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 1nzo_1_A DATA FIRST_RESID 4 DATA SEQUENCE NIKTMIPGVP QIDAESYILI DYNSGKVLAE QNADVRRDPA SLTKMMTSYV DATA SEQUENCE IGQAMKAGKF KETDLVTIGN DAWATGNPVF KGSSLMFLKP GMQVPVSQLI DATA SEQUENCE RGINLQSGND ACVAMADFAA GSQDAFVGLM NSYVNALGLK NTHFQTVHGL DATA SEQUENCE DADGQYSSAR DMALIGQALI RDVPNEYSIY KEKEFTFNGI RQLNRNGLLW DATA SEQUENCE DNSLNVDGIK TGHTDKAGYN LVASATEGQM RLISAVMGGR TFKGREAESK DATA SEQUENCE KLLTWGFRFF ETVNPLKVGK EFASEPVWFG DSDRASLGVD KDVYLTIPRG DATA SEQUENCE RMKDLKASYV LNSSELHAPL QKNQVVGTIN FQLDGKTIEQ RPLVVLQEIP DATA SEQUENCE EG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.516 175.510 0.009 0.000 1.280 4 N CA 0.000 53.056 53.050 0.010 0.000 0.885 4 N CB 0.000 38.493 38.487 0.010 0.000 1.341 5 I N 1.607 122.183 120.570 0.010 0.000 2.439 5 I HA 0.047 4.214 4.170 -0.004 0.000 0.251 5 I C 1.657 177.779 176.117 0.008 0.000 1.139 5 I CA 1.485 62.792 61.300 0.011 0.000 1.438 5 I CB 0.078 38.087 38.000 0.014 0.000 1.085 5 I HN 0.018 nan 8.210 nan 0.000 0.427 6 K N -0.167 120.238 120.400 0.008 0.000 2.211 6 K HA -0.010 4.308 4.320 -0.004 0.000 0.203 6 K C 1.556 178.159 176.600 0.006 0.000 1.050 6 K CA 1.637 57.928 56.287 0.007 0.000 0.945 6 K CB -0.356 32.149 32.500 0.010 0.000 0.732 6 K HN 0.538 nan 8.250 nan 0.000 0.451 7 T N -1.834 112.725 114.554 0.007 0.000 3.132 7 T HA 0.190 4.538 4.350 -0.004 0.000 0.274 7 T C 0.815 175.518 174.700 0.004 0.000 1.011 7 T CA -0.551 61.555 62.100 0.010 0.000 0.899 7 T CB -0.392 68.486 68.868 0.016 0.000 1.089 7 T HN 0.093 nan 8.240 nan 0.000 0.543 8 M N 1.263 120.860 119.600 -0.004 0.000 2.245 8 M HA 0.319 4.797 4.480 -0.004 0.000 0.335 8 M C -0.056 176.225 176.300 -0.031 0.000 1.155 8 M CA 0.051 55.342 55.300 -0.014 0.000 1.055 8 M CB 0.269 32.857 32.600 -0.019 0.000 1.670 8 M HN 0.205 nan 8.290 nan 0.000 0.447 9 I N 5.006 125.565 120.570 -0.019 0.000 2.339 9 I HA 0.486 4.653 4.170 -0.004 0.000 0.290 9 I C -2.178 173.910 176.117 -0.047 0.000 0.994 9 I CA -2.384 58.911 61.300 -0.008 0.000 1.191 9 I CB 1.446 39.476 38.000 0.049 0.000 1.343 9 I HN 0.673 nan 8.210 nan 0.000 0.458 10 P HA 0.260 nan 4.420 nan 0.000 0.271 10 P C -0.159 177.167 177.300 0.042 0.000 1.218 10 P CA -0.227 62.706 63.100 -0.278 0.000 0.780 10 P CB 0.661 31.807 31.700 -0.924 0.000 0.901 11 G N 1.064 109.877 108.800 0.021 0.000 2.432 11 G HA2 0.397 4.354 3.960 -0.004 0.000 0.257 11 G HA3 0.397 4.354 3.960 -0.004 0.000 0.257 11 G C -0.402 174.521 174.900 0.040 0.000 1.238 11 G CA -0.472 44.657 45.100 0.050 0.000 0.838 11 G HN 0.385 nan 8.290 nan 0.000 0.547 12 V N 3.827 123.657 119.914 -0.141 0.000 2.546 12 V HA 0.220 4.337 4.120 -0.004 0.000 0.284 12 V C -1.480 174.344 176.094 -0.450 0.000 1.050 12 V CA -1.179 60.758 62.300 -0.605 0.000 0.981 12 V CB 1.122 32.665 31.823 -0.466 0.000 0.990 12 V HN 0.650 nan 8.190 nan 0.000 0.474 13 P HA 0.202 nan 4.420 nan 0.000 0.272 13 P C -0.587 176.564 177.300 -0.248 0.000 1.223 13 P CA -0.492 62.417 63.100 -0.317 0.000 0.784 13 P CB 0.377 31.894 31.700 -0.305 0.000 0.923 14 Q N 1.215 120.930 119.800 -0.141 0.000 2.311 14 Q HA 0.233 4.570 4.340 -0.004 0.000 0.272 14 Q C -0.733 175.190 176.000 -0.129 0.000 1.012 14 Q CA 0.579 56.326 55.803 -0.093 0.000 0.891 14 Q CB 0.035 28.746 28.738 -0.045 0.000 1.201 14 Q HN 0.244 nan 8.270 nan 0.000 0.391 15 I N 3.084 123.588 120.570 -0.109 0.000 2.406 15 I HA 0.167 4.334 4.170 -0.004 0.000 0.290 15 I C -0.519 175.590 176.117 -0.014 0.000 0.999 15 I CA -0.742 60.465 61.300 -0.155 0.000 1.124 15 I CB 1.602 39.326 38.000 -0.460 0.000 1.289 15 I HN 0.627 nan 8.210 nan 0.000 0.441 16 D N 6.124 126.513 120.400 -0.017 0.000 2.619 16 D HA 0.566 5.204 4.640 -0.004 0.000 0.224 16 D C -0.371 175.961 176.300 0.054 0.000 1.133 16 D CA 0.194 54.208 54.000 0.023 0.000 1.017 16 D CB 0.156 40.963 40.800 0.011 0.000 1.077 16 D HN 0.700 nan 8.370 nan 0.000 0.503 17 A N 2.147 125.022 122.820 0.091 0.000 2.608 17 A HA 0.341 4.658 4.320 -0.004 0.000 0.292 17 A C 0.823 178.481 177.584 0.124 0.000 1.066 17 A CA -0.593 51.514 52.037 0.117 0.000 0.676 17 A CB 1.065 20.145 19.000 0.133 0.000 1.277 17 A HN 0.140 nan 8.150 nan 0.000 0.413 18 E N 0.361 120.617 120.200 0.094 0.000 2.072 18 E HA 0.019 4.367 4.350 -0.004 0.000 0.191 18 E C 0.105 176.727 176.600 0.037 0.000 0.985 18 E CA 1.490 57.924 56.400 0.057 0.000 0.801 18 E CB 0.080 29.803 29.700 0.039 0.000 0.750 18 E HN 0.492 nan 8.360 nan 0.000 0.452 19 S N -0.877 114.862 115.700 0.066 0.000 2.546 19 S HA 0.574 5.041 4.470 -0.004 0.000 0.274 19 S C -1.051 173.616 174.600 0.112 0.000 1.121 19 S CA -0.855 57.348 58.200 0.006 0.000 0.887 19 S CB 1.692 64.891 63.200 -0.002 0.000 1.094 19 S HN 0.278 nan 8.310 nan 0.000 0.474 20 Y N -0.078 120.218 120.300 -0.008 0.000 2.702 20 Y HA 0.830 5.379 4.550 -0.003 0.000 0.336 20 Y C -1.721 174.170 175.900 -0.015 0.000 1.203 20 Y CA -1.247 56.847 58.100 -0.008 0.000 1.072 20 Y CB 0.834 39.285 38.460 -0.017 0.000 1.327 20 Y HN 0.726 nan 8.280 nan 0.000 0.456 21 I N 2.327 123.054 120.570 0.261 0.000 2.984 21 I HA 0.580 4.748 4.170 -0.004 0.000 0.303 21 I C -2.219 173.999 176.117 0.168 0.000 1.381 21 I CA -1.194 60.203 61.300 0.163 0.000 0.988 21 I CB 2.452 40.478 38.000 0.043 0.000 1.307 21 I HN 0.869 nan 8.210 nan 0.000 0.460 22 L N 7.650 128.947 121.223 0.124 0.000 2.439 22 L HA 0.663 5.000 4.340 -0.004 0.000 0.270 22 L C -1.384 175.494 176.870 0.014 0.000 0.972 22 L CA -0.556 54.329 54.840 0.075 0.000 0.836 22 L CB 1.698 43.829 42.059 0.121 0.000 1.255 22 L HN 0.618 nan 8.230 nan 0.000 0.404 23 I N 0.231 120.791 120.570 -0.017 0.000 2.934 23 I HA 0.536 4.703 4.170 -0.004 0.000 0.306 23 I C -1.014 175.066 176.117 -0.061 0.000 1.110 23 I CA -0.779 60.492 61.300 -0.048 0.000 1.019 23 I CB 2.355 40.334 38.000 -0.034 0.000 1.227 23 I HN 0.443 nan 8.210 nan 0.000 0.434 24 D N 2.603 122.956 120.400 -0.080 0.000 2.277 24 D HA 0.065 4.703 4.640 -0.004 0.000 0.249 24 D C 0.246 176.526 176.300 -0.034 0.000 1.134 24 D CA -0.110 53.853 54.000 -0.061 0.000 0.863 24 D CB 1.259 42.012 40.800 -0.078 0.000 1.143 24 D HN 0.748 nan 8.370 nan 0.000 0.458 25 Y N 5.296 125.523 120.300 -0.122 0.000 2.224 25 Y HA -0.207 4.341 4.550 -0.004 0.000 0.289 25 Y C 1.308 177.104 175.900 -0.173 0.000 1.146 25 Y CA 1.907 59.923 58.100 -0.139 0.000 1.182 25 Y CB 0.007 38.380 38.460 -0.145 0.000 0.983 25 Y HN 0.458 nan 8.280 nan 0.000 0.524 26 N N -0.641 117.856 118.700 -0.339 0.000 2.173 26 N HA -0.120 4.618 4.740 -0.004 0.000 0.184 26 N C 1.906 177.222 175.510 -0.323 0.000 1.025 26 N CA 1.531 54.227 53.050 -0.590 0.000 0.852 26 N CB -0.220 37.747 38.487 -0.867 0.000 0.998 26 N HN 0.419 nan 8.380 nan 0.000 0.427 27 S N -0.947 114.665 115.700 -0.146 0.000 2.478 27 S HA 0.209 4.676 4.470 -0.004 0.000 0.222 27 S C 1.687 176.236 174.600 -0.085 0.000 1.008 27 S CA 0.563 58.733 58.200 -0.050 0.000 0.928 27 S CB 0.165 63.354 63.200 -0.018 0.000 0.781 27 S HN 0.433 nan 8.310 nan 0.000 0.518 28 G N 0.889 109.618 108.800 -0.118 0.000 2.179 28 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.260 28 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.260 28 G C 0.061 174.915 174.900 -0.076 0.000 0.977 28 G CA 0.363 45.403 45.100 -0.100 0.000 0.641 28 G HN 0.765 nan 8.290 nan 0.000 0.533 29 K N 0.813 121.165 120.400 -0.080 0.000 2.448 29 K HA 0.455 4.772 4.320 -0.004 0.000 0.278 29 K C 0.558 177.100 176.600 -0.097 0.000 1.009 29 K CA -0.099 56.137 56.287 -0.085 0.000 0.995 29 K CB 0.777 33.215 32.500 -0.104 0.000 0.917 29 K HN 0.203 nan 8.250 nan 0.000 0.481 30 V N 7.783 127.649 119.914 -0.079 0.000 2.408 30 V HA 0.080 4.198 4.120 -0.004 0.000 0.267 30 V C 1.214 177.250 176.094 -0.096 0.000 1.047 30 V CA -0.212 62.048 62.300 -0.067 0.000 0.937 30 V CB 0.712 32.511 31.823 -0.040 0.000 0.999 30 V HN 0.779 nan 8.190 nan 0.000 0.472 31 L N 3.797 124.949 121.223 -0.119 0.000 2.270 31 L HA 0.428 4.766 4.340 -0.004 0.000 0.210 31 L C 0.914 177.838 176.870 0.091 0.000 1.104 31 L CA 0.943 55.661 54.840 -0.203 0.000 0.804 31 L CB 0.073 41.926 42.059 -0.343 0.000 0.937 31 L HN 0.789 nan 8.230 nan 0.000 0.450 32 A N 0.435 123.330 122.820 0.125 0.000 2.590 32 A HA 0.594 4.912 4.320 -0.004 0.000 0.294 32 A C -1.387 176.272 177.584 0.126 0.000 1.046 32 A CA -0.574 51.558 52.037 0.157 0.000 0.684 32 A CB 1.283 20.379 19.000 0.160 0.000 1.279 32 A HN 0.158 nan 8.150 nan 0.000 0.415 33 E N 0.584 120.783 120.200 -0.001 0.000 2.388 33 E HA 0.654 5.002 4.350 -0.004 0.000 0.280 33 E C -1.259 175.025 176.600 -0.525 0.000 1.019 33 E CA -0.835 55.420 56.400 -0.241 0.000 0.806 33 E CB 1.629 31.250 29.700 -0.132 0.000 1.246 33 E HN 0.679 nan 8.360 nan 0.000 0.443 34 Q N 1.825 121.131 119.800 -0.824 0.000 2.296 34 Q HA 0.243 4.581 4.340 -0.004 0.000 0.254 34 Q C -1.048 174.711 176.000 -0.401 0.000 0.936 34 Q CA -0.545 54.881 55.803 -0.628 0.000 0.834 34 Q CB 0.915 29.145 28.738 -0.847 0.000 1.340 34 Q HN 0.686 nan 8.270 nan 0.000 0.428 35 N N 1.575 120.140 118.700 -0.225 0.000 2.721 35 N HA -0.255 4.482 4.740 -0.004 0.000 0.249 35 N C 0.297 175.732 175.510 -0.124 0.000 1.072 35 N CA 1.079 54.043 53.050 -0.143 0.000 0.710 35 N CB -1.092 37.328 38.487 -0.112 0.000 0.993 35 N HN 0.689 nan 8.380 nan 0.000 0.547 36 A N -0.513 122.225 122.820 -0.136 0.000 2.121 36 A HA -0.099 4.219 4.320 -0.004 0.000 0.218 36 A C 1.527 179.079 177.584 -0.053 0.000 1.154 36 A CA 1.214 53.195 52.037 -0.094 0.000 0.679 36 A CB 0.166 19.108 19.000 -0.096 0.000 0.795 36 A HN 0.297 nan 8.150 nan 0.000 0.458 37 D N -0.676 119.691 120.400 -0.055 0.000 2.398 37 D HA 0.160 4.797 4.640 -0.004 0.000 0.210 37 D C -0.030 176.244 176.300 -0.043 0.000 1.094 37 D CA 0.060 54.036 54.000 -0.040 0.000 0.839 37 D CB 0.473 41.248 40.800 -0.042 0.000 0.963 37 D HN 0.129 nan 8.370 nan 0.000 0.506 38 V N 2.181 122.066 119.914 -0.049 0.000 2.585 38 V HA -0.002 4.116 4.120 -0.004 0.000 0.296 38 V C 1.002 177.070 176.094 -0.043 0.000 1.035 38 V CA -0.028 62.240 62.300 -0.053 0.000 1.084 38 V CB 0.593 32.386 31.823 -0.049 0.000 0.953 38 V HN -0.073 nan 8.190 nan 0.000 0.483 39 R N 5.689 126.141 120.500 -0.080 0.000 2.370 39 R HA 0.447 4.785 4.340 -0.004 0.000 0.309 39 R C -0.116 176.166 176.300 -0.030 0.000 1.059 39 R CA -0.046 56.003 56.100 -0.085 0.000 0.981 39 R CB 0.507 30.624 30.300 -0.306 0.000 0.972 39 R HN 0.656 nan 8.270 nan 0.000 0.437 40 R N 0.852 121.375 120.500 0.039 0.000 2.855 40 R HA 0.142 4.480 4.340 -0.004 0.000 0.266 40 R C -1.155 175.193 176.300 0.079 0.000 1.034 40 R CA -1.139 54.986 56.100 0.041 0.000 0.944 40 R CB 1.277 31.596 30.300 0.031 0.000 1.219 40 R HN 0.445 nan 8.270 nan 0.000 0.474 41 D N 1.963 122.397 120.400 0.057 0.000 2.371 41 D HA 0.085 4.723 4.640 -0.004 0.000 0.256 41 D C -1.597 174.740 176.300 0.061 0.000 1.193 41 D CA -1.880 52.158 54.000 0.062 0.000 0.881 41 D CB 1.244 42.063 40.800 0.030 0.000 1.143 41 D HN 0.118 nan 8.370 nan 0.000 0.473 42 P HA 0.066 nan 4.420 nan 0.000 0.227 42 P C 0.483 177.841 177.300 0.096 0.000 1.161 42 P CA 1.066 64.229 63.100 0.105 0.000 0.788 42 P CB 0.035 31.832 31.700 0.162 0.000 0.822 43 A N -0.279 122.590 122.820 0.083 0.000 5.483 43 A HA -0.332 3.986 4.320 -0.004 0.000 0.309 43 A C 2.002 179.647 177.584 0.101 0.000 1.898 43 A CA 1.838 53.916 52.037 0.069 0.000 0.716 43 A CB -2.357 16.659 19.000 0.027 0.000 1.309 43 A HN 0.153 nan 8.150 nan 0.000 0.380 44 S N -0.162 115.594 115.700 0.093 0.000 2.469 44 S HA -0.026 4.441 4.470 -0.004 0.000 0.238 44 S C 1.711 176.382 174.600 0.117 0.000 0.998 44 S CA 1.409 59.672 58.200 0.104 0.000 0.957 44 S CB -0.666 62.593 63.200 0.099 0.000 0.764 44 S HN 0.511 nan 8.310 nan 0.000 0.514 45 L N 0.787 122.084 121.223 0.124 0.000 2.261 45 L HA -0.144 4.193 4.340 -0.004 0.000 0.216 45 L C 2.458 179.416 176.870 0.146 0.000 1.114 45 L CA 1.069 55.989 54.840 0.133 0.000 0.777 45 L CB -1.422 40.717 42.059 0.132 0.000 0.910 45 L HN 0.305 nan 8.230 nan 0.000 0.440 46 T N -0.117 114.536 114.554 0.165 0.000 2.737 46 T HA -0.222 4.126 4.350 -0.004 0.000 0.269 46 T C 1.857 176.538 174.700 -0.031 0.000 1.040 46 T CA 1.382 63.556 62.100 0.123 0.000 1.142 46 T CB -0.116 68.850 68.868 0.163 0.000 0.861 46 T HN 0.354 nan 8.240 nan 0.000 0.456 47 K N 0.410 120.839 120.400 0.049 0.000 2.360 47 K HA 0.062 4.380 4.320 -0.004 0.000 0.201 47 K C 2.212 178.869 176.600 0.096 0.000 1.046 47 K CA 0.847 57.169 56.287 0.058 0.000 0.945 47 K