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 1khd_1_A DATA FIRST_RESID 12 DATA SEQUENCE THQPILEKLF KSQSMTQEES HQLFAAIVRG ELEDSQLAAA LISMKMRGER DATA SEQUENCE PEEIAGAASA LLADAQPFPR PDYDFADIVG TGGDGTNSIN ISTASAFVAA DATA SEQUENCE SCGAKVAKHG NRXXXXXXXX XCDLLQAFGI RLDMSAEDSR QALDDLNVCF DATA SEQUENCE LFAPQYHTGF RHAMPVRQQL KTRTIFNVLG PLINPARPPK ALIGVYSPEL DATA SEQUENCE VLPIAQALKV LGYKNAAVVH GGGMDEVAIH TPTQVAELNN GEIESYQLSP DATA SEQUENCE QDFGLQSYSL NALQGGTPEE NRDILARLLQ GKGDAAHARQ VAANVALLLK DATA SEQUENCE LFGQDNLRHN AQLALETIRS GTAFERVTAL AAR 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 12 T HA 0.000 nan 4.350 nan 0.000 0.228 12 T C 0.000 174.411 174.700 -0.482 0.000 1.109 12 T CA 0.000 61.878 62.100 -0.370 0.000 1.349 12 T CB 0.000 68.766 68.868 -0.170 0.000 0.612 13 H N 2.423 121.466 119.070 -0.045 0.000 2.469 13 H HA 0.160 4.716 4.556 -0.000 0.000 0.286 13 H C 1.700 176.976 175.328 -0.087 0.000 1.106 13 H CA -0.165 55.847 56.048 -0.060 0.000 1.055 13 H CB 1.139 30.861 29.762 -0.066 0.000 1.618 13 H HN 0.712 nan 8.280 nan 0.000 0.559 14 Q N 2.065 121.850 119.800 -0.026 0.000 2.077 14 Q HA -0.074 4.266 4.340 -0.000 0.000 0.206 14 Q C -0.844 175.106 176.000 -0.083 0.000 0.989 14 Q CA 1.651 57.422 55.803 -0.054 0.000 0.853 14 Q CB -0.723 27.993 28.738 -0.037 0.000 0.907 14 Q HN 0.298 nan 8.270 nan 0.000 0.418 15 P HA -0.138 nan 4.420 nan 0.000 0.216 15 P C 0.867 178.120 177.300 -0.078 0.000 1.150 15 P CA 1.296 64.364 63.100 -0.053 0.000 0.837 15 P CB -0.070 31.614 31.700 -0.027 0.000 0.786 16 I N -1.730 118.803 120.570 -0.062 0.000 2.286 16 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 16 I C 2.227 178.224 176.117 -0.200 0.000 1.104 16 I CA 1.159 62.409 61.300 -0.082 0.000 1.397 16 I CB -0.512 37.469 38.000 -0.031 0.000 1.072 16 I HN -0.082 nan 8.210 nan 0.000 0.417 17 L N 0.201 121.250 121.223 -0.290 0.000 2.027 17 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 17 L C 2.661 178.901 176.870 -1.050 0.000 1.074 17 L CA 1.193 55.640 54.840 -0.655 0.000 0.745 17 L CB -0.631 41.082 42.059 -0.576 0.000 0.898 17 L HN 0.217 nan 8.230 nan 0.000 0.433 18 E N 0.337 120.184 120.200 -0.588 0.000 2.118 18 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 18 E C 2.046 178.531 176.600 -0.192 0.000 0.992 18 E CA 1.158 57.361 56.400 -0.329 0.000 0.804 18 E CB -0.136 29.505 29.700 -0.097 0.000 0.741 18 E HN 0.403 nan 8.360 nan 0.000 0.458 19 K N 0.727 121.021 120.400 -0.177 0.000 2.057 19 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 19 K C 2.331 178.893 176.600 -0.062 0.000 1.049 19 K CA 0.713 56.951 56.287 -0.083 0.000 0.931 19 K CB -0.067 32.393 32.500 -0.067 0.000 0.714 19 K HN 0.052 nan 8.250 nan 0.000 0.440 20 L N 0.109 121.249 121.223 -0.139 0.000 2.046 20 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 20 L C 2.243 179.200 176.870 0.146 0.000 1.077 20 L CA 1.284 56.105 54.840 -0.032 0.000 0.747 20 L CB -0.406 41.607 42.059 -0.076 0.000 0.896 20 L HN 0.234 nan 8.230 nan 0.000 0.432 21 F N 0.168 120.125 119.950 0.012 0.000 2.333 21 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 21 F C 2.101 177.906 175.800 0.009 0.000 1.083 21 F CA 0.520 58.526 58.000 0.010 0.000 1.395 21 F CB -0.151 38.854 39.000 0.008 0.000 1.056 21 F HN 0.049 nan 8.300 nan 0.000 0.529 22 K N 0.159 120.665 120.400 0.177 0.000 2.458 22 K HA 0.033 4.353 4.320 -0.000 0.000 0.194 22 K C 0.823 177.468 176.600 0.075 0.000 1.024 22 K CA 0.290 56.639 56.287 0.102 0.000 1.108 22 K CB 0.279 32.818 32.500 0.064 0.000 0.846 22 K HN 0.008 nan 8.250 nan 0.000 0.518 23 S N 1.362 117.114 115.700 0.087 0.000 3.812 23 S HA -0.171 4.299 4.470 -0.000 0.000 0.341 23 S C -0.655 173.970 174.600 0.042 0.000 1.057 23 S CA 0.464 58.703 58.200 0.064 0.000 1.015 23 S CB -1.051 62.180 63.200 0.051 0.000 0.893 23 S HN 0.451 nan 8.310 nan 0.000 0.476 24 Q N 1.487 121.309 119.800 0.035 0.000 2.342 24 Q HA 0.574 4.914 4.340 -0.000 0.000 0.267 24 Q C 0.078 176.087 176.000 0.016 0.000 1.038 24 Q CA -0.229 55.586 55.803 0.020 0.000 0.832 24 Q CB 1.974 30.720 28.738 0.013 0.000 1.323 24 Q HN 0.599 nan 8.270 nan 0.000 0.448 25 S N 2.054 117.761 115.700 0.012 0.000 2.584 25 S HA 0.465 4.935 4.470 -0.000 0.000 0.273 25 S C 0.124 174.729 174.600 0.008 0.000 1.311 25 S CA -0.650 57.557 58.200 0.011 0.000 1.034 25 S CB 0.638 63.842 63.200 0.006 0.000 0.939 25 S HN 0.505 nan 8.310 nan 0.000 0.513 26 M N 2.777 122.384 119.600 0.012 0.000 2.291 26 M HA 0.279 4.759 4.480 -0.000 0.000 0.324 26 M C 0.962 177.269 176.300 0.013 0.000 1.148 26 M CA -0.617 54.691 55.300 0.014 0.000 1.104 26 M CB 1.149 33.766 32.600 0.028 0.000 1.483 26 M HN 0.947 nan 8.290 nan 0.000 0.467 27 T N -1.897 112.665 114.554 0.013 0.000 2.788 27 T HA 0.075 4.425 4.350 -0.000 0.000 0.287 27 T C 0.770 175.483 174.700 0.020 0.000 1.007 27 T CA -0.575 61.532 62.100 0.012 0.000 1.005 27 T CB 1.019 69.894 68.868 0.010 0.000 1.012 27 T HN 0.808 nan 8.240 nan 0.000 0.530 28 Q N -0.116 119.694 119.800 0.018 0.000 2.084 28 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 28 Q C 2.200 178.239 176.000 0.064 0.000 0.978 28 Q CA 1.889 57.709 55.803 0.030 0.000 0.844 28 Q CB -0.172 28.580 28.738 0.023 0.000 0.898 28 Q HN 0.922 nan 8.270 nan 0.000 0.426 29 E N 0.130 120.356 120.200 0.044 0.000 2.077 29 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 29 E C 1.714 178.352 176.600 0.063 0.000 0.989 29 E CA 1.442 57.864 56.400 0.037 0.000 0.800 29 E CB 0.059 29.760 29.700 0.002 0.000 0.746 29 E HN 0.453 nan 8.360 nan 0.000 0.452 30 E N -0.074 120.156 120.200 0.049 0.000 2.072 30 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 30 E C 2.141 178.783 176.600 0.070 0.000 0.985 30 E CA 1.032 57.459 56.400 0.046 0.000 0.801 30 E CB -0.100 29.616 29.700 0.027 0.000 0.750 30 E HN 0.096 nan 8.360 nan 0.000 0.452 31 S N -0.156 115.601 115.700 0.095 0.000 2.368 31 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 31 S C 1.922 176.655 174.600 0.221 0.000 1.030 31 S CA 1.564 59.859 58.200 0.159 0.000 0.999 31 S CB -0.246 63.002 63.200 0.080 0.000 0.844 31 S HN 0.415 nan 8.310 nan 0.000 0.459 32 H N 0.385 119.491 119.070 0.061 0.000 2.319 32 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 32 H C 2.416 177.775 175.328 0.051 0.000 1.092 32 H CA 2.114 58.197 56.048 0.059 0.000 1.302 32 H CB -0.232 29.547 29.762 0.028 0.000 1.373 32 H HN 0.496 nan 8.280 nan 0.000 0.497 33 Q N -0.090 119.845 119.800 0.224 0.000 2.061 33 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 33 Q C 2.347 178.254 176.000 -0.155 0.000 0.984 33 Q CA 1.729 57.577 55.803 0.075 0.000 0.846 33 Q CB -0.119 28.644 28.738 0.042 0.000 0.902 33 Q HN 0.496 nan 8.270 nan 0.000 0.421 34 L N -0.114 120.989 121.223 -0.200 0.000 2.017 34 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 34 L C 1.895 178.565 176.870 -0.333 0.000 1.073 34 L CA 1.748 56.347 54.840 -0.403 0.000 0.745 34 L CB -0.573 41.316 42.059 -0.283 0.000 0.894 34 L HN 0.244 nan 8.230 nan 0.000 0.432 35 F N -0.488 119.383 119.950 -0.131 0.000 2.407 35 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 35 F C 2.391 178.163 175.800 -0.047 0.000 1.097 35 F CA 0.866 58.812 58.000 -0.090 0.000 1.422 35 F CB -0.876 38.043 39.000 -0.134 0.000 1.067 35 F HN 0.182 nan 8.300 nan 0.000 0.539 36 A N 0.087 122.960 122.820 0.088 0.000 1.902 36 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 36 A C 2.440 180.059 177.584 0.059 0.000 1.181 36 A CA 1.697 53.791 52.037 0.096 0.000 0.623 36 A CB -1.206 17.891 19.000 0.162 0.000 0.818 36 A HN 0.284 nan 8.150 nan 0.000 0.443 37 A N -0.130 122.682 122.820 -0.013 0.000 1.898 37 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 37 A C 2.125 179.689 177.584 -0.033 0.000 1.181 37 A CA 1.444 53.480 52.037 -0.002 0.000 0.620 37 A CB -0.574 18.426 19.000 -0.000 0.000 0.819 37 A HN 0.497 nan 8.150 nan 0.000 0.442 38 I N 0.345 120.870 120.570 -0.075 0.000 2.142 38 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 38 I C 2.214 178.359 176.117 0.046 0.000 1.078 38 I CA 1.733 63.002 61.300 -0.051 0.000 1.343 38 I CB -0.286 37.648 38.000 -0.110 0.000 1.046 38 I HN 0.310 nan 8.210 nan 0.000 0.405 39 V N -1.668 118.331 119.914 0.141 0.000 3.541 39 V HA -0.002 4.118 4.120 -0.000 0.000 0.272 39 V C 1.653 177.890 176.094 0.239 0.000 1.215 39 V CA 0.958 63.402 62.300 0.241 0.000 1.176 39 V CB -1.025 30.967 31.823 0.280 0.000 0.854 39 V HN 0.347 nan 8.190 nan 0.000 0.496 40 R N 0.427 120.951 120.500 0.040 0.000 2.437 40 R HA 0.401 4.741 4.340 -0.000 0.000 0.257 40 R C 1.507 177.576 176.300 -0.386 0.000 0.927 40 R CA 0.427 56.495 56.100 -0.054 0.000 1.078 40 R CB 0.762 31.067 30.300 0.009 0.000 1.161 40 R HN 0.658 nan 8.270 nan 0.000 0.529 41 G N 1.914 110.382 108.800 -0.553 0.000 2.221 41 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.265 41 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.265 41 G C 0.328 175.077 174.900 -0.251 0.000 1.041 41 G CA 0.468 45.205 45.100 -0.607 0.000 0.807 41 G HN 0.454 nan 8.290 nan 0.000 0.502 42 E N -1.335 118.781 120.200 -0.140 0.000 2.447 42 E HA 0.255 4.605 4.350 -0.000 0.000 0.195 42 E C 0.782 177.363 176.600 -0.032 0.000 1.028 42 E CA -0.087 56.276 56.400 -0.061 0.000 0.876 42 E CB 0.433 30.128 29.700 -0.008 0.000 0.885 42 E HN 0.439 nan 8.360 nan 0.000 0.500 43 L N 1.746 122.944 121.223 -0.042 0.000 2.343 43 L HA 0.141 4.481 4.340 -0.000 0.000 0.275 43 L C 0.539 177.395 176.870 -0.023 0.000 1.056 43 L CA -0.266 54.561 54.840 -0.021 0.000 0.804 43 L CB 1.080 43.120 42.059 -0.032 0.000 1.203 43 L HN -0.116 nan 8.230 nan 0.000 0.440 44 E N 1.100 121.295 120.200 -0.007 0.000 2.392 44 E HA -0.004 4.346 4.350 -0.000 0.000 0.259 44 E C 0.102 176.699 176.600 -0.004 0.000 1.108 44 E CA -0.254 56.143 56.400 -0.005 0.000 0.916 44 E CB 0.733 30.435 29.700 0.004 0.000 0.989 44 E HN 0.495 nan 8.360 nan 0.000 0.432 45 D N 0.807 121.203 120.400 -0.005 0.000 2.133 45 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 45 D C 1.928 178.230 176.300 0.004 0.000 0.997 45 D CA 1.988 55.984 54.000 -0.006 0.000 0.840 45 D CB -0.205 40.590 40.800 -0.007 0.000 0.947 45 D HN 0.449 nan 8.370 nan 0.000 0.452 46 S N 0.297 116.003 115.700 0.009 0.000 2.359 46 S HA -0.245 4.225 4.470 -0.000 0.000 0.224 46 S C 1.919 176.544 174.600 0.042 0.000 1.035 46 S CA 1.080 59.291 58.200 0.017 0.000 1.018 46 S CB -0.580 62.629 63.200 0.016 0.000 0.876 46 S HN 0.333 nan 8.310 nan 0.000 0.448 47 Q N 0.436 120.265 119.800 0.048 0.000 2.119 47 Q HA 0.031 4.371 4.340 -0.000 0.000 0.201 47 Q C 2.290 178.321 176.000 0.052 0.000 0.972 47 Q CA 1.297 57.144 55.803 0.074 0.000 0.847 47 Q CB -0.417 28.350 28.738 0.049 0.000 0.903 47 Q HN 0.522 nan 8.270 nan 0.000 0.433 48 L N 0.778 122.010 121.223 0.016 0.000 2.027 48 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 48 L C 2.180 179.070 176.870 0.032 0.000 1.074 48 L CA 2.096 56.935 54.840 -0.001 0.000 0.745 48 L CB -0.904 41.146 42.059 -0.014 0.000 0.898 48 L HN 0.111 nan 8.230 nan 0.000 0.433 49 A N -0.295 122.546 122.820 0.034 0.000 1.902 49 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 49 A C 2.465 180.086 177.584 0.062 0.000 1.181 49 A CA 1.946 54.007 52.037 0.040 0.000 0.623 49 A CB -1.254 17.757 19.000 0.019 0.000 0.818 49 A HN 0.601 nan 8.150 nan 0.000 0.443 50 A N -0.190 122.679 122.820 0.082 0.000 1.908 50 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 50 A C 2.502 180.228 177.584 0.237 0.000 1.181 50 A CA 2.216 54.336 52.037 0.139 0.000 0.627 50 A CB -0.988 