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 1qvb_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKFPKDFMIG YSSSPFQFEA GIPGSEDPNS DWWVWVHDPE NTAAGLVSGD DATA SEQUENCE FPENGPGYWN LNQNDHDLAE KLGVNTIRVG VEWSRIFPKP TFNVKVPVER DATA SEQUENCE DENGSIVHVD VDDKAVERLD ELANKEAVNH YVEMYKDWVE RGRKLILNLY DATA SEQUENCE HWPLPLWLHN PIMVRRMGPD RAPSGWLNEE SVVEFAKYAA YIAWKMGELP DATA SEQUENCE VMWSTMNEPN VVYEQGYMFV KGGFPPGYLS LEAADKARRN MIQAHARAYD DATA SEQUENCE NIKRFSKKPV GLIYAFQWFE LLEGPAEVFD KFKSSKLYYF TDIVSKGSSI DATA SEQUENCE INVEYRRDLA NRLDWLGVNY YSRLVYKIVD DKPIILHGYG FLCTPGGISP DATA SEQUENCE AENPCSDFGW EVYPEGLYLL LKELYNRYGV DLIVTENGVS DSRDALRPAY DATA SEQUENCE LVSHVYSVWK AANEGIPVKG YLHWSLTDNY EWAQGFRQKF GLVMVDFKTK DATA SEQUENCE KRYLRPSALV FREIATHNGI PDELQHLTLI Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.731 176.300 -0.948 0.000 1.140 1 M CA 0.000 54.304 55.300 -1.660 0.000 0.988 1 M CB 0.000 32.011 32.600 -0.981 0.000 1.302 2 K N -0.162 119.990 120.400 -0.413 0.000 2.435 2 K HA 0.733 5.053 4.320 -0.000 0.000 0.251 2 K C -1.089 175.507 176.600 -0.007 0.000 0.954 2 K CA -0.691 55.533 56.287 -0.105 0.000 0.820 2 K CB 2.154 34.687 32.500 0.055 0.000 1.292 2 K HN 0.004 nan 8.250 nan 0.000 0.436 3 F N 1.351 121.336 119.950 0.059 0.000 2.380 3 F HA 0.352 4.878 4.527 -0.000 0.000 0.319 3 F C -1.669 174.120 175.800 -0.019 0.000 1.113 3 F CA -1.989 55.920 58.000 -0.151 0.000 1.056 3 F CB 0.024 38.576 39.000 -0.747 0.000 1.289 3 F HN 0.288 nan 8.300 nan 0.000 0.515 4 P HA 0.057 nan 4.420 nan 0.000 0.271 4 P C 0.191 177.615 177.300 0.206 0.000 1.238 4 P CA -0.047 63.160 63.100 0.178 0.000 0.794 4 P CB 0.605 32.411 31.700 0.176 0.000 0.959 5 K N 0.510 120.993 120.400 0.139 0.000 2.000 5 K HA -0.177 4.143 4.320 -0.000 0.000 0.218 5 K C 0.763 177.445 176.600 0.138 0.000 1.053 5 K CA 1.881 58.237 56.287 0.116 0.000 0.946 5 K CB -0.488 32.056 32.500 0.073 0.000 0.723 5 K HN 0.514 nan 8.250 nan 0.000 0.446 6 D N 0.208 120.684 120.400 0.126 0.000 2.413 6 D HA -0.000 4.639 4.640 -0.000 0.000 0.237 6 D C -0.358 176.020 176.300 0.130 0.000 1.171 6 D CA -0.012 54.048 54.000 0.099 0.000 0.839 6 D CB -0.513 40.315 40.800 0.047 0.000 0.950 6 D HN 0.060 nan 8.370 nan 0.000 0.499 7 F N 1.557 121.533 119.950 0.044 0.000 2.543 7 F HA 0.089 4.616 4.527 -0.000 0.000 0.375 7 F C 0.596 176.388 175.800 -0.013 0.000 1.075 7 F CA -0.445 57.563 58.000 0.013 0.000 1.225 7 F CB 0.410 39.442 39.000 0.053 0.000 1.099 7 F HN -0.226 nan 8.300 nan 0.000 0.561 8 M N 7.835 127.091 119.600 -0.574 0.000 2.188 8 M HA 0.321 4.801 4.480 -0.000 0.000 0.354 8 M C -0.785 175.257 176.300 -0.431 0.000 1.342 8 M CA 0.413 55.472 55.300 -0.403 0.000 1.117 8 M CB 0.556 32.942 32.600 -0.356 0.000 1.670 8 M HN 0.429 nan 8.290 nan 0.000 0.466 9 I N 2.249 122.780 120.570 -0.065 0.000 2.533 9 I HA 0.807 4.977 4.170 -0.000 0.000 0.290 9 I C 0.309 176.586 176.117 0.268 0.000 1.056 9 I CA -0.413 60.968 61.300 0.134 0.000 1.057 9 I CB 2.113 40.223 38.000 0.185 0.000 1.240 9 I HN 0.906 nan 8.210 nan 0.000 0.423 10 G N 4.699 113.743 108.800 0.407 0.000 2.539 10 G HA2 0.361 4.321 3.960 -0.000 0.000 0.138 10 G HA3 0.361 4.321 3.960 -0.000 0.000 0.138 10 G C -1.927 173.167 174.900 0.324 0.000 1.148 10 G CA -0.223 45.112 45.100 0.391 0.000 1.057 10 G HN 0.613 nan 8.290 nan 0.000 0.511 11 Y N -1.281 118.998 120.300 -0.034 0.000 2.705 11 Y HA 0.864 5.414 4.550 -0.000 0.000 0.332 11 Y C -0.527 175.266 175.900 -0.179 0.000 1.221 11 Y CA -1.007 57.029 58.100 -0.106 0.000 1.059 11 Y CB 1.124 39.465 38.460 -0.197 0.000 1.298 11 Y HN 0.640 nan 8.280 nan 0.000 0.459 12 S N 0.755 116.436 115.700 -0.032 0.000 2.600 12 S HA 0.875 5.345 4.470 -0.000 0.000 0.300 12 S C -1.048 173.399 174.600 -0.256 0.000 1.087 12 S CA -0.315 57.828 58.200 -0.094 0.000 0.965 12 S CB 1.643 64.985 63.200 0.237 0.000 1.089 12 S HN 1.081 nan 8.310 nan 0.000 0.496 13 S N 0.208 115.722 115.700 -0.309 0.000 2.656 13 S HA 0.867 5.336 4.470 -0.000 0.000 0.273 13 S C -1.019 173.452 174.600 -0.214 0.000 1.168 13 S CA -0.742 57.008 58.200 -0.750 0.000 0.817 13 S CB 1.379 63.730 63.200 -1.416 0.000 1.146 13 S HN 0.985 nan 8.310 nan 0.000 0.475 14 S N -0.519 115.061 115.700 -0.201 0.000 2.599 14 S HA 0.734 5.204 4.470 -0.000 0.000 0.287 14 S C -2.693 171.963 174.600 0.093 0.000 1.105 14 S CA -1.468 56.666 58.200 -0.110 0.000 0.899 14 S CB 1.329 64.119 63.200 -0.683 0.000 1.100 14 S HN 0.410 nan 8.310 nan 0.000 0.482 15 P HA -0.017 nan 4.420 nan 0.000 0.213 15 P C 1.231 178.723 177.300 0.321 0.000 1.170 15 P CA 0.754 64.079 63.100 0.375 0.000 0.893 15 P CB -0.126 31.861 31.700 0.479 0.000 0.784 16 F N 0.642 120.654 119.950 0.102 0.000 2.120 16 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 16 F C 1.946 177.654 175.800 -0.152 0.000 1.095 16 F CA 1.792 59.772 58.000 -0.033 0.000 1.249 16 F CB -0.806 38.114 39.000 -0.135 0.000 0.995 16 F HN -0.038 nan 8.300 nan 0.000 0.480 17 Q N -1.930 117.771 119.800 -0.166 0.000 2.432 17 Q HA -0.031 4.309 4.340 -0.000 0.000 0.205 17 Q C 1.035 176.910 176.000 -0.209 0.000 0.945 17 Q CA 0.843 56.458 55.803 -0.314 0.000 0.924 17 Q CB -0.012 28.527 28.738 -0.331 0.000 1.016 17 Q HN 0.452 nan 8.270 nan 0.000 0.503 18 F N -0.734 119.181 119.950 -0.058 0.000 2.729 18 F HA 0.187 4.714 4.527 -0.000 0.000 0.304 18 F C 1.713 177.618 175.800 0.175 0.000 1.008 18 F CA -0.280 57.755 58.000 0.059 0.000 1.188 18 F CB 0.219 39.211 39.000 -0.013 0.000 0.980 18 F HN -0.083 nan 8.300 nan 0.000 0.627 19 E N 1.617 122.062 120.200 0.409 0.000 2.023 19 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 19 E C 1.307 178.055 176.600 0.245 0.000 1.003 19 E CA 1.077 57.733 56.400 0.427 0.000 0.809 19 E CB -0.364 29.577 29.700 0.401 0.000 0.755 19 E HN 0.255 nan 8.360 nan 0.000 0.449 20 A N -0.321 122.536 122.820 0.062 0.000 2.386 20 A HA 0.416 4.736 4.320 -0.000 0.000 0.246 20 A C 1.084 178.717 177.584 0.082 0.000 1.089 20 A CA 0.625 52.669 52.037 0.011 0.000 0.790 20 A CB 0.345 19.322 19.000 -0.039 0.000 1.042 20 A HN 0.380 nan 8.150 nan 0.000 0.497 21 G N -1.182 107.666 108.800 0.081 0.000 3.505 21 G HA2 0.034 3.993 3.960 -0.000 0.000 0.210 21 G HA3 0.034 3.993 3.960 -0.000 0.000 0.210 21 G C -0.159 174.792 