CB -0.180 32.367 32.500 0.079 0.000 0.750 47 K HN 0.405 nan 8.250 nan 0.000 0.464 48 M N -0.215 119.447 119.600 0.104 0.000 2.117 48 M HA -0.167 4.311 4.480 -0.004 0.000 0.262 48 M C 2.297 178.654 176.300 0.096 0.000 1.065 48 M CA 1.381 56.759 55.300 0.130 0.000 1.114 48 M CB -0.152 32.502 32.600 0.089 0.000 1.361 48 M HN 0.152 nan 8.290 nan 0.000 0.408 49 M N -0.016 119.573 119.600 -0.018 0.000 2.254 49 M HA -0.075 4.403 4.480 -0.004 0.000 0.265 49 M C 1.882 178.204 176.300 0.037 0.000 1.066 49 M CA 1.783 57.040 55.300 -0.072 0.000 1.123 49 M CB -0.565 31.798 32.600 -0.395 0.000 1.388 49 M HN 0.069 nan 8.290 nan 0.000 0.425 50 T N -0.565 114.023 114.554 0.057 0.000 2.684 50 T HA -0.149 4.199 4.350 -0.004 0.000 0.267 50 T C 1.970 176.852 174.700 0.302 0.000 1.036 50 T CA 1.894 64.161 62.100 0.279 0.000 1.148 50 T CB -0.556 68.385 68.868 0.122 0.000 0.863 50 T HN 0.569 nan 8.240 nan 0.000 0.436 51 S N -0.113 115.713 115.700 0.209 0.000 2.368 51 S HA -0.149 4.318 4.470 -0.004 0.000 0.225 51 S C 1.850 176.568 174.600 0.197 0.000 1.030 51 S CA 1.142 59.470 58.200 0.213 0.000 0.999 51 S CB -0.586 62.789 63.200 0.293 0.000 0.844 51 S HN 0.605 nan 8.310 nan 0.000 0.459 52 Y N 1.881 122.207 120.300 0.043 0.000 2.128 52 Y HA -0.163 4.384 4.550 -0.004 0.000 0.284 52 Y C 2.235 178.042 175.900 -0.154 0.000 1.154 52 Y CA 2.090 60.144 58.100 -0.076 0.000 1.149 52 Y CB -0.532 37.841 38.460 -0.145 0.000 0.976 52 Y HN 0.140 nan 8.280 nan 0.000 0.505 53 V N 0.581 120.474 119.914 -0.035 0.000 2.255 53 V HA -0.362 3.756 4.120 -0.004 0.000 0.247 53 V C 2.334 178.419 176.094 -0.015 0.000 1.051 53 V CA 2.290 64.522 62.300 -0.113 0.000 1.018 53 V CB -0.774 30.881 31.823 -0.280 0.000 0.641 53 V HN 0.461 nan 8.190 nan 0.000 0.445 54 I N 0.820 121.498 120.570 0.180 0.000 2.208 54 I HA -0.220 3.947 4.170 -0.004 0.000 0.245 54 I C 2.578 178.730 176.117 0.058 0.000 1.097 54 I CA 1.850 63.309 61.300 0.266 0.000 1.363 54 I CB -0.887 37.302 38.000 0.315 0.000 1.051 54 I HN 0.419 nan 8.210 nan 0.000 0.413 55 G N -0.347 108.433 108.800 -0.034 0.000 2.418 55 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.217 55 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.217 55 G C 1.579 176.344 174.900 -0.224 0.000 1.158 55 G CA 0.308 45.337 45.100 -0.118 0.000 0.771 55 G HN 0.295 nan 8.290 nan 0.000 0.545 56 Q N 0.380 119.980 119.800 -0.334 0.000 2.119 56 Q HA -0.009 4.329 4.340 -0.004 0.000 0.201 56 Q C 2.984 178.867 176.000 -0.194 0.000 0.972 56 Q CA 1.313 56.927 55.803 -0.315 0.000 0.847 56 Q CB -0.475 28.018 28.738 -0.409 0.000 0.903 56 Q HN 0.466 nan 8.270 nan 0.000 0.433 57 A N 0.740 123.455 122.820 -0.177 0.000 1.898 57 A HA -0.148 4.170 4.320 -0.004 0.000 0.216 57 A C 2.170 179.482 177.584 -0.453 0.000 1.181 57 A CA 1.373 53.269 52.037 -0.235 0.000 0.620 57 A CB -0.451 18.470 19.000 -0.132 0.000 0.819 57 A HN 0.284 nan 8.150 nan 0.000 0.442 58 M N -0.925 118.371 119.600 -0.506 0.000 2.132 58 M HA -0.127 4.351 4.480 -0.004 0.000 0.263 58 M C 2.263 178.407 176.300 -0.261 0.000 1.065 58 M CA 1.960 56.969 55.300 -0.485 0.000 1.122 58 M CB -0.370 32.030 32.600 -0.334 0.000 1.365 58 M HN 0.458 nan 8.290 nan 0.000 0.411 59 K N 0.933 121.215 120.400 -0.196 0.000 2.103 59 K HA -0.138 4.179 4.320 -0.004 0.000 0.207 59 K C 1.580 178.110 176.600 -0.117 0.000 1.048 59 K CA 1.591 57.798 56.287 -0.132 0.000 0.930 59 K CB -0.063 32.361 32.500 -0.126 0.000 0.716 59 K HN 0.306 nan 8.250 nan 0.000 0.444 60 A N -0.029 122.709 122.820 -0.135 0.000 2.278 60 A HA 0.238 4.556 4.320 -0.004 0.000 0.212 60 A C 1.090 178.613 177.584 -0.102 0.000 1.213 60 A CA 0.589 52.567 52.037 -0.098 0.000 0.840 60 A CB -0.373 18.578 19.000 -0.081 0.000 0.866 60 A HN 0.537 nan 8.150 nan 0.000 0.489 61 G N -0.058 108.659 108.800 -0.138 0.000 2.198 61 G HA2 -0.287 3.670 3.960 -0.004 0.000 0.257 61 G HA3 -0.287 3.670 3.960 -0.004 0.000 0.257 61 G C 0.753 175.587 174.900 -0.110 0.000 1.042 61 G CA 0.736 45.769 45.100 -0.113 0.000 0.791 61 G HN 0.564 nan 8.290 nan 0.000 0.502 62 K N -1.193 119.086 120.400 -0.202 0.000 2.228 62 K HA 0.315 4.632 4.320 -0.004 0.000 0.202 62 K C 0.756 177.394 176.600 0.064 0.000 1.051 62 K CA 1.384 57.613 56.287 -0.097 0.000 0.960 62 K CB 0.098 32.542 32.500 -0.093 0.000 0.743 62 K HN 0.850 nan 8.250 nan 0.000 0.458 63 F N -1.226 118.752 119.950 0.046 0.000 2.741 63 F HA 0.450 4.974 4.527 -0.004 0.000 0.311 63 F C -1.447 174.416 175.800 0.106 0.000 1.149 63 F CA -1.645 56.424 58.000 0.115 0.000 0.930 63 F CB 1.044 40.202 39.000 0.262 0.000 1.312 63 F HN -0.419 nan 8.300 nan 0.000 0.450 64 K N 0.572 121.171 120.400 0.331 0.000 2.238 64 K HA 0.310 4.627 4.320 -0.004 0.000 0.239 64 K C 0.587 177.323 176.600 0.227 0.000 0.987 64 K CA -0.558 55.841 56.287 0.188 0.000 0.857 64 K CB 2.232 34.804 32.500 0.120 0.000 1.154 64 K HN 0.871 nan 8.250 nan 0.000 0.439 65 E N 0.530 120.807 120.200 0.129 0.000 2.153 65 E HA -0.177 4.171 4.350 -0.004 0.000 0.194 65 E C 0.824 177.462 176.600 0.063 0.000 0.988 65 E CA 1.815 58.271 56.400 0.094 0.000 0.811 65 E CB -0.029 29.701 29.700 0.049 0.000 0.746 65 E HN 0.699 nan 8.360 nan 0.000 0.466 66 T N -1.050 113.541 114.554 0.063 0.000 3.113 66 T HA 0.017 4.365 4.350 -0.004 0.000 0.256 66 T C 0.288 175.012 174.700 0.040 0.000 1.131 66 T CA -0.055 62.071 62.100 0.042 0.000 1.074 66 T CB -0.137 68.755 68.868 0.041 0.000 0.944 66 T HN -0.020 nan 8.240 nan 0.000 0.516 67 D N 1.916 122.359 120.400 0.071 0.000 2.443 67 D HA 0.285 4.923 4.640 -0.004 0.000 0.239 67 D C -0.250 176.010 176.300 -0.068 0.000 1.136 67 D CA -0.132 53.903 54.000 0.060 0.000 0.879 67 D CB 0.653 41.566 40.800 0.189 0.000 1.195 67 D HN 0.180 nan 8.370 nan 0.000 0.443 68 L N 1.797 122.976 121.223 -0.073 0.000 2.292 68 L HA 0.289 4.627 4.340 -0.004 0.000 0.284 68 L C -0.001 176.710 176.870 -0.266 0.000 1.065 68 L CA -0.584 54.178 54.840 -0.130 0.000 0.806 68 L CB 1.427 43.456 42.059 -0.051 0.000 1.175 68 L HN 0.056 nan 8.230 nan 0.000 0.431 69 V N 1.728 121.424 119.914 -0.364 0.000 2.417 69 V HA 0.401 4.519 4.120 -0.004 0.000 0.291 69 V C 0.161 176.135 176.094 -0.198 0.000 1.024 69 V CA -0.636 61.377 62.300 -0.479 0.000 0.861 69 V CB 1.687 33.100 31.823 -0.683 0.000 0.985 69 V HN 0.765 nan 8.190 nan 0.000 0.436 70 T N 6.442 120.938 114.554 -0.096 0.000 2.749 70 T HA 0.408 4.756 4.350 -0.004 0.000 0.295 70 T C 0.155 174.841 174.700 -0.024 0.000 0.936 70 T CA -0.256 61.822 62.100 -0.037 0.000 1.060 70 T CB 0.259 69.126 68.868 -0.001 0.000 0.904 70 T HN 0.285 nan 8.240 nan 0.000 0.500 71 I N 3.764 124.321 120.570 -0.021 0.000 2.533 71 I HA 0.254 4.421 4.170 -0.004 0.000 0.284 71 I C 1.222 177.349 176.117 0.018 0.000 1.109 71 I CA -0.081 61.218 61.300 -0.000 0.000 1.412 71 I CB -0.060 37.947 38.000 0.011 0.000 1.396 71 I HN 0.655 nan 8.210 nan 0.000 0.543 72 G N 4.115 112.942 108.800 0.044 0.000 2.511 72 G HA2 0.166 4.123 3.960 -0.004 0.000 0.316 72 G HA3 0.166 4.123 3.960 -0.004 0.000 0.316 72 G C 0.703 175.672 174.900 0.114 0.000 1.210 72 G CA -0.485 44.651 45.100 0.061 0.000 0.969 72 G HN 0.633 nan 8.290 nan 0.000 0.492 73 N N -0.448 118.331 118.700 0.132 0.000 2.149 73 N HA -0.138 4.600 4.740 -0.004 0.000 0.188 73 N C 1.423 177.107 175.510 0.291 0.000 1.019 73 N CA 1.733 54.926 53.050 0.238 0.000 0.857 73 N CB 0.125 38.735 38.487 0.205 0.000 0.997 73 N HN 0.429 nan 8.380 nan 0.000 0.426 74 D N -0.792 119.725 120.400 0.195 0.000 2.269 74 D HA 0.021 4.658 4.640 -0.004 0.000 0.208 74 D C 1.027 177.486 176.300 0.265 0.000 0.963 74 D CA 0.693 54.803 54.000 0.183 0.000 0.864 74 D CB -0.135 40.734 40.800 0.115 0.000 0.936 74 D HN 0.403 nan 8.370 nan 0.000 0.505 75 A N -0.014 122.950 122.820 0.239 0.000 2.308 75 A HA 0.022 4.339 4.320 -0.004 0.000 0.217 75 A C 0.295 178.021 177.584 0.237 0.000 1.216 75 A CA -0.509 51.651 52.037 0.204 0.000 0.864 75 A CB -0.518 18.534 19.000 0.086 0.000 0.902 75 A HN 0.189 nan 8.150 nan 0.000 0.499 76 W N 1.395 122.762 121.300 0.111 0.000 2.659 76 W HA 0.418 5.076 4.660 -0.004 0.000 0.342 76 W C 0.923 177.520 176.519 0.130 0.000 1.287 76 W CA -1.085 56.313 57.345 0.089 0.000 1.460 76 W CB -0.331 29.183 29.460 0.090 0.000 1.503 76 W HN 0.286 nan 8.180 nan 0.000 0.483 77 A N 4.017 126.931 122.820 0.157 0.000 1.892 77 A HA -0.266 4.051 4.320 -0.004 0.000 0.218 77 A C 1.976 179.505 177.584 -0.092 0.000 1.188 77 A CA 2.720 54.661 52.037 -0.160 0.000 0.631 77 A CB -1.012 17.734 19.000 -0.424 0.000 0.822 77 A HN 0.712 nan 8.150 nan 0.000 0.447 78 T N -3.796 110.649 114.554 -0.183 0.000 3.163 78 T HA 0.376 4.724 4.350 -0.004 0.000 0.252 78 T C 1.226 175.436 174.700 -0.816 0.000 1.056 78 T CA 0.764 62.718 62.100 -0.244 0.000 0.947 78 T CB 0.397 69.324 68.868 0.099 0.000 1.016 78 T HN 0.386 nan 8.240 nan 0.000 0.554 79 G N 0.964 108.802 108.800 -1.603 0.000 2.887 79 G HA2 0.187 4.144 3.960 -0.004 0.000 0.211 79 G HA3 0.187 4.144 3.960 -0.004 0.000 0.211 79 G C 0.311 174.783 174.900 -0.714 0.000 1.152 79 G CA -0.599 43.338 45.100 -1.938 0.000 0.769 79 G HN 0.578 nan 8.290 nan 0.000 0.541 80 N N -0.020 118.439 118.700 -0.401 0.000 2.648 80 N HA 0.327 5.065 4.740 -0.004 0.000 0.261 80 N C -2.119 173.214 175.510 -0.296 0.000 1.138 80 N CA -1.550 51.307 53.050 -0.321 0.000 0.804 80 N CB 2.127 40.373 38.487 -0.401 0.000 1.237 80 N HN -0.254 nan 8.380 nan 0.000 0.532 81 P HA -0.188 nan 4.420 nan 0.000 0.223 81 P C 1.315 178.501 177.300 -0.191 0.000 1.140 81 P CA 0.574 63.581 63.100 -0.155 0.000 0.783 81 P CB 0.292 31.918 31.700 -0.124 0.000 0.759 82 V N -1.714 117.998 119.914 -0.336 0.000 2.720 82 V HA -0.198 3.920 4.120 -0.004 0.000 0.256 82 V C 1.579 177.469 176.094 -0.340 0.000 1.082 82 V CA 1.566 63.647 62.300 -0.366 0.000 1.101 82 V CB -1.119 30.412 31.823 -0.488 0.000 0.693 82 V HN 0.055 nan 8.190 nan 0.000 0.479 83 F N 0.061 119.915 119.950 -0.161 0.000 2.780 83 F HA 0.194 4.718 4.527 -0.004 0.000 0.299 83 F C 1.402 177.116 175.800 -0.144 0.000 1.146 83 F CA 0.010 57.901 58.000 -0.183 0.000 1.428 83 F CB 0.001 38.877 39.000 -0.207 0.000 1.115 83 F HN 0.011 nan 8.300 nan 0.000 0.583 84 K N 0.892 121.313 120.400 0.035 0.000 2.530 84 K HA 0.045 4.363 4.320 -0.004 0.000 0.280 84 K C 1.284 177.896 176.600 0.020 0.000 1.004 84 K CA 1.012 57.310 56.287 0.018 0.000 1.071 84 K CB 0.139 32.635 32.500 -0.008 0.000 0.876 84 K HN 0.379 nan 8.250 nan 0.000 0.487 85 G N 2.235 111.054 108.800 0.031 0.000 2.189 85 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.267 85 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.267 85 G C 0.025 174.945 174.900 0.033 0.000 0.975 85 G CA 0.711 45.832 45.100 0.034 0.000 0.644 85 G HN 0.901 nan 8.290 nan 0.000 0.537 86 S N -0.924 114.789 115.700 0.021 0.000 2.722 86 S HA 0.758 5.225 4.470 -0.004 0.000 0.292 86 S C 0.380 174.969 174.600 -0.019 0.000 1.135 86 S CA 0.521 58.726 58.200 0.009 0.000 1.003 86 S CB 1.910 65.116 63.200 0.009 0.000 1.067 86 S HN 1.364 nan 8.310 nan 0.000 0.546 87 S N 0.333 116.022 115.700 -0.017 0.000 2.531 87 S HA 0.521 4.989 4.470 -0.004 0.000 0.279 87 S C -0.704 173.817 174.600 -0.132 0.000 1.305 87 S CA -0.521 57.665 58.200 -0.024 0.000 1.058 87 S CB -1.097 62.110 63.200 0.012 0.000 0.899 87 S HN 0.574 nan 8.310 nan 0.000 0.493 88 L N 4.740 125.863 121.223 -0.167 0.000 2.466 88 L HA 0.385 4.723 4.340 -0.004 0.000 0.258 88 L C 0.629 177.403 176.870 -0.160 0.000 0.973 88 L CA -0.601 54.021 54.840 -0.364 0.000 0.826 88 L CB 1.884 43.457 42.059 -0.811 0.000 1.372 88 L HN 0.642 nan 8.230 nan 0.000 0.409 89 M N 1.156 120.670 119.600 -0.144 0.000 2.541 89 M HA 0.182 4.660 4.480 -0.004 0.000 0.252 89 M C -0.362 176.152 176.300 0.356 0.000 1.125 89 M CA 0.605 55.949 55.300 0.073 0.000 1.091 89 M CB 0.151 32.633 32.600 -0.197 0.000 1.420 89 M HN 0.530 nan 8.290 nan 0.000 0.486 90 F N -0.272 119.710 119.950 0.053 0.000 3.030 90 F HA -0.194 4.331 4.527 -0.004 0.000 0.309 90 F C -0.343 175.562 175.800 0.174 0.000 0.941 90 F CA -0.463 57.603 58.000 0.110 0.000 1.082 90 F CB -2.058 37.011 39.000 0.115 0.000 1.113 90 F HN -0.010 nan 8.300 nan 0.000 0.716 91 L N 1.148 122.479 121.223 0.180 0.000 2.461 91 L HA 0.288 4.626 4.340 -0.004 0.000 0.272 91 L C 0.558 177.556 176.870 0.213 0.000 1.197 91 L CA 0.154 55.103 54.840 0.181 0.000 0.836 91 L CB 0.534 42.622 42.059 0.048 0.000 1.105 91 L HN 0.142 nan 8.230 nan 0.000 0.477 92 K N 3.255 123.736 120.400 0.136 0.000 2.426 92 K HA 0.506 