18.143 19.000 0.219 0.000 0.818 50 A HN 1.048 nan 8.150 nan 0.000 0.445 51 A N -0.255 122.668 122.820 0.171 0.000 1.873 51 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 51 A C 2.174 179.822 177.584 0.106 0.000 1.186 51 A CA 1.439 53.539 52.037 0.107 0.000 0.616 51 A CB -0.613 18.365 19.000 -0.036 0.000 0.823 51 A HN 0.464 nan 8.150 nan 0.000 0.442 52 L N -0.316 120.969 121.223 0.104 0.000 2.046 52 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 52 L C 2.387 179.327 176.870 0.117 0.000 1.077 52 L CA 0.791 55.714 54.840 0.138 0.000 0.747 52 L CB -0.503 41.655 42.059 0.165 0.000 0.896 52 L HN 0.314 nan 8.230 nan 0.000 0.432 53 I N -0.038 120.590 120.570 0.098 0.000 2.353 53 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 53 I C 2.854 179.021 176.117 0.083 0.000 1.119 53 I CA 1.672 63.017 61.300 0.075 0.000 1.417 53 I CB -1.073 36.955 38.000 0.046 0.000 1.078 53 I HN 0.350 nan 8.210 nan 0.000 0.421 54 S N 0.800 116.571 115.700 0.119 0.000 2.382 54 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 54 S C 2.030 176.696 174.600 0.111 0.000 1.027 54 S CA 1.007 59.291 58.200 0.141 0.000 0.991 54 S CB -0.518 62.844 63.200 0.271 0.000 0.823 54 S HN 0.358 nan 8.310 nan 0.000 0.469 55 M N 1.381 121.046 119.600 0.108 0.000 2.200 55 M HA 0.010 4.490 4.480 -0.000 0.000 0.265 55 M C 2.553 178.896 176.300 0.071 0.000 1.066 55 M CA 1.486 56.839 55.300 0.089 0.000 1.127 55 M CB -0.335 32.330 32.600 0.108 0.000 1.379 55 M HN 0.380 nan 8.290 nan 0.000 0.420 56 K N 1.024 121.471 120.400 0.077 0.000 2.002 56 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 56 K C 1.839 178.470 176.600 0.052 0.000 1.048 56 K CA 1.598 57.925 56.287 0.067 0.000 0.930 56 K CB -0.073 32.470 32.500 0.072 0.000 0.714 56 K HN 0.275 nan 8.250 nan 0.000 0.438 57 M N 0.122 119.752 119.600 0.050 0.000 2.229 57 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 57 M C 2.412 178.734 176.300 0.036 0.000 1.063 57 M CA 1.445 56.769 55.300 0.039 0.000 1.114 57 M CB -0.150 32.471 32.600 0.036 0.000 1.387 57 M HN 0.186 nan 8.290 nan 0.000 0.420 58 R N 0.588 121.113 120.500 0.041 0.000 2.080 58 R HA 0.083 4.423 4.340 -0.000 0.000 0.222 58 R C 0.096 176.410 176.300 0.024 0.000 1.107 58 R CA 1.202 57.322 56.100 0.034 0.000 0.980 58 R CB 0.276 30.600 30.300 0.040 0.000 0.879 58 R HN 0.363 nan 8.270 nan 0.000 0.439 59 G N 1.822 110.637 108.800 0.025 0.000 3.373 59 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.685 59 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.685 59 G C -1.428 173.474 174.900 0.004 0.000 1.166 59 G CA -0.580 44.528 45.100 0.012 0.000 1.063 59 G HN 0.318 nan 8.290 nan 0.000 0.481 60 E N 2.133 122.332 120.200 -0.001 0.000 2.414 60 E HA 0.370 4.720 4.350 -0.000 0.000 0.263 60 E C 1.073 177.653 176.600 -0.034 0.000 1.000 60 E CA 0.079 56.469 56.400 -0.017 0.000 0.914 60 E CB 0.637 30.317 29.700 -0.033 0.000 0.948 60 E HN 0.482 nan 8.360 nan 0.000 0.444 61 R N 3.688 124.168 120.500 -0.034 0.000 2.532 61 R HA 0.206 4.546 4.340 -0.000 0.000 0.272 61 R C -1.759 174.507 176.300 -0.057 0.000 1.032 61 R CA -2.222 53.855 56.100 -0.039 0.000 1.089 61 R CB -0.246 30.039 30.300 -0.026 0.000 1.098 61 R HN 0.349 nan 8.270 nan 0.000 0.526 62 P HA -0.204 nan 4.420 nan 0.000 0.216 62 P C 1.061 178.323 177.300 -0.063 0.000 1.153 62 P CA 1.402 64.462 63.100 -0.066 0.000 0.858 62 P CB 0.224 31.890 31.700 -0.056 0.000 0.789 63 E N 0.563 120.735 120.200 -0.046 0.000 2.150 63 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 63 E C 1.582 178.154 176.600 -0.047 0.000 0.985 63 E CA 1.381 57.760 56.400 -0.036 0.000 0.814 63 E CB -0.941 28.747 29.700 -0.019 0.000 0.752 63 E HN 0.379 nan 8.360 nan 0.000 0.466 64 E N 0.768 120.934 120.200 -0.056 0.000 2.107 64 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 64 E C 2.374 178.875 176.600 -0.166 0.000 0.982 64 E CA 0.827 57.184 56.400 -0.072 0.000 0.809 64 E CB -0.107 29.567 29.700 -0.044 0.000 0.756 64 E HN 0.286 nan 8.360 nan 0.000 0.459 65 I N 1.293 121.764 120.570 -0.166 0.000 2.226 65 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 65 I C 2.538 178.525 176.117 -0.218 0.000 1.100 65 I CA 0.977 62.142 61.300 -0.226 0.000 1.374 65 I CB -0.269 37.629 38.000 -0.170 0.000 1.057 65 I HN 0.072 nan 8.210 nan 0.000 0.413 66 A N 0.816 123.552 122.820 -0.140 0.000 1.969 66 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 66 A C 2.410 179.933 177.584 -0.101 0.000 1.169 66 A CA 1.685 53.662 52.037 -0.100 0.000 0.635 66 A CB -1.263 17.706 19.000 -0.051 0.000 0.810 66 A HN 0.463 nan 8.150 nan 0.000 0.445 67 G N -0.436 108.303 108.800 -0.101 0.000 2.402 67 G HA2 0.033 3.993 3.960 -0.000 0.000 0.216 67 G HA3 0.033 3.993 3.960 -0.000 0.000 0.216 67 G C 1.735 176.519 174.900 -0.193 0.000 1.162 67 G CA 1.311 46.375 45.100 -0.059 0.000 0.777 67 G HN 0.741 nan 8.290 nan 0.000 0.539 68 A N 1.145 123.737 122.820 -0.380 0.000 1.898 68 A HA 0.320 4.640 4.320 -0.000 0.000 0.216 68 A C 2.803 180.134 177.584 -0.423 0.000 1.181 68 A CA 2.149 53.781 52.037 -0.674 0.000 0.620 68 A CB -0.758 17.309 19.000 -1.554 0.000 0.819 68 A HN 0.747 nan 8.150 nan 0.000 0.442 69 A N -0.478 122.150 122.820 -0.319 0.000 1.902 69 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 69 A C 2.421 179.921 177.584 -0.140 0.000 1.181 69 A CA 2.027 53.950 52.037 -0.190 0.000 0.623 69 A CB -0.859 18.059 19.000 -0.137 0.000 0.818 69 A HN 0.445 nan 8.150 nan 0.000 0.443 70 S N -0.053 115.553 115.700 -0.156 0.000 2.383 70 S HA -0.075 4.395 4.470 -0.000 0.000 0.229 70 S C 2.271 176.685 174.600 -0.309 0.000 1.030 70 S CA 1.203 59.326 58.200 -0.128 0.000 1.002 70 S CB -0.448 62.756 63.200 0.006 0.000 0.829 70 S HN 0.803 nan 8.310 nan 0.000 0.467 71 A N 1.203 123.671 122.820 -0.587 0.000 1.902 71 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 71 A C 2.123 179.649 177.584 -0.097 0.000 1.181 71 A CA 1.086 52.800 52.037 -0.537 0.000 0.623 71 A CB -0.637 18.156 19.000 -0.344 0.000 0.818 71 A HN 0.445 nan 8.150 nan 0.000 0.443 72 L N -0.799 120.412 121.223 -0.021 0.000 2.056 72 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 72 L C 2.495 179.477 176.870 0.186 0.000 1.078 72 L CA 0.886 55.806 54.840 0.135 0.000 0.749 72 L CB -0.364 41.767 42.059 0.120 0.000 0.901 72 L HN 0.365 nan 8.230 nan 0.000 0.433 73 L N -0.674 120.610 121.223 0.102 0.000 2.131 73 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 73 L C 2.743 179.672 176.870 0.099 0.000 1.092 73 L CA 0.952 55.861 54.840 0.114 0.000 0.759 73 L CB -0.595 41.498 42.059 0.057 0.000 0.903 73 L HN 0.244 nan 8.230 nan 0.000 0.435 74 A N -0.717 122.159 122.820 0.093 0.000 2.015 74 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 74 A C 1.611 179.262 177.584 0.111 0.000 1.163 74 A CA 1.753 53.860 52.037 0.116 0.000 0.646 74 A CB -0.276 18.830 19.000 0.177 0.000 0.806 74 A HN 0.308 nan 8.150 nan 0.000 0.448 75 D N -0.672 119.802 120.400 0.124 0.000 2.349 75 D HA 0.383 5.023 4.640 -0.000 0.000 0.214 75 D C 0.620 176.985 176.300 0.109 0.000 1.063 75 D CA 0.564 54.638 54.000 0.124 0.000 0.847 75 D CB 0.180 41.070 40.800 0.151 0.000 0.933 75 D HN 0.421 nan 8.370 nan 0.000 0.513 76 A N 0.681 123.558 122.820 0.094 0.000 2.407 76 A HA 0.205 4.525 4.320 -0.000 0.000 0.248 76 A C 0.692 178.286 177.584 0.016 0.000 1.082 76 A CA -0.353 51.677 52.037 -0.012 0.000 0.785 76 A CB 0.427 19.380 19.000 -0.078 0.000 1.020 76 A HN -0.065 nan 8.150 nan 0.000 0.489 77 Q N 1.495 121.302 119.800 0.012 0.000 2.392 77 Q HA 0.247 4.587 4.340 -0.000 0.000 0.262 77 Q C -2.025 174.075 176.000 0.168 0.000 1.003 77 Q CA -1.369 54.466 55.803 0.053 0.000 0.888 77 Q CB 0.045 28.743 28.738 -0.066 0.000 1.260 77 Q HN 0.595 nan 8.270 nan 0.000 0.435 78 P HA 0.214 nan 4.420 nan 0.000 0.272 78 P C -1.019 176.454 177.300 0.288 0.000 1.230 78 P CA -0.103 63.091 63.100 0.156 0.000 0.788 78 P CB 0.514 32.258 31.700 0.073 0.000 0.949 79 F N 2.417 122.408 119.950 0.068 0.000 2.588 79 F HA 0.361 4.888 4.527 -0.000 0.000 0.318 79 F C -2.429 173.363 175.800 -0.013 0.000 1.155 79 F CA -2.371 55.660 58.000 0.051 0.000 0.967 79 F CB 2.033 41.019 39.000 -0.024 0.000 1.236 79 F HN 0.138 nan 8.300 nan 0.000 0.455 80 P HA 0.102 nan 4.420 nan 0.000 0.271 80 P C -0.714 176.368 177.300 -0.364 0.000 1.380 80 P CA -0.141 62.715 63.100 -0.406 0.000 0.992 80 P CB 0.470 31.922 31.700 -0.413 0.000 1.230 81 R N 5.770 126.232 120.500 -0.063 0.000 2.401 81 R HA 0.207 4.547 4.340 -0.000 0.000 0.299 81 R C -1.735 174.471 176.300 -0.156 0.000 1.064 81 R CA -1.223 54.890 56.100 0.021 0.000 1.000 81 R CB 0.262 30.634 30.300 0.119 0.000 0.973 81 R HN 0.354 nan 8.270 nan 0.000 0.438 82 P HA 0.107 nan 4.420 nan 0.000 0.276 82 P C -0.780 176.296 177.300 -0.373 0.000 1.252 82 P CA -0.348 62.407 63.100 -0.575 0.000 0.802 82 P CB 0.913 31.823 31.700 -1.316 0.000 1.035 83 D N -1.079 119.131 120.400 -0.316 0.000 2.354 83 D HA 0.037 4.677 4.640 -0.000 0.000 0.209 83 D C 0.674 176.983 176.300 0.016 0.000 1.015 83 D CA 0.456 54.402 54.000 -0.091 0.000 0.867 83 D CB -0.103 40.679 40.800 -0.031 0.000 0.933 83 D HN 0.494 nan 8.370 nan 0.000 0.520 84 Y N 0.435 120.804 120.300 0.115 0.000 2.299 84 Y HA 0.337 4.887 4.550 0.000 0.000 0.335 84 Y C 0.447 176.505 175.900 0.264 0.000 1.287 84 Y CA -1.271 56.916 58.100 0.146 0.000 1.424 84 Y CB 0.366 38.893 38.460 0.112 0.000 1.326 84 Y HN -0.339 nan 8.280 nan 0.000 0.567 85 D N 2.030 122.733 120.400 0.504 0.000 2.424 85 D HA 0.220 4.860 4.640 -0.000 0.000 0.244 85 D C -0.648 176.054 176.300 0.670 0.000 1.134 85 D CA 0.583 54.823 54.000 0.401 0.000 0.881 85 D CB 0.497 41.434 40.800 0.228 0.000 1.191 85 D HN 0.615 nan 8.370 nan 0.000 0.445 86 F N -0.869 119.220 119.950 0.231 0.000 2.713 86 F HA 0.751 5.278 4.527 -0.000 0.000 0.311 86 F C -1.524 174.365 175.800 0.149 0.000 1.141 86 F CA -1.119 57.069 58.000 0.313 0.000 0.939 86 F CB 1.026 40.223 39.000 0.327 0.000 1.325 86 F HN 0.342 nan 8.300 nan 0.000 0.453 87 A N 0.915 123.899 122.820 0.273 0.000 2.530 87 A HA 0.706 5.026 4.320 -0.000 0.000 0.288 87 A C -2.076 175.592 177.584 0.141 0.000 1.172 87 A CA -0.578 51.496 52.037 0.061 0.000 0.733 87 A CB 1.762 20.842 19.000 0.134 0.000 1.320 87 A HN 0.856 nan 8.150 nan 0.000 0.419 88 D N -0.371 120.077 120.400 0.080 0.000 2.350 88 D HA 0.663 5.303 4.640 -0.000 0.000 0.238 88 D C -1.329 175.025 176.300 0.090 0.000 0.989 88 D CA -0.183 53.873 54.000 0.092 0.000 0.921 88 D CB 1.674 42.519 40.800 0.075 0.000 1.297 88 D HN 0.535 nan 8.370 nan 0.000 0.490 89 I N 2.745 123.367 120.570 0.086 0.000 2.563 89 I HA 0.471 4.641 4.170 -0.000 0.000 0.285 89 I C -1.845 174.316 176.117 0.073 0.000 1.123 89 I CA -0.411 60.933 61.300 0.074 0.000 1.059 89 I CB 1.105 39.150 38.000 0.075 0.000 1.229 89 I HN 0.205 nan 8.210 nan 0.000 0.442 90 V N 5.909 125.858 119.914 0.058 0.000 3.242 90 V HA 0.956 5.076 4.120 -0.000 0.000 0.298 90 V C -0.857 175.264 176.094 0.046 0.000 1.352 90 V CA 0.087 62.425 62.300 0.062 0.000 1.052 90 V CB 2.277 34.140 31.823 0.066 0.000 1.101 90 V HN 0.769 nan 8.190 nan 0.000 0.446 91 G N 0.405 109.238 108.800 0.055 0.000 2.605 91 G HA2 0.512 4.472 3.960 -0.000 0.000 0.296 91 G HA3 0.512 4.472 3.960 -0.000 0.000 0.296 91 G C 0.594 175.539 174.900 0.075 0.000 1.304 91 G CA 0.283 45.418 45.100 0.058 0.000 0.941 91 G HN 1.357 nan 8.290 nan 0.000 0.475 92 T N -1.977 112.638 114.554 0.101 0.000 3.055 92 T HA 0.395 4.745 4.350 -0.000 0.000 0.265 92 T C 1.470 176.270 174.700 0.167 0.000 1.111 92 T CA 1.177 63.367 62.100 0.150 