174.900 0.086 0.000 1.047 21 G CA 0.015 45.179 45.100 0.106 0.000 0.884 21 G HN 0.577 nan 8.290 nan 0.000 0.434 22 I N 2.601 123.217 120.570 0.077 0.000 2.354 22 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 22 I C -2.343 173.799 176.117 0.042 0.000 0.989 22 I CA -2.909 58.427 61.300 0.061 0.000 1.188 22 I CB 0.979 39.019 38.000 0.067 0.000 1.342 22 I HN -0.131 nan 8.210 nan 0.000 0.457 23 P HA 0.099 nan 4.420 nan 0.000 0.259 23 P C 0.849 178.149 177.300 -0.000 0.000 1.163 23 P CA 0.996 64.110 63.100 0.024 0.000 0.760 23 P CB 0.428 32.145 31.700 0.029 0.000 0.762 24 G N 2.355 111.135 108.800 -0.034 0.000 2.195 24 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.224 24 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.224 24 G C 0.834 175.650 174.900 -0.140 0.000 0.990 24 G CA 0.328 45.388 45.100 -0.067 0.000 0.639 24 G HN 0.621 nan 8.290 nan 0.000 0.514 25 S N -0.053 115.543 115.700 -0.173 0.000 2.540 25 S HA 0.467 4.937 4.470 -0.000 0.000 0.218 25 S C 0.492 174.796 174.600 -0.493 0.000 0.977 25 S CA 0.539 58.497 58.200 -0.404 0.000 0.918 25 S CB 0.644 63.681 63.200 -0.272 0.000 0.806 25 S HN 0.458 nan 8.310 nan 0.000 0.496 26 E N 2.316 122.319 120.200 -0.328 0.000 2.422 26 E HA 0.364 4.713 4.350 -0.000 0.000 0.260 26 E C -0.460 175.818 176.600 -0.536 0.000 1.108 26 E CA 0.036 56.216 56.400 -0.367 0.000 0.943 26 E CB 0.255 29.705 29.700 -0.416 0.000 0.961 26 E HN 0.240 nan 8.360 nan 0.000 0.443 27 D N 1.489 121.564 120.400 -0.542 0.000 2.432 27 D HA 0.179 4.818 4.640 -0.000 0.000 0.265 27 D C -2.085 173.775 176.300 -0.734 0.000 1.160 27 D CA -2.263 51.459 54.000 -0.462 0.000 0.911 27 D CB 0.861 41.556 40.800 -0.176 0.000 1.052 27 D HN 0.126 nan 8.370 nan 0.000 0.508 28 P HA 0.041 nan 4.420 nan 0.000 0.249 28 P C -0.256 176.661 177.300 -0.638 0.000 1.241 28 P CA 0.186 62.262 63.100 -1.706 0.000 0.781 28 P CB -0.013 30.931 31.700 -1.260 0.000 1.088 29 N N -0.065 118.438 118.700 -0.328 0.000 2.279 29 N HA 0.055 4.795 4.740 -0.000 0.000 0.226 29 N C 0.144 175.625 175.510 -0.048 0.000 1.126 29 N CA -0.305 52.672 53.050 -0.123 0.000 0.846 29 N CB 0.303 38.744 38.487 -0.077 0.000 1.050 29 N HN 0.164 nan 8.380 nan 0.000 0.502 30 S N -0.461 115.270 115.700 0.050 0.000 2.648 30 S HA 0.215 4.684 4.470 -0.000 0.000 0.305 30 S C 0.726 175.407 174.600 0.134 0.000 1.094 30 S CA -0.851 57.399 58.200 0.084 0.000 0.983 30 S CB 1.668 64.983 63.200 0.191 0.000 1.101 30 S HN 0.111 nan 8.310 nan 0.000 0.514 31 D N 0.593 121.017 120.400 0.040 0.000 2.144 31 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 31 D C 1.202 177.532 176.300 0.049 0.000 0.984 31 D CA 1.094 55.069 54.000 -0.042 0.000 0.834 31 D CB -0.629 40.036 40.800 -0.225 0.000 0.955 31 D HN 0.713 nan 8.370 nan 0.000 0.465 32 W N 0.599 121.897 121.300 -0.003 0.000 2.374 32 W HA -0.026 4.634 4.660 -0.000 0.000 0.288 32 W C 2.375 179.030 176.519 0.227 0.000 1.218 32 W CA 0.736 58.063 57.345 -0.029 0.000 1.245 32 W CB -0.341 28.804 29.460 -0.524 0.000 1.126 32 W HN 0.068 nan 8.180 nan 0.000 0.545 33 W N 0.319 121.848 121.300 0.382 0.000 2.354 33 W HA -0.217 4.443 4.660 -0.000 0.000 0.315 33 W C 1.663 178.381 176.519 0.331 0.000 1.206 33 W CA 2.140 59.741 57.345 0.427 0.000 1.290 33 W CB -0.881 28.728 29.460 0.247 0.000 1.152 33 W HN -0.293 nan 8.180 nan 0.000 0.489 34 V N 1.003 121.139 119.914 0.371 0.000 2.295 34 V HA -0.351 3.769 4.120 -0.000 0.000 0.246 34 V C 2.305 178.480 176.094 0.134 0.000 1.049 34 V CA 2.261 64.676 62.300 0.190 0.000 1.024 34 V CB -1.438 30.493 31.823 0.181 0.000 0.648 34 V HN 0.428 nan 8.190 nan 0.000 0.447 35 W N 1.133 122.405 121.300 -0.046 0.000 2.318 35 W HA -0.227 4.433 4.660 -0.000 0.000 0.313 35 W C 2.244 178.733 176.519 -0.050 0.000 1.221 35 W CA 2.959 60.227 57.345 -0.128 0.000 1.266 35 W CB -0.158 29.091 29.460 -0.352 0.000 1.150 35 W HN 0.381 nan 8.180 nan 0.000 0.496 36 V N -2.120 117.909 119.914 0.192 0.000 3.306 36 V HA -0.092 4.028 4.120 -0.000 0.000 0.264 36 V C 1.299 177.330 176.094 -0.104 0.000 1.149 36 V CA 1.760 64.128 62.300 0.113 0.000 1.143 36 V CB -1.062 30.993 31.823 0.387 0.000 0.767 36 V HN 0.092 nan 8.190 nan 0.000 0.476 37 H N -0.070 118.865 119.070 -0.225 0.000 2.575 37 H HA 0.310 4.866 4.556 -0.000 0.000 0.267 37 H C 0.543 175.799 175.328 -0.120 0.000 0.966 37 H CA 0.111 55.980 56.048 -0.299 0.000 1.165 37 H CB 0.086 29.450 29.762 -0.663 0.000 1.433 37 H HN 0.528 nan 8.280 nan 0.000 0.544 38 D N 0.908 121.267 120.400 -0.068 0.000 2.450 38 D HA -0.025 4.615 4.640 -0.000 0.000 0.247 38 D C -1.525 174.715 176.300 -0.100 0.000 1.162 38 D CA -1.384 52.548 54.000 -0.114 0.000 0.879 38 D CB 1.285 41.930 40.800 -0.258 0.000 1.163 38 D HN 0.055 nan 8.370 nan 0.000 0.472 39 P HA -0.141 nan 4.420 nan 0.000 0.215 39 P C 0.666 177.919 177.300 -0.077 0.000 1.157 39 P CA 1.186 64.260 63.100 -0.042 0.000 0.868 39 P CB 0.182 31.870 31.700 -0.021 0.000 0.788 40 E N -0.831 119.308 120.200 -0.101 0.000 2.072 40 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 40 E C 1.839 178.343 176.600 -0.160 0.000 0.985 40 E CA 0.859 57.192 56.400 -0.111 0.000 0.801 40 E CB -0.552 29.086 29.700 -0.103 0.000 0.750 40 E HN 0.230 nan 8.360 nan 0.000 0.452 41 N N 0.348 118.889 118.700 -0.266 0.000 2.166 41 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 41 N C 1.845 177.230 175.510 -0.209 0.000 1.019 41 N CA 1.448 54.284 53.050 -0.356 0.000 0.856 41 N CB -0.493 37.577 38.487 -0.695 0.000 0.993 41 N HN 0.123 nan 8.380 nan 0.000 0.426 42 T N 0.960 115.420 114.554 -0.157 0.000 2.701 42 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 42 T C 2.026 176.682 174.700 -0.074 0.000 1.040 42 T CA 1.352 63.395 62.100 -0.095 0.000 1.147 42 T CB -0.397 68.429 68.868 -0.069 0.000 0.865 42 T HN 0.319 nan 8.240 nan 0.000 0.426 43 A N 1.566 124.344 122.820 -0.070 0.000 1.908 43 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 43 A C 2.557 180.114 177.584 -0.045 0.000 1.181 43 A CA 1.843 53.849 52.037 -0.051 0.000 0.627 43 A CB -1.031 17.942 19.000 -0.045 0.000 0.818 43 A HN 0.517 nan 8.150 nan 0.000 0.445 44 A N -1.985 120.802 122.820 -0.056 0.000 2.168 44 A HA 0.357 4.676 4.320 -0.000 0.000 0.215 44 A C 1.981 179.550 177.584 -0.025 0.000 1.152 44 A CA 1.410 53.423 52.037 -0.040 0.000 0.716 44 A CB -0.976 17.994 19.000 -0.051 0.000 0.794 44 A HN 1.974 nan 8.150 nan 0.000 0.465 45 G N -1.410 107.370 108.800 -0.033 0.000 2.143 45 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.249 45 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.249 45 G C 0.784 175.693 174.900 0.014 0.000 0.981 45 G CA 0.509 45.603 45.100 -0.011 0.000 0.665 45 G HN 0.418 nan 8.290 nan 0.000 0.528 46 L N -0.396 120.824 121.223 -0.005 0.000 2.093 46 L HA 0.147 4.486 4.340 -0.000 0.000 0.208 46 L C 1.750 178.675 176.870 0.092 0.000 1.085 46 L CA 1.707 56.576 54.840 0.049 0.000 0.755 46 L CB -0.314 41.738 42.059 -0.012 0.000 0.904 46 L HN 0.495 nan 8.230 nan 0.000 0.435 47 V N -4.986 114.937 119.914 0.015 0.000 2.815 47 V HA 0.360 4.480 4.120 -0.000 0.000 0.314 47 V C 1.067 177.173 176.094 0.020 0.000 1.064 47 V CA -0.243 62.096 62.300 0.066 0.000 0.952 47 V CB 1.572 33.416 31.823 0.034 0.000 1.020 47 V HN 0.159 nan 8.190 nan 0.000 0.439 48 S N 0.970 116.678 115.700 0.015 0.000 2.402 48 S HA 0.210 4.680 4.470 -0.000 0.000 0.229 48 S C 1.647 176.207 174.600 -0.067 0.000 1.021 48 S CA 1.521 59.698 58.200 -0.039 0.000 0.974 48 S CB -0.239 62.909 63.200 -0.088 0.000 0.800 48 S HN 2.709 nan 8.310 nan 0.000 0.484 49 G N 0.649 109.410 108.800 -0.065 0.000 2.253 49 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.209 49 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.209 49 G C -0.437 174.279 174.900 -0.306 0.000 0.997 49 G CA -0.006 44.995 45.100 -0.165 0.000 0.640 49 G HN 0.533 nan 8.290 nan 0.000 0.496 50 D N 0.278 120.600 120.400 -0.131 0.000 2.362 50 D HA 0.558 5.197 4.640 -0.000 0.000 0.242 50 D C 0.203 176.596 176.300 0.154 0.000 1.132 50 D CA 0.389 54.356 54.000 -0.056 0.000 0.907 50 D CB 0.586 41.391 40.800 0.008 0.000 1.195 50 D HN 0.253 nan 8.370 nan 0.000 0.429 51 F N 0.215 120.123 119.950 -0.070 0.000 2.508 51 F HA 0.198 4.724 4.527 -0.000 0.000 0.325 51 F C -1.328 174.149 175.800 -0.538 0.000 1.090 51 F CA -2.342 55.431 58.000 -0.379 0.000 0.945 51 F CB 2.372 41.188 39.000 -0.307 0.000 1.156 51 F HN 0.101 nan 8.300 nan 0.000 0.463 52 P HA -0.144 nan 4.420 nan 0.000 0.220 52 P C 0.527 177.672 177.300 -0.259 0.000 1.148 52 P CA 1.244 63.770 63.100 -0.958 0.000 0.803 52 P CB 0.162 31.152 31.700 -1.183 0.000 0.782 53 E N -0.799 119.382 120.200 -0.033 0.000 2.472 53 E HA -0.113 4.236 4.350 -0.000 0.000 0.200 53 E C 0.666 177.336 176.600 0.117 0.000 1.046 53 E CA 0.811 57.280 56.400 0.115 0.000 0.871 53 E CB -1.034 28.796 29.700 0.217 0.000 0.806 53 E HN 0.457 nan 8.360 nan 0.000 0.533 54 N N 0.126 118.911 118.700 0.141 0.000 2.238 54 N HA 0.147 4.887 4.740 -0.000 0.000 0.222 54 N C 0.506 176.052 175.510 0.059 0.000 1.133 54 N CA -0.193 52.924 53.050 0.112 0.000 0.854 54 N CB 0.952 39.505 38.487 0.111 0.000 1.041 54 N HN 0.109 nan 8.380 nan 0.000 0.510 55 G N 1.625 110.537 108.800 0.186 0.000 2.525 55 G HA2 0.049 4.009 3.960 -0.000 0.000 0.276 55 G HA3 0.049 4.009 3.960 -0.000 0.000 0.276 55 G C -1.164 173.967 174.900 0.384 0.000 1.388 55 G CA -0.676 44.584 45.100 0.266 0.000 1.050 55 G HN -0.065 nan 8.290 nan 0.000 0.520 56 P HA -0.049 nan 4.420 nan 0.000 0.222 56 P C 1.125 178.545 177.300 0.200 0.000 1.147 56 P CA 1.679 64.938 63.100 0.265 0.000 0.790 56 P CB 0.031 31.881 31.700 0.250 0.000 0.780 57 G N -0.243 108.697 108.800 0.232 0.000 2.198 57 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 57 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 57 G C 0.421 175.472 174.900 0.252 0.000 1.042 57 G CA 0.213 45.438 45.100 0.209 0.000 0.791 57 G HN 0.308 nan 8.290 nan 0.000 0.502 58 Y N -0.705 119.716 120.300 0.202 0.000 2.256 58 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 58 Y C 2.338 178.346 175.900 0.179 0.000 1.155 58 Y CA 2.295 60.499 58.100 0.174 0.000 1.203 58 Y CB -0.102 38.497 38.460 0.232 0.000 0.980 58 Y HN 0.549 nan 8.280 nan 0.000 0.530 59 W N 1.279 122.609 121.300 0.051 0.000 2.364 59 W HA -0.242 4.418 4.660 -0.000 0.000 0.281 59 W C 0.935 177.415 176.519 -0.066 0.000 1.219 59 W CA 1.998 59.317 57.345 -0.044 0.000 1.220 59 W CB -0.161 29.253 29.460 -0.077 0.000 1.127 59 W HN 0.279 nan 8.180 nan 0.000 0.556 60 N N -0.389 118.356 118.700 0.075 0.000 2.407 60 N HA 0.048 4.788 4.740 -0.000 0.000 0.182 60 N C 1.462 176.917 175.510 -0.092 0.000 1.079 60 N CA 0.461 53.510 53.050 -0.001 0.000 0.882 60 N CB -0.118 38.410 38.487 0.070 0.000 1.106 60 N HN 0.203 nan 8.380 nan 0.000 0.461 61 L N 1.725 122.887 121.223 -0.102 0.000 2.667 61 L HA 0.121 4.461 4.340 -0.000 0.000 0.232 61 L C 1.531 178.255 176.870 -0.243 0.000 1.138 61 L CA -0.079 54.690 54.840 -0.118 0.000 0.921 61 L CB -0.281 41.763 42.059 -0.024 0.000 1.180 61 L HN 0.087 nan 8.230 nan 0.000 0.487 62 N N 0.505 118.878 118.700 -0.545 0.000 2.069 62 N HA -0.366 4.374 4.740 -0.000 0.000 0.196 62 N C 1.736 176.805 175.510 -0.735 0.000 1.024 62 N CA 2.020 54.492 53.050 -0.964 0.000 0.869 62 N CB -0.320 37.412 38.487 -1.258 0.000 1.035 62 N HN 0.404 nan 8.380 nan 0.000 0.434 63 Q N -0.023 119.523 119.800 -0.424 0.000 2.084 63 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 63 Q C 1.281 177.241 176.000 -0.067 0.000 0.978 63 Q CA 1.469 57.157 55.803 -0.191 0.000 0.844 63 Q CB -0.096 28.575 28.738 -0.113 0.000 0.898 63 Q HN 0.514 nan 8.270 nan 0.000 0.426 64 N N 0.691 119.344 118.700 -0.079 0.000 2.188 64 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 64 N C 1.082 176.611 175.510 0.032 0.000 1.018 64 N CA 1.283 54.323 53.050 -0.017 0.000 0.858 64 N CB -0.150 38.315 38.487 -0.037 0.000 0.989 64 N HN 0.314 nan 8.380 nan 0.000 0.426 65 D N -0.005 120.414 120.400 0.032 0.000 2.183 65 D HA -0.050 4.589 4.640 -0.000 0.000 0.203 65 D C 1.630 178.092 176.300 0.270 0.000 0.969 65 D CA 0.737 54.813 54.000 0.127 0.000 0.842 65 D CB -0.299 40.626 40.800 0.208 0.000 0.957 65 D HN 0.523 nan 8.370 nan 0.000 0.484 66 H N 0.272 119.482 119.070 0.233 0.000 2.389 66 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 66 H C 1.359 176.897 175.328 0.350 0.000 1.081 66 H CA 0.733 57.000 56.048 0.364 0.000 1.345 66 H CB 0.421 30.453 29.762 0.449 0.000 1.393 66 H HN 0.039 nan 