4.660 -0.000 0.000 0.289 199 W C 1.348 177.750 176.519 -0.196 0.000 1.215 199 W CA 0.952 57.981 57.345 -0.527 0.000 1.236 199 W CB -0.845 28.241 29.460 -0.624 0.000 1.130 199 W HN 0.378 nan 8.180 nan 0.000 0.541 200 K N 0.890 120.879 120.400 -0.685 0.000 2.442 200 K HA 0.038 4.357 4.320 -0.000 0.000 0.198 200 K C 2.133 178.606 176.600 -0.211 0.000 1.042 200 K CA 1.140 57.115 56.287 -0.519 0.000 0.958 200 K CB -0.127 31.924 32.500 -0.748 0.000 0.766 200 K HN 0.169 nan 8.250 nan 0.000 0.474 201 A N -0.165 122.554 122.820 -0.168 0.000 2.348 201 A HA 0.322 4.642 4.320 -0.000 0.000 0.224 201 A C 1.203 178.769 177.584 -0.031 0.000 1.227 201 A CA 0.537 52.525 52.037 -0.083 0.000 0.885 201 A CB 0.294 19.249 19.000 -0.075 0.000 0.933 201 A HN 0.321 nan 8.150 nan 0.000 0.506 202 G N -1.378 107.419 108.800 -0.004 0.000 2.184 202 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.206 202 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.206 202 G C 0.155 175.089 174.900 0.057 0.000 0.995 202 G CA -0.067 45.056 45.100 0.038 0.000 0.651 202 G HN 0.703 nan 8.290 nan 0.000 0.511 203 V N 1.660 121.595 119.914 0.036 0.000 2.585 203 V HA 0.247 4.367 4.120 -0.000 0.000 0.296 203 V C 1.106 177.346 176.094 0.244 0.000 1.035 203 V CA 0.813 63.177 62.300 0.107 0.000 1.084 203 V CB 1.350 33.237 31.823 0.107 0.000 0.953 203 V HN 0.299 nan 8.190 nan 0.000 0.483 204 D N 2.589 123.156 120.400 0.278 0.000 2.323 204 D HA 0.281 4.921 4.640 -0.000 0.000 0.218 204 D C 0.565 177.052 176.300 0.311 0.000 0.973 204 D CA 0.964 55.142 54.000 0.297 0.000 0.890 204 D CB 0.884 41.780 40.800 0.160 0.000 1.011 204 D HN 0.648 nan 8.370 nan 0.000 0.499 205 A N 0.686 123.660 122.820 0.257 0.000 2.455 205 A HA 0.588 4.908 4.320 -0.000 0.000 0.300 205 A C -1.679 175.981 177.584 0.127 0.000 1.040 205 A CA -0.573 51.524 52.037 0.100 0.000 0.697 205 A CB 1.772 20.829 19.000 0.094 0.000 1.265 205 A HN 0.083 nan 8.150 nan 0.000 0.407 206 L N 1.473 122.673 121.223 -0.039 0.000 2.386 206 L HA 0.750 5.089 4.340 -0.000 0.000 0.271 206 L C -0.499 176.351 176.870 -0.033 0.000 0.993 206 L CA 0.056 54.882 54.840 -0.024 0.000 0.819 206 L CB 2.409 44.498 42.059 0.050 0.000 1.294 206 L HN 0.442 nan 8.230 nan 0.000 0.414 207 S N 5.128 120.847 115.700 0.032 0.000 2.473 207 S HA 0.324 4.794 4.470 -0.000 0.000 0.312 207 S C -0.504 174.134 174.600 0.062 0.000 1.087 207 S CA -0.201 58.041 58.200 0.070 0.000 1.077 207 S CB -0.509 62.776 63.200 0.140 0.000 1.065 207 S HN 0.465 nan 8.310 nan 0.000 0.510 208 F N 3.991 123.866 119.950 -0.124 0.000 2.468 208 F HA 0.425 4.952 4.527 -0.000 0.000 0.356 208 F C 0.967 176.780 175.800 0.020 0.000 1.167 208 F CA -0.730 57.215 58.000 -0.092 0.000 1.135 208 F CB -0.103 38.858 39.000 -0.065 0.000 1.197 208 F HN 0.506 nan 8.300 nan 0.000 0.569 209 G N 3.794 112.490 108.800 -0.174 0.000 2.370 209 G HA2 0.470 4.430 3.960 -0.000 0.000 0.272 209 G HA3 0.470 4.430 3.960 -0.000 0.000 0.272 209 G C 0.063 174.801 174.900 -0.269 0.000 1.208 209 G CA 0.042 45.059 45.100 -0.138 0.000 0.856 209 G HN 0.957 nan 8.290 nan 0.000 0.500 210 A N 1.829 124.479 122.820 -0.284 0.000 2.027 210 A HA 0.227 4.547 4.320 -0.000 0.000 0.196 210 A C 2.155 179.535 177.584 -0.339 0.000 1.573 210 A CA 1.276 52.958 52.037 -0.593 0.000 1.097 210 A CB -0.255 18.125 19.000 -1.033 0.000 1.196 210 A HN 0.515 nan 8.150 nan 0.000 0.462 211 T N 1.029 115.472 114.554 -0.185 0.000 2.635 211 T HA -0.193 4.156 4.350 -0.000 0.000 0.267 211 T C 1.825 176.516 174.700 -0.014 0.000 1.040 211 T CA 2.063 64.112 62.100 -0.085 0.000 1.156 211 T CB -0.276 68.572 68.868 -0.034 0.000 0.863 211 T HN 0.459 nan 8.240 nan 0.000 0.430 212 K N 0.745 121.158 120.400 0.023 0.000 2.362 212 K HA 0.011 4.330 4.320 -0.000 0.000 0.200 212 K C 1.403 178.098 176.600 0.159 0.000 1.046 212 K CA 0.656 57.002 56.287 0.099 0.000 0.952 212 K CB -0.016 32.541 32.500 0.094 0.000 0.753 212 K HN 0.113 nan 8.250 nan 0.000 0.466 213 N N -0.741 118.026 118.700 0.111 0.000 2.321 213 N HA 0.063 4.803 4.740 -0.000 0.000 0.242 213 N C 0.115 175.593 175.510 -0.052 0.000 1.141 213 N CA 0.401 53.556 53.050 0.174 0.000 0.864 213 N CB 1.059 39.726 38.487 0.300 0.000 1.100 213 N HN 0.194 nan 8.380 nan 0.000 0.510 214 G N -1.304 107.277 108.800 -0.367 0.000 2.551 214 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.186 214 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.186 214 G C 0.038 174.734 174.900 -0.340 0.000 1.002 214 G CA 0.027 44.642 45.100 -0.808 0.000 0.723 214 G HN 0.424 nan 8.290 nan 0.000 0.481 215 V N -0.669 119.136 119.914 -0.182 0.000 3.336 215 V HA 0.765 4.885 4.120 -0.000 0.000 0.314 215 V C 1.703 177.770 176.094 -0.046 0.000 1.088 215 V CA -0.761 61.477 62.300 -0.104 0.000 1.033 215 V CB 1.026 32.761 31.823 -0.147 0.000 1.181 215 V HN -0.028 nan 8.190 nan 0.000 0.449 216 L N 0.636 121.853 121.223 -0.010 0.000 2.084 216 L HA 0.452 4.792 4.340 -0.000 0.000 0.202 216 L C 1.165 178.045 176.870 0.017 0.000 1.074 216 L CA 2.115 56.966 54.840 0.018 0.000 0.757 216 L CB -1.052 41.023 42.059 0.026 0.000 0.918 216 L HN 1.056 nan 8.230 nan 0.000 0.444 217 A N -0.635 122.191 122.820 0.010 0.000 2.480 217 A HA 0.667 4.987 4.320 -0.000 0.000 0.302 217 A C -0.910 176.684 177.584 0.017 0.000 1.151 217 A CA 0.220 52.268 52.037 0.018 0.000 0.907 217 A CB 0.144 19.167 19.000 0.039 0.000 1.487 217 A HN 0.252 nan 8.150 nan 0.000 0.396 218 A N 2.085 124.898 122.820 -0.012 0.000 2.511 218 A HA 0.684 5.003 