0.000 1.118 92 T CB -0.507 68.499 68.868 0.229 0.000 0.909 92 T HN 2.392 nan 8.240 nan 0.000 0.501 93 G N -0.408 108.481 108.800 0.148 0.000 2.828 93 G HA2 0.329 4.289 3.960 -0.000 0.000 0.463 93 G HA3 0.329 4.289 3.960 -0.000 0.000 0.463 93 G C 0.433 175.418 174.900 0.143 0.000 1.394 93 G CA -0.241 44.928 45.100 0.116 0.000 0.862 93 G HN 1.500 nan 8.290 nan 0.000 0.540 94 G N -1.151 107.692 108.800 0.071 0.000 3.768 94 G HA2 0.248 4.208 3.960 -0.000 0.000 0.214 94 G HA3 0.248 4.208 3.960 -0.000 0.000 0.214 94 G C 0.230 175.131 174.900 0.003 0.000 1.058 94 G CA 0.961 46.065 45.100 0.007 0.000 0.890 94 G HN 1.926 nan 8.290 nan 0.000 0.393 95 D N 1.353 121.783 120.400 0.049 0.000 2.313 95 D HA 0.511 5.151 4.640 -0.000 0.000 0.247 95 D C 1.009 177.317 176.300 0.013 0.000 1.094 95 D CA 0.349 54.370 54.000 0.036 0.000 0.925 95 D CB 1.460 42.289 40.800 0.047 0.000 1.188 95 D HN 0.443 nan 8.370 nan 0.000 0.430 96 G N -0.132 108.672 108.800 0.007 0.000 3.690 96 G HA2 0.034 3.994 3.960 -0.000 0.000 0.283 96 G HA3 0.034 3.994 3.960 -0.000 0.000 0.283 96 G C 1.013 175.913 174.900 -0.001 0.000 1.057 96 G CA 0.213 45.313 45.100 0.000 0.000 0.821 96 G HN 0.646 nan 8.290 nan 0.000 0.526 97 T N -2.463 112.090 114.554 -0.002 0.000 3.107 97 T HA 0.070 4.420 4.350 -0.000 0.000 0.249 97 T C 1.087 175.780 174.700 -0.012 0.000 1.096 97 T CA 0.220 62.316 62.100 -0.008 0.000 1.012 97 T CB -0.175 68.685 68.868 -0.013 0.000 0.977 97 T HN 0.233 nan 8.240 nan 0.000 0.527 98 N N 0.887 119.581 118.700 -0.010 0.000 2.756 98 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 98 N C -0.326 175.169 175.510 -0.025 0.000 1.062 98 N CA 0.741 53.783 53.050 -0.014 0.000 0.696 98 N CB -1.787 36.692 38.487 -0.013 0.000 0.946 98 N HN 0.581 nan 8.380 nan 0.000 0.548 99 S N -0.168 115.514 115.700 -0.030 0.000 2.593 99 S HA 0.459 4.929 4.470 -0.000 0.000 0.269 99 S C 0.982 175.546 174.600 -0.058 0.000 1.334 99 S CA -0.448 57.722 58.200 -0.049 0.000 1.015 99 S CB 0.321 63.490 63.200 -0.052 0.000 0.912 99 S HN 0.407 nan 8.310 nan 0.000 0.541 100 I N 1.848 122.358 120.570 -0.099 0.000 2.754 100 I HA 0.314 4.484 4.170 -0.000 0.000 0.285 100 I C 0.399 176.467 176.117 -0.082 0.000 1.166 100 I CA -0.629 60.601 61.300 -0.117 0.000 1.417 100 I CB 0.217 38.073 38.000 -0.240 0.000 1.382 100 I HN 0.591 nan 8.210 nan 0.000 0.588 101 N N 4.208 122.878 118.700 -0.050 0.000 2.454 101 N HA 0.137 4.877 4.740 -0.000 0.000 0.254 101 N C 0.298 175.795 175.510 -0.022 0.000 1.228 101 N CA -0.012 53.028 53.050 -0.017 0.000 0.900 101 N CB 0.695 39.185 38.487 0.007 0.000 1.089 101 N HN 0.637 nan 8.380 nan 0.000 0.449 102 I N 1.011 121.579 120.570 -0.004 0.000 4.433 102 I HA -0.050 4.120 4.170 -0.000 0.000 0.322 102 I C 1.939 178.071 176.117 0.026 0.000 1.284 102 I CA 0.509 61.808 61.300 -0.001 0.000 1.269 102 I CB -1.103 36.890 38.000 -0.011 0.000 1.219 102 I HN 0.709 nan 8.210 nan 0.000 0.436 103 S N 0.415 116.136 115.700 0.036 0.000 2.383 103 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 103 S C 1.903 176.537 174.600 0.058 0.000 1.026 103 S CA 1.830 60.058 58.200 0.048 0.000 0.981 103 S CB -0.807 62.428 63.200 0.058 0.000 0.818 103 S HN 0.349 nan 8.310 nan 0.000 0.472 104 T N 2.732 117.329 114.554 0.073 0.000 2.737 104 T HA 0.120 4.470 4.350 -0.000 0.000 0.265 104 T C 2.268 177.083 174.700 0.191 0.000 1.038 104 T CA 1.383 63.547 62.100 0.107 0.000 1.144 104 T CB -0.881 68.061 68.868 0.124 0.000 0.866 104 T HN 0.627 nan 8.240 nan 0.000 0.434 105 A N 1.480 124.397 122.820 0.162 0.000 1.908 105 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 105 A C 2.605 180.273 177.584 0.139 0.000 1.181 105 A CA 2.003 54.143 52.037 0.171 0.000 0.627 105 A CB -0.908 18.149 19.000 0.096 0.000 0.818 105 A HN 0.443 nan 8.150 nan 0.000 0.445 106 S N -0.063 115.685 115.700 0.079 0.000 2.368 106 S HA -0.056 4.414 4.470 -0.000 0.000 0.225 106 S C 2.304 176.923 174.600 0.031 0.000 1.030 106 S CA 1.177 59.406 58.200 0.050 0.000 0.999 106 S CB -0.503 62.718 63.200 0.035 0.000 0.844 106 S HN 0.815 nan 8.310 nan 0.000 0.459 107 A N 1.043 123.860 122.820 -0.006 0.000 1.883 107 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 107 A C 1.847 179.326 177.584 -0.174 0.000 1.186 107 A CA 1.489 53.456 52.037 -0.117 0.000 0.624 107 A CB -0.914 17.949 19.000 -0.229 0.000 0.822 107 A HN 0.467 nan 8.150 nan 0.000 0.444 108 F N -0.413 119.534 119.950 -0.005 0.000 2.234 108 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 108 F C 2.387 178.168 175.800 -0.031 0.000 1.087 108 F CA 1.193 59.173 58.000 -0.032 0.000 1.340 108 F CB -0.440 38.520 39.000 -0.067 0.000 1.031 108 F HN 0.023 nan 8.300 nan 0.000 0.500 109 V N -0.320 119.680 119.914 0.143 0.000 2.379 109 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 109 V C 2.556 178.663 176.094 0.021 0.000 1.044 109 V CA 1.667 64.010 62.300 0.072 0.000 1.036 109 V CB -1.262 30.593 31.823 0.054 0.000 0.664 109 V HN 0.326 nan 8.190 nan 0.000 0.453 110 A N 0.114 122.932 122.820 -0.003 0.000 1.902 110 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 110 A C 2.419 179.955 177.584 -0.081 0.000 1.181 110 A CA 1.994 53.998 52.037 -0.054 0.000 0.623 110 A CB -0.772 18.194 19.000 -0.057 0.000 0.818 110 A HN 0.558 nan 8.150 nan 0.000 0.443 111 A N -0.522 122.265 122.820 -0.055 0.000 1.933 111 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 111 A C 2.373 179.939 177.584 -0.030 0.000 1.175 111 A CA 2.005 54.011 52.037 -0.052 0.000 0.628 111 A CB -0.800 18.177 19.000 -0.038 0.000 0.814 111 A HN 0.447 nan 8.150 nan 0.000 0.444 112 S N -1.127 114.574 115.700 0.002 0.000 2.447 112 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 112 S C 1.655 176.240 174.600 -0.025 0.000 1.006 112 S CA 1.262 59.463 58.200 0.002 0.000 0.957 112 S CB -0.556 62.656 63.200 0.020 0.000 0.773 112 S HN 0.732 nan 8.310 nan 0.000 0.507 113 C N 0.329 119.601 119.300 -0.046 0.000 2.514 113 C HA 0.407 4.867 4.460 -0.000 0.000 0.271 113 C C 2.099 177.038 174.990 -0.086 0.000 1.399 113 C CA 0.188 59.169 59.018 -0.063 0.000 1.765 113 C CB -0.978 26.716 27.740 -0.076 0.000 1.893 113 C HN 0.738 nan 8.230 nan 0.000 0.531 114 G N -0.208 108.530 108.800 -0.104 0.000 2.192 114 G HA2 0.054 4.014 3.960 -0.000 0.000 0.193 114 G HA3 0.054 4.014 3.960 -0.000 0.000 0.193 114 G C 0.039 174.824 174.900 -0.192 0.000 0.999 114 G CA 0.009 45.037 45.100 -0.120 0.000 0.659 114 G HN 0.826 nan 8.290 nan 0.000 0.503 115 A N 0.969 123.621 122.820 -0.280 0.000 2.366 115 A HA 0.626 4.946 4.320 -0.000 0.000 0.272 115 A C 0.507 177.953 177.584 -0.230 0.000 1.135 115 A CA -0.165 51.562 52.037 -0.517 0.000 0.804 115 A CB 0.466 18.994 19.000 -0.785 0.000 1.064 115 A HN 0.143 nan 8.150 nan 0.000 0.499 116 K N 2.136 122.508 120.400 -0.047 0.000 2.349 116 K HA 0.343 4.663 4.320 -0.000 0.000 0.288 116 K C -0.914 175.863 176.600 0.296 0.000 1.058 116 K CA -0.017 56.364 56.287 0.157 0.000 0.953 116 K CB 1.090 33.774 32.500 0.306 0.000 0.997 116 K HN 0.363 nan 8.250 nan 0.000 0.477 117 V N 2.322 122.345 119.914 0.180 0.000 2.409 117 V HA 0.315 4.435 4.120 -0.000 0.000 0.290 117 V C -0.127 176.060 176.094 0.156 0.000 1.017 117 V CA -1.065 61.344 62.300 0.182 0.000 0.841 117 V CB 1.500 33.356 31.823 0.055 0.000 1.003 117 V HN 0.734 nan 8.190 nan 0.000 0.426 118 A N 4.825 127.790 122.820 0.243 0.000 2.880 118 A HA 0.458 4.778 4.320 -0.000 0.000 0.328 118 A C 0.173 177.796 177.584 0.066 0.000 1.440 118 A CA -0.414 51.701 52.037 0.129 0.000 1.068 118 A CB -0.021 19.081 19.000 0.171 0.000 1.163 118 A HN 0.741 nan 8.150 nan 0.000 0.510 119 K N 1.312 121.748 120.400 0.060 0.000 2.270 119 K HA 0.287 4.607 4.320 -0.000 0.000 0.276 119 K C -0.632 175.937 176.600 -0.052 0.000 1.023 119 K CA -0.113 56.225 56.287 0.086 0.000 0.955 119 K CB 0.288 32.907 32.500 0.198 0.000 0.975 119 K HN 0.844 nan 8.250 nan 0.000 0.471 120 H N 0.869 119.832 119.070 -0.178 0.000 2.717 120 H HA 0.624 5.180 4.556 -0.000 0.000 0.366 120 H C -0.969 174.251 175.328 -0.181 0.000 1.132 120 H CA -0.269 55.560 56.048 -0.365 0.000 1.180 120 H CB 2.035 31.632 29.762 -0.275 0.000 1.678 120 H HN 0.723 nan 8.280 nan 0.000 0.537 121 G N 2.877 111.170 108.800 -0.845 0.000 2.579 121 G HA2 0.184 4.144 3.960 -0.000 0.000 0.292 121 G HA3 0.184 4.144 3.960 -0.000 0.000 0.292 121 G C -1.704 173.077 174.900 -0.198 0.000 1.484 121 G CA -1.050 43.837 45.100 -0.356 0.000 0.813 121 G HN 0.798 nan 8.290 nan 0.000 0.515 122 N N -0.953 117.665 118.700 -0.136 0.000 2.502 122 N HA 0.529 5.269 4.740 -0.000 0.000 0.280 122 N C 1.024 176.642 175.510 0.180 0.000 1.223 122 N CA -0.999 51.986 53.050 -0.109 0.000 0.966 122 N CB 1.285 39.623 38.487 -0.250 0.000 1.203 122 N HN 0.652 nan 8.380 nan 0.000 0.565 134 D N 2.174 122.493 120.400 -0.135 0.000 2.117 134 D HA -0.021 4.619 4.640 -0.000 0.000 0.198 134 D C 2.033 178.258 176.300 -0.124 0.000 0.982 134 D CA 1.508 55.443 54.000 -0.109 0.000 0.828 134 D CB -0.128 40.639 40.800 -0.055 0.000 0.967 134 D HN 0.582 nan 8.370 nan 0.000 0.464 135 L N 0.515 121.678 121.223 -0.100 0.000 2.017 135 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 135 L C 2.648 179.510 176.870 -0.013 0.000 1.073 135 L CA 0.682 55.486 54.840 -0.058 0.000 0.745 135 L CB -0.345 41.731 42.059 0.028 0.000 0.894 135 L HN 0.014 nan 8.230 nan 0.000 0.432 136 L N -0.929 120.254 121.223 -0.066 0.000 2.083 136 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 136 L C 2.725 179.569 176.870 -0.043 0.000 1.083 136 L CA 1.268 56.088 54.840 -0.034 0.000 0.752 136 L CB -0.542 41.356 42.059 -0.267 0.000 0.899 136 L HN 0.355 nan 8.230 nan 0.000 0.433 137 Q N -0.204 119.518 119.800 -0.131 0.000 2.061 137 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 137 Q C 2.419 178.354 176.000 -0.108 0.000 0.984 137 Q CA 1.677 57.410 55.803 -0.116 0.000 0.846 137 Q CB -0.331 28.324 28.738 -0.138 0.000 0.902 137 Q HN 0.577 nan 8.270 nan 0.000 0.421 138 A N -0.002 122.711 122.820 -0.179 0.000 2.139 138 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 138 A C 1.195 178.545 177.584 -0.390 0.000 1.159 138 A CA 1.170 53.023 52.037 -0.306 0.000 0.662 138 A CB -0.394 18.347 19.000 -0.433 0.000 0.796 138 A HN 0.311 nan 8.150 nan 0.000 0.463 139 F N -1.127 118.783 119.950 -0.068 0.000 2.641 139 F HA 0.395 4.922 4.527 -0.000 0.000 0.302 139 F C 1.703 177.454 175.800 -0.081 0.000 1.098 139 F CA 0.076 58.030 58.000 -0.076 0.000 1.318 139 F CB 0.121 39.041 39.000 -0.133 0.000 1.035 139 F HN 0.317 nan 8.300 nan 0.000 0.551 140 G N 0.946 109.783 108.800 0.061 0.000 2.143 140 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.249 140 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.249 140 G C 0.289 175.205 174.900 0.027 0.000 0.981 140 G CA -0.165 44.954 45.100 0.032 0.000 0.665 140 G HN 0.295 nan 8.290 nan 0.000 0.528 141 I N 1.213 121.802 120.570 0.032 0.000 2.441 141 I HA 0.511 4.681 4.170 -0.000 0.000 0.287 141 I C 1.309 177.437 176.117 0.018 0.000 1.049 141 I CA -0.091 61.230 61.300 0.034 0.000 1.381 141 I CB 0.834 38.864 38.000 0.050 0.000 1.409 141 I HN 0.341 nan 8.210 nan 0.000 0.523 142 R N 6.964 127.490 120.500 0.043 0.000 2.288 142 R HA 0.311 4.651 4.340 -0.000 0.000 0.330 142 R C 0.434 176.779 176.300 0.075 0.000 1.069 142 R CA -0.132 55.994 56.100 0.044 0.000 0.941 142 R CB -0.483 29.850 30.300 0.055 0.000 0.998 142 R HN 0.784 nan 8.270 nan 0.000 0.452 143 L N 1.056 122.295 121.223 0.026 0.000 2.291 143 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 143 L C 1.034 178.023 