4.824 4.320 -0.004 0.000 0.251 92 K C -2.527 174.025 176.600 -0.081 0.000 0.941 92 K CA -1.885 54.401 56.287 -0.002 0.000 0.808 92 K CB 1.567 34.035 32.500 -0.053 0.000 1.265 92 K HN 0.252 nan 8.250 nan 0.000 0.432 93 P HA -0.046 nan 4.420 nan 0.000 0.265 93 P C 0.603 177.833 177.300 -0.117 0.000 1.193 93 P CA 0.974 63.987 63.100 -0.144 0.000 0.765 93 P CB 0.485 32.042 31.700 -0.237 0.000 0.823 94 G N 1.865 110.629 108.800 -0.061 0.000 2.241 94 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.244 94 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.244 94 G C 0.301 175.181 174.900 -0.032 0.000 0.998 94 G CA -0.279 44.792 45.100 -0.049 0.000 0.621 94 G HN 0.451 nan 8.290 nan 0.000 0.519 95 M N 0.801 120.388 119.600 -0.021 0.000 2.252 95 M HA 0.268 4.746 4.480 -0.004 0.000 0.333 95 M C 0.522 176.822 176.300 0.001 0.000 1.111 95 M CA 0.939 56.242 55.300 0.007 0.000 1.140 95 M CB 0.425 33.058 32.600 0.055 0.000 1.538 95 M HN 0.256 nan 8.290 nan 0.000 0.448 96 Q N 2.389 122.192 119.800 0.005 0.000 2.363 96 Q HA 0.509 4.847 4.340 -0.004 0.000 0.265 96 Q C -1.481 174.519 176.000 0.001 0.000 1.032 96 Q CA -0.528 55.266 55.803 -0.015 0.000 0.746 96 Q CB 1.984 30.712 28.738 -0.016 0.000 1.237 96 Q HN 0.457 nan 8.270 nan 0.000 0.475 97 V N 3.624 123.522 119.914 -0.027 0.000 2.604 97 V HA 0.434 4.552 4.120 -0.004 0.000 0.305 97 V C -2.335 173.712 176.094 -0.077 0.000 1.043 97 V CA -2.381 59.924 62.300 0.008 0.000 0.888 97 V CB 1.843 33.687 31.823 0.035 0.000 0.995 97 V HN 0.599 nan 8.190 nan 0.000 0.429 98 P HA 0.130 nan 4.420 nan 0.000 0.269 98 P C 1.040 178.274 177.300 -0.110 0.000 1.209 98 P CA 0.010 63.071 63.100 -0.065 0.000 0.776 98 P CB 0.777 32.477 31.700 -0.001 0.000 0.876 99 V N 2.005 121.835 119.914 -0.141 0.000 2.453 99 V HA -0.279 3.838 4.120 -0.004 0.000 0.252 99 V C 2.323 178.378 176.094 -0.065 0.000 1.068 99 V CA 2.744 64.966 62.300 -0.129 0.000 1.070 99 V CB -1.486 30.334 31.823 -0.005 0.000 0.664 99 V HN 0.733 nan 8.190 nan 0.000 0.461 100 S N -0.100 115.582 115.700 -0.030 0.000 2.370 100 S HA -0.300 4.168 4.470 -0.004 0.000 0.226 100 S C 1.866 176.427 174.600 -0.064 0.000 1.033 100 S CA 1.634 59.816 58.200 -0.030 0.000 1.011 100 S CB -0.449 62.753 63.200 0.004 0.000 0.852 100 S HN 0.718 nan 8.310 nan 0.000 0.457 101 Q N 0.874 120.660 119.800 -0.023 0.000 2.083 101 Q HA 0.138 4.476 4.340 -0.004 0.000 0.198 101 Q C 2.451 178.351 176.000 -0.167 0.000 0.969 101 Q CA 1.090 56.903 55.803 0.018 0.000 0.838 101 Q CB -0.413 28.422 28.738 0.161 0.000 0.900 101 Q HN 0.545 nan 8.270 nan 0.000 0.436 102 L N 1.027 122.138 121.223 -0.187 0.000 2.017 102 L HA -0.181 4.156 4.340 -0.004 0.000 0.208 102 L C 2.562 179.285 176.870 -0.246 0.000 1.073 102 L CA 1.181 55.880 54.840 -0.235 0.000 0.745 102 L CB -0.694 41.236 42.059 -0.214 0.000 0.894 102 L HN 0.314 nan 8.230 nan 0.000 0.432 103 I N -2.852 117.595 120.570 -0.206 0.000 2.676 103 I HA -0.184 3.984 4.170 -0.004 0.000 0.259 103 I C 2.486 178.396 176.117 -0.345 0.000 1.194 103 I CA 1.062 62.240 61.300 -0.203 0.000 1.473 103 I CB -0.335 37.603 38.000 -0.103 0.000 1.096 103 I HN 0.115 nan 8.210 nan 0.000 0.443 104 R N 1.496 121.698 120.500 -0.496 0.000 2.093 104 R HA 0.087 4.424 4.340 -0.004 0.000 0.224 104 R C 2.518 178.238 176.300 -0.966 0.000 1.101 104 R CA 1.126 56.744 56.100 -0.804 0.000 0.979 104 R CB -0.489 29.183 30.300 -1.048 0.000 0.877 104 R HN 0.546 nan 8.270 nan 0.000 0.441 105 G N 1.319 109.635 108.800 -0.808 0.000 2.446 105 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.217 105 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.217 105 G C 1.404 176.148 174.900 -0.259 0.000 1.168 105 G CA 0.789 45.653 45.100 -0.393 0.000 0.771 105 G HN 0.150 nan 8.290 nan 0.000 0.551 106 I N 0.901 121.318 120.570 -0.255 0.000 2.163 106 I HA -0.148 4.020 4.170 -0.004 0.000 0.240 106 I C 2.559 178.574 176.117 -0.170 0.000 1.081 106 I CA 1.079 62.280 61.300 -0.166 0.000 1.353 106 I CB -0.261 37.662 38.000 -0.127 0.000 1.054 106 I HN 0.072 nan 8.210 nan 0.000 0.407 107 N N 0.726 119.245 118.700 -0.302 0.000 2.109 107 N HA -0.084 4.653 4.740 -0.004 0.000 0.188 107 N C 1.779 177.108 175.510 -0.302 0.000 1.034 107 N CA 1.238 54.025 53.050 -0.437 0.000 0.846 107 N CB -0.439 37.516 38.487 -0.887 0.000 1.010 107 N HN 0.132 nan 8.380 nan 0.000 0.425 108 L N 0.790 121.837 121.223 -0.294 0.000 2.095 108 L HA 0.022 4.359 4.340 -0.004 0.000 0.204 108 L C 2.220 179.091 176.870 0.002 0.000 1.080 108 L CA 1.452 56.219 54.840 -0.122 0.000 0.759 108 L CB -0.475 41.511 42.059 -0.122 0.000 0.914 108 L HN 0.239 nan 8.230 nan 0.000 0.439 109 Q N -1.405 118.384 119.800 -0.019 0.000 2.317 109 Q HA 0.060 4.397 4.340 -0.004 0.000 0.220 109 Q C 0.281 176.303 176.000 0.038 0.000 0.873 109 Q CA 0.437 56.282 55.803 0.069 0.000 0.936 109 Q CB 0.684 29.517 28.738 0.158 0.000 1.105 109 Q HN 0.318 nan 8.270 nan 0.000 0.520 110 S N 0.206 115.905 115.700 -0.001 0.000 3.682 110 S HA -0.169 4.299 4.470 -0.004 0.000 0.354 110 S C 0.213 174.806 174.600 -0.012 0.000 1.034 110 S CA 0.348 58.554 58.200 0.011 0.000 1.084 110 S CB -1.686 61.546 63.200 0.053 0.000 0.903 110 S HN 0.678 nan 8.310 nan 0.000 0.470 111 G N 1.099 109.869 108.800 -0.050 0.000 2.334 111 G HA2 0.241 4.199 3.960 -0.004 0.000 0.261 111 G HA3 0.241 4.199 3.960 -0.004 0.000 0.261 111 G C 0.807 175.629 174.900 -0.129 0.000 1.257 111 G CA -0.400 44.641 45.100 -0.099 0.000 0.935 111 G HN 0.478 nan 8.290 nan 0.000 0.480 112 N N 2.145 120.740 118.700 -0.174 0.000 2.216 112 N HA -0.119 4.619 4.740 -0.004 0.000 0.183 112 N C 1.763 177.140 175.510 -0.222 0.000 1.017 112 N CA 1.448 54.425 53.050 -0.122 0.000 0.861 112 N CB 0.115 38.549 38.487 -0.088 0.000 0.986 112 N HN 0.726 nan 8.380 nan 0.000 0.428 113 D N 1.151 121.196 120.400 -0.591 0.000 2.178 113 D HA -0.055 4.582 4.640 -0.004 0.000 0.202 113 D C 1.681 177.837 176.300 -0.241 0.000 0.974 113 D CA 0.831 54.482 54.000 -0.582 0.000 0.841 113 D CB -0.524 39.849 40.800 -0.712 0.000 0.953 113 D HN 0.130 nan 8.370 nan 0.000 0.478 114 A N 0.369 123.052 122.820 -0.228 0.000 1.969 114 A HA -0.102 4.215 4.320 -0.004 0.000 0.218 114 A C 2.462 179.955 177.584 -0.152 0.000 1.169 114 A CA 1.197 53.122 52.037 -0.187 0.000 0.635 114 A CB -1.004 17.873 19.000 -0.206 0.000 0.810 114 A HN 0.433 nan 8.150 nan 0.000 0.445 115 C N -1.288 117.941 119.300 -0.119 0.000 2.429 115 C HA -0.072 4.385 4.460 -0.004 0.000 0.277 115 C C 2.716 177.588 174.990 -0.197 0.000 1.262 115 C CA 1.100 60.032 59.018 -0.143 0.000 1.733 115 C CB -1.232 26.473 27.740 -0.058 0.000 2.010 115 C HN 0.468 nan 8.230 nan 0.000 0.483 116 V N 1.388 121.260 119.914 -0.070 0.000 2.358 116 V HA -0.191 3.926 4.120 -0.004 0.000 0.246 116 V C 2.711 178.761 176.094 -0.074 0.000 1.047 116 V CA 2.156 64.428 62.300 -0.047 0.000 1.035 116 V CB -1.292 30.613 31.823 0.137 0.000 0.658 116 V HN 0.596 nan 8.190 nan 0.000 0.452 117 A N -0.355 122.422 122.820 -0.071 0.000 1.883 117 A HA -0.223 4.095 4.320 -0.004 0.000 0.217 117 A C 2.217 179.751 177.584 -0.082 0.000 1.186 117 A CA 2.100 54.095 52.037 -0.069 0.000 0.624 117 A CB -0.465 18.476 19.000 -0.098 0.000 0.822 117 A HN 0.402 nan 8.150 nan 0.000 0.444 118 M N -0.544 118.977 119.600 -0.131 0.000 2.254 118 M HA -0.016 4.462 4.480 -0.004 0.000 0.265 118 M C 2.485 178.721 176.300 -0.106 0.000 1.066 118 M CA 1.293 56.537 55.300 -0.093 0.000 1.123 118 M CB -1.550 30.998 32.600 -0.088 0.000 1.388 118 M HN 0.493 nan 8.290 nan 0.000 0.425 119 A N 0.569 123.184 122.820 -0.341 0.000 1.883 119 A HA -0.193 4.124 4.320 -0.004 0.000 0.217 119 A C 1.948 179.507 177.584 -0.040 0.000 1.186 119 A CA 2.047 53.795 52.037 -0.482 0.000 0.624 119 A CB -0.698 17.898 19.000 -0.674 0.000 0.822 119 A HN 0.371 nan 8.150 nan 0.000 0.444 120 D N -1.321 119.066 120.400 -0.022 0.000 2.097 120 D HA -0.098 4.540 4.640 -0.004 0.000 0.197 120 D C 1.644 177.986 176.300 0.071 0.000 0.984 120 D CA 1.104 55.128 54.000 0.040 0.000 0.826 120 D CB -0.477 40.349 40.800 0.043 0.000 0.973 120 D HN 0.410 nan 8.370 nan 0.000 0.460 121 F N 1.621 121.512 119.950 -0.098 0.000 2.095 121 F HA -0.206 4.318 4.527 -0.004 0.000 0.298 121 F C 2.135 177.857 175.800 -0.129 0.000 1.104 121 F CA 1.791 59.698 58.000 -0.155 0.000 1.232 121 F CB -0.180 38.656 39.000 -0.273 0.000 0.987 121 F HN -0.054 nan 8.300 nan 0.000 0.475 122 A N -0.931 121.866 122.820 -0.040 0.000 2.021 122 A HA 0.399 4.717 4.320 -0.004 0.000 0.216 122 A C 1.890 179.550 177.584 0.126 0.000 1.163 122 A CA 1.125 53.208 52.037 0.077 0.000 0.676 122 A CB -0.836 18.424 19.000 0.434 0.000 0.818 122 A HN 0.465 nan 8.150 nan 0.000 0.453 123 A N -3.238 119.674 122.820 0.154 0.000 2.600 123 A HA 0.487 4.805 4.320 -0.004 0.000 0.252 123 A C 1.588 179.218 177.584 0.078 0.000 1.200 123 A CA 0.910 53.029 52.037 0.137 0.000 0.981 123 A CB -0.128 19.012 19.000 0.233 0.000 1.207 123 A HN 1.772 nan 8.150 nan 0.000 0.577 124 G N -0.135 108.693 108.800 0.048 0.000 2.383 124 G HA2 -0.157 3.801 3.960 -0.004 0.000 0.229 124 G HA3 -0.157 3.801 3.960 -0.004 0.000 0.229 124 G C 0.511 175.437 174.900 0.044 0.000 1.089 124 G CA 0.726 45.844 45.100 0.030 0.000 0.640 124 G HN 2.154 nan 8.290 nan 0.000 0.510 125 S N -1.347 114.393 115.700 0.066 0.000 2.596 125 S HA 0.649 5.117 4.470 -0.004 0.000 0.270 125 S C 0.439 175.085 174.600 0.077 0.000 1.155 125 S CA 0.407 58.642 58.200 0.057 0.000 0.827 125 S CB 1.556 64.784 63.200 0.046 0.000 1.130 125 S HN 0.255 nan 8.310 nan 0.000 0.467 126 Q N 0.254 120.079 119.800 0.041 0.000 2.079 126 Q HA -0.109 4.229 4.340 -0.004 0.000 0.200 126 Q C 0.749 176.795 176.000 0.076 0.000 0.974 126 Q CA 1.843 57.660 55.803 0.024 0.000 0.840 126 Q CB -0.260 28.458 28.738 -0.032 0.000 0.898 126 Q HN 0.696 nan 8.270 nan 0.000 0.430 127 D N 0.370 120.805 120.400 0.059 0.000 2.117 127 D HA -0.114 4.524 4.640 -0.004 0.000 0.197 127 D C 1.725 178.072 176.300 0.078 0.000 0.987 127 D CA 1.308 55.344 54.000 0.059 0.000 0.829 127 D CB -0.134 40.691 40.800 0.041 0.000 0.961 127 D HN 0.254 nan 8.370 nan 0.000 0.460 128 A N -0.062 122.810 122.820 0.085 0.000 1.930 128 A HA -0.127 4.190 4.320 -0.004 0.000 0.217 128 A C 2.104 179.749 177.584 0.100 0.000 1.175 128 A CA 0.767 52.849 52.037 0.074 0.000 0.627 128 A CB -0.905 18.135 19.000 0.066 0.000 0.815 128 A HN 0.268 nan 8.150 nan 0.000 0.443 129 F N 0.346 120.300 119.950 0.005 0.000 2.146 129 F HA -0.126 4.398 4.527 -0.004 0.000 0.298 129 F C 2.218 178.021 175.800 0.006 0.000 1.096 129 F CA 1.763 59.770 58.000 0.012 0.000 1.275 129 F CB -0.022 38.979 39.000 0.003 0.000 1.008 129 F HN 0.033 nan 8.300 nan 0.000 0.480 130 V N 0.364 120.422 119.914 0.240 0.000 2.407 130 V HA -0.265 3.853 4.120 -0.004 0.000 0.248 130 V C 2.734 178.858 176.094 0.049 0.000 1.055 130 V CA 1.908 64.287 62.300 0.132 0.000 1.049 130 V CB -1.586 30.291 31.823 0.089 0.000 0.662 130 V HN 0.567 nan 8.190 nan 0.000 0.455 131 G N -0.159 108.661 108.800 0.033 0.000 2.469 131 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.219 131 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.219 131 G C 1.565 176.437 174.900 -0.046 0.000 1.150 131 G CA 1.089 46.192 45.100 0.005 0.000 0.763 131 G HN 0.480 nan 8.290 nan 0.000 0.561 132 L N -0.423 120.735 121.223 -0.108 0.000 2.056 132 L HA -0.037 4.301 4.340 -0.004 0.000 0.207 132 L C 3.098 179.916 176.870 -0.086 0.000 1.078 132 L CA 0.965 55.698 54.840 -0.179 0.000 0.749 132 L CB -0.372 41.520 42.059 -0.278 0.000 0.901 132 L HN 0.247 nan 8.230 nan 0.000 0.433 133 M N -0.322 119.234 119.600 -0.073 0.000 2.080 133 M HA -0.216 4.262 4.480 -0.004 0.000 0.260 133 M C 1.960 178.379 176.300 0.198 0.000 1.068 133 M CA 1.746 57.082 55.300 0.059 0.000 1.109 133 M CB -0.510 32.060 32.600 -0.050 0.000 1.342 133 M HN 0.246 nan 8.290 nan 0.000 0.405 134 N N -0.137 118.655 118.700 0.154 0.000 2.309 134 N HA -0.057 4.681 4.740 -0.004 0.000 0.182 134 N C 1.732 177.284 175.510 0.071 0.000 1.018 134 N CA 1.077 54.216 53.050 0.148 0.000 0.876 134 N CB -0.261 38.298 38.487 0.120 0.000 0.972 134 N HN 0.243 nan 8.380 nan 0.000 0.434 135 S N -0.003 115.686 115.700 -0.019 0.000 2.402 135 S HA -0.035 4.432 4.470 -0.004 0.000 0.229 135 S C 1.614 176.135 174.600 -0.132 0.000 1.021 135 S CA 0.680 58.807 58.200 -0.122 0.000 0.974 135 S CB -0.200 62.850 63.200 -0.251 0.000 0.800 135 S HN 0.439 nan 8.310 nan 0.000 0.484 136 Y N 0.527 120.861 120.300 0.057 0.000 