4.320 -0.000 0.000 0.292 218 A C -1.015 176.550 177.584 -0.031 0.000 1.045 218 A CA -0.389 51.645 52.037 -0.006 0.000 0.870 218 A CB 0.938 19.936 19.000 -0.002 0.000 1.361 218 A HN 0.470 nan 8.150 nan 0.000 0.396 219 E N 0.468 120.665 120.200 -0.004 0.000 2.299 219 E HA 0.815 5.165 4.350 -0.000 0.000 0.260 219 E C -0.388 176.234 176.600 0.036 0.000 0.944 219 E CA -0.700 55.704 56.400 0.007 0.000 0.815 219 E CB 2.457 32.147 29.700 -0.016 0.000 1.252 219 E HN 1.118 nan 8.360 nan 0.000 0.418 220 A N 1.680 124.548 122.820 0.080 0.000 2.359 220 A HA 0.563 4.882 4.320 -0.000 0.000 0.303 220 A C -0.545 176.966 177.584 -0.122 0.000 1.066 220 A CA -0.647 51.356 52.037 -0.057 0.000 0.730 220 A CB 0.474 19.370 19.000 -0.174 0.000 1.211 220 A HN 0.521 nan 8.150 nan 0.000 0.439 221 I N 2.928 123.410 120.570 -0.147 0.000 2.337 221 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 221 I C -0.604 175.342 176.117 -0.285 0.000 1.046 221 I CA -0.296 60.921 61.300 -0.139 0.000 1.324 221 I CB 1.328 39.290 38.000 -0.063 0.000 1.409 221 I HN 0.312 nan 8.210 nan 0.000 0.494 222 V N 8.165 127.813 119.914 -0.443 0.000 2.334 222 V HA 0.351 4.470 4.120 -0.000 0.000 0.281 222 V C 0.090 175.679 176.094 -0.843 0.000 1.016 222 V CA -0.544 61.296 62.300 -0.767 0.000 0.832 222 V CB 1.365 32.550 31.823 -1.064 0.000 0.999 222 V HN 0.477 nan 8.190 nan 0.000 0.439 223 L N 5.017 125.860 121.223 -0.634 0.000 2.272 223 L HA 0.478 4.818 4.340 -0.000 0.000 0.289 223 L C 0.398 176.928 176.870 -0.566 0.000 1.032 223 L CA -0.122 54.427 54.840 -0.485 0.000 0.810 223 L CB 1.209 43.178 42.059 -0.151 0.000 1.205 223 L HN 0.566 nan 8.230 nan 0.000 0.422 224 F N 0.307 120.194 119.950 -0.106 0.000 2.530 224 F HA 0.039 4.565 4.527 -0.000 0.000 0.292 224 F C 1.469 177.214 175.800 -0.092 0.000 1.109 224 F CA 0.002 57.931 58.000 -0.119 0.000 1.450 224 F CB 0.262 39.250 39.000 -0.019 0.000 1.114 224 F HN 0.550 nan 8.300 nan 0.000 0.560 225 N N 1.116 119.867 118.700 0.086 0.000 3.034 225 N HA -0.003 4.737 4.740 -0.000 0.000 0.265 225 N C 1.081 176.585 175.510 -0.010 0.000 1.166 225 N CA 0.106 53.181 53.050 0.042 0.000 1.081 225 N CB 0.377 38.895 38.487 0.052 0.000 1.378 225 N HN 0.132 nan 8.380 nan 0.000 0.520 226 T N -1.336 113.200 114.554 -0.029 0.000 2.946 226 T HA -0.200 4.149 4.350 -0.000 0.000 0.271 226 T C 1.922 176.608 174.700 -0.022 0.000 1.104 226 T CA 1.370 63.446 62.100 -0.040 0.000 1.114 226 T CB -0.342 68.489 68.868 -0.061 0.000 0.867 226 T HN 0.432 nan 8.240 nan 0.000 0.513 227 S N 1.150 116.840 115.700 -0.017 0.000 2.507 227 S HA 0.107 4.577 4.470 -0.000 0.000 0.235 227 S C 1.675 176.265 174.600 -0.016 0.000 0.988 227 S CA 0.328 58.520 58.200 -0.013 0.000 0.944 227 S CB -0.782 62.414 63.200 -0.007 0.000 0.762 227 S HN 0.632 nan 8.310 nan 0.000 0.526 228 L N 0.365 121.573 121.223 -0.025 0.000 2.607 228 L HA 0.366 4.706 4.340 -0.000 0.000 0.228 228 L C 2.708 179.541 176.870 -0.062 0.000 1.123 228 L CA 0.360 55.171 54.840 -0.049 0.000 0.890 228 L CB -0.571 41.446 42.059 -0.070 0.000 1.103 228 L HN 0.375 nan 8.230 nan 0.000 0.468 229 A N 0.763 123.585 122.820 0.004 0.000 1.859 229 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 229 A C 2.374 179.974 177.584 0.026 0.000 1.198 229 A CA 2.751 54.862 52.037 0.122 0.000 0.629 229 A CB -0.950 18.125 19.000 0.126 0.000 0.830 229 A HN 0.347 nan 8.150 nan 0.000 0.446 230 T N -0.571 113.964 114.554 -0.031 0.000 2.635 230 T HA -0.209 4.140 4.350 -0.000 0.000 0.267 230 T C 1.884 176.493 174.700 -0.151 0.000 1.040 230 T CA 1.732 63.765 62.100 -0.111 0.000 1.156 230 T CB -0.359 68.482 68.868 -0.045 0.000 0.863 230 T HN 0.735 nan 8.240 nan 0.000 0.430 231 E N 0.249 120.416 120.200 -0.054 0.000 2.085 231 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 231 E C 2.183 178.713 176.600 -0.116 0.000 0.994 231 E CA 1.242 57.636 56.400 -0.011 0.000 0.801 231 E CB -0.203 29.479 29.700 -0.030 0.000 0.743 231 E HN 0.283 nan 8.360 nan 0.000 0.453 232 M N 0.525 119.968 119.600 -0.262 0.000 2.159 232 M HA -0.114 4.365 4.480 -0.000 0.000 0.263 232 M C 2.113 178.132 176.300 -0.468 0.000 1.063 232 M CA 1.528 56.531 55.300 -0.495 0.000 1.110 232 M CB -0.214 31.795 32.600 -0.984 0.000 1.374 232 M HN -0.001 nan 8.290 nan 0.000 0.411 233 S N -0.605 114.895 115.700 -0.334 0.000 2.353 233 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 233 S C 1.811 176.300 174.600 -0.185 0.000 1.035 233 S CA 1.713 59.789 58.200 -0.206 0.000 1.025 233 S CB -0.711 62.322 63.200 -0.278 0.000 0.902 233 S HN 0.628 nan 8.310 nan 0.000 0.440 234 Y N 1.429 121.685 120.300 -0.072 0.000 2.145 234 Y HA -0.121 4.429 4.550 -0.000 0.000 0.286 234 Y C 2.793 178.639 175.900 -0.090 0.000 1.145 234 Y CA 1.034 59.089 58.100 -0.075 0.000 1.148 234 Y CB -0.202 38.214 38.460 -0.074 0.000 0.981 234 Y HN 0.106 nan 8.280 nan 0.000 0.507 235 R N 0.016 120.539 120.500 0.037 0.000 2.091 235 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 235 R C 2.389 178.685 176.300 -0.008 0.000 1.136 235 R CA 1.635 57.721 56.100 -0.023 0.000 0.959 235 R CB -0.350 29.913 30.300 -0.061 0.000 0.856 235 R HN 0.318 nan 8.270 nan 0.000 0.437 236 R N 1.174 121.656 120.500 -0.030 0.000 2.073 236 R HA -0.191 4.148 4.340 -0.000 0.000 0.234 236 R C 2.160 178.510 176.300 0.083 0.000 1.134 236 R CA 1.892 58.019 56.100 0.045 0.000 0.952 236 R CB -0.070 30.235 30.300 0.009 0.000 0.850 236 R HN -0.100 nan 8.270 nan 0.000 0.433 237 K N 0.876 121.301 120.400 0.042 0.000 