176.870 0.198 0.000 1.120 143 L CA 1.196 56.071 54.840 0.058 0.000 0.799 143 L CB 0.036 41.920 42.059 -0.291 0.000 0.925 143 L HN 0.885 nan 8.230 nan 0.000 0.446 144 D N -0.890 119.597 120.400 0.145 0.000 2.460 144 D HA 0.000 4.640 4.640 -0.000 0.000 0.229 144 D C 0.654 177.021 176.300 0.112 0.000 1.170 144 D CA -0.269 53.816 54.000 0.142 0.000 0.827 144 D CB -0.148 40.715 40.800 0.104 0.000 0.973 144 D HN 0.138 nan 8.370 nan 0.000 0.496 145 M N 1.674 121.359 119.600 0.142 0.000 2.251 145 M HA 0.015 4.495 4.480 -0.000 0.000 0.343 145 M C 0.356 176.734 176.300 0.129 0.000 1.245 145 M CA -0.124 55.254 55.300 0.130 0.000 1.061 145 M CB 0.607 33.304 32.600 0.160 0.000 1.723 145 M HN 0.155 nan 8.290 nan 0.000 0.449 146 S N 4.178 119.931 115.700 0.088 0.000 2.576 146 S HA 0.236 4.706 4.470 -0.000 0.000 0.272 146 S C 1.045 175.725 174.600 0.133 0.000 1.352 146 S CA -0.244 57.996 58.200 0.068 0.000 1.021 146 S CB 1.031 64.251 63.200 0.032 0.000 0.887 146 S HN 0.840 nan 8.310 nan 0.000 0.542 147 A N 1.481 124.386 122.820 0.142 0.000 1.933 147 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 147 A C 2.169 179.739 177.584 -0.023 0.000 1.175 147 A CA 1.335 53.513 52.037 0.234 0.000 0.628 147 A CB -0.782 18.360 19.000 0.237 0.000 0.814 147 A HN 0.859 nan 8.150 nan 0.000 0.444 148 E N 0.579 120.749 120.200 -0.051 0.000 2.072 148 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 148 E C 1.351 177.930 176.600 -0.035 0.000 0.985 148 E CA 1.295 57.639 56.400 -0.094 0.000 0.801 148 E CB -0.475 29.186 29.700 -0.064 0.000 0.750 148 E HN 0.570 nan 8.360 nan 0.000 0.452 149 D N 0.183 120.598 120.400 0.024 0.000 2.183 149 D HA -0.020 4.620 4.640 -0.000 0.000 0.203 149 D C 1.969 178.323 176.300 0.090 0.000 0.969 149 D CA 0.671 54.701 54.000 0.050 0.000 0.842 149 D CB -0.098 40.739 40.800 0.061 0.000 0.957 149 D HN -0.031 nan 8.370 nan 0.000 0.484 150 S N 0.233 116.025 115.700 0.152 0.000 2.368 150 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 150 S C 1.892 176.622 174.600 0.217 0.000 1.029 150 S CA 0.884 59.225 58.200 0.236 0.000 0.988 150 S CB 0.112 63.552 63.200 0.400 0.000 0.838 150 S HN 0.098 nan 8.310 nan 0.000 0.462 151 R N 1.833 122.397 120.500 0.106 0.000 2.096 151 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 151 R C 2.156 178.472 176.300 0.027 0.000 1.127 151 R CA 1.651 57.750 56.100 -0.003 0.000 0.968 151 R CB -0.805 29.286 30.300 -0.349 0.000 0.861 151 R HN 0.254 nan 8.270 nan 0.000 0.440 152 Q N -0.181 119.629 119.800 0.018 0.000 2.167 152 Q HA 0.081 4.421 4.340 -0.000 0.000 0.202 152 Q C 1.822 177.853 176.000 0.051 0.000 0.970 152 Q CA 1.979 57.798 55.803 0.027 0.000 0.855 152 Q CB -0.379 28.369 28.738 0.016 0.000 0.911 152 Q HN 0.422 nan 8.270 nan 0.000 0.438 153 A N -0.061 122.803 122.820 0.072 0.000 1.898 153 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 153 A C 1.960 179.591 177.584 0.078 0.000 1.181 153 A CA 1.336 53.419 52.037 0.078 0.000 0.620 153 A CB -0.765 18.295 19.000 0.102 0.000 0.819 153 A HN 0.454 nan 8.150 nan 0.000 0.442 154 L N 0.115 121.401 121.223 0.104 0.000 2.046 154 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 154 L C 1.645 178.572 176.870 0.095 0.000 1.077 154 L CA 2.418 57.324 54.840 0.110 0.000 0.747 154 L CB -0.638 41.510 42.059 0.148 0.000 0.896 154 L HN 0.327 nan 8.230 nan 0.000 0.432 155 D N -0.275 120.190 120.400 0.109 0.000 2.084 155 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 155 D C 1.792 178.093 176.300 0.002 0.000 0.990 155 D CA 1.640 55.687 54.000 0.078 0.000 0.826 155 D CB -0.195 40.659 40.800 0.090 0.000 0.971 155 D HN 0.405 nan 8.370 nan 0.000 0.453 156 D N -0.224 120.186 120.400 0.017 0.000 2.137 156 D HA 0.002 4.642 4.640 -0.000 0.000 0.202 156 D C 1.993 178.293 176.300 -0.000 0.000 0.970 156 D CA 0.527 54.530 54.000 0.005 0.000 0.837 156 D CB -0.014 40.794 40.800 0.015 0.000 0.981 156 D HN 0.235 nan 8.370 nan 0.000 0.475 157 L N 0.024 121.255 121.223 0.015 0.000 2.640 157 L HA 0.172 4.511 4.340 -0.000 0.000 0.230 157 L C 0.001 176.876 176.870 0.008 0.000 1.123 157 L CA -0.055 54.798 54.840 0.020 0.000 0.900 157 L CB -0.022 42.067 42.059 0.050 0.000 1.146 157 L HN -0.127 nan 8.230 nan 0.000 0.484 158 N N -0.436 118.259 118.700 -0.009 0.000 2.828 158 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 158 N C -0.404 175.105 175.510 -0.002 0.000 1.044 158 N CA 0.994 54.030 53.050 -0.024 0.000 0.851 158 N CB -1.176 37.280 38.487 -0.052 0.000 1.136 158 N HN 0.271 nan 8.380 nan 0.000 0.572 159 V N -0.603 119.316 119.914 0.009 0.000 3.077 159 V HA 0.772 4.892 4.120 -0.000 0.000 0.299 159 V C -1.002 175.105 176.094 0.023 0.000 1.276 159 V CA -0.076 62.207 62.300 -0.028 0.000 0.993 159 V CB 2.177 33.891 31.823 -0.182 0.000 1.076 159 V HN 0.590 nan 8.190 nan 0.000 0.434 160 C N 3.570 122.894 119.300 0.040 0.000 3.321 160 C HA 0.863 5.323 4.460 -0.000 0.000 0.329 160 C C -1.476 173.611 174.990 0.162 0.000 1.394 160 C CA -1.036 58.052 59.018 0.116 0.000 1.291 160 C CB 1.079 28.907 27.740 0.146 0.000 1.606 160 C HN 1.280 nan 8.230 nan 0.000 0.463 161 F N 1.431 121.413 119.950 0.053 0.000 2.539 161 F HA 0.764 5.291 4.527 -0.000 0.000 0.318 161 F C -1.112 174.766 175.800 0.130 0.000 1.135 161 F CA -0.879 57.158 58.000 0.062 0.000 0.915 161 F CB 1.277 40.315 39.000 0.063 0.000 1.176 161 F HN 0.693 nan 8.300 nan 0.000 0.440 162 L N 7.270 128.143 121.223 -0.582 0.000 2.277 162 L HA 0.324 4.664 4.340 -0.000 0.000 0.284 162 L C -0.873 175.742 176.870 -0.426 0.000 1.028 162 L CA -0.780 53.863 54.840 -0.328 0.000 0.835 162 L CB 0.840 42.584 42.059 -0.526 0.000 1.215 162 L HN 0.522 nan 8.230 nan 0.000 0.425 163 F N 2.842 122.681 119.950 -0.184 0.000 2.444 163 F HA 0.331 4.858 4.527 0.000 0.000 0.360 163 F C 1.280 177.151 175.800 0.119 0.000 1.106 163 F CA -0.615 57.356 58.000 -0.048 0.000 1.170 163 F CB 1.283 40.422 39.000 0.230 0.000 1.113 163 F HN 0.626 nan 8.300 nan 0.000 0.521 164 A N 7.573 130.231 122.820 -0.270 0.000 1.903 164 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 164 A C -0.565 176.930 177.584 -0.148 0.000 1.191 164 A CA 1.960 53.934 52.037 -0.105 0.000 0.638 164 A CB -2.003 16.774 19.000 -0.371 0.000 0.823 164 A HN 0.672 nan 8.150 nan 0.000 0.451 165 P HA -0.137 nan 4.420 nan 0.000 0.221 165 P C 1.377 178.593 177.300 -0.141 0.000 1.145 165 P CA 1.057 63.960 63.100 -0.328 0.000 0.795 165 P CB -0.012 31.389 31.700 -0.500 0.000 0.775 166 Q N -2.292 117.450 119.800 -0.097 0.000 2.245 166 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 166 Q C 1.351 177.167 176.000 -0.306 0.000 0.955 166 Q CA 1.368 57.104 55.803 -0.112 0.000 0.870 166 Q CB -0.251 28.463 28.738 -0.041 0.000 0.945 166 Q HN 0.472 nan 8.270 nan 0.000 0.461 167 Y N -1.612 118.631 120.300 -0.096 0.000 2.535 167 Y HA 0.111 4.661 4.550 -0.000 0.000 0.264 167 Y C 0.271 175.929 175.900 -0.403 0.000 1.087 167 Y CA 0.074 58.027 58.100 -0.245 0.000 1.285 167 Y CB 0.638 38.887 38.460 -0.352 0.000 1.200 167 Y HN 0.109 nan 8.280 nan 0.000 0.514 168 H N -0.431 118.714 119.070 0.125 0.000 2.418 168 H HA 0.180 4.736 4.556 -0.000 0.000 0.238 168 H C 1.239 176.627 175.328 0.099 0.000 1.403 168 H CA 0.008 56.128 56.048 0.119 0.000 1.419 168 H CB 0.614 30.447 29.762 0.120 0.000 1.463 168 H HN 0.145 nan 8.280 nan 0.000 0.515 169 T N -1.732 112.896 114.554 0.123 0.000 2.881 169 T HA -0.122 4.228 4.350 -0.000 0.000 0.270 169 T C 2.186 176.914 174.700 0.048 0.000 1.068 169 T CA 1.172 63.310 62.100 0.063 0.000 1.131 169 T CB -0.085 68.802 68.868 0.032 0.000 0.871 169 T HN 0.592 nan 8.240 nan 0.000 0.479 170 G N -0.635 108.253 108.800 0.147 0.000 2.880 170 G HA2 0.134 4.094 3.960 -0.000 0.000 0.209 170 G HA3 0.134 4.094 3.960 -0.000 0.000 0.209 170 G C 0.956 175.951 174.900 0.159 0.000 1.157 170 G CA -0.254 44.939 45.100 0.156 0.000 0.779 170 G HN 0.472 nan 8.290 nan 0.000 0.539 171 F N 2.576 122.561 119.950 0.058 0.000 2.269 171 F HA -0.078 4.449 4.527 0.000 0.000 0.301 171 F C 2.821 178.569 175.800 -0.086 0.000 1.082 171 F CA 1.436 59.462 58.000 0.043 0.000 1.360 171 F CB 0.148 39.180 39.000 0.052 0.000 1.041 171 F HN 0.234 nan 8.300 nan 0.000 0.512 172 R N -0.712 119.759 120.500 -0.047 0.000 2.120 172 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 172 R C 1.641 177.811 176.300 -0.218 0.000 1.123 172 R CA 2.182 58.189 56.100 -0.154 0.000 0.975 172 R CB -1.636 28.549 30.300 -0.190 0.000 0.866 172 R HN 0.365 nan 8.270 nan 0.000 0.446 173 H N 0.419 119.428 119.070 -0.101 0.000 2.492 173 H HA -0.050 4.506 4.556 -0.000 0.000 0.296 173 H C 1.956 177.162 175.328 -0.203 0.000 1.095 173 H CA 1.248 57.228 56.048 -0.114 0.000 1.281 173 H CB 0.114 29.840 29.762 -0.061 0.000 1.374 173 H HN 0.530 nan 8.280 nan 0.000 0.545 174 A N 0.029 122.675 122.820 -0.291 0.000 2.169 174 A HA 0.020 4.340 4.320 -0.000 0.000 0.210 174 A C 1.988 179.329 177.584 -0.406 0.000 1.168 174 A CA 0.048 51.799 52.037 -0.476 0.000 0.813 174 A CB 0.027 18.328 19.000 -1.166 0.000 0.861 174 A HN 0.143 nan 8.150 nan 0.000 0.481 175 M N 0.194 119.598 119.600 -0.327 0.000 2.089 175 M HA -0.130 4.350 4.480 -0.000 0.000 0.257 175 M C -0.448 175.777 176.300 -0.125 0.000 1.071 175 M CA 1.890 57.068 55.300 -0.204 0.000 1.096 175 M CB -2.356 30.171 32.600 -0.121 0.000 1.330 175 M HN 0.124 nan 8.290 nan 0.000 0.403 176 P HA -0.092 nan 4.420 nan 0.000 0.215 176 P C 1.992 179.258 177.300 -0.057 0.000 1.157 176 P CA 1.122 64.188 63.100 -0.056 0.000 0.868 176 P CB -0.084 31.593 31.700 -0.038 0.000 0.788 177 V N -0.173 119.698 119.914 -0.071 0.000 2.343 177 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 177 V C 2.459 178.521 176.094 -0.053 0.000 1.051 177 V CA 1.788 64.055 62.300 -0.054 0.000 1.036 177 V CB -0.969 30.822 31.823 -0.054 0.000 0.654 177 V HN 0.064 nan 8.190 nan 0.000 0.451 178 R N -0.411 120.033 120.500 -0.092 0.000 2.081 178 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 178 R C 2.413 178.691 176.300 -0.037 0.000 1.131 178 R CA 1.323 57.383 56.100 -0.067 0.000 0.960 178 R CB -0.311 29.914 30.300 -0.126 0.000 0.856 178 R HN 0.508 nan 8.270 nan 0.000 0.436 179 Q N 0.658 120.432 119.800 -0.043 0.000 2.119 179 Q HA -0.146 4.194 4.340 -0.000 0.000 0.201 179 Q C 2.014 178.003 176.000 -0.018 0.000 0.972 179 Q CA 1.460 57.248 55.803 -0.025 0.000 0.847 179 Q CB -0.057 28.666 28.738 -0.024 0.000 0.903 179 Q HN 0.516 nan 8.270 nan 0.000 0.433 180 Q N 0.086 119.874 119.800 -0.020 0.000 2.119 180 Q HA -0.015 4.325 4.340 -0.000 0.000 0.201 180 Q C 2.164 178.158 176.000 -0.009 0.000 0.972 180 Q CA 0.743 56.538 55.803 -0.014 0.000 0.847 180 Q CB 0.021 28.750 28.738 -0.015 0.000 0.903 180 Q HN 0.299 nan 8.270 nan 0.000 0.433 181 L N 0.472 121.690 121.223 -0.007 0.000 2.240 181 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 181 L C 0.431 177.301 176.870 -0.001 0.000 1.106 181 L CA 0.370 55.209 54.840 -0.000 0.000 0.793 181 L CB -0.158 41.907 42.059 0.009 0.000 0.927 181 L HN 0.145 nan 8.230 nan 0.000 0.446 182 K N 0.723 121.121 120.400 -0.004 0.000 3.177 182 K HA -0.210 4.110 4.320 -0.000 0.000 0.266 182 K C 0.069 176.664 176.600 -0.008 0.000 0.937 182 K CA 0.647 56.930 56.287 -0.007 0.000 0.702 182 K CB -1.460 31.035 32.500 -0.008 0.000 1.365 182 K HN 0.318 nan 8.250 nan 0.000 0.466 183 T N -0.844 113.709 114.554 -0.002 0.000 2.894 183 T HA 0.391 4.741 4.350 -0.000 0.000 0.309 183 T C -0.991 173.712 174.700 0.005 0.000 1.208 183 T CA -0.953 61.145 62.100 -0.003 0.000 1.016 183 T CB 1.190 70.064 68.868 0.010 0.000 