8.280 nan 0.000 0.520 67 D N 0.818 121.413 120.400 0.325 0.000 2.117 67 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 67 D C 2.267 178.682 176.300 0.190 0.000 0.982 67 D CA 0.426 54.555 54.000 0.215 0.000 0.828 67 D CB -0.247 40.626 40.800 0.121 0.000 0.967 67 D HN 0.304 nan 8.370 nan 0.000 0.464 68 L N 0.722 122.040 121.223 0.158 0.000 2.017 68 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 68 L C 2.332 179.297 176.870 0.157 0.000 1.073 68 L CA 1.451 56.357 54.840 0.110 0.000 0.745 68 L CB -0.249 41.838 42.059 0.048 0.000 0.894 68 L HN -0.038 nan 8.230 nan 0.000 0.432 69 A N -0.375 122.579 122.820 0.223 0.000 1.883 69 A HA -0.328 3.992 4.320 -0.000 0.000 0.217 69 A C 2.141 179.950 177.584 0.375 0.000 1.186 69 A CA 2.157 54.372 52.037 0.297 0.000 0.624 69 A CB -0.710 18.515 19.000 0.375 0.000 0.822 69 A HN 0.593 nan 8.150 nan 0.000 0.444 70 E N -0.438 120.005 120.200 0.404 0.000 2.110 70 E HA -0.217 4.132 4.350 -0.000 0.000 0.193 70 E C 2.059 178.784 176.600 0.209 0.000 0.988 70 E CA 1.448 58.031 56.400 0.304 0.000 0.804 70 E CB -0.114 29.718 29.700 0.219 0.000 0.745 70 E HN 0.624 nan 8.360 nan 0.000 0.458 71 K N 0.215 120.722 120.400 0.180 0.000 2.209 71 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 71 K C 1.633 178.328 176.600 0.158 0.000 1.048 71 K CA 0.892 57.261 56.287 0.136 0.000 0.940 71 K CB 0.045 32.609 32.500 0.105 0.000 0.729 71 K HN 0.215 nan 8.250 nan 0.000 0.451 72 L N -0.521 120.828 121.223 0.211 0.000 2.591 72 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 72 L C 1.033 178.103 176.870 0.334 0.000 1.133 72 L CA 0.440 55.445 54.840 0.275 0.000 0.880 72 L CB 0.277 42.520 42.059 0.306 0.000 1.033 72 L HN 0.521 nan 8.230 nan 0.000 0.450 73 G N 0.091 109.057 108.800 0.276 0.000 2.141 73 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.231 73 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.231 73 G C 0.230 175.321 174.900 0.318 0.000 0.984 73 G CA -0.100 45.141 45.100 0.235 0.000 0.660 73 G HN 0.077 nan 8.290 nan 0.000 0.525 74 V N 1.574 121.764 119.914 0.459 0.000 2.485 74 V HA 0.263 4.382 4.120 -0.000 0.000 0.287 74 V C 1.333 177.706 176.094 0.464 0.000 1.022 74 V CA 1.030 63.640 62.300 0.516 0.000 1.067 74 V CB 0.976 33.114 31.823 0.525 0.000 0.967 74 V HN 0.685 nan 8.190 nan 0.000 0.479 75 N N 2.231 121.138 118.700 0.344 0.000 2.227 75 N HA 0.082 4.822 4.740 -0.000 0.000 0.196 75 N C 0.275 175.961 175.510 0.293 0.000 1.142 75 N CA 0.128 53.326 53.050 0.247 0.000 0.887 75 N CB 0.917 39.476 38.487 0.121 0.000 1.022 75 N HN 0.597 nan 8.380 nan 0.000 0.500 76 T N -0.129 114.593 114.554 0.279 0.000 2.993 76 T HA 0.624 4.974 4.350 -0.000 0.000 0.312 76 T C -1.826 172.806 174.700 -0.113 0.000 1.115 76 T CA -0.747 61.440 62.100 0.145 0.000 1.027 76 T CB 0.746 69.603 68.868 -0.018 0.000 1.116 76 T HN 0.112 nan 8.240 nan 0.000 0.464 77 I N 3.684 124.073 120.570 -0.302 0.000 2.647 77 I HA 0.579 4.749 4.170 -0.000 0.000 0.295 77 I C -0.314 175.488 176.117 -0.525 0.000 1.078 77 I CA -1.143 59.721 61.300 -0.726 0.000 1.048 77 I CB 2.332 39.529 38.000 -1.339 0.000 1.239 77 I HN 0.462 nan 8.210 nan 0.000 0.421 78 R N 6.024 126.238 120.500 -0.475 0.000 2.343 78 R HA 0.749 5.088 4.340 -0.000 0.000 0.320 78 R C -1.494 174.628 176.300 -0.298 0.000 0.956 78 R CA -0.310 55.618 56.100 -0.287 0.000 0.836 78 R CB 1.634 31.869 30.300 -0.108 0.000 1.151 78 R HN 0.590 nan 8.270 nan 0.000 0.450 79 V N 0.476 120.213 119.914 -0.296 0.000 3.155 79 V HA 0.944 5.064 4.120 -0.000 0.000 0.313 79 V C -0.159 175.916 176.094 -0.031 0.000 1.162 79 V CA -0.618 61.540 62.300 -0.236 0.000 1.048 79 V CB 1.740 33.278 31.823 -0.475 0.000 1.092 79 V HN 0.793 nan 8.190 nan 0.000 0.447 80 G N -0.837 108.047 108.800 0.140 0.000 2.816 80 G HA2 0.710 4.670 3.960 -0.000 0.000 0.288 80 G HA3 0.710 4.670 3.960 -0.000 0.000 0.288 80 G C -1.623 173.470 174.900 0.322 0.000 1.334 80 G CA -0.864 44.391 45.100 0.259 0.000 0.978 80 G HN 1.200 nan 8.290 nan 0.000 0.493 81 V N 0.597 120.674 119.914 0.272 0.000 2.623 81 V HA 0.355 4.475 4.120 -0.000 0.000 0.304 81 V C -0.906 175.409 176.094 0.368 0.000 1.054 81 V CA -0.995 61.325 62.300 0.034 0.000 0.882 81 V CB 1.780 33.547 31.823 -0.093 0.000 1.002 81 V HN 0.659 nan 8.190 nan 0.000 0.424 82 E N 3.292 123.760 120.200 0.447 0.000 2.265 82 E HA 0.001 4.351 4.350 -0.000 0.000 0.272 82 E C 0.353 177.245 176.600 0.487 0.000 1.067 82 E CA -0.170 56.528 56.400 0.497 0.000 0.900 82 E CB 0.863 30.840 29.700 0.461 0.000 1.017 82 E HN 0.803 nan 8.360 nan 0.000 0.431 83 W N 4.253 125.655 121.300 0.171 0.000 2.318 83 W HA -0.261 4.398 4.660 -0.000 0.000 0.313 83 W C 1.878 178.413 176.519 0.027 0.000 1.221 83 W CA 2.280 59.496 57.345 -0.215 0.000 1.266 83 W CB -0.647 28.636 29.460 -0.295 0.000 1.150 83 W HN 0.513 nan 8.180 nan 0.000 0.496 84 S N 0.177 116.034 115.700 0.262 0.000 2.447 84 S HA -0.129 4.340 4.470 -0.000 0.000 0.233 84 S C 1.826 176.533 174.600 0.177 0.000 1.006 84 S CA 1.149 59.424 58.200 0.125 0.000 0.957 84 S CB -0.494 62.718 63.200 0.021 0.000 0.773 84 S HN 0.385 nan 8.310 nan 0.000 0.507 85 R N 0.221 120.863 120.500 0.235 0.000 2.127 85 R HA 0.224 4.564 4.340 -0.000 0.000 0.217 85 R C 1.840 178.271 176.300 0.219 0.000 1.074 85 R CA 0.863 57.082 56.100 0.200 0.000 0.991 85 R CB -0.266 30.203 30.300 0.281 0.000 0.895 85 R HN 0.379 nan 8.270 nan 0.000 0.450 86 I N 0.020 120.736 120.570 0.244 0.000 2.277 86 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 86 I C 0.508 176.462 176.117 -0.272 0.000 1.094 86 I CA 1.275 62.582 61.300 0.011 0.000 1.393 86 I CB -0.318 37.703 38.000 0.034 0.000 1.078 86 I HN -0.048 nan 8.210 nan 0.000 0.417 87 F N 1.237 121.406 119.950 0.364 0.000 2.550 87 F HA 0.373 4.899 4.527 -0.000 0.000 0.348 87 F C -1.735 174.266 175.800 0.336 0.000 1.219 87 F CA -2.377 55.807 58.000 0.308 0.000 1.203 87 F CB 0.315 39.568 39.000 0.420 0.000 1.436 87 F HN -0.118 nan 8.300 nan 0.000 0.541 88 P HA -0.125 nan 4.420 nan 0.000 0.218 88 P C 0.224 177.708 177.300 0.306 0.000 1.149 88 P CA 1.368 64.622 63.100 0.257 0.000 0.817 88 P CB 0.310 32.081 31.700 0.118 0.000 0.785 89 K N -0.730 119.747 120.400 0.127 0.000 2.123 89 K HA 0.411 4.731 4.320 -0.000 