2.026 237 K HA -0.157 4.162 4.320 -0.000 0.000 0.208 237 K C 2.117 178.719 176.600 0.004 0.000 1.048 237 K CA 1.852 58.156 56.287 0.027 0.000 0.929 237 K CB -0.338 32.170 32.500 0.013 0.000 0.713 237 K HN 0.111 nan 8.250 nan 0.000 0.439 238 R N -0.407 120.089 120.500 -0.007 0.000 2.127 238 R HA -0.067 4.272 4.340 -0.000 0.000 0.238 238 R C 1.410 177.648 176.300 -0.104 0.000 1.134 238 R CA 1.465 57.531 56.100 -0.057 0.000 0.975 238 R CB -0.330 29.925 30.300 -0.075 0.000 0.865 238 R HN 0.291 nan 8.270 nan 0.000 0.447 239 A N -0.463 122.302 122.820 -0.092 0.000 2.278 239 A HA 0.240 4.560 4.320 -0.000 0.000 0.212 239 A C 1.173 178.699 177.584 -0.097 0.000 1.213 239 A CA 0.569 52.525 52.037 -0.136 0.000 0.840 239 A CB -0.082 18.881 19.000 -0.062 0.000 0.866 239 A HN 0.533 nan 8.150 nan 0.000 0.489 240 G N -0.996 107.753 108.800 -0.086 0.000 2.160 240 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 240 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 240 G C 0.387 175.151 174.900 -0.227 0.000 1.008 240 G CA 0.541 45.558 45.100 -0.139 0.000 0.724 240 G HN 0.676 nan 8.290 nan 0.000 0.514 241 H N -1.379 117.740 119.070 0.082 0.000 2.505 241 H HA 0.286 4.842 4.556 -0.000 0.000 0.289 241 H C 0.630 176.017 175.328 0.098 0.000 1.052 241 H CA 0.024 56.131 56.048 0.098 0.000 1.156 241 H CB 0.652 30.482 29.762 0.114 0.000 1.507 241 H HN 0.367 nan 8.280 nan 0.000 0.548 242 L N 2.027 123.351 121.223 0.169 0.000 2.272 242 L HA 0.278 4.617 4.340 -0.000 0.000 0.284 242 L C -0.143 176.874 176.870 0.244 0.000 1.045 242 L CA -0.384 54.575 54.840 0.198 0.000 0.842 242 L CB 0.877 43.034 42.059 0.163 0.000 1.224 242 L HN -0.148 nan 8.230 nan 0.000 0.430 243 S N 2.037 117.845 115.700 0.179 0.000 2.531 243 S HA 0.107 4.577 4.470 -0.000 0.000 0.279 243 S C 1.406 176.007 174.600 0.001 0.000 1.305 243 S CA 0.178 58.443 58.200 0.108 0.000 1.058 243 S CB 1.050 64.298 63.200 0.079 0.000 0.899 243 S HN 0.858 nan 8.310 nan 0.000 0.493 244 S N 3.653 119.251 115.700 -0.171 0.000 2.355 244 S HA -0.042 4.428 4.470 -0.000 0.000 0.222 244 S C 0.577 174.889 174.600 -0.480 0.000 1.031 244 S CA 0.665 58.414 58.200 -0.751 0.000 0.993 244 S CB -0.298 62.556 63.200 -0.577 0.000 0.859 244 S HN 0.639 nan 8.310 nan 0.000 0.453 245 K N 0.936 121.209 120.400 -0.211 0.000 2.333 245 K HA 0.322 4.641 4.320 -0.000 0.000 0.241 245 K C 0.356 176.834 176.600 -0.204 0.000 1.193 245 K CA -0.307 55.864 56.287 -0.193 0.000 1.142 245 K CB 0.286 32.808 32.500 0.037 0.000 1.731 245 K HN 0.206 nan 8.250 nan 0.000 0.344 246 M N 1.873 121.348 119.600 -0.210 0.000 2.267 246 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 246 M C 1.855 178.033 176.300 -0.203 0.000 1.063 246 M CA 1.709 56.924 55.300 -0.141 0.000 1.090 246 M CB -0.135 32.403 32.600 -0.102 0.000 1.392 246 M HN 0.343 nan 8.290 nan 0.000 0.422 247 R N -1.358 118.909 120.500 -0.388 0.000 2.200 247 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 247 R C 1.528 177.616 176.300 -0.354 0.000 1.127 247 R CA 1.746 57.578 56.100 -0.446 0.000 0.989 247 R CB -1.356 28.592 30.300 -0.587 0.000 0.869 247 R HN 0.408 nan 8.270 nan 0.000 0.459 248 F N 0.514 120.440 119.950 -0.040 0.000 2.710 248 F HA 0.139 4.666 4.527 -0.000 0.000 0.298 248 F C 1.911 177.702 175.800 -0.014 0.000 1.137 248 F CA 0.116 58.106 58.000 -0.016 0.000 1.444 248 F CB 0.182 39.179 39.000 -0.004 0.000 1.111 248 F HN -0.058 nan 8.300 nan 0.000 0.580 249 L N -1.622 119.660 121.223 0.098 0.000 2.286 249 L HA -0.032 4.308 4.340 -0.000 0.000 0.203 249 L C 2.356 179.241 176.870 0.024 0.000 1.068 249 L CA 0.423 55.301 54.840 0.063 0.000 0.811 249 L CB -0.387 41.700 42.059 0.047 0.000 0.989 249 L HN -0.063 nan 8.230 nan 0.000 0.467 250 S N 0.527 116.210 115.700 -0.028 0.000 2.382 250 S HA -0.164 4.305 4.470 -0.000 0.000 0.228 250 S C 2.125 176.684 174.600 -0.070 0.000 1.027 250 S CA 1.285 59.451 58.200 -0.057 0.000 0.991 250 S CB -0.219 62.908 63.200 -0.122 0.000 0.823 250 S HN 0.470 nan 8.310 nan 0.000 0.469 251 A N 1.445 124.211 122.820 -0.090 0.000 1.902 251 A HA -0.183 4.136 4.320 -0.000 0.000 0.217 251 A C 2.128 179.737 177.584 0.041 0.000 1.181 251 A CA 1.423 53.420 52.037 -0.068 0.000 0.623 251 A CB -0.617 18.397 19.000 0.024 0.000 0.818 251 A HN 0.544 nan 8.150 nan 0.000 0.443 252 Q N -0.648 119.189 119.800 0.062 0.000 2.020 252 Q HA -0.136 4.203 4.340 -0.000 0.000 0.202 252 Q C 2.017 178.061 176.000 0.073 0.000 0.982 252 Q CA 1.415 57.257 55.803 0.065 0.000 0.838 252 Q CB -0.298 28.465 28.738 0.042 0.000 0.899 252 Q HN 0.590 nan 8.270 nan 0.000 0.423 253 I N 1.098 121.704 120.570 0.060 0.000 2.315 253 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 253 I C 1.980 178.153 176.117 0.094 0.000 1.117 253 I CA 1.398 62.759 61.300 0.102 0.000 1.404 253 I CB -1.139 36.942 38.000 0.135 0.000 1.071 253 I HN 0.256 nan 8.210 nan 0.000 0.419 254 D N 1.140 121.562 120.400 0.037 0.000 2.097 254 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 254 D C 2.210 178.535 176.300 0.042 0.000 0.989 254 D CA 1.668 55.671 54.000 0.004 0.000 0.827 254 D CB 0.182 40.971 40.800 -0.018 0.000 0.966 254 D HN 0.243 nan 8.370 nan 0.000 0.456 255 A N -0.700 122.170 122.820 0.083 0.000 1.902 255 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 255 A C 2.258 179.920 177.584 0.130 0.000 1.181 255 A CA 1.561 53.659 52.037 0.102 0.000 0.623 255 A CB -1.426 17.641 19.000 0.112 0.000 0.818 255 A HN 0.511 nan 8.150 nan 0.000 0.443 256 Y N 0.386 120.691 