2.337 136 Y HA -0.014 4.533 4.550 -0.004 0.000 0.293 136 Y C 2.389 178.313 175.900 0.040 0.000 1.123 136 Y CA 0.233 58.379 58.100 0.076 0.000 1.201 136 Y CB -0.266 38.284 38.460 0.151 0.000 1.011 136 Y HN 0.028 nan 8.280 nan 0.000 0.545 137 V N 0.730 120.768 119.914 0.206 0.000 2.324 137 V HA -0.348 3.769 4.120 -0.004 0.000 0.250 137 V C 1.780 177.919 176.094 0.076 0.000 1.060 137 V CA 2.105 64.484 62.300 0.131 0.000 1.042 137 V CB -0.475 31.419 31.823 0.117 0.000 0.650 137 V HN 0.512 nan 8.190 nan 0.000 0.450 138 N N 0.331 119.069 118.700 0.062 0.000 2.171 138 N HA -0.054 4.684 4.740 -0.004 0.000 0.184 138 N C 1.864 177.398 175.510 0.039 0.000 1.021 138 N CA 1.555 54.627 53.050 0.035 0.000 0.854 138 N CB -0.500 37.996 38.487 0.015 0.000 0.994 138 N HN 0.481 nan 8.380 nan 0.000 0.426 139 A N 0.945 123.800 122.820 0.058 0.000 1.969 139 A HA 0.003 4.321 4.320 -0.004 0.000 0.218 139 A C 2.122 179.756 177.584 0.083 0.000 1.169 139 A CA 0.812 52.896 52.037 0.078 0.000 0.635 139 A CB -0.549 18.527 19.000 0.127 0.000 0.810 139 A HN 0.221 nan 8.150 nan 0.000 0.445 140 L N -1.060 120.211 121.223 0.080 0.000 2.599 140 L HA 0.164 4.502 4.340 -0.004 0.000 0.230 140 L C 1.592 178.471 176.870 0.015 0.000 1.141 140 L CA 0.454 55.313 54.840 0.032 0.000 0.877 140 L CB -0.312 41.736 42.059 -0.019 0.000 1.009 140 L HN 0.556 nan 8.230 nan 0.000 0.447 141 G N 1.034 109.848 108.800 0.022 0.000 2.198 141 G HA2 -0.282 3.675 3.960 -0.004 0.000 0.260 141 G HA3 -0.282 3.675 3.960 -0.004 0.000 0.260 141 G C 0.150 175.055 174.900 0.008 0.000 1.025 141 G CA -0.152 44.956 45.100 0.013 0.000 0.769 141 G HN 0.268 nan 8.290 nan 0.000 0.507 142 L N -0.664 120.565 121.223 0.011 0.000 2.367 142 L HA 0.329 4.667 4.340 -0.004 0.000 0.275 142 L C 1.602 178.482 176.870 0.016 0.000 1.129 142 L CA -0.263 54.581 54.840 0.008 0.000 0.839 142 L CB 0.754 42.816 42.059 0.005 0.000 1.133 142 L HN 0.089 nan 8.230 nan 0.000 0.453 143 K N 1.591 122.002 120.400 0.018 0.000 2.361 143 K HA 0.141 4.458 4.320 -0.004 0.000 0.194 143 K C 0.210 176.844 176.600 0.057 0.000 1.032 143 K CA 0.246 56.548 56.287 0.026 0.000 1.048 143 K CB 0.403 32.908 32.500 0.009 0.000 0.842 143 K HN 0.544 nan 8.250 nan 0.000 0.526 144 N N 1.295 120.039 118.700 0.074 0.000 2.497 144 N HA 0.101 4.838 4.740 -0.004 0.000 0.284 144 N C -1.130 174.535 175.510 0.259 0.000 1.459 144 N CA 0.139 53.281 53.050 0.153 0.000 0.899 144 N CB 1.682 40.205 38.487 0.059 0.000 1.316 144 N HN -0.089 nan 8.380 nan 0.000 0.500 145 T N -0.187 114.432 114.554 0.110 0.000 2.916 145 T HA 0.323 4.670 4.350 -0.004 0.000 0.298 145 T C -1.436 172.938 174.700 -0.545 0.000 1.031 145 T CA -0.364 61.589 62.100 -0.246 0.000 0.993 145 T CB 2.327 71.043 68.868 -0.254 0.000 1.045 145 T HN 0.275 nan 8.240 nan 0.000 0.454 146 H N 1.328 119.667 119.070 -1.219 0.000 3.029 146 H HA 0.601 5.155 4.556 -0.003 0.000 0.358 146 H C -1.952 172.817 175.328 -0.931 0.000 1.129 146 H CA -0.769 54.693 56.048 -0.977 0.000 1.230 146 H CB 0.748 29.951 29.762 -0.931 0.000 1.827 146 H HN 0.516 nan 8.280 nan 0.000 0.530 147 F N 2.832 122.328 119.950 -0.758 0.000 2.507 147 F HA 0.358 4.883 4.527 -0.003 0.000 0.327 147 F C 1.167 176.599 175.800 -0.612 0.000 1.068 147 F CA -0.313 57.384 58.000 -0.506 0.000 0.965 147 F CB 2.241 41.103 39.000 -0.230 0.000 1.192 147 F HN 0.604 nan 8.300 nan 0.000 0.476 148 Q N -0.249 119.502 119.800 -0.080 0.000 2.384 148 Q HA 0.139 4.476 4.340 -0.004 0.000 0.264 148 Q C -0.032 175.972 176.000 0.007 0.000 0.825 148 Q CA 0.216 55.992 55.803 -0.046 0.000 0.984 148 Q CB 1.473 30.215 28.738 0.006 0.000 1.183 148 Q HN 0.786 nan 8.270 nan 0.000 0.537 149 T N -2.182 112.383 114.554 0.019 0.000 2.924 149 T HA 0.339 4.686 4.350 -0.004 0.000 0.291 149 T C 0.927 175.537 174.700 -0.150 0.000 1.045 149 T CA -0.487 61.557 62.100 -0.093 0.000 1.015 149 T CB 1.909 70.725 68.868 -0.087 0.000 1.103 149 T HN -0.026 nan 8.240 nan 0.000 0.496 150 V N -0.024 119.691 119.914 -0.332 0.000 3.141 150 V HA 0.034 4.151 4.120 -0.004 0.000 0.265 150 V C 1.447 177.403 176.094 -0.231 0.000 1.126 150 V CA 1.809 63.944 62.300 -0.276 0.000 1.141 150 V CB -1.704 29.860 31.823 -0.432 0.000 0.743 150 V HN 1.078 nan 8.190 nan 0.000 0.492 151 H N -1.085 117.980 119.070 -0.008 0.000 3.017 151 H HA 0.597 5.150 4.556 -0.004 0.000 0.255 151 H C 1.693 177.045 175.328 0.039 0.000 0.990 151 H CA -0.145 55.911 56.048 0.013 0.000 1.205 151 H CB 0.158 29.951 29.762 0.051 0.000 1.460 151 H HN 0.546 nan 8.280 nan 0.000 0.478 152 G N 0.551 109.564 108.800 0.356 0.000 2.194 152 G HA2 -0.247 3.710 3.960 -0.004 0.000 0.236 152 G HA3 -0.247 3.710 3.960 -0.004 0.000 0.236 152 G C -0.020 175.014 174.900 0.223 0.000 0.987 152 G CA 0.143 45.393 45.100 0.251 0.000 0.635 152 G HN 0.344 nan 8.290 nan 0.000 0.520 153 L N 0.369 121.754 121.223 0.271 0.000 2.399 153 L HA 0.540 4.877 4.340 -0.004 0.000 0.266 153 L C 0.958 177.896 176.870 0.114 0.000 1.114 153 L CA 0.083 54.935 54.840 0.019 0.000 0.804 153 L CB 0.825 42.678 42.059 -0.343 0.000 1.146 153 L HN 0.154 nan 8.230 nan 0.000 0.451 154 D N 1.978 122.402 120.400 0.039 0.000 2.697 154 D HA -0.183 4.455 4.640 -0.004 0.000 0.238 154 D C -0.431 175.916 176.300 0.079 0.000 1.152 154 D CA 1.058 55.084 54.000 0.043 0.000 0.666 154 D CB -0.339 40.475 40.800 0.024 0.000 1.037 154 D HN 0.744 nan 8.370 nan 0.000 0.423 155 A N 1.026 123.893 122.820 0.080 0.000 3.266 155 A HA 0.377 4.695 4.320 -0.004 0.000 0.310 155 A C 0.935 178.566 177.584 0.077 0.000 1.066 155 A CA -0.448 51.639 52.037 0.083 0.000 0.839 155 A CB 0.751 19.814 19.000 0.105 0.000 1.192 155 A HN 0.044 nan 8.150 nan 0.000 0.496 156 D N 1.226 121.666 120.400 0.067 0.000 2.221 156 D HA -0.099 4.539 4.640 -0.004 0.000 0.204 156 D C 1.666 178.022 176.300 0.093 0.000 0.982 156 D CA 2.068 56.107 54.000 0.066 0.000 0.857 156 D CB 0.199 41.029 40.800 0.050 0.000 0.934 156 D HN 0.616 nan 8.370 nan 0.000 0.475 157 G N 0.312 109.181 108.800 0.114 0.000 3.337 157 G HA2 0.058 4.015 3.960 -0.004 0.000 0.246 157 G HA3 0.058 4.015 3.960 -0.004 0.000 0.246 157 G C 0.386 175.409 174.900 0.206 0.000 1.131 157 G CA -0.368 44.836 45.100 0.172 0.000 0.773 157 G HN 0.283 nan 8.290 nan 0.000 0.544 158 Q N 0.066 119.932 119.800 0.110 0.000 2.312 158 Q HA 0.624 4.961 4.340 -0.004 0.000 0.236 158 Q C -0.751 175.277 176.000 0.048 0.000 0.965 158 Q CA -0.822 54.964 55.803 -0.027 0.000 0.894 158 Q CB 0.968 29.714 28.738 0.013 0.000 1.225 158 Q HN 0.440 nan 8.270 nan 0.000 0.478 159 Y N -2.686 117.574 120.300 -0.067 0.000 2.662 159 Y HA 0.728 5.276 4.550 -0.004 0.000 0.334 159 Y C -1.159 174.654 175.900 -0.144 0.000 1.185 159 Y CA -0.915 57.146 58.100 -0.066 0.000 1.074 159 Y CB 1.149 39.587 38.460 -0.036 0.000 1.330 159 Y HN 0.858 nan 8.280 nan 0.000 0.458 160 S N 0.453 116.241 115.700 0.148 0.000 2.800 160 S HA 0.879 5.347 4.470 -0.004 0.000 0.293 160 S C -1.461 173.200 174.600 0.101 0.000 1.209 160 S CA -0.091 58.154 58.200 0.074 0.000 0.884 160 S CB 1.162 64.360 63.200 -0.003 0.000 1.244 160 S HN 1.583 nan 8.310 nan 0.000 0.540 161 S N -0.054 115.683 115.700 0.062 0.000 2.638 161 S HA 0.784 5.252 4.470 -0.004 0.000 0.274 161 S C 0.853 175.474 174.600 0.036 0.000 1.157 161 S CA -0.082 58.143 58.200 0.041 0.000 0.826 161 S CB 0.850 64.064 63.200 0.023 0.000 1.139 161 S HN 1.334 nan 8.310 nan 0.000 0.474 162 A N 1.268 124.103 122.820 0.026 0.000 1.883 162 A HA -0.067 4.250 4.320 -0.004 0.000 0.217 162 A C 2.179 179.777 177.584 0.024 0.000 1.186 162 A CA 1.747 53.805 52.037 0.034 0.000 0.624 162 A CB -0.939 18.081 19.000 0.033 0.000 0.822 162 A HN 0.876 nan 8.150 nan 0.000 0.444 163 R N -0.449 120.055 120.500 0.006 0.000 2.073 163 R HA -0.181 4.156 4.340 -0.004 0.000 0.234 163 R C 1.463 177.765 176.300 0.003 0.000 1.134 163 R CA 2.005 58.104 56.100 -0.001 0.000 0.952 163 R CB -0.395 29.896 30.300 -0.014 0.000 0.850 163 R HN 0.449 nan 8.270 nan 0.000 0.433 164 D N -0.042 120.364 120.400 0.010 0.000 2.144 164 D HA -0.151 4.487 4.640 -0.004 0.000 0.200 164 D C 1.884 178.195 176.300 0.018 0.000 0.978 164 D CA 1.027 55.033 54.000 0.010 0.000 0.833 164 D CB -0.049 40.759 40.800 0.014 0.000 0.961 164 D HN 0.183 nan 8.370 nan 0.000 0.470 165 M N 0.377 119.998 119.600 0.035 0.000 2.175 165 M HA -0.011 4.466 4.480 -0.004 0.000 0.264 165 M C 2.193 178.506 176.300 0.022 0.000 1.063 165 M CA 0.743 56.071 55.300 0.046 0.000 1.119 165 M CB -0.920 31.720 32.600 0.067 0.000 1.377 165 M HN -0.001 nan 8.290 nan 0.000 0.415 166 A N 0.109 122.940 122.820 0.018 0.000 1.902 166 A HA -0.130 4.187 4.320 -0.004 0.000 0.217 166 A C 2.254 179.831 177.584 -0.012 0.000 1.181 166 A CA 1.265 53.306 52.037 0.007 0.000 0.623 166 A CB -0.870 18.138 19.000 0.012 0.000 0.818 166 A HN 0.471 nan 8.150 nan 0.000 0.443 167 L N -0.654 120.557 121.223 -0.020 0.000 2.141 167 L HA -0.122 4.216 4.340 -0.004 0.000 0.209 167 L C 2.370 179.196 176.870 -0.073 0.000 1.094 167 L CA 0.886 55.702 54.840 -0.041 0.000 0.763 167 L CB -0.379 41.657 42.059 -0.038 0.000 0.908 167 L HN 0.379 nan 8.230 nan 0.000 0.437 168 I N -0.462 120.064 120.570 -0.073 0.000 2.315 168 I HA -0.178 3.989 4.170 -0.004 0.000 0.248 168 I C 2.611 178.658 176.117 -0.116 0.000 1.117 168 I CA 1.249 62.465 61.300 -0.139 0.000 1.404 168 I CB -0.778 37.179 38.000 -0.071 0.000 1.071 168 I HN 0.265 nan 8.210 nan 0.000 0.419 169 G N 0.150 108.910 108.800 -0.066 0.000 2.446 169 G HA2 -0.341 3.617 3.960 -0.004 0.000 0.217 169 G HA3 -0.341 3.617 3.960 -0.004 0.000 0.217 169 G C 1.549 176.391 174.900 -0.096 0.000 1.168 169 G CA 0.889 45.940 45.100 -0.082 0.000 0.771 169 G HN 0.431 nan 8.290 nan 0.000 0.551 170 Q N 0.225 120.006 119.800 -0.032 0.000 2.084 170 Q HA -0.017 4.321 4.340 -0.004 0.000 0.202 170 Q C 2.743 178.783 176.000 0.066 0.000 0.978 170 Q CA 1.662 57.509 55.803 0.073 0.000 0.844 170 Q CB -0.336 28.423 28.738 0.035 0.000 0.898 170 Q HN 0.405 nan 8.270 nan 0.000 0.426 171 A N 0.738 123.547 122.820 -0.019 0.000 1.930 171 A HA -0.125 4.193 4.320 -0.004 0.000 0.217 171 A C 2.062 179.759 177.584 0.189 0.000 1.175 171 A CA 1.008 53.061 52.037 0.027 0.000 0.627 171 A CB -0.657 18.222 19.000 -0.202 0.000 0.815 171 A HN 0.456 nan 8.150 nan 0.000 0.443 172 L N -0.486 120.810 121.223 0.120 0.000 1.989 172 L HA -0.228 4.110 4.340 -0.004 0.000 0.211 172 L C 2.517 179.399 176.870 0.020 0.000 1.071 172 L CA 1.663 56.611 54.840 0.180 0.000 0.749 172 L CB -0.464 41.652 42.059 0.095 0.000 0.890 172 L HN 0.403 nan 8.230 nan 0.000 0.431 173 I N -1.133 119.291 120.570 -0.242 0.000 2.226 173 I HA -0.299 3.869 4.170 -0.004 0.000 0.245 173 I C 2.843 178.917 176.117 -0.071 0.000 1.100 173 I CA 1.155 62.180 61.300 -0.460 0.000 1.374 173 I CB -0.379 37.103 38.000 -0.863 0.000 1.057 173 I HN 0.259 nan 8.210 nan 0.000 0.413 174 R N 0.875 121.456 120.500 0.135 0.000 2.057 174 R HA -0.142 4.195 4.340 -0.004 0.000 0.229 174 R C 1.665 178.023 176.300 0.098 0.000 1.136 174 R CA 1.851 58.060 56.100 0.183 0.000 0.952 174 R CB -0.093 30.289 30.300 0.137 0.000 0.848 174 R HN 0.300 nan 8.270 nan 0.000 0.430 175 D N -0.138 120.322 120.400 0.100 0.000 2.271 175 D HA -0.037 4.601 4.640 -0.004 0.000 0.206 175 D C 0.769 177.057 176.300 -0.021 0.000 0.967 175 D CA 0.835 54.864 54.000 0.049 0.000 0.867 175 D CB 0.552 41.404 40.800 0.087 0.000 0.960 175 D HN 0.229 nan 8.370 nan 0.000 0.509 176 V N -1.517 118.393 119.914 -0.006 0.000 2.502 176 V HA 0.274 4.392 4.120 -0.004 0.000 0.261 176 V C -2.164 173.966 176.094 0.059 0.000 0.996 176 V CA -1.204 61.078 62.300 -0.030 0.000 1.095 176 V CB 1.431 33.174 31.823 -0.133 0.000 1.325 176 V HN -0.211 nan 8.190 nan 0.000 0.574 177 P HA -0.118 nan 4.420 nan 0.000 0.218 177 P C 1.120 178.491 177.300 0.119 0.000 1.148 177 P CA 1.414 64.582 63.100 0.112 0.000 0.822 177 P CB 0.258 32.000 31.700 0.070 0.000 0.784 178 N N 0.180 118.918 118.700 0.062 0.000 2.244 178 N HA -0.152 4.585 4.740 -0.004 0.000 0.183 178 N C 1.860 177.402 175.510 0.053 0.000 1.016 178 N CA 1.087 54.162 53.050 0.042 0.000 0.866 178 N CB -0.591 37.902 38.487 0.010 0.000 0.980 178 N HN 0.273 nan 8.380 nan 0.000 0.430 179 E N 0.287 120.533 120.200 0.078 0.000 2.072 179 E HA -0.140 4.207 4.350 -0.004 0.000 0.190 179 E C 1.900 178.635 176.600 0.225 0.000 0.982 179 E CA 0.813 57.278 56.400 0.108 0.000 0.803 179 E CB -0.427 29.341 29.700 0.112 0.000 0.755 179 E HN 0.452 nan 8.360 nan 0.000 0.453 180 Y N 0.753 