0.000 0.248 89 K C -2.600 173.489 176.600 -0.852 0.000 0.969 89 K CA -2.845 53.329 56.287 -0.188 0.000 0.882 89 K CB -0.315 32.109 32.500 -0.127 0.000 1.080 89 K HN -0.184 nan 8.250 nan 0.000 0.441 90 P HA 0.016 nan 4.420 nan 0.000 0.268 90 P C 0.348 176.907 177.300 -1.235 0.000 1.204 90 P CA 0.265 62.110 63.100 -2.092 0.000 0.768 90 P CB 0.356 31.413 31.700 -1.070 0.000 0.842 91 T N -1.702 112.045 114.554 -1.345 0.000 3.092 91 T HA 0.195 4.545 4.350 -0.000 0.000 0.258 91 T C 1.379 175.865 174.700 -0.356 0.000 1.031 91 T CA -0.031 61.670 62.100 -0.666 0.000 0.925 91 T CB -1.044 67.456 68.868 -0.613 0.000 1.036 91 T HN 0.154 nan 8.240 nan 0.000 0.544 92 F N 2.722 122.452 119.950 -0.366 0.000 2.115 92 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 92 F C 2.360 178.084 175.800 -0.127 0.000 1.092 92 F CA 0.670 58.568 58.000 -0.171 0.000 1.245 92 F CB -0.408 38.506 39.000 -0.144 0.000 0.995 92 F HN 0.237 nan 8.300 nan 0.000 0.481 93 N N 0.254 118.979 118.700 0.042 0.000 2.512 93 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 93 N C 0.259 175.755 175.510 -0.023 0.000 1.073 93 N CA 0.430 53.480 53.050 -0.001 0.000 0.911 93 N CB -0.106 38.364 38.487 -0.029 0.000 0.964 93 N HN 0.001 nan 8.380 nan 0.000 0.447 94 V N 3.072 122.958 119.914 -0.047 0.000 2.302 94 V HA 0.003 4.123 4.120 -0.000 0.000 0.244 94 V C 1.387 177.472 176.094 -0.014 0.000 1.160 94 V CA -0.098 62.172 62.300 -0.049 0.000 1.127 94 V CB -0.343 31.424 31.823 -0.092 0.000 1.253 94 V HN 0.118 nan 8.190 nan 0.000 0.496 95 K N 2.875 123.272 120.400 -0.005 0.000 1.976 95 K HA -0.200 4.120 4.320 -0.000 0.000 0.233 95 K C 0.498 177.110 176.600 0.021 0.000 1.032 95 K CA 1.854 58.147 56.287 0.009 0.000 1.032 95 K CB -0.241 32.261 32.500 0.003 0.000 0.733 95 K HN 0.449 nan 8.250 nan 0.000 0.448 96 V N 0.268 120.193 119.914 0.017 0.000 3.511 96 V HA -0.146 3.974 4.120 -0.000 0.000 0.502 96 V C -2.515 173.605 176.094 0.043 0.000 0.682 96 V CA -0.526 61.792 62.300 0.031 0.000 2.051 96 V CB -0.859 30.984 31.823 0.034 0.000 2.482 96 V HN 0.350 nan 8.190 nan 0.000 0.508 97 P HA 0.445 nan 4.420 nan 0.000 0.268 97 P C -0.898 176.454 177.300 0.086 0.000 1.205 97 P CA -0.054 63.081 63.100 0.058 0.000 0.771 97 P CB 0.714 32.448 31.700 0.056 0.000 0.858 98 V N 2.924 122.882 119.914 0.074 0.000 2.488 98 V HA 0.219 4.339 4.120 -0.000 0.000 0.293 98 V C -0.044 176.093 176.094 0.073 0.000 1.027 98 V CA -0.623 61.728 62.300 0.086 0.000 0.862 98 V CB 1.734 33.597 31.823 0.066 0.000 1.008 98 V HN 0.460 nan 8.190 nan 0.000 0.428 99 E N 4.702 124.962 120.200 0.100 0.000 2.229 99 E HA 0.461 4.811 4.350 -0.000 0.000 0.283 99 E C -0.642 175.990 176.600 0.052 0.000 1.030 99 E CA -0.398 56.041 56.400 0.063 0.000 0.836 99 E CB 1.132 30.871 29.700 0.065 0.000 1.068 99 E HN 0.535 nan 8.360 nan 0.000 0.401 100 R N 3.093 123.609 120.500 0.027 0.000 2.561 100 R HA 0.172 4.512 4.340 -0.000 0.000 0.297 100 R C 0.245 176.548 176.300 0.005 0.000 0.969 100 R CA -0.808 55.302 56.100 0.016 0.000 0.879 100 R CB 1.342 31.649 30.300 0.012 0.000 1.178 100 R HN 0.617 nan 8.270 nan 0.000 0.445 101 D N 2.078 122.478 120.400 -0.001 0.000 2.325 101 D HA -0.044 4.596 4.640 -0.000 0.000 0.262 101 D C 0.432 176.726 176.300 -0.010 0.000 1.263 101 D CA -0.124 53.871 54.000 -0.008 0.000 1.020 101 D CB 0.709 41.500 40.800 -0.015 0.000 1.117 101 D HN 0.335 nan 8.370 nan 0.000 0.545 102 E N -0.517 119.676 120.200 -0.012 0.000 2.152 102 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 102 E C 1.306 177.898 176.600 -0.014 0.000 0.983 102 E CA 0.874 57.267 56.400 -0.012 0.000 0.818 102 E CB -0.522 29.172 29.700 -0.011 0.000 0.758 102 E HN 0.491 nan 8.360 nan 0.000 0.467 103 N N -0.403 118.287 118.700 -0.017 0.000 2.336 103 N HA 0.124 4.864 4.740 -0.000 0.000 0.189 103 N C 0.928 176.426 175.510 -0.020 0.000 1.113 103 N CA 0.733 53.771 53.050 -0.020 0.000 0.858 103 N CB 0.972 39.444 38.487 -0.025 0.000 0.970 103 N HN 0.246 nan 8.380 nan 0.000 0.471 104 G N -0.723 108.068 108.800 -0.016 0.000 2.175 104 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 104 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 104 G C 0.057 174.951 174.900 -0.011 0.000 0.982 104 G CA 0.024 45.117 45.100 -0.013 0.000 0.641 104 G HN 0.314 nan 8.290 nan 0.000 0.527 105 S N 0.248 115.938 115.700 -0.017 0.000 2.560 105 S HA 0.426 4.896 4.470 -0.000 0.000 0.284 105 S C 0.829 175.427 174.600 -0.003 0.000 1.327 105 S CA 0.028 58.217 58.200 -0.019 0.000 1.055 105 S CB 0.878 64.057 63.200 -0.035 0.000 0.868 105 S HN 0.364 nan 8.310 nan 0.000 0.506 106 I N 3.696 124.271 120.570 0.007 0.000 2.241 106 I HA 0.047 4.217 4.170 -0.000 0.000 0.294 106 I C 1.261 177.392 176.117 0.023 0.000 1.145 106 I CA -0.289 61.028 61.300 0.028 0.000 1.261 106 I CB 0.260 38.288 38.000 0.047 0.000 1.475 106 I HN 0.578 nan 8.210 nan 0.000 0.533 107 V N 1.844 121.776 119.914 0.030 0.000 3.217 107 V HA 0.053 4.173 4.120 -0.000 0.000 0.264 107 V C 0.639 176.794 176.094 0.102 0.000 1.135 107 V CA 1.052 63.373 62.300 0.034 0.000 1.142 107 V CB -0.739 31.098 31.823 0.024 0.000 0.754 107 V HN 0.753 nan 8.190 nan 0.000 0.484 108 H N -1.095 117.975 119.070 0.000 0.000 3.123 108 H HA 0.588 5.144 4.556 -0.000 0.000 0.346 108 H C -2.157 173.183 175.328 0.021 0.000 1.138 108 H CA -0.248 55.804 56.048 0.008 0.000 1.273 108 H CB 2.370 32.133 29.762 0.001 0.000 1.926 108 H HN 0.043 nan 8.280 nan 0.000 0.524 109 V N 4.541 124.283 119.914 -0.287 0.000 2.482 109 V HA 0.112 4.232 4.120 -0.000 0.000 0.295 109 V C -0.443 175.584 176.094 -0.112 0.000 1.026 109 V CA -0.744 61.520 62.300 -0.061 0.000 0.856 109 V CB 1.627 33.429 31.823 -0.035 0.000 1.001 109 V HN 0.724 nan 8.190 nan 0.000 0.424 110 D N 4.227 124.705 120.400 0.130 0.000 2.396 110 D HA 0.447 5.086 4.640 -0.000 0.000 0.225 110 D C -0.652 175.702 176.300 0.091 0.000 1.121 110 D CA -0.074 54.028 54.000 0.169 0.000 0.853 110 D CB 1.446 42.393 40.800 0.246 0.000 1.043 110 D HN 0.273 nan 8.370 nan 0.000 0.500 111 V N 5.020 124.982 119.914 0.080 0.000 2.293 111 V HA 0.281 4.401 4.120 -0.000 0.000 0.275 111 V C 0.089 176.269 176.094 0.143 0.000 1.021 111 V CA -0.856 61.493 62.300 0.082 0.000 0.815 111 V CB 0.756 32.616 31.823 