120.300 0.008 0.000 2.193 256 Y HA -0.102 4.448 4.550 -0.000 0.000 0.285 256 Y C 1.316 177.218 175.900 0.003 0.000 1.166 256 Y CA 1.743 59.858 58.100 0.024 0.000 1.181 256 Y CB -0.119 38.349 38.460 0.013 0.000 0.976 256 Y HN 0.201 nan 8.280 nan 0.000 0.520 257 L N 0.612 121.804 121.223 -0.051 0.000 2.912 257 L HA 0.215 4.554 4.340 -0.000 0.000 0.240 257 L C -0.152 176.686 176.870 -0.054 0.000 1.262 257 L CA -0.122 54.576 54.840 -0.237 0.000 1.058 257 L CB -0.275 41.538 42.059 -0.410 0.000 1.383 257 L HN -0.036 nan 8.230 nan 0.000 0.512 258 T N -1.001 113.567 114.554 0.023 0.000 2.829 258 T HA 0.215 4.565 4.350 -0.000 0.000 0.280 258 T C -0.010 174.728 174.700 0.063 0.000 0.999 258 T CA -0.487 61.637 62.100 0.040 0.000 0.983 258 T CB 1.661 70.554 68.868 0.043 0.000 0.968 258 T HN 0.165 nan 8.240 nan 0.000 0.446 259 D N 2.472 122.905 120.400 0.055 0.000 2.751 259 D HA -0.156 4.484 4.640 -0.000 0.000 0.233 259 D C 0.132 176.464 176.300 0.054 0.000 1.149 259 D CA 0.952 54.981 54.000 0.047 0.000 0.682 259 D CB -0.847 39.975 40.800 0.038 0.000 1.068 259 D HN 0.792 nan 8.370 nan 0.000 0.429 260 D N -1.817 118.643 120.400 0.100 0.000 2.882 260 D HA -0.256 4.383 4.640 -0.000 0.000 0.229 260 D C 1.522 177.842 176.300 0.035 0.000 1.167 260 D CA 0.847 54.900 54.000 0.087 0.000 0.759 260 D CB -0.988 39.797 40.800 -0.026 0.000 1.088 260 D HN 0.398 nan 8.370 nan 0.000 0.425 261 L N 0.360 121.639 121.223 0.094 0.000 2.013 261 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 261 L C 2.529 179.385 176.870 -0.023 0.000 1.073 261 L CA 2.388 57.251 54.840 0.037 0.000 0.753 261 L CB -0.765 41.324 42.059 0.050 0.000 0.890 261 L HN 0.428 nan 8.230 nan 0.000 0.432 262 W N -0.148 120.880 121.300 -0.454 0.000 2.335 262 W HA -0.215 4.445 4.660 -0.000 0.000 0.311 262 W C 2.045 178.395 176.519 -0.282 0.000 1.213 262 W CA 1.376 58.305 57.345 -0.693 0.000 1.274 262 W CB -1.776 26.849 29.460 -1.390 0.000 1.148 262 W HN 0.207 nan 8.180 nan 0.000 0.498 263 L N 0.945 121.679 121.223 -0.816 0.000 2.056 263 L HA -0.122 4.217 4.340 -0.000 0.000 0.207 263 L C 3.104 179.792 176.870 -0.304 0.000 1.078 263 L CA 1.699 56.121 54.840 -0.697 0.000 0.749 263 L CB -0.917 40.668 42.059 -0.790 0.000 0.901 263 L HN -0.107 nan 8.230 nan 0.000 0.433 264 R N -0.013 120.367 120.500 -0.200 0.000 2.091 264 R HA -0.148 4.191 4.340 -0.000 0.000 0.238 264 R C 2.133 178.422 176.300 -0.019 0.000 1.136 264 R CA 1.448 57.497 56.100 -0.085 0.000 0.959 264 R CB -0.472 29.805 30.300 -0.039 0.000 0.856 264 R HN 0.406 nan 8.270 nan 0.000 0.437 265 N N 0.743 119.450 118.700 0.012 0.000 2.120 265 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 265 N C 1.649 177.234 175.510 0.125 0.000 1.024 265 N CA 1.564 54.692 53.050 0.131 0.000 0.852 265 N CB -0.312 38.253 38.487 0.131 0.000 1.003 265 N HN 0.232 nan 8.380 nan 0.000 0.424 266 A N 1.174 124.014 122.820 0.033 0.000 1.930 266 A HA -0.067 4.252 4.320 -0.000 0.000 0.217 266 A C 2.259 179.841 177.584 -0.004 0.000 1.175 266 A CA 1.035 53.085 52.037 0.021 0.000 0.627 266 A CB -0.345 18.621 19.000 -0.056 0.000 0.815 266 A HN 0.215 nan 8.150 nan 0.000 0.443 267 R N -0.183 120.291 120.500 -0.042 0.000 2.081 267 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 267 R C 2.183 178.481 176.300 -0.003 0.000 1.131 267 R CA 1.707 57.783 56.100 -0.040 0.000 0.960 267 R CB -0.244 30.018 30.300 -0.063 0.000 0.856 267 R HN 0.482 nan 8.270 nan 0.000 0.436 268 K N 0.054 120.468 120.400 0.023 0.000 2.097 268 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 268 K C 2.132 178.757 176.600 0.042 0.000 1.049 268 K CA 1.296 57.605 56.287 0.036 0.000 0.933 268 K CB -0.085 32.451 32.500 0.059 0.000 0.717 268 K HN 0.156 nan 8.250 nan 0.000 0.442 269 A N 1.847 124.708 122.820 0.068 0.000 1.873 269 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 269 A C 1.749 179.365 177.584 0.053 0.000 1.186 269 A CA 1.573 53.653 52.037 0.072 0.000 0.616 269 A CB -0.635 18.434 19.000 0.115 0.000 0.823 269 A HN 0.341 nan 8.150 nan 0.000 0.442 270 N N 0.113 118.835 118.700 0.036 0.000 2.188 270 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 270 N C 1.982 177.500 175.510 0.013 0.000 1.018 270 N CA 0.918 53.980 53.050 0.021 0.000 0.858 270 N CB -0.231 38.256 38.487 -0.001 0.000 0.989 270 N HN 0.494 nan 8.380 nan 0.000 0.426 271 A N 1.388 124.212 122.820 0.008 0.000 1.933 271 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 271 A C 2.343 179.933 177.584 0.009 0.000 1.175 271 A CA 1.688 53.727 52.037 0.002 0.000 0.628 271 A CB -0.635 18.365 19.000 -0.001 0.000 0.814 271 A HN 0.359 nan 8.150 nan 0.000 0.444 272 A N -0.231 122.602 122.820 0.023 0.000 1.898 272 A HA 0.218 4.538 4.320 -0.000 0.000 0.216 272 A C 2.499 180.105 177.584 0.036 0.000 1.181 272 A CA 1.925 53.983 52.037 0.035 0.000 0.620 272 A CB -0.964 18.068 19.000 0.053 0.000 0.819 272 A HN 1.014 nan 8.150 nan 0.000 0.442 273 A N -1.146 121.699 122.820 0.042 0.000 1.898 273 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 273 A C 2.138 179.723 177.584 0.002 0.000 1.181 273 A CA 2.015 54.072 52.037 0.033 0.000 0.620 273 A CB -0.475 18.553 19.000 0.047 0.000 0.819 273 A HN 0.488 nan 8.150 nan 0.000 0.442 274 Q N -0.043 119.757 119.800 0.001 0.000 2.124 274 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 274 Q C 2.128 178.114 176.000 -0.022 0.000 0.977 274 Q CA 1.987 57.783 55.803 -0.011 0.000 0.850 274 Q CB -0.343 28.388 28.738 -0.011 0.000 0.901 274 Q HN 