1.192 183 T HN 0.259 nan 8.240 nan 0.000 0.491 184 R N 1.928 122.421 120.500 -0.013 0.000 2.537 184 R HA 0.514 4.854 4.340 -0.000 0.000 0.280 184 R C 0.484 176.832 176.300 0.080 0.000 1.058 184 R CA -0.064 56.038 56.100 0.002 0.000 1.057 184 R CB 0.631 30.887 30.300 -0.072 0.000 0.973 184 R HN 0.792 nan 8.270 nan 0.000 0.438 185 T N -1.559 113.073 114.554 0.130 0.000 2.716 185 T HA 0.266 4.616 4.350 -0.000 0.000 0.286 185 T C 1.066 175.867 174.700 0.169 0.000 1.052 185 T CA -0.972 61.223 62.100 0.158 0.000 1.024 185 T CB 0.753 69.744 68.868 0.205 0.000 1.349 185 T HN 0.559 nan 8.240 nan 0.000 0.525 186 I N -0.412 120.228 120.570 0.117 0.000 2.423 186 I HA -0.041 4.129 4.170 -0.000 0.000 0.254 186 I C 1.559 177.660 176.117 -0.027 0.000 1.151 186 I CA 1.379 62.679 61.300 0.002 0.000 1.421 186 I CB -0.238 37.698 38.000 -0.107 0.000 1.079 186 I HN 0.627 nan 8.210 nan 0.000 0.431 187 F N 1.256 121.264 119.950 0.096 0.000 2.269 187 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 187 F C 2.233 178.131 175.800 0.162 0.000 1.082 187 F CA 1.282 59.345 58.000 0.106 0.000 1.360 187 F CB -0.651 38.367 39.000 0.031 0.000 1.041 187 F HN 0.207 nan 8.300 nan 0.000 0.512 188 N N 0.143 119.026 118.700 0.305 0.000 2.520 188 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 188 N C 1.716 177.384 175.510 0.263 0.000 1.068 188 N CA 1.540 54.757 53.050 0.278 0.000 0.911 188 N CB 0.203 38.843 38.487 0.255 0.000 0.961 188 N HN 0.348 nan 8.380 nan 0.000 0.446 189 V N -3.018 116.999 119.914 0.171 0.000 3.556 189 V HA 0.212 4.332 4.120 -0.000 0.000 0.287 189 V C 1.750 177.851 176.094 0.011 0.000 1.422 189 V CA 0.123 62.464 62.300 0.068 0.000 1.038 189 V CB -0.291 31.520 31.823 -0.020 0.000 0.850 189 V HN -0.000 nan 8.190 nan 0.000 0.437 190 L N 1.419 122.662 121.223 0.034 0.000 2.179 190 L HA 0.188 4.528 4.340 -0.000 0.000 0.208 190 L C 2.774 179.655 176.870 0.018 0.000 1.096 190 L CA 1.472 56.307 54.840 -0.009 0.000 0.779 190 L CB -0.981 41.058 42.059 -0.033 0.000 0.922 190 L HN 0.479 nan 8.230 nan 0.000 0.443 191 G N 1.453 110.288 108.800 0.059 0.000 2.529 191 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 191 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 191 G C -0.749 174.154 174.900 0.005 0.000 1.177 191 G CA 0.831 45.898 45.100 -0.055 0.000 0.773 191 G HN 0.325 nan 8.290 nan 0.000 0.573 192 P HA 0.065 nan 4.420 nan 0.000 0.226 192 P C 1.526 178.825 177.300 -0.001 0.000 1.153 192 P CA 0.619 63.736 63.100 0.028 0.000 0.777 192 P CB -0.009 31.687 31.700 -0.007 0.000 0.794 193 L N -0.803 120.398 121.223 -0.038 0.000 2.592 193 L HA 0.207 4.547 4.340 -0.000 0.000 0.227 193 L C 1.415 178.272 176.870 -0.021 0.000 1.127 193 L CA 0.325 55.132 54.840 -0.055 0.000 0.884 193 L CB -0.356 41.645 42.059 -0.097 0.000 1.065 193 L HN 0.042 nan 8.230 nan 0.000 0.457 194 I N -3.586 116.946 120.570 -0.063 0.000 3.654 194 I HA 0.216 4.386 4.170 -0.000 0.000 0.337 194 I C 0.225 176.182 176.117 -0.268 0.000 1.568 194 I CA -0.517 60.713 61.300 -0.117 0.000 1.115 194 I CB -0.286 37.574 38.000 -0.234 0.000 1.300 194 I HN 0.067 nan 8.210 nan 0.000 0.471 195 N N 4.268 122.755 118.700 -0.356 0.000 2.414 195 N HA 0.081 4.821 4.740 -0.000 0.000 0.268 195 N C -1.104 174.140 175.510 -0.443 0.000 1.286 195 N CA -0.910 51.746 53.050 -0.656 0.000 0.896 195 N CB 0.915 39.229 38.487 -0.288 0.000 1.093 195 N HN 0.205 nan 8.380 nan 0.000 0.480 196 P HA -0.105 nan 4.420 nan 0.000 0.228 196 P C 0.277 177.410 177.300 -0.279 0.000 1.151 196 P CA 0.745 63.624 63.100 -0.369 0.000 0.770 196 P CB 0.167 31.568 31.700 -0.498 0.000 0.786 197 A N 0.028 122.606 122.820 -0.404 0.000 2.218 197 A HA 0.071 4.391 4.320 -0.000 0.000 0.209 197 A C 0.976 178.587 177.584 0.045 0.000 1.168 197 A CA -0.169 51.755 52.037 -0.188 0.000 0.804 197 A CB -0.833 17.937 19.000 -0.383 0.000 0.834 197 A HN 0.023 nan 8.150 nan 0.000 0.482 198 R N -1.037 119.396 120.500 -0.112 0.000 3.127 198 R HA -0.121 4.219 4.340 -0.000 0.000 0.247 198 R C -2.507 173.595 176.300 -0.331 0.000 0.896 198 R CA 0.485 56.466 56.100 -0.199 0.000 0.624 198 R CB -1.784 28.439 30.300 -0.128 0.000 1.154 198 R HN 0.467 nan 8.270 nan 0.000 0.474 199 P HA 0.002 nan 4.420 nan 0.000 0.269 199 P C -1.889 174.897 177.300 -0.856 0.000 1.209 199 P CA -1.085 61.430 63.100 -0.976 0.000 0.776 199 P CB 0.797 32.069 31.700 -0.714 0.000 0.876 200 P HA 0.040 nan 4.420 nan 0.000 0.235 200 P C 0.028 177.136 177.300 -0.319 0.000 1.177 200 P CA 1.162 63.965 63.100 -0.495 0.000 0.785 200 P CB 0.646 32.139 31.700 -0.347 0.000 0.885 201 K N -0.115 120.091 120.400 -0.323 0.000 2.385 201 K HA 0.787 5.107 4.320 -0.000 0.000 0.248 201 K C -1.022 175.568 176.600 -0.016 0.000 0.955 201 K CA -0.872 55.318 56.287 -0.161 0.000 0.816 201 K CB 2.866 35.140 32.500 -0.377 0.000 1.250 201 K HN -0.158 nan 8.250 nan 0.000 0.434 202 A N 1.472 124.308 122.820 0.027 0.000 2.582 202 A HA 0.476 4.796 4.320 -0.000 0.000 0.297 202 A C -2.220 175.359 177.584 -0.008 0.000 1.059 202 A CA -0.693 51.362 52.037 0.029 0.000 0.705 202 A CB 1.202 20.229 19.000 0.045 0.000 1.279 202 A HN 0.515 nan 8.150 nan 0.000 0.404 203 L N 3.064 124.299 121.223 0.020 0.000 2.294 203 L HA 0.796 5.136 4.340 -0.000 0.000 0.283 203 L C -1.227 175.643 176.870 0.000 0.000 1.015 203 L CA -0.253 54.598 54.840 0.019 0.000 0.831 203 L CB 0.363 42.458 42.059 0.059 0.000 1.217 203 L HN 0.528 nan 8.230 nan 0.000 0.420 204 I N 4.845 125.395 120.570 -0.034 0.000 2.418 204 I HA 0.533 4.703 4.170 -0.000 0.000 0.287 204 I C 0.571 176.672 176.117 -0.027 0.000 1.008 204 I CA -0.646 60.631 61.300 -0.039 0.000 1.104 204 I CB 1.940 39.883 38.000 -0.095 0.000 1.264 204 I HN 0.734 nan 8.210 nan 0.000 0.438 205 G N 5.323 114.124 108.800 0.001 0.000 2.389 205 G HA2 0.637 4.597 3.960 -0.000 0.000 0.317 205 G HA3 0.637 4.597 3.960 -0.000 0.000 0.317 205 G C -0.509 174.406 174.900 0.025 0.000 1.137 205 G CA -0.403 44.708 45.100 0.019 0.000 0.870 205 G HN 0.503 nan 8.290 nan 0.000 0.496 206 V N 0.237 120.173 119.914 0.036 0.000 3.001 206 V HA 0.530 4.650 4.120 -0.000 0.000 0.314 206 V C 0.671 176.827 176.094 0.104 0.000 1.099 206 V CA -1.080 61.204 62.300 -0.027 0.000 0.989 206 V CB 1.440 33.151 31.823 -0.185 0.000 1.040 206 V HN 0.862 nan 8.190 nan 0.000 0.434 207 Y N 0.811 121.179 120.300 0.112 0.000 2.583 207 Y HA 0.517 5.067 4.550 -0.000 0.000 0.293 207 Y C 0.799 176.693 175.900 -0.010 0.000 1.157 207 Y CA -0.004 58.183 58.100 0.146 0.000 1.315 207 Y CB -0.766 37.743 38.460 0.081 0.000 1.021 207 Y HN 0.834 nan 8.280 nan 0.000 0.536 208 S N -0.733 114.714 115.700 -0.420 0.000 2.564 208 S HA 0.435 4.905 4.470 -0.000 0.000 0.274 208 S C -2.345 171.784 174.600 -0.786 0.000 1.124 208 S CA -1.465 56.349 58.200 -0.644 0.000 0.869 208 S CB 2.467 65.517 63.200 -0.251 0.000 1.105 208 S HN -0.095 nan 8.310 nan 0.000 0.472 209 P HA -0.141 nan 4.420 nan 0.000 0.218 209 P C 1.203 178.388 177.300 -0.192 0.000 1.149 209 P CA 1.299 64.210 63.100 -0.314 0.000 0.817 209 P CB -0.048 31.575 31.700 -0.128 0.000 0.785 210 E N -0.105 119.984 120.200 -0.185 0.000 2.338 210 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 210 E C 1.506 178.018 176.600 -0.147 0.000 1.007 210 E CA 0.737 57.059 56.400 -0.131 0.000 0.849 210 E CB -0.771 28.871 29.700 -0.097 0.000 0.774 210 E HN 0.208 nan 8.360 nan 0.000 0.506 211 L N 0.858 121.954 121.223 -0.211 0.000 2.509 211 L HA 0.005 4.345 4.340 -0.000 0.000 0.222 211 L C 2.294 179.058 176.870 -0.176 0.000 1.123 211 L CA 0.377 55.086 54.840 -0.219 0.000 0.856 211 L CB -0.117 41.731 42.059 -0.351 0.000 0.985 211 L HN -0.052 nan 8.230 nan 0.000 0.456 212 V N -0.467 119.357 119.914 -0.151 0.000 2.255 212 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 212 V C 2.384 178.411 176.094 -0.112 0.000 1.051 212 V CA 1.927 64.156 62.300 -0.118 0.000 1.018 212 V CB -0.498 31.270 31.823 -0.092 0.000 0.641 212 V HN 0.362 nan 8.190 nan 0.000 0.445 213 L N 1.461 122.625 121.223 -0.099 0.000 2.027 213 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 213 L C 0.106 176.924 176.870 -0.086 0.000 1.074 213 L CA 2.265 57.054 54.840 -0.085 0.000 0.745 213 L CB -1.677 40.342 42.059 -0.067 0.000 0.898 213 L HN 0.267 nan 8.230 nan 0.000 0.433 214 P HA -0.176 nan 4.420 nan 0.000 0.218 214 P C 1.950 179.187 177.300 -0.105 0.000 1.149 214 P CA 1.455 64.502 63.100 -0.088 0.000 0.817 214 P CB -0.116 31.532 31.700 -0.087 0.000 0.785 215 I N 0.296 120.792 120.570 -0.124 0.000 2.353 215 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 215 I C 2.550 178.578 176.117 -0.148 0.000 1.119 215 I CA 1.189 62.404 61.300 -0.142 0.000 1.417 215 I CB -1.788 36.120 38.000 -0.155 0.000 1.078 215 I HN -0.073 nan 8.210 nan 0.000 0.421 216 A N 0.178 122.919 122.820 -0.132 0.000 1.933 216 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 216 A C 2.246 179.768 177.584 -0.103 0.000 1.175 216 A CA 1.402 53.364 52.037 -0.126 0.000 0.628 216 A CB -0.588 18.351 19.000 -0.101 0.000 0.814 216 A HN 0.478 nan 8.150 nan 0.000 0.444 217 Q N -0.785 118.964 119.800 -0.086 0.000 2.119 217 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 217 Q C 2.384 178.343 176.000 -0.068 0.000 0.972 217 Q CA 1.269 57.033 55.803 -0.065 0.000 0.847 217 Q CB -0.344 28.360 28.738 -0.056 0.000 0.903 217 Q HN 0.698 nan 8.270 nan 0.000 0.433 218 A N 0.664 123.431 122.820 -0.090 0.000 1.930 218 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 218 A C 2.015 179.548 177.584 -0.086 0.000 1.175 218 A CA 0.921 52.904 52.037 -0.090 0.000 0.627 218 A CB -0.581 18.350 19.000 -0.115 0.000 0.815 218 A HN 0.289 nan 8.150 nan 0.000 0.443 219 L N -0.522 120.614 121.223 -0.144 0.000 2.083 219 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 219 L C 2.617 179.492 176.870 0.007 0.000 1.083 219 L CA 1.921 56.647 54.840 -0.189 0.000 0.752 219 L CB -0.411 41.401 42.059 -0.412 0.000 0.899 219 L HN 0.492 nan 8.230 nan 0.000 0.433 220 K N 0.294 120.684 120.400 -0.016 0.000 2.026 220 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 220 K C 2.008 178.624 176.600 0.027 0.000 1.048 220 K CA 1.500 57.797 56.287 0.017 0.000 0.929 220 K CB -0.016 32.479 32.500 -0.008 0.000 0.713 220 K HN 0.073 nan 8.250 nan 0.000 0.439 221 V N 1.852 121.770 119.914 0.008 0.000 2.392 221 V HA -0.233 3.886 4.120 -0.000 0.000 0.249 221 V C 2.172 178.283 176.094 0.029 0.000 1.059 221 V CA 1.517 63.822 62.300 0.008 0.000 1.051 221 V CB -0.366 31.451 31.823 -0.008 0.000 0.658 221 V HN 0.341 nan 8.190 nan 0.000 0.455 222 L N 0.175 121.435 121.223 0.062 0.000 2.551 222 L HA 0.177 4.517 4.340 -0.000 0.000 0.228 222 L C 1.766 178.686 176.870 0.084 0.000 1.153 222 L CA 0.972 55.872 54.840 0.099 0.000 0.851 222 L CB -0.455 41.714 42.059 0.183 0.000 0.959 222 L HN 0.583 nan 8.230 nan 0.000 0.451 223 G N -1.961 106.884 108.800 0.075 0.000 2.159 223 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.227 223 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.227 223 G C 0.009 174.884 174.900 -0.042 0.000 0.986 223 G CA -0.610 44.488 45.100 -0.003 0.000 0.651 223 G HN 0.154 nan 8.290 nan 0.000 0.523 224 Y N 0.803 121.053 120.300 -0.083 0.000 2.457 224 Y HA 0.400 4.950 4.550 -0.000 0.000 0.341 224 Y C 1.901 177.744 175.900 -0.095 0.000 1.240 224 Y CA 0.842 58.879 58.100 -0.106 0.000 1.437 224 Y CB 0.714 39.109 38.460 -0.108 0.000 1.328 224 Y HN 0.076 nan 8.280 nan 0.000 0.588 225 K N 0.920 121.321 120.400 0.002 0.000 2.240 225 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 225 K C -0.410 176.179 