0.061 0.000 1.025 111 V HN 0.616 nan 8.190 nan 0.000 0.448 112 D N 1.766 122.223 120.400 0.095 0.000 2.506 112 D HA 0.219 4.859 4.640 -0.000 0.000 0.272 112 D C 0.645 177.004 176.300 0.098 0.000 1.214 112 D CA -0.634 53.425 54.000 0.098 0.000 1.067 112 D CB 0.769 41.593 40.800 0.040 0.000 1.117 112 D HN 0.273 nan 8.370 nan 0.000 0.578 113 D N -1.049 119.393 120.400 0.070 0.000 2.149 113 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 113 D C 1.629 177.873 176.300 -0.094 0.000 0.990 113 D CA 1.376 55.373 54.000 -0.004 0.000 0.839 113 D CB 0.031 40.838 40.800 0.013 0.000 0.948 113 D HN 0.343 nan 8.370 nan 0.000 0.460 114 K N 0.359 120.731 120.400 -0.046 0.000 2.025 114 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 114 K C 2.204 178.763 176.600 -0.070 0.000 1.049 114 K CA 1.072 57.327 56.287 -0.052 0.000 0.933 114 K CB -0.152 32.334 32.500 -0.024 0.000 0.714 114 K HN 0.078 nan 8.250 nan 0.000 0.438 115 A N 1.195 123.983 122.820 -0.054 0.000 1.883 115 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 115 A C 2.397 179.917 177.584 -0.106 0.000 1.186 115 A CA 1.628 53.629 52.037 -0.060 0.000 0.624 115 A CB -0.787 18.195 19.000 -0.030 0.000 0.822 115 A HN 0.079 nan 8.150 nan 0.000 0.444 116 V N 0.142 119.952 119.914 -0.173 0.000 2.343 116 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 116 V C 2.383 178.307 176.094 -0.284 0.000 1.051 116 V CA 2.335 64.449 62.300 -0.310 0.000 1.036 116 V CB -0.939 30.459 31.823 -0.707 0.000 0.654 116 V HN 0.655 nan 8.190 nan 0.000 0.451 117 E N -0.186 119.841 120.200 -0.287 0.000 2.110 117 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 117 E C 2.383 178.959 176.600 -0.039 0.000 0.988 117 E CA 1.189 57.502 56.400 -0.146 0.000 0.804 117 E CB -0.167 29.470 29.700 -0.105 0.000 0.745 117 E HN 0.334 nan 8.360 nan 0.000 0.458 118 R N 1.358 121.822 120.500 -0.059 0.000 2.062 118 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 118 R C 2.086 178.359 176.300 -0.045 0.000 1.128 118 R CA 1.233 57.309 56.100 -0.040 0.000 0.960 118 R CB -0.736 29.533 30.300 -0.051 0.000 0.855 118 R HN 0.147 nan 8.270 nan 0.000 0.432 119 L N 0.866 122.042 121.223 -0.079 0.000 2.079 119 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 119 L C 2.258 179.066 176.870 -0.104 0.000 1.081 119 L CA 1.862 56.627 54.840 -0.125 0.000 0.752 119 L CB -0.660 41.300 42.059 -0.166 0.000 0.896 119 L HN 0.396 nan 8.230 nan 0.000 0.433 120 D N 0.220 120.621 120.400 0.000 0.000 2.309 120 D HA -0.183 4.457 4.640 -0.000 0.000 0.212 120 D C 1.687 178.068 176.300 0.136 0.000 0.968 120 D CA 0.980 55.096 54.000 0.193 0.000 0.882 120 D CB 0.246 41.348 40.800 0.504 0.000 0.918 120 D HN 0.514 nan 8.370 nan 0.000 0.503 121 E N -0.349 119.897 120.200 0.077 0.000 2.230 121 E HA 0.002 4.352 4.350 -0.000 0.000 0.192 121 E C 2.201 178.836 176.600 0.058 0.000 0.987 121 E CA 0.186 56.626 56.400 0.067 0.000 0.841 121 E CB 0.323 30.046 29.700 0.039 0.000 0.783 121 E HN 0.348 nan 8.360 nan 0.000 0.481 122 L N 0.811 122.069 121.223 0.060 0.000 2.307 122 L HA 0.156 4.496 4.340 -0.000 0.000 0.211 122 L C 1.314 178.286 176.870 0.170 0.000 1.099 122 L CA -0.356 54.536 54.840 0.087 0.000 0.816 122 L CB -0.200 41.882 42.059 0.039 0.000 0.952 122 L HN -0.027 nan 8.230 nan 0.000 0.455 123 A N 0.978 123.892 122.820 0.156 0.000 2.507 123 A HA -0.072 4.248 4.320 -0.000 0.000 0.235 123 A C 0.268 177.871 177.584 0.031 0.000 1.070 123 A CA 0.048 52.058 52.037 -0.045 0.000 0.768 123 A CB -0.197 18.638 19.000 -0.275 0.000 1.011 123 A HN 0.350 nan 8.150 nan 0.000 0.502 124 N N 0.769 119.477 118.700 0.014 0.000 2.482 124 N HA 0.121 4.860 4.740 -0.000 0.000 0.242 124 N C 0.894 176.474 175.510 0.117 0.000 1.100 124 N CA -0.311 52.784 53.050 0.075 0.000 0.946 124 N CB 0.477 39.013 38.487 0.081 0.000 1.227 124 N HN 0.470 nan 8.380 nan 0.000 0.508 125 K N 2.043 122.517 120.400 0.122 0.000 2.113 125 K HA -0.224 4.095 4.320 -0.000 0.000 0.208 125 K C 1.228 177.913 176.600 0.143 0.000 1.047 125 K CA 1.190 57.562 56.287 0.143 0.000 0.928 125 K CB -0.095 32.478 32.500 0.121 0.000 0.716 125 K HN 0.719 nan 8.250 nan 0.000 0.446 126 E N 0.276 120.553 120.200 0.127 0.000 2.058 126 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 126 E C 1.883 178.606 176.600 0.204 0.000 0.997 126 E CA 1.245 57.727 56.400 0.136 0.000 0.801 126 E CB 0.006 29.772 29.700 0.110 0.000 0.746 126 E HN 0.297 nan 8.360 nan 0.000 0.450 127 A N 0.280 123.244 122.820 0.241 0.000 1.873 127 A HA -0.118 4.201 4.320 -0.000 0.000 0.215 127 A C 2.407 180.235 177.584 0.405 0.000 1.186 127 A CA 1.357 53.618 52.037 0.373 0.000 0.616 127 A CB -0.675 18.541 19.000 0.361 0.000 0.823 127 A HN 0.208 nan 8.150 nan 0.000 0.442 128 V N 1.033 121.151 119.914 0.339 0.000 2.287 128 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 128 V C 2.168 178.390 176.094 0.213 0.000 1.053 128 V CA 2.416 64.908 62.300 0.319 0.000 1.027 128 V CB -1.239 30.744 31.823 0.266 0.000 0.646 128 V HN 0.648 nan 8.190 nan 0.000 0.447 129 N N -1.248 117.540 118.700 0.146 0.000 2.244 129 N HA -0.205 4.535 4.740 -0.000 0.000 0.183 129 N C 1.974 177.473 175.510 -0.019 0.000 1.016 129 N CA 0.975 54.060 53.050 0.058 0.000 0.866 129 N CB -0.209 38.310 38.487 0.053 0.000 0.980 129 N HN 0.569 nan 8.380 nan 0.000 0.430 130 H N -0.130 118.867 119.070 -0.121 0.000 2.428 130 H HA -0.077 4.478 4.556 -0.000 0.000 0.296 130 H C 1.343 176.351 175.328 -0.532 0.000 1.062 130 H CA 1.332 57.148 56.048 -0.385 0.000 1.350 130 H CB 0.133 29.567 29.762 -0.545 0.000 1.403 130 H HN 0.286 nan 8.280 nan 0.000 0.533 131 Y N 0.256 120.412 120.300 -0.241 0.000 2.163 131 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 131 Y C 2.951 178.574 175.900 -0.462 0.000 1.136 131 Y CA 1.208 59.052 58.100 -0.426 0.000 1.147 131 Y CB -0.540 37.839 38.460 -0.135 0.000 0.987 131 Y HN -0.038 nan 8.280 nan 0.000 0.509 132 V N 0.054 119.943 119.914 -0.041 0.000 2.392 132 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 132 V C 2.257 178.290 176.094 -0.102 0.000 1.059 132 V CA 2.241 64.522 62.300 -0.032 0.000 1.051 132 V CB -0.560 31.250 31.823 -0.021 0.000 0.658 132 V HN 0.418 nan 8.190 nan 0.000 0.455 133 E N -0.335 119.734 120.200 -0.219 