0.667 nan 8.270 nan 0.000 0.429 275 R N -0.749 119.739 120.500 -0.020 0.000 2.075 275 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 275 R C 2.059 178.326 176.300 -0.055 0.000 1.126 275 R CA 1.327 57.410 56.100 -0.030 0.000 0.963 275 R CB -0.380 29.909 30.300 -0.018 0.000 0.858 275 R HN 0.376 nan 8.270 nan 0.000 0.435 276 L N 0.601 121.783 121.223 -0.068 0.000 2.046 276 L HA -0.039 4.300 4.340 -0.000 0.000 0.208 276 L C 2.198 178.997 176.870 -0.119 0.000 1.077 276 L CA 2.141 56.902 54.840 -0.132 0.000 0.747 276 L CB -0.623 41.331 42.059 -0.175 0.000 0.896 276 L HN 0.239 nan 8.230 nan 0.000 0.432 277 A N -1.054 121.722 122.820 -0.072 0.000 1.898 277 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 277 A C 2.352 179.902 177.584 -0.056 0.000 1.181 277 A CA 2.074 54.078 52.037 -0.055 0.000 0.620 277 A CB -1.078 17.904 19.000 -0.030 0.000 0.819 277 A HN 0.562 nan 8.150 nan 0.000 0.442 278 Q N -1.072 118.698 119.800 -0.051 0.000 2.224 278 Q HA 0.107 4.447 4.340 -0.000 0.000 0.203 278 Q C 2.167 178.133 176.000 -0.057 0.000 0.970 278 Q CA 1.917 57.692 55.803 -0.046 0.000 0.865 278 Q CB -1.340 27.375 28.738 -0.038 0.000 0.922 278 Q HN 0.803 nan 8.270 nan 0.000 0.445 279 G N -0.309 108.447 108.800 -0.074 0.000 2.539 279 G HA2 0.097 4.057 3.960 -0.000 0.000 0.215 279 G HA3 0.097 4.057 3.960 -0.000 0.000 0.215 279 G C 1.589 176.429 174.900 -0.100 0.000 1.141 279 G CA 0.666 45.714 45.100 -0.086 0.000 0.806 279 G HN 0.470 nan 8.290 nan 0.000 0.533 280 L N 0.065 121.221 121.223 -0.110 0.000 2.179 280 L HA 0.142 4.481 4.340 -0.000 0.000 0.208 280 L C 1.046 177.871 176.870 -0.075 0.000 1.096 280 L CA 0.130 54.904 54.840 -0.110 0.000 0.779 280 L CB -0.142 41.847 42.059 -0.116 0.000 0.922 280 L HN 0.168 nan 8.230 nan 0.000 0.443 281 E N 0.975 121.139 120.200 -0.059 0.000 2.491 281 E HA 0.085 4.434 4.350 -0.000 0.000 0.250 281 E C 0.717 177.292 176.600 -0.043 0.000 1.061 281 E CA 0.627 57.000 56.400 -0.045 0.000 0.942 281 E CB 0.043 29.720 29.700 -0.039 0.000 0.957 281 E HN 0.384 nan 8.360 nan 0.000 0.480 282 G N 3.624 112.401 108.800 -0.039 0.000 2.165 282 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 282 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 282 G C -0.103 174.773 174.900 -0.040 0.000 1.035 282 G CA -0.445 44.634 45.100 -0.036 0.000 0.744 282 G HN 0.408 nan 8.290 nan 0.000 0.501 283 L N 0.053 121.248 121.223 -0.047 0.000 2.330 283 L HA 0.724 5.064 4.340 -0.000 0.000 0.271 283 L C 1.299 178.143 176.870 -0.044 0.000 1.013 283 L CA -0.744 54.066 54.840 -0.051 0.000 0.816 283 L CB 1.744 43.761 42.059 -0.070 0.000 1.287 283 L HN 0.239 nan 8.230 nan 0.000 0.435 284 G N -0.076 108.700 108.800 -0.040 0.000 2.305 284 G HA2 0.340 4.300 3.960 -0.000 0.000 0.243 284 G HA3 0.340 4.300 3.960 -0.000 0.000 0.243 284 G C 0.889 175.769 174.900 -0.034 0.000 1.288 284 G CA 0.524 45.604 45.100 -0.032 0.000 0.901 284 G HN 1.056 nan 8.290 nan 0.000 0.516 285 G N -0.044 108.741 108.800 -0.026 0.000 2.273 285 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.280 285 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.280 285 G C -0.019 174.864 174.900 -0.028 0.000 1.047 285 G CA 0.343 45.430 45.100 -0.022 0.000 0.869 285 G HN 1.507 nan 8.290 nan 0.000 0.502 286 V N -0.996 118.899 119.914 -0.031 0.000 2.567 286 V HA 0.812 4.932 4.120 -0.000 0.000 0.298 286 V C -0.088 175.989 176.094 -0.028 0.000 1.047 286 V CA -0.017 62.262 62.300 -0.036 0.000 0.880 286 V CB 1.609 33.398 31.823 -0.056 0.000 1.009 286 V HN 1.031 nan 8.190 nan 0.000 0.429 287 E N 3.660 123.848 120.200 -0.019 0.000 2.216 287 E HA 0.702 5.052 4.350 -0.000 0.000 0.260 287 E C -0.860 175.734 176.600 -0.010 0.000 0.880 287 E CA -0.535 55.855 56.400 -0.015 0.000 0.765 287 E CB 2.025 31.719 29.700 -0.010 0.000 1.174 287 E HN 0.572 nan 8.360 nan 0.000 0.417 288 V N 3.351 123.257 119.914 -0.013 0.000 2.530 288 V HA 0.399 4.518 4.120 -0.000 0.000 0.282 288 V C 0.231 176.323 176.094 -0.003 0.000 1.048 288 V CA -0.275 62.023 62.300 -0.004 0.000 0.997 288 V CB 0.715 32.531 31.823 -0.012 0.000 0.987 288 V HN 0.746 nan 8.190 nan 0.000 0.477 289 L N 4.877 126.106 121.223 0.011 0.000 2.307 289 L HA 0.891 5.231 4.340 -0.000 0.000 0.284 289 L C 0.683 177.543 176.870 -0.017 0.000 1.023 289 L CA -0.170 54.661 54.840 -0.015 0.000 0.810 289 L CB 1.153 43.189 42.059 -0.037 0.000 1.231 289 L HN 0.926 nan 8.230 nan 0.000 0.423 290 G N 1.917 110.692 108.800 -0.041 0.000 2.728 290 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.294 290 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.294 290 G C 0.392 175.278 174.900 -0.023 0.000 1.342 290 G CA -0.297 44.776 45.100 -0.044 0.000 0.866 290 G HN 0.953 nan 8.290 nan 0.000 0.534 291 G N -1.720 107.065 108.800 -0.025 0.000 3.088 291 G HA2 0.474 4.433 3.960 -0.000 0.000 0.217 291 G HA3 0.474 4.433 3.960 -0.000 0.000 0.217 291 G C 0.908 175.803 174.900 -0.008 0.000 1.159 291 G CA 1.401 46.489 45.100 -0.019 0.000 0.760 291 G HN 2.106 nan 8.290 nan 0.000 0.550 292 T N 0.738 115.297 114.554 0.008 0.000 3.704 292 T HA -0.184 4.166 4.350 -0.000 0.000 0.388 292 T C 1.109 175.814 174.700 0.008 0.000 0.763 292 T CA 1.130 63.242 62.100 0.021 0.000 2.005 292 T CB -1.407 67.470 68.868 0.015 0.000 1.752 292 T HN 0.644 nan 8.240 nan 0.000 0.747 293 E N -0.359 119.843 120.200 0.003 0.000 2.274 293 E HA 0.168 4.518 4.350 -0.000 0.000 0.194 293 E C 1.656 178.255 176.600 -0.002 0.000 0.996 293 E CA 1.013 57.408 56.400 -0.008 0.000 0.840 293 E CB 0.137 29.826 29.700 -0.018 0.000 0.772 293 E HN 0.812 nan 8.360 nan 0.000 0.491 294 A N 1.740 124.570 122.820 0.016 0.000 3.395 294 A HA 0.172 4.491 4.320 -0.000 0.000 0.182 294 A C 0.224 177.831 177.584 0.038 0.000 0.937 294 A CA -0.299 51.752 52.037 0.023 0.000 1.147 294 A CB 0.112 19.133 19.000 0.034 0.000 1.734 294 A HN 0.185 nan 8.150 nan 0.000 0.684 295 N N 0.459 119.194 118.700 0.057 0.000 2.273 295 N HA 0.261 5.001 4.740 -0.000 0.000 0.231 295 N C -0.776 174.783 175.510 0.082 0.000 1.134 295 N CA 0.189 53.283 53.050 0.073 0.000 0.856 295 N CB 0.371 38.911 38.487 0.088 0.000 1.068 295 N HN 0.462 nan 8.380 nan 0.000 0.510 296 I N 0.919 121.530 120.570 0.068 0.000 2.466 296 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 296 I C -1.063 175.064 176.117 0.016 0.000 1.026 296 I CA -0.918 60.403 61.300 0.034 0.000 1.078 296 I CB 2.593 40.626 38.000 0.055 0.000 1.249 296 I HN -0.040 nan 8.210 nan 0.000 0.429 297 L N 6.153 127.334 121.223 -0.069 0.000 2.386 297 L HA 0.663 5.003 4.340 -0.000 0.000 0.271 297 L C -1.724 175.004 176.870 -0.236 0.000 0.993 297 L CA -0.319 54.502 54.840 -0.032 0.000 0.819 297 L CB 1.918 43.995 42.059 0.030 0.000 1.294 297 L HN 0.364 nan 8.230 nan 0.000 0.414 298 F N 3.445 123.324 119.950 -0.119 0.000 2.532 298 F HA 0.705 5.232 4.527 -0.000 0.000 0.321 298 F C -0.085 175.636 175.800 -0.132 0.000 1.089 298 F CA -0.474 57.399 58.000 -0.211 0.000 0.926 298 F CB 1.941 40.751 39.000 -0.317 0.000 1.168 298 F HN 0.694 nan 8.300 nan 0.000 0.459 299 C N 1.329 120.653 119.300 0.041 0.000 3.239 299 C HA 0.725 5.185 4.460 -0.000 0.000 0.329 299 C C -0.934 174.063 174.990 0.010 0.000 1.252 299 C CA -1.312 57.719 59.018 0.023 0.000 1.323 299 C CB 1.701 29.452 27.740 0.020 0.000 1.663 299 C HN 1.010 nan 8.230 nan 0.000 0.487 300 R N 1.902 122.410 120.500 0.013 0.000 2.221 300 R HA 0.792 5.132 4.340 -0.000 0.000 0.327 300 R C -1.224 175.080 176.300 0.006 0.000 1.033 300 R CA -0.404 55.709 56.100 0.022 0.000 0.887 300 R CB 0.448 30.761 30.300 0.022 0.000 1.057 300 R HN 0.866 nan 8.270 nan 0.000 0.455 301 L N 3.002 124.230 121.223 0.008 0.000 2.341 301 L HA 0.387 4.727 4.340 -0.000 0.000 0.267 301 L C -0.540 176.334 176.870 0.007 0.000 1.009 301 L CA -1.252 53.583 54.840 -0.008 0.000 0.819 301 L CB 2.178 44.215 42.059 -0.036 0.000 1.323 301 L HN 0.624 nan 8.230 nan 0.000 0.425 302 D N 0.435 120.833 120.400 -0.003 0.000 2.417 302 D HA 0.061 4.701 4.640 -0.000 0.000 0.250 302 D C 1.011 177.317 176.300 0.010 0.000 1.166 302 D CA 0.302 54.305 54.000 0.005 0.000 0.881 302 D CB 1.243 42.041 40.800 -0.003 0.000 1.164 302 D HN 0.452 nan 8.370 nan 0.000 0.467 303 S N 2.098 117.811 115.700 0.021 0.000 2.381 303 S HA -0.343 4.127 4.470 -0.000 0.000 0.230 303 S C 2.058 176.667 174.600 0.015 0.000 1.052 303 S CA 1.475 59.689 58.200 0.024 0.000 1.068 303 S CB -0.289 62.928 63.200 0.028 0.000 0.918 303 S HN 0.679 nan 8.310 nan 0.000 0.448 304 A N 1.346 124.174 122.820 0.013 0.000 1.978 304 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 304 A C 2.116 179.708 177.584 0.013 0.000 1.170 304 A CA 1.606 53.651 52.037 0.012 0.000 0.636 304 A CB -0.634 18.371 19.000 0.009 0.000 0.810 304 A HN 0.555 nan 8.150 nan 0.000 0.448 305 M N -1.091 118.511 119.600 0.003 0.000 2.419 305 M HA 0.086 4.566 4.480 -0.000 0.000 0.264 305 M C 1.816 178.121 176.300 0.007 0.000 1.082 305 M CA 0.922 56.217 55.300 -0.008 0.000 1.119 305 M CB -0.371 32.209 32.600 -0.034 0.000 1.398 305 M HN 0.355 nan 8.290 nan 0.000 0.453 306 I N 0.436 121.021 120.570 0.026 0.000 2.353 306 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 306 I C 1.730 177.916 176.117 0.116 0.000 1.119 306 I CA 0.957 62.308 61.300 0.085 0.000 1.417 306 I CB -0.378 37.647 38.000 0.043 0.000 1.078 306 I HN 0.239 nan 8.210 nan 0.000 0.421 307 D N 1.235 121.664 120.400 0.048 0.000 2.149 307 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 307 D C 2.259 178.610 176.300 0.085 0.000 0.972 307 D CA 1.325 55.351 54.000 0.044 0.000 0.835 307 D CB -0.044 40.770 40.800 0.022 0.000 0.966 307 D HN 0.300 nan 8.370 nan 0.000 0.476 308 A N 0.866 123.734 122.820 0.080 0.000 1.933 308 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 308 A C 2.366 180.051 177.584 0.169 0.000 1.175 308 A CA 0.816 52.909 52.037 0.093 0.000 0.628 308 A CB -0.652 18.380 19.000 0.052 0.000 0.814 308 A HN 0.178 nan 8.150 nan 0.000 0.444 309 L N -0.878 120.464 121.223 0.198 0.000 2.072 309 L HA -0.104 4.235 4.340 -0.000 0.000 0.205 309 L C 2.508 179.715 176.870 0.562 0.000 1.079 309 L CA 0.772 55.827 54.840 0.358 0.000 0.752 309 L CB -0.525 41.622 42.059 0.147 0.000 0.906 309 L HN 0.346 nan 8.230 nan 0.000 0.436 310 L N 0.035 121.488 121.223 0.382 0.000 2.046 310 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 310 L C 2.681 179.647 176.870 0.159 0.000 1.077 310 L CA 1.373 56.338 54.840 0.207 0.000 0.747 310 L CB -0.423 41.654 42.059 0.030 0.000 0.896 310 L HN 0.250 nan 8.230 nan 0.000 0.432 311 K N 0.394 120.880 120.400 0.144 0.000 2.217 311 K HA -0.090 4.229 4.320 -0.000 0.000 0.202 311 K C 1.892 178.561 176.600 0.115 0.000 1.051 311 K CA 0.975 57.322 56.287 0.100 0.000 0.952 311 K CB 0.035 32.583 32.500 0.080 0.000 0.736 311 K HN 0.261 nan 8.250 nan 0.000 0.453 312 A N 0.294 123.232 122.820 0.196 0.000 2.239 312 A HA 0.135 4.455 4.320 -0.000 0.000 0.209 312 A C 1.288 178.873 177.584 0.003 0.000 1.171 312 A CA 0.935 53.074 52.037 0.170 0.000 