176.600 -0.018 0.000 1.053 225 K CA 0.572 56.843 56.287 -0.027 0.000 0.973 225 K CB 0.200 32.655 32.500 -0.075 0.000 0.924 225 K HN 0.563 nan 8.250 nan 0.000 0.477 226 N N -0.046 118.635 118.700 -0.032 0.000 2.480 226 N HA 0.428 5.168 4.740 -0.000 0.000 0.289 226 N C -1.783 173.711 175.510 -0.026 0.000 1.073 226 N CA -0.305 52.720 53.050 -0.040 0.000 0.885 226 N CB 2.274 40.706 38.487 -0.091 0.000 1.421 226 N HN 0.156 nan 8.380 nan 0.000 0.503 227 A N 1.038 123.849 122.820 -0.015 0.000 2.594 227 A HA 0.945 5.265 4.320 -0.000 0.000 0.291 227 A C -1.591 175.972 177.584 -0.034 0.000 1.105 227 A CA -0.729 51.287 52.037 -0.035 0.000 0.694 227 A CB 1.427 20.372 19.000 -0.091 0.000 1.291 227 A HN 0.626 nan 8.150 nan 0.000 0.410 228 A N 0.373 123.169 122.820 -0.040 0.000 2.381 228 A HA 0.675 4.995 4.320 -0.000 0.000 0.299 228 A C -1.191 176.353 177.584 -0.066 0.000 1.049 228 A CA -0.408 51.606 52.037 -0.039 0.000 0.715 228 A CB 1.283 20.290 19.000 0.012 0.000 1.222 228 A HN 1.423 nan 8.150 nan 0.000 0.428 229 V N 2.882 122.741 119.914 -0.093 0.000 2.435 229 V HA 0.708 4.828 4.120 -0.000 0.000 0.290 229 V C 0.070 176.117 176.094 -0.079 0.000 1.030 229 V CA -0.351 61.894 62.300 -0.092 0.000 0.881 229 V CB 1.318 33.072 31.823 -0.115 0.000 0.983 229 V HN 1.258 nan 8.190 nan 0.000 0.445 230 V N 1.868 121.757 119.914 -0.042 0.000 3.078 230 V HA 0.850 4.970 4.120 -0.000 0.000 0.311 230 V C -1.198 174.925 176.094 0.048 0.000 1.138 230 V CA -0.739 61.551 62.300 -0.016 0.000 1.007 230 V CB 2.099 33.917 31.823 -0.009 0.000 1.045 230 V HN 1.037 nan 8.190 nan 0.000 0.432 231 H N 0.778 119.823 119.070 -0.041 0.000 3.026 231 H HA 0.773 5.329 4.556 0.000 0.000 0.352 231 H C -0.476 174.849 175.328 -0.005 0.000 1.090 231 H CA 0.500 56.538 56.048 -0.018 0.000 1.268 231 H CB 1.977 31.718 29.762 -0.034 0.000 1.816 231 H HN 1.376 nan 8.280 nan 0.000 0.518 232 G N 1.749 110.228 108.800 -0.535 0.000 2.739 232 G HA2 0.458 4.418 3.960 -0.000 0.000 0.291 232 G HA3 0.458 4.418 3.960 -0.000 0.000 0.291 232 G C 0.344 175.061 174.900 -0.306 0.000 1.478 232 G CA -0.391 44.528 45.100 -0.301 0.000 1.062 232 G HN 1.293 nan 8.290 nan 0.000 0.532 233 G N 0.261 108.949 108.800 -0.185 0.000 2.390 233 G HA2 0.194 4.154 3.960 -0.000 0.000 0.299 233 G HA3 0.194 4.154 3.960 -0.000 0.000 0.299 233 G C 1.495 176.479 174.900 0.140 0.000 1.002 233 G CA 1.533 46.619 45.100 -0.025 0.000 0.979 233 G HN 2.588 nan 8.290 nan 0.000 0.513 234 G N -2.251 106.582 108.800 0.055 0.000 2.199 234 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 234 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 234 G C 0.354 175.292 174.900 0.064 0.000 0.982 234 G CA 0.985 46.193 45.100 0.180 0.000 0.632 234 G HN 0.923 nan 8.290 nan 0.000 0.529 235 M N 1.722 121.219 119.600 -0.173 0.000 2.472 235 M HA 0.378 4.858 4.480 -0.000 0.000 0.331 235 M C -0.135 176.087 176.300 -0.131 0.000 1.170 235 M CA -1.228 54.026 55.300 -0.076 0.000 1.009 235 M CB 1.274 33.877 32.600 0.004 0.000 1.672 235 M HN 0.273 nan 8.290 nan 0.000 0.453 236 D N 1.815 122.237 120.400 0.036 0.000 2.994 236 D HA 0.196 4.836 4.640 -0.000 0.000 0.240 236 D C -0.185 176.132 176.300 0.030 0.000 1.195 236 D CA -0.037 54.009 54.000 0.076 0.000 0.957 236 D CB -0.063 40.816 40.800 0.130 0.000 1.105 236 D HN 0.702 nan 8.370 nan 0.000 0.477 237 E N -1.904 118.290 120.200 -0.010 0.000 2.435 237 E HA 0.271 4.621 4.350 -0.000 0.000 0.277 237 E C -1.461 175.129 176.600 -0.018 0.000 1.106 237 E CA -1.095 55.303 56.400 -0.003 0.000 0.868 237 E CB 0.545 30.246 29.700 0.002 0.000 1.454 237 E HN -0.121 nan 8.360 nan 0.000 0.452 238 V N 0.994 120.900 119.914 -0.012 0.000 2.521 238 V HA 0.411 4.531 4.120 -0.000 0.000 0.286 238 V C 0.420 176.496 176.094 -0.031 0.000 1.034 238 V CA 0.445 62.736 62.300 -0.015 0.000 1.045 238 V CB 0.487 32.286 31.823 -0.041 0.000 0.974 238 V HN 0.699 nan 8.190 nan 0.000 0.480 239 A N 4.721 127.530 122.820 -0.019 0.000 2.316 239 A HA 0.625 4.945 4.320 -0.000 0.000 0.284 239 A C 0.512 178.108 177.584 0.021 0.000 1.115 239 A CA -0.312 51.734 52.037 0.016 0.000 0.812 239 A CB 0.542 19.489 19.000 -0.088 0.000 1.064 239 A HN 0.809 nan 8.150 nan 0.000 0.489 240 I N 0.435 121.079 120.570 0.123 0.000 4.070 240 I HA 0.070 4.240 4.170 -0.000 0.000 0.328 240 I C 1.481 177.696 176.117 0.164 0.000 1.298 240 I CA 0.708 62.082 61.300 0.122 0.000 1.173 240 I CB -0.086 38.014 38.000 0.167 0.000 1.051 240 I HN 0.812 nan 8.210 nan 0.000 0.409 241 H N -1.380 117.718 119.070 0.046 0.000 2.652 241 H HA 0.535 5.091 4.556 -0.000 0.000 0.274 241 H C 0.393 175.738 175.328 0.029 0.000 1.021 241 H CA 0.695 56.769 56.048 0.044 0.000 1.187 241 H CB -0.231 29.560 29.762 0.048 0.000 1.505 241 H HN 0.250 nan 8.280 nan 0.000 0.530 242 T N 0.771 115.043 114.554 -0.470 0.000 2.718 242 T HA 0.432 4.782 4.350 -0.000 0.000 0.306 242 T C -3.034 171.555 174.700 -0.185 0.000 1.485 242 T CA -1.860 60.029 62.100 -0.351 0.000 0.997 242 T CB 1.473 70.023 68.868 -0.530 0.000 1.504 242 T HN -0.117 nan 8.240 nan 0.000 0.497 243 P HA 0.422 nan 4.420 nan 0.000 0.272 243 P C -0.785 176.496 177.300 -0.031 0.000 1.230 243 P CA 0.037 63.122 63.100 -0.026 0.000 0.788 243 P CB 0.438 32.135 31.700 -0.005 0.000 0.949 244 T N 1.791 116.357 114.554 0.020 0.000 2.792 244 T HA 0.241 4.591 4.350 -0.000 0.000 0.280 244 T C -0.139 174.564 174.700 0.005 0.000 0.990 244 T CA -0.271 61.836 62.100 0.011 0.000 0.960 244 T CB 0.969 69.869 68.868 0.054 0.000 0.939 244 T HN 0.314 nan 8.240 nan 0.000 0.439 245 Q N 3.078 122.878 119.800 0.001 0.000 2.288 245 Q HA 0.488 4.828 4.340 -0.000 0.000 0.258 245 Q C -1.149 174.788 176.000 -0.105 0.000 0.957 245 Q CA -0.141 55.643 55.803 -0.032 0.000 0.919 245 Q CB 0.441 29.188 28.738 0.015 0.000 1.185 245 Q HN 0.483 nan 8.270 nan 0.000 0.408 246 V N 2.421 122.181 119.914 -0.256 0.000 2.823 246 V HA 0.937 5.057 4.120 -0.000 0.000 0.312 246 V C -0.852 174.980 176.094 -0.436 0.000 1.072 246 V CA -0.691 61.366 62.300 -0.405 0.000 0.937 246 V CB 1.920 33.279 31.823 -0.773 0.000 1.013 246 V HN 0.843 nan 8.190 nan 0.000 0.430 247 A N 2.511 125.152 122.820 -0.298 0.000 2.375 247 A HA 0.722 5.042 4.320 -0.000 0.000 0.291 247 A C -0.678 176.822 177.584 -0.140 0.000 1.160 247 A CA -0.467 51.454 52.037 -0.193 0.000 0.747 247 A CB 1.013 19.937 19.000 -0.126 0.000 1.170 247 A HN 0.836 nan 8.150 nan 0.000 0.458 248 E N 2.697 122.860 120.200 -0.061 0.000 2.145 248 E HA 0.470 4.820 4.350 -0.000 0.000 0.270 248 E C -1.484 175.136 176.600 0.034 0.000 0.906 248 E CA -0.707 55.710 56.400 0.028 0.000 0.761 248 E CB 1.216 31.026 29.700 0.183 0.000 1.116 248 E HN 0.627 nan 8.360 nan 0.000 0.408 249 L N 5.334 126.559 121.223 0.004 0.000 2.276 249 L HA 0.467 4.807 4.340 -0.000 0.000 0.286 249 L C -1.076 175.801 176.870 0.011 0.000 1.061 249 L CA 0.120 54.961 54.840 0.002 0.000 0.807 249 L CB 0.750 42.799 42.059 -0.016 0.000 1.177 249 L HN 0.665 nan 8.230 nan 0.000 0.429 250 N N 3.395 122.103 118.700 0.013 0.000 2.516 250 N HA 0.233 4.973 4.740 -0.000 0.000 0.268 250 N C -0.905 174.608 175.510 0.005 0.000 1.096 250 N CA -0.461 52.594 53.050 0.009 0.000 0.954 250 N CB 1.024 39.522 38.487 0.018 0.000 1.676 250 N HN 0.820 nan 8.380 nan 0.000 0.490 251 N N 1.902 120.601 118.700 -0.002 0.000 2.721 251 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 251 N C 0.653 176.162 175.510 -0.002 0.000 1.072 251 N CA 0.720 53.769 53.050 -0.003 0.000 0.710 251 N CB -0.920 37.566 38.487 -0.001 0.000 0.993 251 N HN 0.958 nan 8.380 nan 0.000 0.547 252 G N -0.796 108.003 108.800 -0.001 0.000 2.184 252 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 252 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 252 G C -0.190 174.710 174.900 -0.000 0.000 0.975 252 G CA 0.924 46.023 45.100 -0.001 0.000 0.642 252 G HN 0.590 nan 8.290 nan 0.000 0.536 253 E N -0.834 119.368 120.200 0.003 0.000 2.312 253 E HA 0.692 5.042 4.350 -0.000 0.000 0.267 253 E C -0.425 176.181 176.600 0.010 0.000 0.894 253 E CA -0.986 55.417 56.400 0.005 0.000 0.773 253 E CB 1.978 31.682 29.700 0.007 0.000 1.241 253 E HN 0.236 nan 8.360 nan 0.000 0.432 254 I N 2.067 122.642 120.570 0.009 0.000 2.378 254 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 254 I C -0.623 175.512 176.117 0.030 0.000 0.992 254 I CA -0.615 60.691 61.300 0.011 0.000 1.154 254 I CB 1.505 39.499 38.000 -0.010 0.000 1.315 254 I HN 0.341 nan 8.210 nan 0.000 0.448 255 E N 3.958 124.198 120.200 0.067 0.000 2.171 255 E HA 0.446 4.796 4.350 -0.000 0.000 0.271 255 E C -1.082 175.599 176.600 0.135 0.000 0.916 255 E CA -0.371 56.101 56.400 0.121 0.000 0.774 255 E CB 1.937 31.745 29.700 0.180 0.000 1.128 255 E HN 0.375 nan 8.360 nan 0.000 0.403 256 S N 2.527 118.290 115.700 0.105 0.000 2.541 256 S HA 0.715 5.185 4.470 -0.000 0.000 0.283 256 S C -1.097 173.601 174.600 0.163 0.000 1.196 256 S CA -0.643 57.575 58.200 0.030 0.000 1.062 256 S CB 0.216 63.417 63.200 0.002 0.000 1.009 256 S HN 0.500 nan 8.310 nan 0.000 0.502 257 Y N -0.458 119.839 120.300 -0.005 0.000 2.774 257 Y HA 0.542 5.091 4.550 -0.000 0.000 0.346 257 Y C -1.374 174.527 175.900 0.002 0.000 1.222 257 Y CA -1.327 56.770 58.100 -0.005 0.000 1.088 257 Y CB 0.622 39.074 38.460 -0.012 0.000 1.354 257 Y HN 0.441 nan 8.280 nan 0.000 0.455 258 Q N 1.566 121.484 119.800 0.197 0.000 2.351 258 Q HA 0.789 5.129 4.340 -0.000 0.000 0.273 258 Q C -1.476 174.638 176.000 0.190 0.000 1.077 258 Q CA -1.217 54.651 55.803 0.107 0.000 0.843 258 Q CB 3.365 32.140 28.738 0.062 0.000 1.367 258 Q HN 0.710 nan 8.270 nan 0.000 0.449 259 L N 0.100 121.408 121.223 0.141 0.000 2.333 259 L HA 0.617 4.957 4.340 -0.000 0.000 0.263 259 L C -0.590 176.357 176.870 0.127 0.000 1.014 259 L CA -0.672 54.248 54.840 0.133 0.000 0.820 259 L CB 2.431 44.597 42.059 0.178 0.000 1.352 259 L HN 0.546 nan 8.230 nan 0.000 0.421 260 S N 0.348 116.115 115.700 0.113 0.000 2.600 260 S HA 0.417 4.887 4.470 -0.000 0.000 0.300 260 S C -2.126 172.610 174.600 0.226 0.000 1.087 260 S CA -1.059 57.213 58.200 0.120 0.000 0.965 260 S CB 2.302 65.537 63.200 0.059 0.000 1.089 260 S HN 0.367 nan 8.310 nan 0.000 0.496 261 P HA -0.168 nan 4.420 nan 0.000 0.217 261 P C 1.474 178.929 177.300 0.257 0.000 1.148 261 P CA 1.007 64.262 63.100 0.259 0.000 0.828 261 P CB 0.216 31.980 31.700 0.106 0.000 0.783 262 Q N 0.098 119.978 119.800 0.133 0.000 2.226 262 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 262 Q C 1.399 177.438 176.000 0.065 0.000 0.975 262 Q CA 1.659 57.511 55.803 0.082 0.000 0.866 262 Q CB -1.120 27.640 28.738 0.036 0.000 0.915 262 Q HN 0.200 nan 8.270 nan 0.000 0.440 263 D N -0.861 119.555 120.400 0.027 0.000 2.310 263 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 263 D C 0.508 176.680 176.300 -0.212 0.000 0.965 263 D CA 0.794 54.712 54.000 -0.136 0.000 0.879 263 D CB -0.041 40.603 40.800 -0.260 0.000 0.921 263 D HN 0.370 nan 8.370 nan 0.000 0.510 264 F N -0.363 119.610 119.950 0.038 0.000 2.727 264 F HA 0.272 4.799 4.527 -0.000 0.000 0.302 264 F C 1.768 177.593 175.800 0.041 0.000 1.097 264 F CA 0.062 58.089 58.000 0.045 0.000 1.330 264 F CB 0.363 39.393 39.000 0.051 0.000 1.084 264 F HN -0.070 nan 8.300 nan 0.000 0.578 265 G N 1.450 110.358 108.800 0.179 0.000 2.176 265 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 265 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 265 G C -0.187 174.786 174.900 0.122 0.000 1.024 265 G CA -0.078 45.093 45.100 0.118 0.000 0.755 265 G HN 0.302 nan 8.290 nan 0.000 0.507 266 L