121.150 120.300 0.161 0.000 2.224 180 Y HA -0.215 4.333 4.550 -0.004 0.000 0.289 180 Y C 2.356 178.389 175.900 0.223 0.000 1.146 180 Y CA 1.871 60.099 58.100 0.213 0.000 1.182 180 Y CB -0.301 38.175 38.460 0.026 0.000 0.983 180 Y HN 0.239 nan 8.280 nan 0.000 0.524 181 S N -0.264 115.449 115.700 0.023 0.000 2.469 181 S HA -0.187 4.280 4.470 -0.004 0.000 0.238 181 S C 1.765 176.291 174.600 -0.125 0.000 0.998 181 S CA 1.396 59.552 58.200 -0.074 0.000 0.957 181 S CB -0.986 62.215 63.200 0.002 0.000 0.764 181 S HN 0.584 nan 8.310 nan 0.000 0.514 182 I N -0.060 120.444 120.570 -0.112 0.000 2.546 182 I HA -0.090 4.077 4.170 -0.004 0.000 0.255 182 I C 1.879 177.842 176.117 -0.257 0.000 1.163 182 I CA 1.005 62.191 61.300 -0.190 0.000 1.457 182 I CB -0.408 37.444 38.000 -0.245 0.000 1.092 182 I HN 0.243 nan 8.210 nan 0.000 0.434 183 Y N 1.633 121.742 120.300 -0.318 0.000 2.403 183 Y HA -0.232 4.315 4.550 -0.004 0.000 0.291 183 Y C 2.317 178.071 175.900 -0.243 0.000 1.143 183 Y CA 1.227 59.149 58.100 -0.296 0.000 1.257 183 Y CB -0.458 37.755 38.460 -0.411 0.000 0.984 183 Y HN 0.269 nan 8.280 nan 0.000 0.550 184 K N 0.465 120.785 120.400 -0.134 0.000 2.426 184 K HA 0.030 4.347 4.320 -0.004 0.000 0.193 184 K C -0.146 176.366 176.600 -0.147 0.000 1.028 184 K CA 0.217 56.425 56.287 -0.132 0.000 1.047 184 K CB -0.129 32.291 32.500 -0.134 0.000 0.821 184 K HN 0.198 nan 8.250 nan 0.000 0.513 185 E N 2.189 122.310 120.200 -0.132 0.000 2.328 185 E HA 0.012 4.360 4.350 -0.004 0.000 0.265 185 E C 0.043 176.584 176.600 -0.099 0.000 1.057 185 E CA -0.077 56.257 56.400 -0.110 0.000 0.916 185 E CB 0.905 30.552 29.700 -0.088 0.000 0.993 185 E HN 0.213 nan 8.360 nan 0.000 0.446 186 K N 2.795 123.108 120.400 -0.144 0.000 2.366 186 K HA -0.068 4.249 4.320 -0.004 0.000 0.198 186 K C 0.447 177.110 176.600 0.105 0.000 1.044 186 K CA 0.783 56.972 56.287 -0.164 0.000 0.973 186 K CB 0.066 32.297 32.500 -0.447 0.000 0.767 186 K HN 0.586 nan 8.250 nan 0.000 0.475 187 E N 0.154 120.422 120.200 0.114 0.000 2.390 187 E HA 0.364 4.711 4.350 -0.004 0.000 0.280 187 E C -1.128 175.628 176.600 0.259 0.000 0.992 187 E CA -1.078 55.443 56.400 0.201 0.000 0.790 187 E CB 1.276 31.072 29.700 0.161 0.000 1.248 187 E HN -0.060 nan 8.360 nan 0.000 0.447 188 F N -0.862 119.111 119.950 0.039 0.000 2.643 188 F HA 0.770 5.295 4.527 -0.004 0.000 0.314 188 F C -1.485 174.354 175.800 0.064 0.000 1.096 188 F CA -0.854 57.166 58.000 0.033 0.000 0.953 188 F CB 2.052 41.058 39.000 0.009 0.000 1.345 188 F HN 0.328 nan 8.300 nan 0.000 0.468 189 T N 3.063 117.453 114.554 -0.273 0.000 2.824 189 T HA 0.601 4.948 4.350 -0.004 0.000 0.282 189 T C -2.035 172.495 174.700 -0.283 0.000 0.993 189 T CA -0.225 61.676 62.100 -0.331 0.000 0.967 189 T CB 0.892 69.690 68.868 -0.117 0.000 0.960 189 T HN 0.587 nan 8.240 nan 0.000 0.441 190 F N 3.852 123.512 119.950 -0.485 0.000 2.561 190 F HA 0.477 5.002 4.527 -0.004 0.000 0.313 190 F C 0.370 176.080 175.800 -0.149 0.000 1.126 190 F CA -0.988 56.850 58.000 -0.270 0.000 0.918 190 F CB 1.244 40.089 39.000 -0.259 0.000 1.199 190 F HN 0.524 nan 8.300 nan 0.000 0.444 191 N N 4.027 122.182 118.700 -0.907 0.000 2.705 191 N HA -0.196 4.541 4.740 -0.004 0.000 0.255 191 N C 0.981 176.296 175.510 -0.325 0.000 1.008 191 N CA 1.491 54.141 53.050 -0.667 0.000 0.742 191 N CB -0.896 37.126 38.487 -0.774 0.000 0.906 191 N HN 1.457 nan 8.380 nan 0.000 0.541 192 G N -1.054 107.604 108.800 -0.237 0.000 2.186 192 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.266 192 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.266 192 G C 0.249 175.072 174.900 -0.128 0.000 0.982 192 G CA 0.684 45.693 45.100 -0.152 0.000 0.670 192 G HN 0.574 nan 8.290 nan 0.000 0.533 193 I N 0.245 120.731 120.570 -0.140 0.000 2.362 193 I HA 0.425 4.593 4.170 -0.004 0.000 0.289 193 I C 0.418 176.460 176.117 -0.125 0.000 0.994 193 I CA -1.222 60.016 61.300 -0.105 0.000 1.158 193 I CB 1.488 39.442 38.000 -0.078 0.000 1.315 193 I HN -0.127 nan 8.210 nan 0.000 0.451 194 R N 5.008 125.453 120.500 -0.092 0.000 2.389 194 R HA 0.255 4.593 4.340 -0.004 0.000 0.295 194 R C -0.530 175.729 176.300 -0.068 0.000 1.075 194 R CA -0.122 55.926 56.100 -0.088 0.000 1.005 194 R CB 0.336 30.618 30.300 -0.031 0.000 0.987 194 R HN 0.434 nan 8.270 nan 0.000 0.452 195 Q N 3.096 122.840 119.800 -0.094 0.000 2.330 195 Q HA 0.355 4.693 4.340 -0.004 0.000 0.269 195 Q C -0.511 175.589 176.000 0.166 0.000 1.022 195 Q CA -0.625 55.196 55.803 0.030 0.000 0.796 195 Q CB 2.539 31.293 28.738 0.027 0.000 1.271 195 Q HN 0.446 nan 8.270 nan 0.000 0.450 196 L N 1.955 123.284 121.223 0.177 0.000 2.375 196 L HA 0.274 4.612 4.340 -0.004 0.000 0.271 196 L C 0.780 177.824 176.870 0.289 0.000 1.107 196 L CA -0.711 54.282 54.840 0.256 0.000 0.806 196 L CB 0.663 42.840 42.059 0.196 0.000 1.146 196 L HN 0.532 nan 8.230 nan 0.000 0.447 197 N N 2.417 121.338 118.700 0.369 0.000 2.411 197 N HA -0.057 4.681 4.740 -0.004 0.000 0.265 197 N C 0.760 176.465 175.510 0.324 0.000 1.266 197 N CA 0.075 53.305 53.050 0.300 0.000 0.889 197 N CB 0.788 39.412 38.487 0.228 0.000 1.069 197 N HN 0.425 nan 8.380 nan 0.000 0.476 198 R N 1.863 122.486 120.500 0.206 0.000 2.339 198 R HA -0.062 4.275 4.340 -0.004 0.000 0.199 198 R C 0.074 176.483 176.300 0.181 0.000 1.018 198 R CA 0.184 56.380 56.100 0.162 0.000 1.036 198 R CB -0.902 29.475 30.300 0.127 0.000 0.899 198 R HN 0.496 nan 8.270 nan 0.000 0.473 199 N N 1.187 120.033 118.700 0.243 0.000 2.663 199 N HA 0.044 4.781 4.740 -0.004 0.000 0.250 199 N C 1.032 176.736 175.510 0.323 0.000 1.129 199 N CA -0.038 53.148 53.050 0.227 0.000 0.995 199 N CB 0.753 39.358 38.487 0.197 0.000 1.324 199 N HN 0.119 nan 8.380 nan 0.000 0.512 200 G N 2.601 111.535 108.800 0.224 0.000 2.485 200 G HA2 -0.218 3.739 3.960 -0.004 0.000 0.221 200 G HA3 -0.218 3.739 3.960 -0.004 0.000 0.221 200 G C 1.352 176.453 174.900 0.335 0.000 1.115 200 G CA 0.381 45.616 45.100 0.225 0.000 0.751 200 G HN 0.608 nan 8.290 nan 0.000 0.567 201 L N -0.047 121.306 121.223 0.218 0.000 2.261 201 L HA -0.026 4.311 4.340 -0.004 0.000 0.216 201 L C 2.753 179.738 176.870 0.191 0.000 1.114 201 L CA 0.251 55.195 54.840 0.174 0.000 0.777 201 L CB -0.227 41.902 42.059 0.116 0.000 0.910 201 L HN 0.261 nan 8.230 nan 0.000 0.440 202 L N -1.510 119.846 121.223 0.222 0.000 2.127 202 L HA -0.253 4.084 4.340 -0.004 0.000 0.211 202 L C 2.184 179.032 176.870 -0.036 0.000 1.089 202 L CA 1.413 56.262 54.840 0.014 0.000 0.757 202 L CB -0.470 41.466 42.059 -0.205 0.000 0.899 202 L HN 0.496 nan 8.230 nan 0.000 0.434 203 W N -0.345 120.964 121.300 0.015 0.000 3.047 203 W HA -0.018 4.639 4.660 -0.004 0.000 0.250 203 W C 0.754 177.278 176.519 0.008 0.000 1.314 203 W CA -0.291 57.061 57.345 0.011 0.000 1.540 203 W CB -0.071 29.396 29.460 0.011 0.000 1.127 203 W HN 0.074 nan 8.180 nan 0.000 0.679 204 D N 1.068 121.590 120.400 0.203 0.000 2.358 204 D HA -0.037 4.600 4.640 -0.004 0.000 0.258 204 D C 0.942 177.287 176.300 0.075 0.000 1.223 204 D CA 0.465 54.539 54.000 0.125 0.000 0.886 204 D CB 0.502 41.362 40.800 0.100 0.000 1.120 204 D HN -0.039 nan 8.370 nan 0.000 0.482 205 N N 1.577 120.316 118.700 0.064 0.000 2.446 205 N HA -0.124 4.613 4.740 -0.004 0.000 0.179 205 N C 1.502 177.022 175.510 0.017 0.000 1.054 205 N CA 0.347 53.417 53.050 0.034 0.000 0.905 205 N CB 0.356 38.863 38.487 0.034 0.000 0.973 205 N HN 0.429 nan 8.380 nan 0.000 0.448 206 S N -0.281 115.433 115.700 0.024 0.000 2.489 206 S HA 0.089 4.557 4.470 -0.004 0.000 0.228 206 S C 0.955 175.556 174.600 0.002 0.000 0.995 206 S CA 0.219 58.427 58.200 0.013 0.000 0.934 206 S CB 0.133 63.348 63.200 0.025 0.000 0.771 206 S HN 0.087 nan 8.310 nan 0.000 0.522 207 L N 0.780 122.012 121.223 0.014 0.000 2.256 207 L HA 0.518 4.856 4.340 -0.004 0.000 0.261 207 L C -0.378 176.484 176.870 -0.014 0.000 1.022 207 L CA -0.989 53.855 54.840 0.005 0.000 0.828 207 L CB 1.213 43.312 42.059 0.067 0.000 1.374 207 L HN -0.017 nan 8.230 nan 0.000 0.436 208 N N 0.926 119.607 118.700 -0.031 0.000 3.114 208 N HA 0.215 4.952 4.740 -0.004 0.000 0.289 208 N C -0.987 174.532 175.510 0.016 0.000 1.519 208 N CA -0.061 52.971 53.050 -0.031 0.000 1.026 208 N CB 1.166 39.610 38.487 -0.072 0.000 1.306 208 N HN 0.116 nan 8.380 nan 0.000 0.495 209 V N 1.698 121.632 119.914 0.033 0.000 2.530 209 V HA 0.091 4.208 4.120 -0.004 0.000 0.282 209 V C 0.782 176.893 176.094 0.029 0.000 1.048 209 V CA -0.140 62.195 62.300 0.058 0.000 0.997 209 V CB 1.309 33.177 31.823 0.074 0.000 0.987 209 V HN 0.457 nan 8.190 nan 0.000 0.477 210 D N 1.913 122.345 120.400 0.054 0.000 2.563 210 D HA 0.430 5.068 4.640 -0.004 0.000 0.237 210 D C 0.253 176.550 176.300 -0.005 0.000 1.282 210 D CA 0.311 54.318 54.000 0.012 0.000 0.816 210 D CB 0.897 41.706 40.800 0.016 0.000 1.066 210 D HN 0.711 nan 8.370 nan 0.000 0.501 211 G N -0.854 107.990 108.800 0.073 0.000 2.349 211 G HA2 0.420 4.377 3.960 -0.004 0.000 0.294 211 G HA3 0.420 4.377 3.960 -0.004 0.000 0.294 211 G C -0.460 174.499 174.900 0.098 0.000 1.380 211 G CA -0.595 44.550 45.100 0.074 0.000 0.811 211 G HN 0.030 nan 8.290 nan 0.000 0.519 212 I N -1.262 119.356 120.570 0.080 0.000 3.878 212 I HA 0.424 4.592 4.170 -0.004 0.000 0.273 212 I C 0.236 176.434 176.117 0.134 0.000 1.165 212 I CA 0.124 61.426 61.300 0.004 0.000 1.360 212 I CB 1.143 39.092 38.000 -0.086 0.000 1.539 212 I HN 0.343 nan 8.210 nan 0.000 0.447 213 K N 0.769 121.244 120.400 0.125 0.000 2.561 213 K HA 0.396 4.713 4.320 -0.004 0.000 0.254 213 K C -1.016 175.666 176.600 0.137 0.000 0.942 213 K CA -0.176 56.208 56.287 0.161 0.000 0.818 213 K CB 2.341 34.937 32.500 0.161 0.000 1.306 213 K HN -0.057 nan 8.250 nan 0.000 0.435 214 T N 1.462 116.101 114.554 0.143 0.000 2.918 214 T HA 0.875 5.222 4.350 -0.004 0.000 0.286 214 T C -0.784 174.003 174.700 0.146 0.000 1.026 214 T CA -0.279 61.905 62.100 0.141 0.000 1.031 214 T CB 1.174 70.125 68.868 0.138 0.000 1.046 214 T HN 0.717 nan 8.240 nan 0.000 0.479 215 G N 2.257 111.152 108.800 0.158 0.000 2.742 215 G HA2 0.548 4.506 3.960 -0.004 0.000 0.296 215 G HA3 0.548 4.506 3.960 -0.004 0.000 0.296 215 G C -2.061 172.931 174.900 0.154 0.000 1.436 215 G CA -0.458 44.728 45.100 0.143 0.000 0.928 215 G HN 0.843 nan 8.290 nan 0.000 0.520 216 H N 0.232 119.303 119.070 0.002 0.000 2.947 216 H HA 0.732 5.286 4.556 -0.004 0.000 0.354 216 H C -1.486 173.780 175.328 -0.104 0.000 1.085 216 H CA -0.207 55.765 56.048 -0.126 0.000 1.253 216 H CB 2.481 32.089 29.762 -0.258 0.000 1.757 216 H HN 0.514 nan 8.280 nan 0.000 0.523 217 T N 3.773 117.837 114.554 -0.817 0.000 2.903 217 T HA 0.105 4.453 4.350 -0.004 0.000 0.299 217 T C 0.493 174.746 174.700 -0.746 0.000 1.093 217 T CA -0.601 61.191 62.100 -0.513 0.000 1.002 217 T CB 1.746 70.490 68.868 -0.207 0.000 1.127 217 T HN 0.553 nan 8.240 nan 0.000 0.488 218 D N 0.959 121.189 120.400 -0.284 0.000 2.219 218 D HA -0.045 4.592 4.640 -0.004 0.000 0.205 218 D C 1.816 178.039 176.300 -0.127 0.000 0.970 218 D CA 0.966 54.892 54.000 -0.123 0.000 0.851 218 D CB 0.362 41.163 40.800 0.003 0.000 0.943 218 D HN 0.269 nan 8.370 nan 0.000 0.488 219 K N 0.795 121.118 120.400 -0.128 0.000 1.984 219 K HA 0.012 4.329 4.320 -0.004 0.000 0.209 219 K C 1.981 178.512 176.600 -0.114 0.000 1.046 219 K CA 1.021 57.256 56.287 -0.087 0.000 0.934 219 K CB -0.532 31.932 32.500 -0.059 0.000 0.717 219 K HN 0.043 nan 8.250 nan 0.000 0.438 220 A N 0.579 123.293 122.820 -0.177 0.000 2.081 220 A HA 0.289 4.606 4.320 -0.004 0.000 0.214 220 A C 1.104 178.576 177.584 -0.187 0.000 1.158 220 A CA 1.227 53.175 52.037 -0.148 0.000 0.724 220 A CB -0.404 18.527 19.000 -0.114 0.000 0.826 220 A HN 0.434 nan 8.150 nan 0.000 0.463 221 G N -1.509 107.064 108.800 -0.378 0.000 2.593 221 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.237 221 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.237 221 G C -0.359 174.323 174.900 -0.362 0.000 1.312 221 G CA -0.030 44.876 45.100 -0.324 0.000 0.896 221 G HN 0.513 nan 8.290 nan 0.000 0.574 222 Y N 1.315 121.680 120.300 0.108 0.000 2.304 222 Y HA 0.590 5.137 4.550 -0.004 0.000 0.328 222 Y C 0.754 176.702 175.900 0.080 0.000 1.123 222 Y CA -0.344 57.844 58.100 0.147 0.000 1.218 222 Y CB 1.448 39.999 38.460 0.151 0.000 1.207 222 Y HN 0.514 nan 8.280 nan 0.000 0.495 223 N N 2.767 121.591 118.700 0.208 0.000 2.296 223 N HA 0.560 5.297 4.740 -0.004 0.000 0.294 223 N C -2.016 173.583 175.510 0.148 0.000 1.033 223 N CA -0.640 52.496 53.050 0.143 0.000 0.839 223 N CB 2.186 40.732 38.487 0.099 0.000 1.395 223 N HN 0.486 nan 8.380 nan 0.000 0.479 224 L N 1.856 123.153 121.223 0.123 0.000 2.505 224 L HA 0.588 4.925 4.340 -0.004 0.000 0.266 224 L C -1.755 175.169 176.870 0.090 0.000 0.954 224 L CA -0.642 54.263 54.840 0.108 0.000 0.852 224 L CB 1.940 44.057 42.059 0.097 0.000 1.282 224 L HN 0.264 nan 8.230 nan 0.000 0.403 225 V N 4.653 124.617 119.914 0.085 0.000 2.378 225 V HA 0.941 5.059 4.120 -0.004 0.000 0.288 225 V C 0.097 176.230 176.094 0.064 0.000 1.016 225 V CA 0.049 62.389 62.300 0.066 0.000 0.840 225 V CB 1.170 33.025 31.823 0.054 0.000 0.994 225 V HN 0.998 nan 8.190 nan 0.000 0.431 226 A N 3.876 126.732 122.820 0.060 0.000 2.423 226 A HA 0.958 5.276 4.320 -0.004 0.000 0.304 226 A C -0.503 177.119 177.584 0.062 0.000 1.104 226 A CA -0.610 51.469 52.037 0.070 0.000 0.757 226 A CB 2.252 21.297 19.000 0.076 0.000 1.313 226 A HN 0.746 nan 8.150 nan 0.000 0.423 227 S N -0.832 114.918 115.700 0.082 0.000 2.536 227 S HA 0.805 5.273 4.470 -0.004 0.000 0.271 227 S C -0.860 173.809 174.600 0.115 0.000 1.134 227 S CA 0.267 58.510 58.200 0.072 0.000 0.897 227 S CB 1.513 64.722 63.200 0.015 0.000 1.094 227 S HN 2.242 nan 8.310 nan 0.000 0.473 228 A N 2.036 124.951 122.820 0.160 0.000 2.587 228 A HA 0.917 5.235 4.320 -0.004 0.000 0.293 228 A C -0.415 177.348 177.584 0.298 0.000 1.087 228 A CA -0.597 51.570 52.037 0.217 0.000 0.692 228 A CB 1.512 20.698 19.000 0.311 0.000 1.291 228 A HN 1.114 nan 8.150 nan 0.000 0.407 229 T N -1.952 112.683 114.554 0.134 0.000 2.908 229 T HA 0.674 5.021 4.350 -0.004 0.000 0.290 229 T C 0.266 174.795 174.700 -0.285 0.000 1.034 229 T CA -0.159 61.974 62.100 0.054 0.000 1.010 229 T CB 2.123 70.994 68.868 0.005 0.000 1.068 229 T HN 0.689 nan 8.240 nan 0.000 0.481 230 E N 0.950 120.934 120.200 -0.361 0.000 2.288 230 E HA 0.354 4.701 4.350 -0.004 0.000 0.200 230 E C 1.365 177.844 176.600 -0.201 0.000 0.880 230 E CA 0.546 56.650 56.400 -0.493 0.000 0.971 230 E CB 0.057 29.302 29.700 -0.757 0.000 0.954 230 E HN 0.858 nan 8.360 nan 0.000 0.489 231 G N -0.187 108.558 108.800 -0.092 0.000 2.543 231 G HA2 0.002 3.960 3.960 -0.004 0.000 0.202 231 G HA3 0.002 3.960 3.960 -0.004 0.000 0.202 231 G C 0.468 175.362 174.900 -0.011 0.000 1.897 231 G CA 0.065 45.138 45.100 -0.044 0.000 0.726 231 G HN 0.048 nan 8.290 nan 0.000 0.804 232 Q N 0.065 119.877 119.800 0.021 0.000 2.319 232 Q HA 0.420 4.757 4.340 -0.004 0.000 0.202 232 Q C 0.992 177.026 176.000 0.058 0.000 0.896 232 Q CA -0.208 55.616 55.803 0.035 0.000 0.942 232 Q CB 0.423 29.192 28.738 0.051 0.000 1.083 232 Q HN 0.446 nan 8.270 nan 0.000 0.510 233 M N 1.729 121.382 119.600 0.088 0.000 2.219 233 M HA 0.190 4.668 4.480 -0.004 0.000 0.353 233 M C -0.629 175.812 176.300 0.235 0.000 1.304 233 M CA 0.061 55.459 55.300 0.164 0.000 1.115 233 M CB 0.607 33.350 32.600 0.238 0.000 1.664 233 M HN 0.045 nan 8.290 nan 0.000 0.459 234 R N 5.601 126.216 120.500 0.192 0.000 2.538 234 R HA 0.622 4.959 4.340 -0.004 0.000 0.292 234 R C -2.109 174.249 176.300 0.097 0.000 1.008 234 R CA -0.614 55.584 56.100 0.164 0.000 0.896 234 R CB 1.399 31.699 30.300 -0.000 0.000 1.187 234 R HN 0.819 nan 8.270 nan 0.000 0.440 235 L N 5.153 126.401 121.223 0.042 0.000 2.330 235 L HA 0.635 4.972 4.340 -0.004 0.000 0.271 235 L C -0.381 176.477 176.870 -0.020 0.000 1.013 235 L CA -1.150 53.638 54.840 -0.087 0.000 0.816 235 L CB 2.173 44.021 42.059 -0.353 0.000 1.287 235 L HN 0.556 nan 8.230 nan 0.000 0.435 236 I N 0.961 121.521 120.570 -0.016 0.000 2.498 236 I HA 0.337 4.505 4.170 -0.004 0.000 0.290 236 I C -0.373 175.749 176.117 0.010 0.000 1.032 236 I CA -0.327 60.974 61.300 0.002 0.000 1.073 236 I CB 2.263 40.267 38.000 0.007 0.000 1.251 236 I HN 0.597 nan 8.210 nan 0.000 0.426 237 S N 4.345 120.061 115.700 0.026 0.000 2.532 237 S HA 0.920 5.388 4.470 -0.004 0.000 0.301 237 S C -0.650 173.983 174.600 0.055 0.000 1.083 237 S CA -0.733 57.493 58.200 0.043 0.000 1.025 237 S CB 2.329 65.553 63.200 0.039 0.000 1.056 237 S HN 0.765 nan 8.310 nan 0.000 0.494 238 A N 1.873 124.739 122.820 0.075 0.000 2.375 238 A HA 0.727 5.044 4.320 -0.004 0.000 0.295 238 A C -1.179 176.474 177.584 0.115 0.000 1.066 238 A CA -0.727 51.359 52.037 0.081 0.000 0.722 238 A CB 1.386 20.426 19.000 0.067 0.000 1.206 238 A HN 0.969 nan 8.150 nan 0.000 0.435 239 V N 4.140 124.119 119.914 0.109 0.000 2.447 239 V HA 0.493 4.610 4.120 -0.004 0.000 0.292 239 V C -0.311 175.855 176.094 0.120 0.000 1.021 239 V CA -0.054 62.325 62.300 0.130 0.000 0.850 239 V CB 1.295 33.172 31.823 0.090 0.000 1.005 239 V HN 0.968 nan 8.190 nan 0.000 0.426 240 M N 2.773 122.444 119.600 0.118 0.000 2.465 240 M HA 0.636 5.114 4.480 -0.004 0.000 0.316 240 M C 0.928 177.284 176.300 0.094 0.000 1.121 240 M CA -0.304 55.054 55.300 0.097 0.000 0.934 240 M CB 2.084 34.728 32.600 0.074 0.000 1.692 240 M HN 0.831 nan 8.290 nan 0.000 0.444 241 G N 1.608 110.459 108.800 0.085 0.000 2.198 241 G HA2 -0.168 3.789 3.960 -0.004 0.000 0.257 241 G HA3 -0.168 3.789 3.960 -0.004 0.000 0.257 241 G C 0.265 175.243 174.900 0.130 0.000 1.042 241 G CA -0.044 45.104 45.100 0.079 0.000 0.791 241 G HN 1.168 nan 8.290 nan 0.000 0.502 242 G N -0.854 108.058 108.800 0.187 0.000 2.305 242 G HA2 0.348 4.306 3.960 -0.004 0.000 0.243 242 G HA3 0.348 4.306 3.960 -0.004 0.000 0.243 242 G C 0.918 175.993 174.900 0.293 0.000 1.288 242 G CA 0.225 45.455 45.100 0.218 0.000 0.901 242 G HN 0.540 nan 8.290 nan 0.000 0.516 243 R N 0.133 120.751 120.500 0.197 0.000 2.119 243 R HA 0.061 4.399 4.340 -0.004 0.000 0.222 243 R C 1.554 178.011 176.300 0.261 0.000 1.088 243 R CA 1.429 57.650 56.100 0.201 0.000 0.984 243 R CB 0.080 30.451 30.300 0.118 0.000 0.884 243 R HN 0.677 nan 8.270 nan 0.000 0.447 244 T N -4.397 110.252 114.554 0.159 0.000 2.901 244 T HA 0.188 4.536 4.350 -0.004 0.000 0.293 244 T C 0.443 174.979 174.700 -0.273 0.000 1.084 244 T CA -0.910 61.251 62.100 0.102 0.000 1.008 244 T CB 1.457 70.359 68.868 0.057 0.000 1.170 244 T HN 0.035 nan 8.240 nan 0.000 0.509 245 F N 2.017 121.794 119.950 -0.287 0.000 2.102 245 F HA 0.034 4.558 4.527 -0.004 0.000 0.298 245 F C 2.254 177.827 175.800 -0.378 0.000 1.105 245 F CA 1.369 59.084 58.000 -0.475 0.000 1.239 245 F CB -0.021 38.917 39.000 -0.103 0.000 0.991 245 F HN 0.485 nan 8.300 nan 0.000 0.474 246 K N 0.221 120.570 120.400 -0.085 0.000 2.209 246 K HA -0.039 4.278 4.320 -0.004 0.000 0.204 246 K C 2.011 178.490 176.600 -0.202 0.000 1.048 246 K CA 1.229 57.449 56.287 -0.111 0.000 0.940 246 K CB -1.542 30.967 32.500 0.016 0.000 0.729 246 K HN 0.420 nan 8.250 nan 0.000 0.451 247 G N 0.857 109.524 108.800 -0.223 0.000 3.088 247 G HA2 -0.055 3.902 3.960 -0.004 0.000 0.217 247 G HA3 -0.055 3.902 3.960 -0.004 0.000 0.217 247 G C 1.444 176.206 174.900 -0.231 0.000 1.159 247 G CA -0.279 44.715 45.100 -0.177 0.000 0.760 247 G HN 0.187 nan 8.290 nan 0.000 0.550 248 R N 0.296 120.546 120.500 -0.417 0.000 2.189 248 R HA -0.235 4.103 4.340 -0.004 0.000 0.252 248 R C 2.083 178.278 176.300 -0.176 0.000 1.134 248 R CA 2.578 58.432 56.100 -0.409 0.000 0.954 248 R CB -0.019 29.937 30.300 -0.573 0.000 0.890 248 R HN 0.484 nan 8.270 nan 0.000 0.443 249 E N -2.413 117.692 120.200 -0.160 0.000 2.364 249 E HA 0.141 4.489 4.350 -0.004 0.000 0.203 249 E C 1.687 178.257 176.600 -0.050 0.000 0.888 249 E CA 0.379 56.737 56.400 -0.070 0.000 0.989 249 E CB 0.268 29.934 29.700 -0.056 0.000 0.985 249 E HN 0.360 nan 8.360 nan 0.000 0.499 250 A N 1.937 124.712 122.820 -0.075 0.000 1.902 250 A HA -0.212 4.106 4.320 -0.004 0.000 0.217 250 A C 1.977 179.534 177.584 -0.045 0.000 1.181 250 A CA 1.335 53.343 52.037 -0.050 0.000 0.623 250 A CB -0.270 18.695 19.000 -0.058 0.000 0.818 250 A HN 0.042 nan 8.150 nan 0.000 0.443 251 E N 0.205 120.367 120.200 -0.064 0.000 2.077 251 E HA -0.103 4.244 4.350 -0.004 0.000 0.193 251 E C 2.333 178.886 176.600 -0.078 0.000 0.989 251 E CA 1.382 57.736 56.400 -0.078 0.000 0.800 251 E CB -0.599 29.054 29.700 -0.079 0.000 0.746 251 E HN 0.542 nan 8.360 nan 0.000 0.452 252 S N 0.914 116.588 115.700 -0.043 0.000 2.383 252 S HA -0.135 4.332 4.470 -0.004 0.000 0.227 252 S C 1.883 176.488 174.600 0.008 0.000 1.026 252 S CA 1.149 59.338 58.200 -0.019 0.000 0.981 252 S CB -0.079 63.130 63.200 0.015 0.000 0.818 252 S HN 0.226 nan 8.310 nan 0.000 0.472 253 K N 1.331 121.742 120.400 0.019 0.000 2.147 253 K HA -0.100 4.217 4.320 -0.004 0.000 0.205 253 K C 1.905 178.543 176.600 0.065 0.000 1.049 253 K CA 1.144 57.462 56.287 0.052 0.000 0.936 253 K CB -0.032 32.493 32.500 0.043 0.000 0.722 253 K HN 0.209 nan 8.250 nan 0.000 0.446 254 K N 0.522 120.937 120.400 0.026 0.000 2.025 254 K HA -0.102 4.215 4.320 -0.004 0.000 0.207 254 K C 2.187 178.836 176.600 0.081 0.000 1.049 254 K CA 1.260 57.569 56.287 0.038 0.000 0.933 254 K CB -0.115 32.362 32.500 -0.038 0.000 0.714 254 K HN 0.149 nan 8.250 nan 0.000 0.438 255 L N 0.999 122.226 121.223 0.006 0.000 1.994 255 L HA -0.226 4.111 4.340 -0.004 0.000 0.208 255 L C 2.379 179.360 176.870 0.185 0.000 1.071 255 L CA 1.218 56.084 54.840 0.044 0.000 0.745 255 L CB -0.387 41.629 42.059 -0.071 0.000 0.892 255 L HN 0.202 nan 8.230 nan 0.000 0.431 256 L N -0.836 120.457 121.223 0.117 0.000 1.970 256 L HA -0.260 4.077 4.340 -0.004 0.000 0.212 256 L C 2.819 179.801 176.870 0.187 0.000 1.071 256 L CA 2.115 57.011 54.840 0.094 0.000 0.751 256 L CB -1.008 41.140 42.059 0.148 0.000 0.889 256 L HN 0.412 nan 8.230 nan 0.000 0.432 257 T N -1.685 113.026 114.554 0.261 0.000 2.759 257 T HA -0.297 4.051 4.350 -0.004 0.000 0.269 257 T C 1.556 176.431 174.700 0.293 0.000 1.042 257 T CA 1.505 63.782 62.100 0.295 0.000 1.140 257 T CB -0.448 68.541 68.868 0.202 0.000 0.864 257 T HN 0.522 nan 8.240 nan 0.000 0.455 258 W N 1.583 122.967 121.300 0.141 0.000 2.358 258 W HA 0.092 4.750 4.660 -0.005 0.000 0.303 258 W C 2.381 179.086 176.519 0.311 0.000 1.208 258 W CA 1.422 58.913 57.345 0.245 0.000 1.274 258 W CB -0.775 28.833 29.460 0.247 0.000 1.138 258 W HN 0.304 nan 8.180 nan 0.000 0.515 259 G N -0.098 108.893 108.800 0.318 0.000 2.446 259 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.217 259 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.217 259 G C 1.450 176.340 174.900 -0.017 0.000 1.168 259 G CA 1.122 46.272 45.100 0.082 0.000 0.771 259 G HN 0.373 nan 8.290 nan 0.000 0.551 260 F N 0.345 120.344 119.950 0.081 0.000 2.234 260 F HA 0.081 4.606 4.527 -0.004 0.000 0.299 260 F C 2.796 178.525 175.800 -0.118 0.000 1.087 260 F CA 1.117 59.120 58.000 0.005 0.000 1.340 260 F CB 0.008 39.010 39.000 0.003 0.000 1.031 260 F HN 0.024 nan 8.300 nan 0.000 0.500 261 R N -0.014 120.446 120.500 -0.067 0.000 2.075 261 R HA -0.118 4.219 4.340 -0.004 0.000 0.232 261 R C 1.564 177.439 176.300 -0.709 0.000 1.126 261 R CA 1.668 57.508 56.100 -0.434 0.000 0.963 261 R CB -0.318 29.584 30.300 -0.662 0.000 0.858 261 R HN 0.239 nan 8.270 nan 0.000 0.435 262 F N -1.391 118.295 119.950 -0.440 0.000 2.746 262 F HA 0.288 4.813 4.527 -0.004 0.000 0.297 262 F C -0.067 175.122 175.800 -1.018 0.000 1.113 262 F CA -0.267 57.243 58.000 -0.816 0.000 1.367 262 F CB 0.523 38.762 39.000 -1.268 0.000 1.111 262 F HN -0.154 nan 8.300 nan 0.000 0.590 263 F N 0.092 119.980 119.950 -0.104 0.000 2.588 263 F HA 0.450 4.975 4.527 -0.004 0.000 0.314 263 F C -0.180 175.606 175.800 -0.023 0.000 1.069 263 F CA -1.368 56.589 58.000 -0.072 0.000 0.931 263 F CB 1.570 40.499 39.000 -0.117 0.000 1.260 263 F HN -0.198 nan 8.300 nan 0.000 0.465 264 E N -0.352 119.960 120.200 0.186 0.000 2.393 264 E HA 0.666 5.013 4.350 -0.004 0.000 0.273 264 E C -1.783 174.890 176.600 0.121 0.000 0.918 264 E CA -0.959 55.523 56.400 0.136 0.000 0.773 264 E CB 2.327 32.078 29.700 0.084 0.000 1.275 264 E HN 0.461 nan 8.360 nan 0.000 0.451 265 T N 1.278 115.898 114.554 0.111 0.000 2.807 265 T HA 0.499 4.847 4.350 -0.004 0.000 0.279 265 T C -0.411 174.354 174.700 0.108 0.000 0.993 265 T CA -0.585 61.575 62.100 0.101 0.000 0.970 265 T CB 1.254 70.181 68.868 0.098 0.000 0.950 265 T HN 0.503 nan 8.240 nan 0.000 0.441 266 V N 1.193 121.156 119.914 0.083 0.000 2.960 266 V HA 0.686 4.803 4.120 -0.004 0.000 0.315 266 V C -0.246 175.861 176.094 0.021 0.000 1.087 266 V CA -1.132 61.200 62.300 0.054 0.000 0.982 266 V CB 2.107 33.938 31.823 0.012 0.000 1.039 266 