0.768 312 A CB -0.468 18.769 19.000 0.394 0.000 0.790 312 A HN 0.542 nan 8.150 nan 0.000 0.478 313 G N -2.203 106.634 108.800 0.062 0.000 2.141 313 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.242 313 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.242 313 G C -0.046 174.848 174.900 -0.009 0.000 0.982 313 G CA -0.004 45.085 45.100 -0.018 0.000 0.662 313 G HN 0.320 nan 8.290 nan 0.000 0.527 314 F N 0.900 121.000 119.950 0.250 0.000 2.389 314 F HA 0.538 5.065 4.527 -0.000 0.000 0.337 314 F C 1.267 177.268 175.800 0.335 0.000 1.112 314 F CA 0.487 58.722 58.000 0.392 0.000 1.192 314 F CB 1.439 40.760 39.000 0.535 0.000 1.185 314 F HN 0.168 nan 8.300 nan 0.000 0.552 315 G N 3.281 112.415 108.800 0.557 0.000 2.384 315 G HA2 0.588 4.547 3.960 -0.000 0.000 0.316 315 G HA3 0.588 4.547 3.960 -0.000 0.000 0.316 315 G C -1.593 173.562 174.900 0.425 0.000 1.160 315 G CA -0.385 44.875 45.100 0.267 0.000 0.936 315 G HN 0.576 nan 8.290 nan 0.000 0.455 316 F N 0.560 120.582 119.950 0.120 0.000 2.741 316 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 316 F C -1.790 173.974 175.800 -0.059 0.000 1.149 316 F CA -2.304 55.724 58.000 0.046 0.000 0.930 316 F CB 0.919 39.932 39.000 0.021 0.000 1.312 316 F HN 0.368 nan 8.300 nan 0.000 0.450 317 Y N 0.843 121.317 120.300 0.290 0.000 2.320 317 Y HA 0.490 5.040 4.550 -0.000 0.000 0.324 317 Y C 0.604 176.741 175.900 0.395 0.000 1.190 317 Y CA 0.236 58.441 58.100 0.175 0.000 1.215 317 Y CB 1.147 39.749 38.460 0.238 0.000 1.221 317 Y HN 0.815 nan 8.280 nan 0.000 0.486 318 H N -2.349 116.963 119.070 0.403 0.000 3.474 318 H HA 0.324 4.880 4.556 -0.000 0.000 0.259 318 H C 0.064 175.550 175.328 0.263 0.000 1.164 318 H CA 0.340 56.619 56.048 0.385 0.000 1.078 318 H CB -0.231 29.745 29.762 0.356 0.000 1.957 318 H HN 0.649 nan 8.280 nan 0.000 0.765 319 D N 1.070 121.448 120.400 -0.037 0.000 2.502 319 D HA 0.100 4.739 4.640 -0.000 0.000 0.232 319 D C 1.747 177.935 176.300 -0.188 0.000 1.137 319 D CA -0.204 53.759 54.000 -0.061 0.000 0.827 319 D CB 0.114 40.825 40.800 -0.149 0.000 1.141 319 D HN 0.128 nan 8.370 nan 0.000 0.517 320 R N -0.306 119.890 120.500 -0.507 0.000 2.280 320 R HA 0.081 4.421 4.340 -0.000 0.000 0.207 320 R C 0.560 176.259 176.300 -1.002 0.000 1.043 320 R CA 0.390 55.912 56.100 -0.963 0.000 1.006 320 R CB -0.039 29.272 30.300 -1.648 0.000 0.885 320 R HN 0.617 nan 8.270 nan 0.000 0.467 321 W N -0.181 121.160 121.300 0.067 0.000 3.476 321 W HA 0.472 5.132 4.660 -0.000 0.000 0.631 321 W C 0.906 177.452 176.519 0.044 0.000 2.421 321 W CA -0.680 56.697 57.345 0.053 0.000 0.972 321 W CB -0.972 28.532 29.460 0.074 0.000 2.929 321 W HN -0.111 nan 8.180 nan 0.000 0.617 322 G N 1.493 110.496 108.800 0.337 0.000 2.621 322 G HA2 0.415 4.375 3.960 -0.000 0.000 0.271 322 G HA3 0.415 4.375 3.960 -0.000 0.000 0.271 322 G C -2.451 172.555 174.900 0.178 0.000 1.236 322 G CA -0.783 44.429 45.100 0.186 0.000 0.958 322 G HN -0.106 nan 8.290 nan 0.000 0.512 323 P HA 0.155 nan 4.420 nan 0.000 0.271 323 P C -0.520 176.853 177.300 0.122 0.000 1.220 323 P CA -0.040 63.129 63.100 0.116 0.000 0.768 323 P CB 0.868 32.616 31.700 0.080 0.000 0.848 324 N N -0.226 118.560 118.700 0.143 0.000 2.850 324 N HA -0.119 4.620 4.740 -0.000 0.000 0.249 324 N C -0.588 175.006 175.510 0.140 0.000 1.060 324 N CA 0.841 53.967 53.050 0.127 0.000 0.825 324 N CB -1.926 36.609 38.487 0.080 0.000 1.132 324 N HN 0.206 nan 8.380 nan 0.000 0.564 325 V N 0.866 120.904 119.914 0.207 0.000 2.364 325 V HA 0.479 4.599 4.120 -0.000 0.000 0.272 325 V C 0.600 176.859 176.094 0.275 0.000 1.036 325 V CA -0.599 61.829 62.300 0.212 0.000 0.880 325 V CB 1.636 33.612 31.823 0.255 0.000 0.991 325 V HN -0.013 nan 8.190 nan 0.000 0.460 326 V N 5.889 125.852 119.914 0.082 0.000 2.732 326 V HA 0.598 4.718 4.120 -0.000 0.000 0.310 326 V C 0.064 175.922 176.094 -0.392 0.000 1.053 326 V CA -0.848 61.414 62.300 -0.063 0.000 0.957 326 V CB 2.117 33.734 31.823 -0.343 0.000 1.018 326 V HN 0.843 nan 8.190 nan 0.000 0.452 327 R N 2.361 122.580 120.500 -0.468 0.000 2.513 327 R HA 0.580 4.920 4.340 -0.000 0.000 0.301 327 R C -1.971 173.982 176.300 -0.579 0.000 0.968 327 R CA -0.407 55.224 56.100 -0.781 0.000 0.872 327 R CB 1.273 31.065 30.300 -0.847 0.000 1.177 327 R HN 0.599 nan 8.270 nan 0.000 0.444 328 F N 3.512 123.313 119.950 -0.249 0.000 2.482 328 F HA 0.457 4.984 4.527 -0.000 0.000 0.331 328 F C -0.287 175.520 175.800 0.012 0.000 1.115 328 F CA -1.004 56.961 58.000 -0.059 0.000 0.955 328 F CB 2.253 41.111 39.000 -0.237 0.000 1.136 328 F HN 0.046 nan 8.300 nan 0.000 0.452 329 V N 1.947 122.085 119.914 0.374 0.000 2.540 329 V HA 0.530 4.650 4.120 -0.000 0.000 0.302 329 V C -0.139 176.132 176.094 0.294 0.000 1.035 329 V CA -0.776 61.675 62.300 0.252 0.000 0.873 329 V CB 1.967 33.912 31.823 0.203 0.000 0.992 329 V HN 0.856 nan 8.190 nan 0.000 0.428 330 T N 1.078 115.758 114.554 0.210 0.000 2.952 330 T HA 0.828 5.177 4.350 -0.000 0.000 0.286 330 T C 0.015 174.764 174.700 0.082 0.000 1.024 330 T CA -0.337 61.849 62.100 0.142 0.000 1.029 330 T CB 1.912 70.866 68.868 0.144 0.000 1.094 330 T HN 0.894 nan 8.240 nan 0.000 0.515 331 S N 0.308 116.012 115.700 0.007 0.000 2.745 331 S HA 0.506 4.975 4.470 -0.000 0.000 0.306 331 S C 0.868 175.454 174.600 -0.023 0.000 1.137 331 S CA -0.773 57.444 58.200 0.028 0.000 0.900 331 S CB 0.586 63.765 63.200 -0.035 0.000 1.176 331 S HN 0.926 nan 8.310 nan 0.000 0.520 332 F N -0.052 119.929 