0.000 2.047 133 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 133 E C 2.301 178.739 176.600 -0.271 0.000 0.987 133 E CA 1.530 57.771 56.400 -0.265 0.000 0.799 133 E CB -0.133 29.331 29.700 -0.395 0.000 0.752 133 E HN 0.540 nan 8.360 nan 0.000 0.449 134 M N -0.551 118.781 119.600 -0.446 0.000 2.086 134 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 134 M C 1.968 178.395 176.300 0.212 0.000 1.067 134 M CA 1.555 56.688 55.300 -0.280 0.000 1.116 134 M CB -0.359 31.930 32.600 -0.520 0.000 1.348 134 M HN 0.267 nan 8.290 nan 0.000 0.407 135 Y N -0.443 119.927 120.300 0.116 0.000 2.395 135 Y HA -0.135 4.414 4.550 -0.000 0.000 0.293 135 Y C 2.542 178.501 175.900 0.100 0.000 1.123 135 Y CA 0.357 58.545 58.100 0.146 0.000 1.227 135 Y CB -0.164 38.362 38.460 0.110 0.000 1.012 135 Y HN 0.238 nan 8.280 nan 0.000 0.552 136 K N 0.817 121.324 120.400 0.178 0.000 2.155 136 K HA -0.190 4.130 4.320 -0.000 0.000 0.203 136 K C 1.830 178.471 176.600 0.069 0.000 1.052 136 K CA 1.290 57.622 56.287 0.076 0.000 0.948 136 K CB -0.147 32.359 32.500 0.010 0.000 0.728 136 K HN 0.209 nan 8.250 nan 0.000 0.448 137 D N 0.080 120.550 120.400 0.116 0.000 2.178 137 D HA -0.224 4.416 4.640 -0.000 0.000 0.201 137 D C 1.443 177.852 176.300 0.182 0.000 0.980 137 D CA 0.830 54.914 54.000 0.141 0.000 0.842 137 D CB -0.048 40.862 40.800 0.184 0.000 0.948 137 D HN 0.476 nan 8.370 nan 0.000 0.472 138 W N 1.129 122.421 121.300 -0.013 0.000 2.480 138 W HA -0.107 4.553 4.660 -0.000 0.000 0.299 138 W C 1.867 178.307 176.519 -0.131 0.000 1.187 138 W CA 0.391 57.606 57.345 -0.217 0.000 1.347 138 W CB -0.235 28.917 29.460 -0.512 0.000 1.121 138 W HN -0.196 nan 8.180 nan 0.000 0.533 139 V N 1.917 121.753 119.914 -0.129 0.000 2.343 139 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 139 V C 1.887 177.840 176.094 -0.234 0.000 1.051 139 V CA 2.181 64.351 62.300 -0.218 0.000 1.036 139 V CB -1.017 30.770 31.823 -0.060 0.000 0.654 139 V HN 0.133 nan 8.190 nan 0.000 0.451 140 E N -0.130 119.980 120.200 -0.149 0.000 2.515 140 E HA -0.133 4.217 4.350 -0.000 0.000 0.201 140 E C 1.920 178.419 176.600 -0.168 0.000 1.071 140 E CA 0.258 56.580 56.400 -0.129 0.000 0.880 140 E CB -0.149 29.505 29.700 -0.076 0.000 0.828 140 E HN 0.571 nan 8.360 nan 0.000 0.540 141 R N -0.273 120.063 120.500 -0.273 0.000 2.317 141 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 141 R C 0.926 177.041 176.300 -0.308 0.000 0.914 141 R CA 0.437 56.360 56.100 -0.295 0.000 1.060 141 R CB 0.581 30.624 30.300 -0.429 0.000 1.015 141 R HN 0.163 nan 8.270 nan 0.000 0.498 142 G N 1.765 110.387 108.800 -0.298 0.000 2.204 142 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 142 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 142 G C -0.357 174.362 174.900 -0.303 0.000 1.062 142 G CA -0.334 44.622 45.100 -0.240 0.000 0.798 142 G HN 0.065 nan 8.290 nan 0.000 0.496 143 R N -0.556 119.663 120.500 -0.468 0.000 2.892 143 R HA 0.618 4.958 4.340 -0.000 0.000 0.265 143 R C 0.164 176.306 176.300 -0.264 0.000 1.025 143 R CA -0.797 55.008 56.100 -0.492 0.000 0.982 143 R CB 1.105 30.678 30.300 -1.211 0.000 1.185 143 R HN 0.280 nan 8.270 nan 0.000 0.484 144 K N 0.881 121.262 120.400 -0.031 0.000 2.118 144 K HA 0.479 4.799 4.320 -0.000 0.000 0.267 144 K C -0.566 176.121 176.600 0.144 0.000 0.991 144 K CA -0.693 55.598 56.287 0.008 0.000 0.916 144 K CB 1.182 33.651 32.500 -0.052 0.000 1.041 144 K HN 0.189 nan 8.250 nan 0.000 0.455 145 L N 3.513 124.730 121.223 -0.010 0.000 2.386 145 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 145 L C -1.428 175.303 176.870 -0.231 0.000 0.993 145 L CA -0.412 54.367 54.840 -0.101 0.000 0.819 145 L CB 1.412 43.416 42.059 -0.091 0.000 1.294 145 L HN 0.567 nan 8.230 nan 0.000 0.414 146 I N 5.523 125.935 120.570 -0.264 0.000 2.389 146 I HA 0.325 4.495 4.170 -0.000 0.000 0.288 146 I C -1.107 174.883 176.117 -0.212 0.000 0.999 146 I CA -0.772 60.384 61.300 -0.240 0.000 1.129 146 I CB 1.813 39.702 38.000 -0.186 0.000 1.288 146 I HN 0.399 nan 8.210 nan 0.000 0.444 147 L N 7.342 128.429 121.223 -0.227 0.000 2.272 147 L HA 0.465 4.805 4.340 -0.000 0.000 0.289 147 L C -0.497 176.448 176.870 0.125 0.000 1.032 147 L CA -0.041 54.715 54.840 -0.139 0.000 0.810 147 L CB 1.078 42.962 42.059 -0.292 0.000 1.205 147 L HN 0.516 nan 8.230 nan 0.000 0.422 148 N N 3.792 122.599 118.700 0.178 0.000 2.408 148 N HA 0.350 5.090 4.740 -0.000 0.000 0.280 148 N C 0.495 176.218 175.510 0.355 0.000 1.002 148 N CA -0.440 52.786 53.050 0.295 0.000 0.907 148 N CB 1.102 39.747 38.487 0.263 0.000 1.161 148 N HN 0.727 nan 8.380 nan 0.000 0.488 149 L N 1.704 123.188 121.223 0.434 0.000 2.240 149 L HA 0.128 4.468 4.340 -0.000 0.000 0.211 149 L C -0.167 177.171 176.870 0.779 0.000 1.106 149 L CA 0.488 55.627 54.840 0.499 0.000 0.793 149 L CB -0.159 42.105 42.059 0.342 0.000 0.927 149 L HN 0.586 nan 8.230 nan 0.000 0.446 150 Y N -0.732 119.917 120.300 0.580 0.000 2.354 150 Y HA 0.320 4.870 4.550 -0.000 0.000 0.330 150 Y C -0.612 175.566 175.900 0.463 0.000 1.011 150 Y CA -1.227 57.233 58.100 0.600 0.000 1.099 150 Y CB 0.926 39.762 38.460 0.626 0.000 1.179 150 Y HN -0.002 nan 8.280 nan 0.000 0.442 151 H N 6.751 125.687 119.070 -0.223 0.000 2.624 151 H HA 0.237 4.793 4.556 -0.000 0.000 0.233 151 H C -0.707 174.368 175.328 -0.422 0.000 1.376 151 H CA -0.230 55.593 56.048 -0.376 0.000 1.137 151 H CB 0.055 29.744 29.762 -0.122 0.000 1.867 151 H HN 0.833 nan 8.280 nan 0.000 0.547 152 W N -2.863 117.864 121.300 -0.955 0.000 0.269 152 W HA -0.217 4.443 4.660 -0.000 0.000 0.213 152 W C -2.152 174.451 176.519 0.140 0.000 0.912 152 W CA 0.424 57.523 57.345 -0.410 0.000 0.324 152 W CB -2.687 26.519 29.460 -0.424 0.000 1.905 152 W HN 0.372 nan 8.180 nan 0.000 1.110 153 P HA 0.235 nan 4.420 nan 0.000 0.266 153 P C 0.148 177.714 177.300 0.443 0.000 1.195 153 P CA 0.802 64.174 63.100 0.453 0.000 0.768 153 P CB 0.250 32.117 31.700 0.279 0.000 0.838 154 L N 5.382 126.745 121.223 0.234 0.000 2.333 154 L HA 0.523 4.863 4.340 -0.000 0.000 0.269 154 L C -2.326 174.337 176.870 -0.344 0.000 1.010 154 L CA -2.830 51.945 54.840 -0.108 0.000 0.818 154 L CB 2.159 44.061 42.059 -0.261 0.000 1.306 154 L HN 0.140 nan 