V HN 0.934 nan 8.190 nan 0.000 0.437 267 N N 2.775 121.454 118.700 -0.036 0.000 2.804 267 N HA 0.377 5.114 4.740 -0.004 0.000 0.251 267 N C -1.756 173.655 175.510 -0.166 0.000 1.250 267 N CA -1.429 51.489 53.050 -0.219 0.000 0.820 267 N CB 1.836 40.189 38.487 -0.224 0.000 1.156 267 N HN 0.685 nan 8.380 nan 0.000 0.512 268 P HA 0.015 nan 4.420 nan 0.000 0.223 268 P C -0.187 177.118 177.300 0.008 0.000 1.151 268 P CA 0.409 63.484 63.100 -0.042 0.000 0.787 268 P CB 0.617 32.299 31.700 -0.029 0.000 0.788 269 L N -0.432 120.748 121.223 -0.072 0.000 2.565 269 L HA 0.377 4.714 4.340 -0.004 0.000 0.261 269 L C -1.139 175.673 176.870 -0.096 0.000 0.932 269 L CA -0.828 53.998 54.840 -0.023 0.000 0.878 269 L CB 2.040 44.124 42.059 0.043 0.000 1.333 269 L HN -0.213 nan 8.230 nan 0.000 0.409 270 K N 3.654 124.019 120.400 -0.058 0.000 2.156 270 K HA 0.638 4.956 4.320 -0.004 0.000 0.250 270 K C -0.606 175.974 176.600 -0.033 0.000 0.955 270 K CA -1.013 55.233 56.287 -0.068 0.000 0.855 270 K CB 1.949 34.419 32.500 -0.050 0.000 1.101 270 K HN 0.323 nan 8.250 nan 0.000 0.434 271 V N 1.892 121.786 119.914 -0.034 0.000 2.726 271 V HA -0.084 4.034 4.120 -0.004 0.000 0.304 271 V C 1.547 177.638 176.094 -0.006 0.000 1.115 271 V CA 2.281 64.571 62.300 -0.016 0.000 1.264 271 V CB -0.167 31.650 31.823 -0.009 0.000 0.867 271 V HN 1.177 nan 8.190 nan 0.000 0.498 272 G N 3.649 112.448 108.800 -0.001 0.000 2.234 272 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.260 272 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.260 272 G C 0.255 175.160 174.900 0.007 0.000 0.987 272 G CA 0.473 45.575 45.100 0.003 0.000 0.625 272 G HN 0.942 nan 8.290 nan 0.000 0.532 273 K N 1.676 122.085 120.400 0.014 0.000 2.234 273 K HA 0.513 4.830 4.320 -0.004 0.000 0.282 273 K C 0.361 176.986 176.600 0.043 0.000 1.039 273 K CA -0.441 55.861 56.287 0.025 0.000 0.928 273 K CB 0.771 33.289 32.500 0.030 0.000 1.039 273 K HN 0.308 nan 8.250 nan 0.000 0.470 274 E N 4.562 124.779 120.200 0.029 0.000 2.351 274 E HA -0.034 4.314 4.350 -0.004 0.000 0.266 274 E C -0.404 176.230 176.600 0.057 0.000 1.031 274 E CA 0.001 56.416 56.400 0.024 0.000 0.911 274 E CB 0.253 29.945 29.700 -0.013 0.000 0.986 274 E HN 0.763 nan 8.360 nan 0.000 0.446 275 F N 4.437 124.329 119.950 -0.095 0.000 2.437 275 F HA 0.373 4.898 4.527 -0.004 0.000 0.288 275 F C 0.176 175.879 175.800 -0.161 0.000 1.085 275 F CA 0.637 58.569 58.000 -0.113 0.000 1.430 275 F CB 0.651 39.567 39.000 -0.141 0.000 1.120 275 F HN 0.499 nan 8.300 nan 0.000 0.556 276 A N -0.577 122.106 122.820 -0.229 0.000 2.602 276 A HA 0.620 4.937 4.320 -0.004 0.000 0.290 276 A C -1.289 176.187 177.584 -0.181 0.000 1.114 276 A CA -0.324 51.507 52.037 -0.344 0.000 0.683 276 A CB 1.079 19.630 19.000 -0.748 0.000 1.281 276 A HN 0.029 nan 8.150 nan 0.000 0.416 277 S N -0.036 115.594 115.700 -0.118 0.000 2.538 277 S HA 0.700 5.167 4.470 -0.004 0.000 0.288 277 S C -1.515 173.074 174.600 -0.019 0.000 1.108 277 S CA -0.417 57.744 58.200 -0.064 0.000 0.971 277 S CB 1.183 64.348 63.200 -0.057 0.000 1.041 277 S HN 0.610 nan 8.310 nan 0.000 0.483 278 E N 2.824 123.014 120.200 -0.016 0.000 2.356 278 E HA 0.449 4.797 4.350 -0.004 0.000 0.275 278 E C -2.898 173.677 176.600 -0.042 0.000 0.904 278 E CA -2.223 54.183 56.400 0.010 0.000 0.757 278 E CB 1.818 31.555 29.700 0.062 0.000 1.232 278 E HN 0.366 nan 8.360 nan 0.000 0.442 279 P HA 0.064 nan 4.420 nan 0.000 0.267 279 P C -0.564 176.600 177.300 -0.226 0.000 1.200 279 P CA -0.122 62.856 63.100 -0.204 0.000 0.772 279 P CB 0.492 32.045 31.700 -0.246 0.000 0.855 280 V N 1.758 121.460 119.914 -0.352 0.000 2.656 280 V HA 0.440 4.558 4.120 -0.004 0.000 0.307 280 V C -0.679 175.126 176.094 -0.481 0.000 1.051 280 V CA -0.696 61.462 62.300 -0.236 0.000 0.893 280 V CB 1.569 33.333 31.823 -0.098 0.000 0.999 280 V HN 0.518 nan 8.190 nan 0.000 0.426 281 W N 3.000 124.247 121.300 -0.089 0.000 2.449 281 W HA 0.732 5.390 4.660 -0.004 0.000 0.331 281 W C 0.299 176.593 176.519 -0.375 0.000 1.119 281 W CA -0.421 56.650 57.345 -0.455 0.000 1.240 281 W CB 0.669 29.600 29.460 -0.881 0.000 1.251 281 W HN 0.625 nan 8.180 nan 0.000 0.576 282 F N -0.305 119.751 119.950 0.177 0.000 2.953 282 F HA -0.189 4.335 4.527 -0.004 0.000 0.292 282 F C 0.781 176.610 175.800 0.048 0.000 0.747 282 F CA 0.391 58.442 58.000 0.085 0.000 1.222 282 F CB -1.883 37.149 39.000 0.053 0.000 1.457 282 F HN 0.413 nan 8.300 nan 0.000 0.383 283 G N 0.377 109.253 108.800 0.126 0.000 2.509 283 G HA2 0.481 4.439 3.960 -0.004 0.000 0.328 283 G HA3 0.481 4.439 3.960 -0.004 0.000 0.328 283 G C 0.485 175.407 174.900 0.037 0.000 1.194 283 G CA 0.062 45.212 45.100 0.083 0.000 0.967 283 G HN 0.172 nan 8.290 nan 0.000 0.488 284 D N -1.174 119.245 120.400 0.032 0.000 2.310 284 D HA -0.012 4.625 4.640 -0.004 0.000 0.212 284 D C 0.843 177.139 176.300 -0.006 0.000 0.965 284 D CA 0.537 54.546 54.000 0.015 0.000 0.879 284 D CB 0.089 40.899 40.800 0.017 0.000 0.921 284 D HN 0.126 nan 8.370 nan 0.000 0.510 285 S N -0.321 115.368 115.700 -0.018 0.000 2.600 285 S HA 0.295 4.763 4.470 -0.004 0.000 0.300 285 S C -0.142 174.410 174.600 -0.080 0.000 1.087 285 S CA -0.797 57.377 58.200 -0.042 0.000 0.965 285 S CB 2.096 65.274 63.200 -0.036 0.000 1.089 285 S HN -0.090 nan 8.310 nan 0.000 0.496 286 D N 0.709 121.045 120.400 -0.106 0.000 2.323 286 D HA 0.110 4.748 4.640 -0.004 0.000 0.209 286 D C 0.343 176.531 176.300 -0.187 0.000 0.973 286 D CA 0.826 54.722 54.000 -0.174 0.000 0.874 286 D CB 0.261 40.963 40.800 -0.163 0.000 0.930 286 D HN 0.294 nan 8.370 nan 0.000 0.521 287 R N -0.251 120.176 120.500 -0.122 0.000 2.771 287 R HA 0.758 5.096 4.340 -0.004 0.000 0.274 287 R C -1.098 175.163 176.300 -0.065 0.000 0.987 287 R CA -0.854 55.184 56.100 -0.103 0.000 0.908 287 R CB 2.373 32.620 30.300 -0.088 0.000 1.213 287 R HN -0.085 nan 8.270 nan 0.000 0.468 288 A N 1.005 123.795 122.820 -0.050 0.000 2.305 288 A HA 0.477 4.794 4.320 -0.004 0.000 0.322 288 A C -0.450 177.114 177.584 -0.033 0.000 1.187 288 A CA -0.433 51.587 52.037 -0.029 0.000 0.825 288 A CB 1.640 20.634 19.000 -0.010 0.000 1.164 288 A HN 0.488 nan 8.150 nan 0.000 0.498 289 S N 1.367 117.051 115.700 -0.027 0.000 2.475 289 S HA 0.581 5.049 4.470 -0.004 0.000 0.281 289 S C -0.810 173.774 174.600 -0.027 0.000 1.198 289 S CA -0.416 57.766 58.200 -0.030 0.000 1.063 289 S CB -0.313 62.874 63.200 -0.022 0.000 0.972 289 S HN 0.487 nan 8.310 nan 0.000 0.486 290 L N 4.346 125.544 121.223 -0.041 0.000 2.346 290 L HA 0.900 5.238 4.340 -0.004 0.000 0.274 290 L C 0.823 177.691 176.870 -0.004 0.000 1.007 290 L CA 0.104 54.919 54.840 -0.042 0.000 0.818 290 L CB 1.352 43.351 42.059 -0.099 0.000 1.284 290 L HN 0.882 nan 8.230 nan 0.000 0.424 291 G N 1.163 109.958 108.800 -0.008 0.000 2.696 291 G HA2 0.591 4.549 3.960 -0.004 0.000 0.151 291 G HA3 0.591 4.549 3.960 -0.004 0.000 0.151 291 G C -1.284 173.588 174.900 -0.047 0.000 1.197 291 G CA 0.313 45.415 45.100 0.004 0.000 1.053 291 G HN 0.702 nan 8.290 nan 0.000 0.546 292 V N -1.551 118.339 119.914 -0.039 0.000 3.074 292 V HA 0.740 4.857 4.120 -0.004 0.000 0.314 292 V C -0.288 175.791 176.094 -0.025 0.000 1.117 292 V CA 0.063 62.338 62.300 -0.042 0.000 1.014 292 V CB 2.096 33.886 31.823 -0.055 0.000 1.057 292 V HN 0.763 nan 8.190 nan 0.000 0.438 293 D N -0.284 120.104 120.400 -0.019 0.000 2.363 293 D HA 0.234 4.872 4.640 -0.004 0.000 0.214 293 D C 0.193 176.488 176.300 -0.010 0.000 1.093 293 D CA 0.139 54.132 54.000 -0.011 0.000 0.837 293 D CB 0.298 41.095 40.800 -0.005 0.000 0.948 293 D HN 0.686 nan 8.370 nan 0.000 0.507 294 K N 0.847 121.236 120.400 -0.018 0.000 2.535 294 K HA 0.128 4.445 4.320 -0.004 0.000 0.251 294 K C -1.311 175.265 176.600 -0.040 0.000 0.942 294 K CA -0.649 55.630 56.287 -0.013 0.000 0.798 294 K CB 1.750 34.247 32.500 -0.005 0.000 1.267 294 K HN -0.173 nan 8.250 nan 0.000 0.434 295 D N 2.276 122.646 120.400 -0.050 0.000 2.571 295 D HA -0.039 4.598 4.640 -0.004 0.000 0.231 295 D C -0.143 176.010 176.300 -0.245 0.000 1.133 295 D CA 0.491 54.391 54.000 -0.166 0.000 0.862 295 D CB 1.031 41.709 40.800 -0.204 0.000 1.179 295 D HN 0.103 nan 8.370 nan 0.000 0.474 296 V N 3.688 123.404 119.914 -0.329 0.000 2.406 296 V HA 0.112 4.229 4.120 -0.004 0.000 0.272 296 V C -0.452 175.335 176.094 -0.512 0.000 1.043 296 V CA -0.238 61.875 62.300 -0.312 0.000 0.915 296 V CB -0.027 31.647 31.823 -0.248 0.000 0.988 296 V HN 0.356 nan 8.190 nan 0.000 0.466 297 Y N 5.266 125.477 120.300 -0.147 0.000 2.364 297 Y HA 0.676 5.224 4.550 -0.004 0.000 0.340 297 Y C -0.324 175.473 175.900 -0.172 0.000 0.975 297 Y CA -0.937 57.080 58.100 -0.138 0.000 1.089 297 Y CB 1.812 40.211 38.460 -0.101 0.000 1.192 297 Y HN 0.359 nan 8.280 nan 0.000 0.454 298 L N 2.425 123.625 121.223 -0.038 0.000 2.362 298 L HA 0.563 4.900 4.340 -0.004 0.000 0.271 298 L C -0.175 176.688 176.870 -0.013 0.000 1.002 298 L CA -0.751 54.035 54.840 -0.090 0.000 0.818 298 L CB 2.269 44.195 42.059 -0.221 0.000 1.298 298 L HN 0.552 nan 8.230 nan 0.000 0.420 299 T N 4.751 119.297 114.554 -0.012 0.000 2.749 299 T HA 0.732 5.079 4.350 -0.004 0.000 0.287 299 T C -0.106 174.635 174.700 0.069 0.000 0.970 299 T CA -0.205 61.908 62.100 0.021 0.000 0.980 299 T CB 0.423 69.268 68.868 -0.038 0.000 0.924 299 T HN 0.510 nan 8.240 nan 0.000 0.456 300 I N 0.831 121.477 120.570 0.128 0.000 3.042 300 I HA 0.722 4.890 4.170 -0.004 0.000 0.310 300 I C -3.074 173.160 176.117 0.195 0.000 1.117 300 I CA -3.657 57.733 61.300 0.150 0.000 1.003 300 I CB 2.264 40.310 38.000 0.077 0.000 1.228 300 I HN 0.233 nan 8.210 nan 0.000 0.443 301 P HA 0.055 nan 4.420 nan 0.000 0.264 301 P C -0.809 176.464 177.300 -0.045 0.000 1.193 301 P CA 0.029 63.098 63.100 -0.050 0.000 0.763 301 P CB 0.350 32.018 31.700 -0.054 0.000 0.810 302 R N 2.993 123.428 120.500 -0.108 0.000 2.585 302 R HA 0.226 4.564 4.340 -0.004 0.000 0.275 302 R C 1.284 177.556 176.300 -0.047 0.000 1.018 302 R CA 1.448 57.512 56.100 -0.060 0.000 1.072 302 R CB -0.721 29.518 30.300 -0.102 0.000 0.953 302 R HN 0.817 nan 8.270 nan 0.000 0.419 303 G N 3.763 112.551 108.800 -0.020 0.000 2.254 303 G HA2 -0.225 3.732 3.960 -0.004 0.000 0.225 303 G HA3 -0.225 3.732 3.960 -0.004 0.000 0.225 303 G C 0.758 175.659 174.900 0.002 0.000 1.003 303 G CA 0.012 45.105 45.100 -0.013 0.000 0.622 303 G HN 0.576 nan 8.290 nan 0.000 0.507 304 R N 0.288 120.793 120.500 0.009 0.000 2.310 304 R HA 0.354 4.691 4.340 -0.004 0.000 0.202 304 R C 2.196 178.515 176.300 0.031 0.000 0.933 304 R CA 0.509 56.621 56.100 0.021 0.000 1.054 304 R CB -0.656 29.659 30.300 0.025 0.000 0.985 304 R HN 0.636 nan 8.270 nan 0.000 0.489 305 M N 1.057 120.675 119.600 0.030 0.000 2.192 305 M HA -0.218 4.259 4.480 -0.004 0.000 0.259 305 M C 0.481 176.805 176.300 0.041 0.000 1.071 305 M CA 1.858 57.180 55.300 0.036 0.000 1.082 305 M CB 0.101 32.720 32.600 0.032 0.000 1.373 305 M HN -0.188 nan 8.290 nan 0.000 0.408 306 K N 0.225 120.645 120.400 0.034 0.000 2.444 306 K HA 0.024 4.341 4.320 -0.004 0.000 0.193 306 K C 0.442 177.067 176.600 0.040 0.000 1.024 306 K CA 0.665 56.974 56.287 0.036 0.000 1.077 306 K CB 0.036 32.552 32.500 0.026 0.000 0.833 306 K HN 0.375 nan 8.250 nan 0.000 0.517 307 D N -0.488 119.938 120.400 0.044 0.000 2.379 307 D HA 0.040 4.677 4.640 -0.004 0.000 0.208 307 D C -0.358 175.980 176.300 0.064 0.000 1.065 307 D CA -0.190 53.838 54.000 0.047 0.000 0.848 307 D CB 0.180 41.004 40.800 0.039 0.000 0.949 307 D HN 0.003 nan 8.370 nan 0.000 0.509 308 L N 1.566 122.836 121.223 0.078 0.000 2.410 308 L HA 0.158 4.495 4.340 -0.004 0.000 0.273 308 L C -0.131 176.820 176.870 0.134 0.000 1.152 308 L CA 0.360 55.268 54.840 0.114 0.000 0.855 308 L CB 0.272 42.405 42.059 0.122 0.000 1.129 308 L HN -0.303 nan 8.230 nan 0.000 0.463 309 K N 4.476 124.962 120.400 0.144 0.000 2.267 309 K HA 0.845 5.163 4.320 -0.004 0.000 0.246 309 K C -1.040 175.649 176.600 0.148 0.000 0.954 309 K CA -0.614 55.749 56.287 0.128 0.000 0.824 309 K CB 1.949 34.497 32.500 0.081 0.000 1.167 309 K HN 0.634 nan 8.250 nan 0.000 0.431 310 A N 0.687 123.582 122.820 0.125 0.000 2.435 310 A HA 0.745 5.062 4.320 -0.004 0.000 0.304 310 A C -0.535 177.128 177.584 0.131 0.000 1.064 310 A CA -0.461 51.592 52.037 0.026 0.000 0.727 310 A CB 1.193 20.189 19.000 -0.007 0.000 1.284 310 A HN 0.794 nan 8.150 nan 0.000 0.415 311 S N -0.042 115.713 115.700 0.092 0.000 2.776 