119.950 0.051 0.000 2.307 332 F HA 0.272 4.798 4.527 -0.000 0.000 0.301 332 F C 1.719 177.541 175.800 0.035 0.000 1.076 332 F CA 0.796 58.826 58.000 0.050 0.000 1.383 332 F CB -0.635 38.412 39.000 0.078 0.000 1.055 332 F HN 0.579 nan 8.300 nan 0.000 0.526 333 A N -0.154 121.989 122.820 -1.128 0.000 2.308 333 A HA 0.213 4.532 4.320 -0.000 0.000 0.217 333 A C 0.855 178.220 177.584 -0.365 0.000 1.216 333 A CA 0.027 51.591 52.037 -0.789 0.000 0.864 333 A CB -0.942 17.448 19.000 -1.017 0.000 0.902 333 A HN 0.254 nan 8.150 nan 0.000 0.499 334 T N 2.812 117.206 114.554 -0.267 0.000 2.769 334 T HA 0.347 4.697 4.350 -0.000 0.000 0.293 334 T C 0.714 175.369 174.700 -0.075 0.000 0.931 334 T CA 0.587 62.596 62.100 -0.151 0.000 1.139 334 T CB 0.327 69.144 68.868 -0.085 0.000 0.881 334 T HN 0.554 nan 8.240 nan 0.000 0.532 335 T N 0.588 115.108 114.554 -0.057 0.000 2.847 335 T HA 0.557 4.906 4.350 -0.000 0.000 0.279 335 T C 1.738 176.445 174.700 0.011 0.000 0.984 335 T CA -0.544 61.543 62.100 -0.022 0.000 0.988 335 T CB 1.075 69.930 68.868 -0.022 0.000 1.040 335 T HN 0.445 nan 8.240 nan 0.000 0.528 336 A N 0.471 123.299 122.820 0.012 0.000 1.972 336 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 336 A C 2.144 179.749 177.584 0.035 0.000 1.169 336 A CA 1.510 53.559 52.037 0.020 0.000 0.635 336 A CB -0.998 18.008 19.000 0.010 0.000 0.810 336 A HN 0.909 nan 8.150 nan 0.000 0.446 337 E N 0.702 120.922 120.200 0.032 0.000 2.051 337 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 337 E C 1.569 178.225 176.600 0.094 0.000 0.991 337 E CA 1.385 57.813 56.400 0.047 0.000 0.799 337 E CB -0.247 29.466 29.700 0.022 0.000 0.748 337 E HN 0.559 nan 8.360 nan 0.000 0.449 338 D N -0.096 120.358 120.400 0.090 0.000 2.123 338 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 338 D C 1.992 178.473 176.300 0.302 0.000 0.992 338 D CA 1.000 55.102 54.000 0.169 0.000 0.833 338 D CB -0.187 40.655 40.800 0.070 0.000 0.954 338 D HN 0.050 nan 8.370 nan 0.000 0.455 339 V N 1.655 121.690 119.914 0.201 0.000 2.358 339 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 339 V C 1.792 177.913 176.094 0.044 0.000 1.047 339 V CA 1.575 63.954 62.300 0.132 0.000 1.035 339 V CB -0.338 31.522 31.823 0.061 0.000 0.658 339 V HN 0.049 nan 8.190 nan 0.000 0.452 340 D N -1.086 119.353 120.400 0.065 0.000 2.219 340 D HA -0.160 4.479 4.640 -0.000 0.000 0.205 340 D C 1.980 178.324 176.300 0.073 0.000 0.970 340 D CA 1.313 55.335 54.000 0.036 0.000 0.851 340 D CB -0.185 40.640 40.800 0.040 0.000 0.943 340 D HN 0.625 nan 8.370 nan 0.000 0.488 341 H N 0.564 119.674 119.070 0.068 0.000 2.333 341 H HA -0.042 4.514 4.556 -0.000 0.000 0.302 341 H C 1.954 177.368 175.328 0.142 0.000 1.075 341 H CA 0.998 57.119 56.048 0.122 0.000 1.348 341 H CB -0.391 29.476 29.762 0.175 0.000 1.393 341 H HN 0.038 nan 8.280 nan 0.000 0.509 342 L N 0.176 121.380 121.223 -0.031 0.000 2.046 342 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 342 L C 2.164 178.732 176.870 -0.505 0.000 1.077 342 L CA 1.509 56.081 54.840 -0.447 0.000 0.747 342 L CB -0.795 40.822 42.059 -0.737 0.000 0.896 342 L HN 0.410 nan 8.230 nan 0.000 0.432 343 L N -0.429 120.597 121.223 -0.329 0.000 2.046 343 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 343 L C 2.482 179.226 176.870 -0.211 0.000 1.077 343 L CA 1.904 56.581 54.840 -0.273 0.000 0.747 343 L CB -0.793 41.158 42.059 -0.179 0.000 0.896 343 L HN 0.545 nan 8.230 nan 0.000 0.432 344 N N -0.575 118.033 118.700 -0.154 0.000 2.043 344 N HA -0.240 4.500 4.740 -0.000 0.000 0.193 344 N C 1.908 177.340 175.510 -0.131 0.000 1.037 344 N CA 1.108 54.096 53.050 -0.103 0.000 0.851 344 N CB 0.122 38.587 38.487 -0.036 0.000 1.027 344 N HN 0.318 nan 8.380 nan 0.000 0.422 345 Q N 0.483 120.164 119.800 -0.198 0.000 2.170 345 Q HA -0.077 4.263 4.340 -0.000 0.000 0.203 345 Q C 2.256 178.141 176.000 -0.192 0.000 0.976 345 Q CA 0.732 56.442 55.803 -0.155 0.000 0.858 345 Q CB -0.279 28.399 28.738 -0.099 0.000 0.907 345 Q HN 0.349 nan 8.270 nan 0.000 0.433 346 V N 0.958 120.700 119.914 -0.287 0.000 2.307 346 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 346 V C 2.382 178.383 176.094 -0.154 0.000 1.045 346 V CA 1.625 63.773 62.300 -0.253 0.000 1.024 346 V CB -0.418 31.217 31.823 -0.313 0.000 0.651 346 V HN 0.328 nan 8.190 nan 0.000 0.449 347 R N 0.084 120.502 120.500 -0.137 0.000 2.082 347 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 347 R C 2.306 178.567 176.300 -0.065 0.000 1.136 347 R CA 1.675 57.721 56.100 -0.091 0.000 0.935 347 R CB -0.775 29.478 30.300 -0.078 0.000 0.842 347 R HN 0.377 nan 8.270 nan 0.000 0.430 348 L N 0.520 121.709 121.223 -0.057 0.000 2.189 348 L HA -0.165 4.175 4.340 -0.000 0.000 0.214 348 L C 2.351 179.205 176.870 -0.027 0.000 1.097 348 L CA 1.168 55.989 54.840 -0.032 0.000 0.764 348 L CB -0.447 41.602 42.059 -0.017 0.000 0.900 348 L HN 0.296 nan 8.230 nan 0.000 0.436 349 A N -0.628 122.167 122.820 -0.042 0.000 2.275 349 A HA 0.473 4.793 4.320 -0.000 0.000 0.212 349 A C 1.246 178.809 177.584 -0.034 0.000 1.201 349 A CA 0.450 52.469 52.037 -0.030 0.000 0.843 349 A CB -0.238 18.742 19.000 -0.035 0.000 0.873 349 A HN 0.281 nan 8.150 nan 0.000 0.492 350 A N 0.000 122.794 122.820 -0.043 0.000 2.254 350 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 350 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 350 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 350 A HN 0.000 nan 8.150 nan 0.000 0.486