N -0.644 120.668 121.223 0.149 0.000 2.334 266 L HA 0.636 4.976 4.340 -0.000 0.000 0.273 266 L C 0.575 177.472 176.870 0.045 0.000 1.013 266 L CA -1.325 53.583 54.840 0.113 0.000 0.816 266 L CB 1.696 43.833 42.059 0.129 0.000 1.278 266 L HN 0.199 nan 8.230 nan 0.000 0.431 267 Q N 1.236 121.024 119.800 -0.020 0.000 2.421 267 Q HA 0.128 4.468 4.340 -0.000 0.000 0.255 267 Q C -0.340 175.475 176.000 -0.307 0.000 1.013 267 Q CA 0.315 55.989 55.803 -0.215 0.000 0.895 267 Q CB 1.324 29.822 28.738 -0.401 0.000 1.271 267 Q HN 0.529 nan 8.270 nan 0.000 0.460 268 S N 3.263 118.780 115.700 -0.306 0.000 2.410 268 S HA 0.433 4.903 4.470 -0.000 0.000 0.304 268 S C -1.364 173.067 174.600 -0.281 0.000 1.095 268 S CA -0.445 57.646 58.200 -0.182 0.000 1.089 268 S CB -0.167 62.992 63.200 -0.069 0.000 0.968 268 S HN 0.492 nan 8.310 nan 0.000 0.480 269 Y N 2.235 122.574 120.300 0.066 0.000 2.453 269 Y HA 0.453 5.003 4.550 -0.000 0.000 0.326 269 Y C 1.015 176.970 175.900 0.091 0.000 1.186 269 Y CA -0.584 57.554 58.100 0.063 0.000 1.200 269 Y CB 1.093 39.583 38.460 0.050 0.000 1.247 269 Y HN 0.578 nan 8.280 nan 0.000 0.482 270 S N 1.513 117.355 115.700 0.236 0.000 2.579 270 S HA 0.039 4.509 4.470 -0.000 0.000 0.275 270 S C 1.183 175.827 174.600 0.074 0.000 1.345 270 S CA -0.534 57.752 58.200 0.145 0.000 1.031 270 S CB 0.283 63.541 63.200 0.097 0.000 0.892 270 S HN 0.815 nan 8.310 nan 0.000 0.529 271 L N 3.972 125.154 121.223 -0.068 0.000 2.131 271 L HA -0.119 4.220 4.340 -0.000 0.000 0.210 271 L C 1.749 178.558 176.870 -0.102 0.000 1.092 271 L CA 1.456 56.134 54.840 -0.269 0.000 0.759 271 L CB -0.432 41.323 42.059 -0.507 0.000 0.903 271 L HN 0.665 nan 8.230 nan 0.000 0.435 272 N N 0.531 119.208 118.700 -0.038 0.000 2.364 272 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 272 N C 1.647 177.169 175.510 0.019 0.000 1.022 272 N CA 1.202 54.247 53.050 -0.008 0.000 0.883 272 N CB -0.228 38.263 38.487 0.007 0.000 0.965 272 N HN 0.474 nan 8.380 nan 0.000 0.438 273 A N 0.065 122.909 122.820 0.040 0.000 2.209 273 A HA 0.085 4.405 4.320 -0.000 0.000 0.212 273 A C 1.687 179.343 177.584 0.121 0.000 1.158 273 A CA 0.449 52.519 52.037 0.055 0.000 0.742 273 A CB -0.193 18.835 19.000 0.048 0.000 0.790 273 A HN 0.220 nan 8.150 nan 0.000 0.472 274 L N -0.573 120.692 121.223 0.070 0.000 2.769 274 L HA 0.157 4.497 4.340 -0.000 0.000 0.240 274 L C 0.613 177.463 176.870 -0.032 0.000 1.163 274 L CA -0.416 54.437 54.840 0.022 0.000 0.962 274 L CB -0.079 41.957 42.059 -0.039 0.000 1.258 274 L HN 0.305 nan 8.230 nan 0.000 0.513 275 Q N 1.842 121.648 119.800 0.010 0.000 2.300 275 Q HA 0.289 4.629 4.340 -0.000 0.000 0.280 275 Q C 0.350 176.343 176.000 -0.012 0.000 1.033 275 Q CA 0.391 56.189 55.803 -0.008 0.000 0.903 275 Q CB 1.239 29.979 28.738 0.004 0.000 1.195 275 Q HN 0.264 nan 8.270 nan 0.000 0.386 276 G N 1.516 110.297 108.800 -0.031 0.000 2.568 276 G HA2 0.716 4.676 3.960 -0.000 0.000 0.293 276 G HA3 0.716 4.676 3.960 -0.000 0.000 0.293 276 G C -0.351 174.539 174.900 -0.016 0.000 1.347 276 G CA -0.315 44.765 45.100 -0.032 0.000 1.039 276 G HN 0.818 nan 8.290 nan 0.000 0.523 277 G N -1.662 107.128 108.800 -0.018 0.000 3.100 277 G HA2 0.562 4.522 3.960 -0.000 0.000 0.174 277 G HA3 0.562 4.522 3.960 -0.000 0.000 0.174 277 G C 0.219 175.108 174.900 -0.019 0.000 1.136 277 G CA 0.570 45.661 45.100 -0.014 0.000 0.881 277 G HN 1.141 nan 8.290 nan 0.000 0.616 278 T N -0.275 114.266 114.554 -0.021 0.000 2.813 278 T HA 0.360 4.710 4.350 -0.000 0.000 0.297 278 T C -1.508 173.170 174.700 -0.036 0.000 1.036 278 T CA -0.514 61.571 62.100 -0.026 0.000 1.044 278 T CB 1.601 70.454 68.868 -0.026 0.000 0.993 278 T HN 0.075 nan 8.240 nan 0.000 0.535 279 P HA -0.120 nan 4.420 nan 0.000 0.216 279 P C 1.485 178.737 177.300 -0.081 0.000 1.153 279 P CA 1.272 64.336 63.100 -0.059 0.000 0.858 279 P CB 0.066 31.731 31.700 -0.059 0.000 0.789 280 E N -0.076 120.079 120.200 -0.073 0.000 2.072 280 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 280 E C 1.771 178.328 176.600 -0.070 0.000 0.985 280 E CA 1.087 57.436 56.400 -0.085 0.000 0.801 280 E CB -0.218 29.442 29.700 -0.066 0.000 0.750 280 E HN 0.272 nan 8.360 nan 0.000 0.452 281 E N 0.108 120.280 120.200 -0.047 0.000 2.106 281 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 281 E C 1.942 178.528 176.600 -0.023 0.000 0.984 281 E CA 0.919 57.301 56.400 -0.029 0.000 0.806 281 E CB 0.021 29.709 29.700 -0.019 0.000 0.750 281 E HN 0.254 nan 8.360 nan 0.000 0.458 282 N N 0.798 119.477 118.700 -0.035 0.000 2.188 282 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 282 N C 1.674 177.172 175.510 -0.019 0.000 1.018 282 N CA 0.713 53.747 53.050 -0.028 0.000 0.858 282 N CB -0.241 38.225 38.487 -0.036 0.000 0.989 282 N HN 0.132 nan 8.380 nan 0.000 0.426 283 R N 1.167 121.618 120.500 -0.082 0.000 2.083 283 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 283 R C 0.825 177.120 176.300 -0.008 0.000 1.137 283 R CA 1.648 57.644 56.100 -0.173 0.000 0.951 283 R CB -0.048 30.035 30.300 -0.360 0.000 0.851 283 R HN 0.086 nan 8.270 nan 0.000 0.434 284 D N 0.542 120.934 120.400 -0.014 0.000 2.144 284 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 284 D C 1.962 178.302 176.300 0.066 0.000 0.984 284 D CA 0.796 54.815 54.000 0.033 0.000 0.834 284 D CB -0.106 40.691 40.800 -0.004 0.000 0.955 284 D HN 0.228 nan 8.370 nan 0.000 0.465 285 I N 0.997 121.604 120.570 0.063 0.000 2.163 285 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 285 I C 2.527 178.712 176.117 0.115 0.000 1.085 285 I CA 0.754 62.109 61.300 0.091 0.000 1.347 285 I CB -0.911 37.130 38.000 0.068 0.000 1.044 285 I HN 0.102 nan 8.210 nan 0.000 0.408 286 L N 0.486 121.792 121.223 0.138 0.000 2.056 286 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 286 L C 2.677 179.664 176.870 0.195 0.000 1.078 286 L CA 1.570 56.516 54.840 0.176 0.000 0.749 286 L CB -0.291 41.928 42.059 0.266 0.000 0.901 286 L HN 0.194 nan 8.230 nan 0.000 0.433 287 A N 0.074 123.079 122.820 0.308 0.000 1.877 287 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 287 A C 2.274 179.809 177.584 -0.080 0.000 1.186 287 A CA 1.596 53.736 52.037 0.173 0.000 0.620 287 A CB -0.561 18.599 19.000 0.266 0.000 0.822 287 A HN 0.408 nan 8.150 nan 0.000 0.443 288 R N -1.228 119.253 120.500 -0.032 0.000 2.091 288 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 288 R C 2.135 178.413 176.300 -0.037 0.000 1.136 288 R CA 1.478 57.538 56.100 -0.065 0.000 0.959 288 R CB -0.660 29.624 30.300 -0.027 0.000 0.856 288 R HN 0.493 nan 8.270 nan 0.000 0.437 289 L N 1.253 122.491 121.223 0.025 0.000 1.989 289 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 289 L C 2.005 178.887 176.870 0.020 0.000 1.071 289 L CA 1.741 56.606 54.840 0.041 0.000 0.749 289 L CB -0.497 41.614 42.059 0.086 0.000 0.890 289 L HN 0.141 nan 8.230 nan 0.000 0.431 290 L N -1.119 120.123 121.223 0.032 0.000 2.362 290 L HA -0.162 4.178 4.340 -0.000 0.000 0.219 290 L C 2.232 179.120 176.870 0.031 0.000 1.134 290 L CA 0.776 55.645 54.840 0.048 0.000 0.807 290 L CB -0.461 41.645 42.059 0.078 0.000 0.927 290 L HN 0.454 nan 8.230 nan 0.000 0.447 291 Q N -0.258 119.502 119.800 -0.067 0.000 2.403 291 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 291 Q C 1.282 177.237 176.000 -0.075 0.000 0.932 291 Q CA 0.501 56.227 55.803 -0.130 0.000 0.945 291 Q CB 0.507 29.058 28.738 -0.313 0.000 1.045 291 Q HN 0.556 nan 8.270 nan 0.000 0.511 292 G N 1.628 110.401 108.800 -0.046 0.000 2.137 292 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.237 292 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.237 292 G C 0.320 175.192 174.900 -0.046 0.000 1.002 292 G CA 0.303 45.382 45.100 -0.035 0.000 0.702 292 G HN 0.314 nan 8.290 nan 0.000 0.515 293 K N -0.006 120.359 120.400 -0.058 0.000 2.564 293 K HA 0.410 4.730 4.320 -0.000 0.000 0.205 293 K C 1.316 177.880 176.600 -0.060 0.000 1.053 293 K CA 0.050 56.300 56.287 -0.062 0.000 1.072 293 K CB 1.244 33.699 32.500 -0.075 0.000 0.822 293 K HN 0.370 nan 8.250 nan 0.000 0.497 294 G N 0.560 109.330 108.800 -0.050 0.000 2.557 294 G HA2 0.123 4.083 3.960 -0.000 0.000 0.292 294 G HA3 0.123 4.083 3.960 -0.000 0.000 0.292 294 G C -0.595 174.220 174.900 -0.141 0.000 1.237 294 G CA -0.502 44.566 45.100 -0.053 0.000 0.978 294 G HN -0.001 nan 8.290 nan 0.000 0.498 295 D N -0.450 119.771 120.400 -0.298 0.000 2.414 295 D HA 0.353 4.993 4.640 -0.000 0.000 0.242 295 D C 1.428 177.507 176.300 -0.369 0.000 1.129 295 D CA 0.487 54.206 54.000 -0.468 0.000 0.885 295 D CB 1.446 41.647 40.800 -0.998 0.000 1.198 295 D HN 0.350 nan 8.370 nan 0.000 0.437 296 A N 2.353 124.973 122.820 -0.333 0.000 1.940 296 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 296 A C 2.031 179.308 177.584 -0.511 0.000 1.176 296 A CA 2.083 53.928 52.037 -0.319 0.000 0.631 296 A CB -0.702 18.143 19.000 -0.258 0.000 0.814 296 A HN 0.602 nan 8.150 nan 0.000 0.446 297 A N -0.863 121.501 122.820 -0.760 0.000 1.969 297 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 297 A C 1.892 179.392 177.584 -0.140 0.000 1.169 297 A CA 1.517 53.109 52.037 -0.740 0.000 0.635 297 A CB -0.948 17.728 19.000 -0.540 0.000 0.810 297 A HN 0.789 nan 8.150 nan 0.000 0.445 298 H N -0.793 118.158 119.070 -0.200 0.000 2.326 298 H HA 0.002 4.558 4.556 -0.000 0.000 0.301 298 H C 2.560 177.841 175.328 -0.077 0.000 1.081 298 H CA 0.641 56.628 56.048 -0.102 0.000 1.334 298 H CB 0.009 29.725 29.762 -0.076 0.000 1.385 298 H HN 0.562 nan 8.280 nan 0.000 0.504 299 A N 1.360 124.204 122.820 0.041 0.000 1.933 299 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 299 A C 2.586 180.176 177.584 0.010 0.000 1.175 299 A CA 1.964 54.009 52.037 0.014 0.000 0.628 299 A CB -0.930 18.062 19.000 -0.013 0.000 0.814 299 A HN 0.511 nan 8.150 nan 0.000 0.444 300 R N -1.696 118.809 120.500 0.010 0.000 2.075 300 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 300 R C 2.550 178.855 176.300 0.009 0.000 1.126 300 R CA 2.442 58.575 56.100 0.055 0.000 0.963 300 R CB -1.857 28.564 30.300 0.202 0.000 0.858 300 R HN 0.854 nan 8.270 nan 0.000 0.435 301 Q N 0.191 120.002 119.800 0.019 0.000 2.084 301 Q HA 0.011 4.351 4.340 -0.000 0.000 0.202 301 Q C 2.597 178.568 176.000 -0.049 0.000 0.978 301 Q CA 1.871 57.666 55.803 -0.013 0.000 0.844 301 Q CB -0.980 27.767 28.738 0.014 0.000 0.898 301 Q HN 0.515 nan 8.270 nan 0.000 0.426 302 V N 0.862 120.764 119.914 -0.020 0.000 2.343 302 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 302 V C 2.871 178.943 176.094 -0.036 0.000 1.051 302 V CA 1.736 64.027 62.300 -0.016 0.000 1.036 302 V CB -1.167 30.664 31.823 0.013 0.000 0.654 302 V HN 0.760 nan 8.190 nan 0.000 0.451 303 A N 0.104 122.900 122.820 -0.039 0.000 1.917 303 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 303 A C 2.418 179.927 177.584 -0.125 0.000 1.182 303 A CA 2.353 54.364 52.037 -0.045 0.000 0.633 303 A CB -0.795 18.195 19.000 -0.018 0.000 0.819 303 A HN 0.592 nan 8.150 nan 0.000 0.448 304 A N -0.035 122.615 122.820 -0.283 0.000 1.898 304 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 304 A C 1.894 179.237 177.584 -0.401 0.000 1.181 304 A CA 1.889 53.493 52.037 -0.720 0.000 0.620 304 A CB -0.685 17.781 19.000 -0.890 0.000 0.819 304 A HN 0.621 nan 8.150 nan 0.000 0.442 305 N N -0.275 118.316 118.700 -0.182 0.000 2.171 305 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 305 N C 1.451 176.972 175.510 0.018 0.000 1.021 305 N CA 1.361 54.379 53.050 -0.053 0.000 0.854 305 N