311 S HA 0.925 5.392 4.470 -0.004 0.000 0.292 311 S C -0.949 173.803 174.600 0.253 0.000 1.187 311 S CA -0.349 57.951 58.200 0.167 0.000 0.834 311 S CB 1.190 64.402 63.200 0.020 0.000 1.199 311 S HN 2.009 nan 8.310 nan 0.000 0.514 312 Y N -1.355 118.991 120.300 0.076 0.000 2.638 312 Y HA 0.819 5.367 4.550 -0.004 0.000 0.335 312 Y C -1.165 174.752 175.900 0.028 0.000 1.155 312 Y CA -1.191 56.944 58.100 0.058 0.000 1.046 312 Y CB 0.869 39.432 38.460 0.171 0.000 1.303 312 Y HN 1.011 nan 8.280 nan 0.000 0.460 313 V N 0.362 120.332 119.914 0.093 0.000 3.001 313 V HA 0.792 4.910 4.120 -0.004 0.000 0.314 313 V C -1.223 174.955 176.094 0.140 0.000 1.099 313 V CA -1.365 60.946 62.300 0.018 0.000 0.989 313 V CB 1.901 33.725 31.823 0.002 0.000 1.040 313 V HN 0.914 nan 8.190 nan 0.000 0.434 314 L N 2.083 123.362 121.223 0.093 0.000 2.329 314 L HA 0.591 4.929 4.340 -0.004 0.000 0.279 314 L C 0.867 177.771 176.870 0.057 0.000 1.014 314 L CA -0.716 54.190 54.840 0.109 0.000 0.814 314 L CB 1.810 43.939 42.059 0.118 0.000 1.257 314 L HN 0.649 nan 8.230 nan 0.000 0.424 315 N N 0.133 118.862 118.700 0.049 0.000 2.244 315 N HA -0.047 4.690 4.740 -0.004 0.000 0.183 315 N C -0.034 175.486 175.510 0.016 0.000 1.016 315 N CA 0.667 53.733 53.050 0.028 0.000 0.866 315 N CB 0.179 38.681 38.487 0.024 0.000 0.980 315 N HN 0.509 nan 8.380 nan 0.000 0.430 316 S N -1.362 114.348 115.700 0.017 0.000 2.536 316 S HA 0.264 4.732 4.470 -0.004 0.000 0.298 316 S C 0.993 175.597 174.600 0.007 0.000 1.083 316 S CA -0.776 57.423 58.200 -0.002 0.000 0.995 316 S CB 2.447 65.630 63.200 -0.029 0.000 1.058 316 S HN 0.078 nan 8.310 nan 0.000 0.488 317 S N 1.145 116.843 115.700 -0.002 0.000 2.359 317 S HA -0.115 4.352 4.470 -0.004 0.000 0.223 317 S C 0.386 175.013 174.600 0.044 0.000 1.039 317 S CA 1.482 59.691 58.200 0.016 0.000 1.042 317 S CB -0.168 63.034 63.200 0.005 0.000 0.915 317 S HN 0.740 nan 8.310 nan 0.000 0.439 318 E N -0.175 120.031 120.200 0.010 0.000 2.256 318 E HA 0.487 4.835 4.350 -0.004 0.000 0.267 318 E C -1.317 175.299 176.600 0.027 0.000 0.892 318 E CA -0.536 55.919 56.400 0.093 0.000 0.775 318 E CB 1.822 31.603 29.700 0.136 0.000 1.207 318 E HN 0.244 nan 8.360 nan 0.000 0.420 319 L N 3.355 124.696 121.223 0.196 0.000 2.264 319 L HA 0.333 4.671 4.340 -0.004 0.000 0.289 319 L C -0.714 176.406 176.870 0.417 0.000 1.044 319 L CA -0.601 54.345 54.840 0.176 0.000 0.807 319 L CB 0.304 42.444 42.059 0.136 0.000 1.192 319 L HN 0.390 nan 8.230 nan 0.000 0.425 320 H N 2.407 121.628 119.070 0.252 0.000 2.539 320 H HA 0.475 5.029 4.556 -0.004 0.000 0.332 320 H C 0.066 175.560 175.328 0.277 0.000 1.031 320 H CA -0.973 55.296 56.048 0.368 0.000 1.206 320 H CB 1.686 31.709 29.762 0.434 0.000 1.446 320 H HN 0.696 nan 8.280 nan 0.000 0.496 321 A N 5.054 128.122 122.820 0.413 0.000 2.466 321 A HA 0.336 4.654 4.320 -0.004 0.000 0.238 321 A C -2.058 175.658 177.584 0.221 0.000 1.074 321 A CA -0.958 51.231 52.037 0.254 0.000 0.774 321 A CB -0.396 18.730 19.000 0.210 0.000 1.015 321 A HN 0.459 nan 8.150 nan 0.000 0.498 322 P HA 0.416 nan 4.420 nan 0.000 0.280 322 P C -1.056 176.300 177.300 0.093 0.000 1.244 322 P CA 0.036 63.194 63.100 0.098 0.000 0.784 322 P CB 0.611 32.348 31.700 0.061 0.000 0.913 323 L N 3.146 124.417 121.223 0.079 0.000 2.305 323 L HA 0.369 4.706 4.340 -0.004 0.000 0.284 323 L C 0.658 177.554 176.870 0.043 0.000 1.013 323 L CA -0.600 54.278 54.840 0.063 0.000 0.819 323 L CB 1.439 43.535 42.059 0.062 0.000 1.227 323 L HN 0.299 nan 8.230 nan 0.000 0.417 324 Q N 2.362 122.183 119.800 0.035 0.000 2.227 324 Q HA 0.269 4.606 4.340 -0.004 0.000 0.245 324 Q C -0.377 175.635 176.000 0.019 0.000 0.926 324 Q CA -0.690 55.128 55.803 0.025 0.000 0.895 324 Q CB 2.142 30.893 28.738 0.023 0.000 1.230 324 Q HN 0.342 nan 8.270 nan 0.000 0.450 325 K N 1.692 122.101 120.400 0.015 0.000 2.524 325 K HA -0.147 4.170 4.320 -0.004 0.000 0.279 325 K C -0.264 176.342 176.600 0.009 0.000 0.993 325 K CA 0.306 56.599 56.287 0.011 0.000 1.030 325 K CB 0.228 32.733 32.500 0.009 0.000 0.891 325 K HN 0.599 nan 8.250 nan 0.000 0.488 326 N N 1.382 120.086 118.700 0.006 0.000 2.778 326 N HA -0.246 4.491 4.740 -0.004 0.000 0.249 326 N C -0.673 174.841 175.510 0.007 0.000 1.069 326 N CA 1.025 54.078 53.050 0.004 0.000 0.831 326 N CB -1.210 37.279 38.487 0.004 0.000 1.142 326 N HN 0.760 nan 8.380 nan 0.000 0.573 327 Q N 1.116 120.922 119.800 0.011 0.000 2.300 327 Q HA 0.252 4.590 4.340 -0.004 0.000 0.280 327 Q C 0.287 176.294 176.000 0.012 0.000 1.033 327 Q CA -0.225 55.586 55.803 0.015 0.000 0.903 327 Q CB 0.791 29.542 28.738 0.022 0.000 1.195 327 Q HN 0.242 nan 8.270 nan 0.000 0.386 328 V N 2.990 122.911 119.914 0.012 0.000 2.488 328 V HA 0.304 4.422 4.120 -0.004 0.000 0.277 328 V C 0.405 176.509 176.094 0.017 0.000 1.046 328 V CA 0.054 62.360 62.300 0.010 0.000 0.986 328 V CB 1.070 32.898 31.823 0.009 0.000 0.989 328 V HN 0.738 nan 8.190 nan 0.000 0.475 329 V N 1.662 121.589 119.914 0.021 0.000 3.398 329 V HA 0.881 4.998 4.120 -0.004 0.000 0.298 329 V C 0.720 176.843 176.094 0.048 0.000 1.496 329 V CA 0.646 62.965 62.300 0.033 0.000 1.044 329 V CB -0.466 31.379 31.823 0.036 0.000 0.880 329 V HN 1.529 nan 8.190 nan 0.000 0.443 330 G N -0.387 108.440 108.800 0.045 0.000 2.364 330 G HA2 0.530 4.487 3.960 -0.004 0.000 0.286 330 G HA3 0.530 4.487 3.960 -0.004 0.000 0.286 330 G C -1.277 173.652 174.900 0.047 0.000 1.241 330 G CA 0.261 45.401 45.100 0.067 0.000 0.887 330 G HN 0.149 nan 8.290 nan 0.000 0.484 331 T N 0.623 115.217 114.554 0.066 0.000 2.971 331 T HA 0.548 4.896 4.350 -0.004 0.000 0.304 331 T C -0.471 174.242 174.700 0.022 0.000 1.038 331 T CA -0.264 61.853 62.100 0.028 0.000 1.007 331 T CB 1.392 70.274 68.868 0.024 0.000 1.055 331 T HN 0.512 nan 8.240 nan 0.000 0.451 332 I N 3.301 123.820 120.570 -0.084 0.000 2.342 332 I HA 0.317 4.485 4.170 -0.004 0.000 0.291 332 I C 0.220 176.186 176.117 -0.251 0.000 1.010 332 I CA -0.559 60.591 61.300 -0.249 0.000 1.308 332 I CB 0.834 38.476 38.000 -0.597 0.000 1.400 332 I HN 0.550 nan 8.210 nan 0.000 0.488 333 N N 6.223 124.779 118.700 -0.240 0.000 2.437 333 N HA 0.408 5.146 4.740 -0.004 0.000 0.259 333 N C -1.247 174.089 175.510 -0.291 0.000 0.983 333 N CA -0.502 52.455 53.050 -0.155 0.000 0.937 333 N CB 1.003 39.460 38.487 -0.050 0.000 1.122 333 N HN 0.326 nan 8.380 nan 0.000 0.499 334 F N 1.632 121.588 119.950 0.011 0.000 2.410 334 F HA 0.316 4.841 4.527 -0.005 0.000 0.349 334 F C 0.729 176.548 175.800 0.031 0.000 1.117 334 F CA -0.530 57.484 58.000 0.022 0.000 1.104 334 F CB 1.058 40.060 39.000 0.002 0.000 1.122 334 F HN 0.183 nan 8.300 nan 0.000 0.483 335 Q N 3.352 123.266 119.800 0.190 0.000 2.377 335 Q HA 0.669 5.007 4.340 -0.004 0.000 0.271 335 Q C -1.639 174.428 176.000 0.113 0.000 1.077 335 Q CA -1.284 54.592 55.803 0.121 0.000 0.820 335 Q CB 3.293 32.076 28.738 0.075 0.000 1.347 335 Q HN 0.452 nan 8.270 nan 0.000 0.444 336 L N 2.385 123.660 121.223 0.086 0.000 2.438 336 L HA 0.309 4.646 4.340 -0.004 0.000 0.270 336 L C -1.333 175.569 176.870 0.054 0.000 0.972 336 L CA 0.087 54.969 54.840 0.071 0.000 0.831 336 L CB 1.522 43.623 42.059 0.071 0.000 1.273 336 L HN 0.614 nan 8.230 nan 0.000 0.405 337 D N 4.421 124.847 120.400 0.045 0.000 2.737 337 D HA -0.179 4.459 4.640 -0.004 0.000 0.238 337 D C 1.183 177.503 176.300 0.033 0.000 1.157 337 D CA 1.421 55.441 54.000 0.035 0.000 0.694 337 D CB -0.953 39.866 40.800 0.032 0.000 1.021 337 D HN 1.181 nan 8.370 nan 0.000 0.420 338 G N -0.682 108.138 108.800 0.033 0.000 2.205 338 G HA2 -0.399 3.558 3.960 -0.004 0.000 0.269 338 G HA3 -0.399 3.558 3.960 -0.004 0.000 0.269 338 G C 0.434 175.351 174.900 0.029 0.000 0.977 338 G CA 1.201 46.318 45.100 0.027 0.000 0.652 338 G HN 0.583 nan 8.290 nan 0.000 0.539 339 K N 0.874 121.296 120.400 0.037 0.000 2.292 339 K HA 0.634 4.951 4.320 -0.004 0.000 0.257 339 K C 0.185 176.815 176.600 0.051 0.000 0.940 339 K CA -0.369 55.941 56.287 0.039 0.000 0.811 339 K CB 1.065 33.588 32.500 0.038 0.000 1.120 339 K HN -0.023 nan 8.250 nan 0.000 0.428 340 T N 5.219 119.801 114.554 0.047 0.000 2.834 340 T HA 0.156 4.503 4.350 -0.004 0.000 0.298 340 T C 1.321 176.064 174.700 0.070 0.000 0.966 340 T CA -0.016 62.121 62.100 0.061 0.000 1.141 340 T CB -0.056 68.840 68.868 0.046 0.000 0.905 340 T HN 0.646 nan 8.240 nan 0.000 0.535 341 I N -0.238 120.389 120.570 0.096 0.000 3.790 341 I HA 0.476 4.643 4.170 -0.004 0.000 0.305 341 I C 0.320 176.487 176.117 0.085 0.000 1.253 341 I CA 0.054 61.405 61.300 0.084 0.000 1.355 341 I CB 0.450 38.499 38.000 0.083 0.000 1.137 341 I HN 0.288 nan 8.210 nan 0.000 0.435 342 E N 1.835 122.114 120.200 0.131 0.000 2.356 342 E HA 0.507 4.855 4.350 -0.004 0.000 0.275 342 E C -1.384 175.335 176.600 0.198 0.000 0.904 342 E CA -0.469 56.009 56.400 0.130 0.000 0.757 342 E CB 2.519 32.269 29.700 0.084 0.000 1.232 342 E HN 0.264 nan 8.360 nan 0.000 0.442 343 Q N 1.471 121.353 119.800 0.136 0.000 2.365 343 Q HA 0.596 4.933 4.340 -0.004 0.000 0.269 343 Q C -0.502 175.563 176.000 0.109 0.000 1.061 343 Q CA -1.030 54.843 55.803 0.116 0.000 0.816 343 Q CB 2.468 31.239 28.738 0.056 0.000 1.325 343 Q HN 0.130 nan 8.270 nan 0.000 0.446 344 R N 1.192 121.749 120.500 0.095 0.000 2.725 344 R HA 0.508 4.846 4.340 -0.004 0.000 0.277 344 R C -2.798 173.503 176.300 0.001 0.000 0.987 344 R CA -2.428 53.706 56.100 0.057 0.000 0.901 344 R CB 1.154 31.514 30.300 0.100 0.000 1.207 344 R HN 0.416 nan 8.270 nan 0.000 0.463 345 P HA 0.070 nan 4.420 nan 0.000 0.267 345 P C -0.509 176.769 177.300 -0.037 0.000 1.205 345 P CA -0.412 62.681 63.100 -0.013 0.000 0.765 345 P CB 0.449 32.145 31.700 -0.006 0.000 0.828 346 L N 6.387 127.589 121.223 -0.035 0.000 2.276 346 L HA 0.495 4.833 4.340 -0.004 0.000 0.286 346 L C -0.398 176.456 176.870 -0.027 0.000 1.061 346 L CA -0.318 54.490 54.840 -0.053 0.000 0.807 346 L CB 0.738 42.775 42.059 -0.038 0.000 1.177 346 L HN 0.236 nan 8.230 nan 0.000 0.429 347 V N 3.191 123.087 119.914 -0.030 0.000 3.102 347 V HA 0.659 4.777 4.120 -0.004 0.000 0.312 347 V C -0.537 175.549 176.094 -0.012 0.000 1.135 347 V CA -0.935 61.356 62.300 -0.014 0.000 1.022 347 V CB 1.858 33.675 31.823 -0.010 0.000 1.056 347 V HN 0.407 nan 8.190 nan 0.000 0.436 348 V N 3.127 123.040 119.914 -0.002 0.000 2.508 348 V HA 0.206 4.323 4.120 -0.004 0.000 0.281 348 V C 1.227 177.321 176.094 -0.001 0.000 1.041 348 V CA 0.083 62.383 62.300 -0.000 0.000 1.016 348 V CB 0.845 32.675 31.823 0.011 0.000 0.984 348 V HN 0.867 nan 8.190 nan 0.000 0.478 349 L N 3.547 124.768 121.223 -0.004 0.000 2.341 349 L HA 0.150 4.487 4.340 -0.004 0.000 0.214 349 L C 0.756 177.625 176.870 -0.000 0.000 1.115 349 L CA 0.880 55.718 54.840 -0.003 0.000 0.820 349 L CB 0.012 42.069 42.059 -0.004 0.000 0.944 349 L HN 0.672 nan 8.230 nan 0.000 0.452 350 Q N 0.202 120.003 119.800 0.000 0.000 2.285 350 Q HA 0.186 4.523 4.340 -0.004 0.000 0.269 350 Q C -0.769 175.235 176.000 0.006 0.000 1.030 350 Q CA -0.414 55.390 55.803 0.002 0.000 0.788 350 Q CB 2.447 31.184 28.738 -0.001 0.000 1.266 350 Q HN 0.115 nan 8.270 nan 0.000 0.438 351 E N 3.707 123.913 120.200 0.010 0.000 2.442 351 E HA 0.054 4.402 4.350 -0.004 0.000 0.262 351 E C -0.634 175.977 176.600 0.018 0.000 1.004 351 E CA 0.139 56.548 56.400 0.016 0.000 0.928 351 E CB 0.587 30.297 29.700 0.016 0.000 0.937 351 E HN 0.375 nan 8.360 nan 0.000 0.446 352 I N 4.621 125.207 120.570 0.027 0.000 2.437 352 I HA 0.272 4.440 4.170 -0.004 0.000 0.279 352 I C -2.362 173.782 176.117 0.045 0.000 1.028 352 I CA -2.622 58.697 61.300 0.032 0.000 1.142 352 I CB 0.645 38.665 38.000 0.033 0.000 1.266 352 I HN 0.456 nan 8.210 nan 0.000 0.461 353 P HA 0.178 nan 4.420 nan 0.000 0.274 353 P C -0.086 177.249 177.300 0.058 0.000 1.246 353 P CA -0.391 62.734 63.100 0.042 0.000 0.795 353 P CB 0.750 32.468 31.700 0.030 0.000 1.006 354 E N 0.024 120.261 120.200 0.062 0.000 2.398 354 E HA 0.200 4.548 4.350 -0.004 0.000 0.263 354 E C 1.064 177.704 176.600 0.066 0.000 1.046 354 E CA -0.134 56.315 56.400 0.081 0.000 0.908 354 E CB 0.239 29.974 29.700 0.059 0.000 0.963 354 E HN 0.511 nan 8.360 nan 0.000 0.431 355 G N 0.000 108.849 108.800 0.082 0.000 5.446 355 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 355 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 355 G CA 0.000 45.135 45.100 0.058 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925