CB -0.265 38.206 38.487 -0.027 0.000 0.994 305 N HN 0.205 nan 8.380 nan 0.000 0.426 306 V N 1.008 120.928 119.914 0.011 0.000 2.407 306 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 306 V C 2.258 178.404 176.094 0.087 0.000 1.055 306 V CA 1.790 64.116 62.300 0.043 0.000 1.049 306 V CB -0.980 30.857 31.823 0.023 0.000 0.662 306 V HN 0.356 nan 8.190 nan 0.000 0.455 307 A N -0.201 122.683 122.820 0.107 0.000 1.883 307 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 307 A C 2.162 179.908 177.584 0.270 0.000 1.186 307 A CA 2.217 54.385 52.037 0.218 0.000 0.624 307 A CB -0.571 18.656 19.000 0.380 0.000 0.822 307 A HN 0.446 nan 8.150 nan 0.000 0.444 308 L N -0.968 120.432 121.223 0.295 0.000 2.109 308 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 308 L C 2.202 179.194 176.870 0.203 0.000 1.086 308 L CA 1.701 56.703 54.840 0.270 0.000 0.760 308 L CB -0.643 41.579 42.059 0.271 0.000 0.910 308 L HN 0.379 nan 8.230 nan 0.000 0.437 309 L N -0.733 120.599 121.223 0.182 0.000 2.042 309 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 309 L C 2.224 179.282 176.870 0.314 0.000 1.076 309 L CA 1.858 56.826 54.840 0.213 0.000 0.749 309 L CB -0.599 41.569 42.059 0.182 0.000 0.893 309 L HN 0.265 nan 8.230 nan 0.000 0.432 310 L N -0.483 120.886 121.223 0.242 0.000 2.275 310 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 310 L C 2.550 179.586 176.870 0.276 0.000 1.119 310 L CA 1.193 56.183 54.840 0.250 0.000 0.790 310 L CB -0.629 41.503 42.059 0.122 0.000 0.919 310 L HN 0.372 nan 8.230 nan 0.000 0.443 311 K N 0.904 121.436 120.400 0.219 0.000 2.211 311 K HA -0.132 4.188 4.320 -0.000 0.000 0.203 311 K C 1.979 178.668 176.600 0.149 0.000 1.050 311 K CA 0.948 57.336 56.287 0.167 0.000 0.945 311 K CB 0.041 32.628 32.500 0.146 0.000 0.732 311 K HN 0.321 nan 8.250 nan 0.000 0.451 312 L N -0.040 121.277 121.223 0.157 0.000 2.376 312 L HA -0.062 4.278 4.340 -0.000 0.000 0.219 312 L C 1.100 177.917 176.870 -0.088 0.000 1.133 312 L CA 0.594 55.443 54.840 0.016 0.000 0.816 312 L CB -0.120 41.909 42.059 -0.050 0.000 0.933 312 L HN 0.098 nan 8.230 nan 0.000 0.449 313 F N -0.319 119.662 119.950 0.052 0.000 2.660 313 F HA 0.288 4.815 4.527 0.000 0.000 0.302 313 F C 1.653 177.480 175.800 0.046 0.000 1.103 313 F CA 0.476 58.505 58.000 0.049 0.000 1.340 313 F CB 0.339 39.371 39.000 0.053 0.000 1.048 313 F HN 0.116 nan 8.300 nan 0.000 0.551 314 G N -0.185 108.715 108.800 0.166 0.000 2.176 314 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.232 314 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.232 314 G C 0.233 175.198 174.900 0.109 0.000 0.986 314 G CA -0.462 44.706 45.100 0.114 0.000 0.643 314 G HN 0.234 nan 8.290 nan 0.000 0.522 315 Q N 1.381 121.265 119.800 0.140 0.000 2.472 315 Q HA 0.461 4.801 4.340 -0.000 0.000 0.227 315 Q C 0.731 176.794 176.000 0.104 0.000 1.156 315 Q CA -0.206 55.670 55.803 0.122 0.000 0.924 315 Q CB 1.037 29.859 28.738 0.141 0.000 1.354 315 Q HN 0.284 nan 8.270 nan 0.000 0.525 316 D N 0.842 121.282 120.400 0.067 0.000 2.317 316 D HA -0.104 4.536 4.640 -0.000 0.000 0.211 316 D C -0.071 176.244 176.300 0.025 0.000 0.966 316 D CA 0.575 54.598 54.000 0.037 0.000 0.876 316 D CB 0.179 40.984 40.800 0.008 0.000 0.927 316 D HN 0.460 nan 8.370 nan 0.000 0.519 317 N N 1.048 119.776 118.700 0.048 0.000 2.555 317 N HA 0.080 4.820 4.740 -0.000 0.000 0.244 317 N C 1.366 176.932 175.510 0.092 0.000 1.114 317 N CA -0.275 52.803 53.050 0.048 0.000 0.963 317 N CB 0.379 38.893 38.487 0.046 0.000 1.276 317 N HN -0.050 nan 8.380 nan 0.000 0.510 318 L N 2.293 123.532 121.223 0.026 0.000 2.042 318 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 318 L C 2.658 179.599 176.870 0.119 0.000 1.076 318 L CA 1.174 56.037 54.840 0.039 0.000 0.749 318 L CB -0.397 41.524 42.059 -0.229 0.000 0.893 318 L HN 0.625 nan 8.230 nan 0.000 0.432 319 R N -0.431 120.108 120.500 0.066 0.000 2.073 319 R HA -0.253 4.087 4.340 -0.000 0.000 0.234 319 R C 2.415 178.809 176.300 0.156 0.000 1.134 319 R CA 1.996 58.166 56.100 0.116 0.000 0.952 319 R CB -0.372 29.970 30.300 0.071 0.000 0.850 319 R HN 0.355 nan 8.270 nan 0.000 0.433 320 H N 0.823 119.926 119.070 0.054 0.000 2.321 320 H HA -0.047 4.508 4.556 -0.000 0.000 0.300 320 H C 1.688 177.057 175.328 0.068 0.000 1.087 320 H CA 2.365 58.444 56.048 0.051 0.000 1.319 320 H CB -0.171 29.611 29.762 0.035 0.000 1.379 320 H HN 0.312 nan 8.280 nan 0.000 0.501 321 N N 0.373 119.139 118.700 0.110 0.000 2.104 321 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 321 N C 1.993 177.531 175.510 0.048 0.000 1.024 321 N CA 1.448 54.534 53.050 0.059 0.000 0.853 321 N CB -0.794 37.776 38.487 0.140 0.000 1.008 321 N HN 0.526 nan 8.380 nan 0.000 0.424 322 A N 0.760 123.656 122.820 0.127 0.000 1.902 322 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 322 A C 2.245 179.856 177.584 0.045 0.000 1.181 322 A CA 1.732 53.839 52.037 0.116 0.000 0.623 322 A CB -0.695 18.439 19.000 0.223 0.000 0.818 322 A HN 0.287 nan 8.150 nan 0.000 0.443 323 Q N 0.297 120.112 119.800 0.024 0.000 2.061 323 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 323 Q C 1.775 177.743 176.000 -0.053 0.000 0.984 323 Q CA 2.007 57.804 55.803 -0.009 0.000 0.846 323 Q CB -0.611 28.118 28.738 -0.016 0.000 0.902 323 Q HN 0.633 nan 8.270 nan 0.000 0.421 324 L N -0.280 120.870 121.223 -0.122 0.000 2.217 324 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 324 L C 2.343 179.180 176.870 -0.056 0.000 1.107 324 L CA 0.732 55.502 54.840 -0.118 0.000 0.783 324 L CB -0.691 41.249 42.059 -0.198 0.000 0.919 324 L HN 0.316 nan 8.230 nan 0.000 0.442 325 A N 0.264 123.064 122.820 -0.033 0.000 1.930 325 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 325 A C 2.237 179.819 177.584 -0.004 0.000 1.175 325 A CA 1.147 53.178 52.037 -0.011 0.000 0.627 325 A CB -0.519 18.483 19.000 0.004 0.000 0.815 325 A HN 0.343 nan 8.150 nan 0.000 0.443 326 L N -0.711 120.511 121.223 -0.002 0.000 2.141 326 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 326 L C 2.535 179.404 176.870 -0.002 0.000 1.094 326 L CA 1.481 56.324 54.840 0.004 0.000 0.763 326 L CB -0.475 41.592 42.059 0.014 0.000 0.908 326 L HN 0.487 nan 8.230 nan 0.000 0.437 327 E N -0.700 119.494 120.200 -0.010 0.000 2.072 327 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 327 E C 2.088 178.684 176.600 -0.008 0.000 0.982 327 E CA 1.564 57.958 56.400 -0.011 0.000 0.803 327 E CB -0.052 29.636 29.700 -0.019 0.000 0.755 327 E HN 0.404 nan 8.360 nan 0.000 0.453 328 T N 1.434 115.982 114.554 -0.009 0.000 2.746 328 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 328 T C 1.964 176.667 174.700 0.006 0.000 1.039 328 T CA 0.871 62.970 62.100 -0.003 0.000 1.142 328 T CB -0.154 68.712 68.868 -0.003 0.000 0.866 328 T HN 0.102 nan 8.240 nan 0.000 0.444 329 I N 0.536 121.110 120.570 0.007 0.000 2.226 329 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 329 I C 2.817 178.936 176.117 0.003 0.000 1.100 329 I CA 1.282 62.589 61.300 0.011 0.000 1.374 329 I CB -0.306 37.701 38.000 0.012 0.000 1.057 329 I HN 0.107 nan 8.210 nan 0.000 0.413 330 R N 0.598 121.097 120.500 -0.002 0.000 2.120 330 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 330 R C 2.530 178.825 176.300 -0.008 0.000 1.123 330 R CA 1.732 57.827 56.100 -0.008 0.000 0.975 330 R CB -0.375 29.921 30.300 -0.007 0.000 0.866 330 R HN 0.480 nan 8.270 nan 0.000 0.446 331 S N -0.711 114.987 115.700 -0.003 0.000 2.442 331 S HA -0.059 4.411 4.470 -0.000 0.000 0.236 331 S C 1.669 176.270 174.600 0.001 0.000 1.007 331 S CA 1.028 59.227 58.200 -0.002 0.000 0.965 331 S CB -0.103 63.097 63.200 0.001 0.000 0.773 331 S HN 0.541 nan 8.310 nan 0.000 0.504 332 G N 0.153 108.956 108.800 0.005 0.000 2.184 332 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.264 332 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.264 332 G C 0.833 175.758 174.900 0.041 0.000 0.975 332 G CA 0.998 46.106 45.100 0.015 0.000 0.642 332 G HN 0.622 nan 8.290 nan 0.000 0.536 333 T N 0.131 114.701 114.554 0.026 0.000 2.803 333 T HA 0.119 4.469 4.350 -0.000 0.000 0.269 333 T C 2.680 177.392 174.700 0.020 0.000 1.052 333 T CA 2.486 64.599 62.100 0.022 0.000 1.136 333 T CB -0.377 68.498 68.868 0.012 0.000 0.864 333 T HN 1.288 nan 8.240 nan 0.000 0.467 334 A N -0.188 122.650 122.820 0.029 0.000 2.015 334 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 334 A C 1.938 179.465 177.584 -0.094 0.000 1.163 334 A CA 1.102 53.151 52.037 0.021 0.000 0.646 334 A CB -0.875 18.163 19.000 0.063 0.000 0.806 334 A HN 0.652 nan 8.150 nan 0.000 0.448 335 F N 1.601 121.434 119.950 -0.194 0.000 2.259 335 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 335 F C 2.311 177.938 175.800 -0.289 0.000 1.088 335 F CA 1.764 59.578 58.000 -0.311 0.000 1.358 335 F CB -0.059 38.794 39.000 -0.245 0.000 1.040 335 F HN 0.512 nan 8.300 nan 0.000 0.505 336 E N -0.196 119.921 120.200 -0.138 0.000 2.347 336 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 336 E C 2.200 178.659 176.600 -0.235 0.000 1.008 336 E CA 0.648 56.944 56.400 -0.174 0.000 0.852 336 E CB -0.500 29.183 29.700 -0.028 0.000 0.783 336 E HN 0.426 nan 8.360 nan 0.000 0.505 337 R N 0.835 121.205 120.500 -0.216 0.000 2.148 337 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 337 R C 2.039 178.195 176.300 -0.240 0.000 1.088 337 R CA 0.769 56.806 56.100 -0.105 0.000 0.985 337 R CB 0.086 30.429 30.300 0.072 0.000 0.880 337 R HN 0.097 nan 8.270 nan 0.000 0.451 338 V N -0.007 119.469 119.914 -0.730 0.000 2.358 338 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 338 V C 2.010 177.735 176.094 -0.614 0.000 1.047 338 V CA 2.215 63.887 62.300 -1.046 0.000 1.035 338 V CB -0.382 30.480 31.823 -1.602 0.000 0.658 338 V HN 0.419 nan 8.190 nan 0.000 0.452 339 T N 0.505 114.673 114.554 -0.643 0.000 2.746 339 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 339 T C 2.066 176.654 174.700 -0.186 0.000 1.039 339 T CA 1.577 63.452 62.100 -0.376 0.000 1.142 339 T CB -0.417 68.268 68.868 -0.305 0.000 0.866 339 T HN 0.560 nan 8.240 nan 0.000 0.444 340 A N 1.307 124.035 122.820 -0.154 0.000 1.902 340 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 340 A C 2.232 179.803 177.584 -0.021 0.000 1.181 340 A CA 1.275 53.274 52.037 -0.062 0.000 0.623 340 A CB -0.786 18.193 19.000 -0.036 0.000 0.818 340 A HN 0.403 nan 8.150 nan 0.000 0.443 341 L N -0.265 120.958 121.223 0.000 0.000 2.093 341 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 341 L C 2.607 179.499 176.870 0.037 0.000 1.085 341 L CA 2.026 56.905 54.840 0.065 0.000 0.755 341 L CB -0.796 41.367 42.059 0.175 0.000 0.904 341 L HN 0.333 nan 8.230 nan 0.000 0.435 342 A N -0.583 122.229 122.820 -0.013 0.000 2.019 342 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 342 A C 2.320 179.906 177.584 0.003 0.000 1.164 342 A CA 1.466 53.499 52.037 -0.006 0.000 0.644 342 A CB -0.935 18.042 19.000 -0.039 0.000 0.805 342 A HN 0.539 nan 8.150 nan 0.000 0.449 343 A N -0.979 121.838 122.820 -0.005 0.000 2.167 343 A HA 0.138 4.458 4.320 -0.000 0.000 0.214 343 A C 1.437 179.031 177.584 0.016 0.000 1.151 343 A CA 0.064 52.103 52.037 0.003 0.000 0.735 343 A CB -0.104 18.892 19.000 -0.006 0.000 0.802 343 A HN 0.360 nan 8.150 nan 0.000 0.467 344 R N 0.000 120.517 120.500 0.028 0.000 2.786 344 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 344 R CA 0.000 56.123 56.100 0.039 0.000 0.921 344 R CB 0.000 30.332 30.300 0.054 0.000 0.687 344 R HN 0.000 nan 8.270 nan 0.000 0.535