8.230 nan 0.000 0.430 155 P HA 0.085 nan 4.420 nan 0.000 0.269 155 P C 0.655 177.511 177.300 -0.740 0.000 1.209 155 P CA -0.120 62.464 63.100 -0.859 0.000 0.776 155 P CB 0.663 31.372 31.700 -1.652 0.000 0.876 156 L N 2.229 123.214 121.223 -0.397 0.000 2.131 156 L HA -0.122 4.217 4.340 -0.000 0.000 0.210 156 L C 2.106 178.875 176.870 -0.168 0.000 1.092 156 L CA 1.206 55.920 54.840 -0.211 0.000 0.759 156 L CB -0.732 41.290 42.059 -0.062 0.000 0.903 156 L HN 0.640 nan 8.230 nan 0.000 0.435 157 W N -0.746 120.470 121.300 -0.139 0.000 2.611 157 W HA -0.113 4.547 4.660 -0.000 0.000 0.251 157 W C 1.650 178.093 176.519 -0.127 0.000 1.265 157 W CA 0.351 57.622 57.345 -0.123 0.000 1.295 157 W CB -0.401 28.954 29.460 -0.173 0.000 1.129 157 W HN 0.219 nan 8.180 nan 0.000 0.630 158 L N -0.572 120.305 121.223 -0.577 0.000 2.467 158 L HA 0.263 4.603 4.340 -0.000 0.000 0.213 158 L C 0.255 176.989 176.870 -0.226 0.000 1.053 158 L CA 0.673 55.219 54.840 -0.491 0.000 0.847 158 L CB 0.120 41.450 42.059 -1.215 0.000 1.075 158 L HN -0.074 nan 8.230 nan 0.000 0.479 159 H N 0.309 119.148 119.070 -0.385 0.000 3.013 159 H HA 0.196 4.752 4.556 -0.000 0.000 0.326 159 H C -1.188 174.046 175.328 -0.156 0.000 0.973 159 H CA -0.669 55.231 56.048 -0.247 0.000 1.369 159 H CB 1.109 30.695 29.762 -0.294 0.000 1.598 159 H HN 0.004 nan 8.280 nan 0.000 0.518 160 N N 7.458 126.090 118.700 -0.112 0.000 2.699 160 N HA 0.107 4.847 4.740 -0.000 0.000 0.232 160 N C -1.932 173.409 175.510 -0.282 0.000 1.027 160 N CA -2.200 50.751 53.050 -0.165 0.000 0.920 160 N CB 1.534 39.999 38.487 -0.037 0.000 1.148 160 N HN 0.481 nan 8.380 nan 0.000 0.509 161 P HA -0.153 nan 4.420 nan 0.000 0.215 161 P C 1.601 178.909 177.300 0.013 0.000 1.157 161 P CA 0.804 63.652 63.100 -0.421 0.000 0.868 161 P CB 0.582 31.999 31.700 -0.473 0.000 0.788 162 I N -0.382 120.238 120.570 0.085 0.000 2.208 162 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 162 I C 2.786 178.943 176.117 0.067 0.000 1.097 162 I CA 1.520 62.884 61.300 0.107 0.000 1.363 162 I CB -1.438 36.592 38.000 0.049 0.000 1.051 162 I HN 0.016 nan 8.210 nan 0.000 0.413 163 M N 0.179 119.797 119.600 0.030 0.000 2.229 163 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 163 M C 2.183 178.500 176.300 0.029 0.000 1.063 163 M CA 1.282 56.598 55.300 0.027 0.000 1.114 163 M CB 0.093 32.703 32.600 0.015 0.000 1.387 163 M HN -0.019 nan 8.290 nan 0.000 0.420 164 V N 0.298 120.228 119.914 0.025 0.000 2.427 164 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 164 V C 2.469 178.586 176.094 0.038 0.000 1.051 164 V CA 1.790 64.089 62.300 -0.002 0.000 1.048 164 V CB -0.847 31.002 31.823 0.044 0.000 0.666 164 V HN 0.507 nan 8.190 nan 0.000 0.456 165 R N -0.244 120.342 120.500 0.144 0.000 2.075 165 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 165 R C 2.577 178.992 176.300 0.192 0.000 1.126 165 R CA 1.388 57.636 56.100 0.247 0.000 0.963 165 R CB -0.070 30.383 30.300 0.254 0.000 0.858 165 R HN 0.461 nan 8.270 nan 0.000 0.435 166 R N -0.707 119.863 120.500 0.118 0.000 2.075 166 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 166 R C 2.057 178.404 176.300 0.079 0.000 1.114 166 R CA 1.128 57.279 56.100 0.086 0.000 0.972 166 R CB 0.020 30.354 30.300 0.055 0.000 0.869 166 R HN 0.167 nan 8.270 nan 0.000 0.437 167 M N -0.841 118.795 119.600 0.061 0.000 2.567 167 M HA 0.267 4.747 4.480 -0.000 0.000 0.261 167 M C 0.686 177.009 176.300 0.038 0.000 1.180 167 M CA 0.547 55.873 55.300 0.043 0.000 1.143 167 M CB 0.463 33.076 32.600 0.022 0.000 1.319 167 M HN 0.253 nan 8.290 nan 0.000 0.490 168 G N 0.897 109.704 108.800 0.011 0.000 2.587 168 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.686 168 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.686 168 G C -2.658 172.116 174.900 -0.210 0.000 1.236 168 G CA -1.014 44.036 45.100 -0.084 0.000 0.820 168 G HN 0.001 nan 8.290 nan 0.000 0.645 169 P HA -0.035 nan 4.420 nan 0.000 0.218 169 P C 1.446 178.668 177.300 -0.131 0.000 1.148 169 P CA 1.781 64.715 63.100 -0.277 0.000 0.822 169 P CB 0.046 31.537 31.700 -0.349 0.000 0.784 170 D N -1.086 119.256 120.400 -0.098 0.000 2.363 170 D HA -0.108 4.532 4.640 -0.000 0.000 0.220 170 D C 0.927 177.205 176.300 -0.037 0.000 0.994 170 D CA 0.666 54.633 54.000 -0.055 0.000 0.890 170 D CB -0.530 40.248 40.800 -0.036 0.000 0.906 170 D HN 0.196 nan 8.370 nan 0.000 0.530 171 R N -0.205 120.274 120.500 -0.035 0.000 2.700 171 R HA 0.666 5.005 4.340 -0.000 0.000 0.399 171 R C -0.371 175.924 176.300 -0.009 0.000 1.115 171 R CA -0.129 55.961 56.100 -0.016 0.000 1.058 171 R CB 1.389 31.685 30.300 -0.006 0.000 1.389 171 R HN 0.149 nan 8.270 nan 0.000 0.582 172 A N 0.560 123.373 122.820 -0.012 0.000 2.586 172 A HA 0.519 4.839 4.320 -0.000 0.000 0.291 172 A C -2.894 174.703 177.584 0.022 0.000 1.062 172 A CA -1.566 50.476 52.037 0.008 0.000 0.666 172 A CB 1.097 20.101 19.000 0.007 0.000 1.281 172 A HN -0.075 nan 8.150 nan 0.000 0.421 173 P HA 0.140 nan 4.420 nan 0.000 0.269 173 P C 0.483 177.840 177.300 0.094 0.000 1.263 173 P CA 0.415 63.559 63.100 0.074 0.000 0.813 173 P CB 0.585 32.342 31.700 0.095 0.000 0.868 174 S N 2.365 118.085 115.700 0.032 0.000 2.685 174 S HA 0.366 4.836 4.470 -0.000 0.000 0.240 174 S C 1.301 175.769 174.600 -0.219 0.000 0.967 174 S CA -0.059 58.136 58.200 -0.008 0.000 1.009 174 S CB -1.047 62.117 63.200 -0.060 0.000 0.776 174 S HN 0.615 nan 8.310 nan 0.000 0.467 175 G N 2.037 110.644 108.800 -0.322 0.000 2.634 175 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.309 175 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.309 175 G C 0.411 175.066 174.900 -0.408 0.000 1.265 175 G CA 0.462 45.194 45.100 -0.614 0.000 0.998 175 G HN 0.628 nan 8.290 nan 0.000 0.551 176 W N 0.881 122.056 121.300 -0.210 0.000 2.632 176 W HA 0.283 4.943 4.660 -0.000 0.000 0.248 176 W C 2.458 178.906 176.519 -0.118 0.000 1.259 176 W CA 0.366 57.648 57.345 -0.106 0.000 1.288 176 W CB -0.210 29.221 29.460 -0.049 0.000 1.136 176 W HN 0.271 nan 8.180 nan 0.000 0.640 177 L N 0.243 121.472 121.223 0.009 0.000 2.492 177 L HA 0.001 4.340 4.340 -0.000 0.000 0.223 177 L C 0.938 177.785 176.870 -0.038 0.000 1.132 177 L CA 0.370 55.169 54.840 -0.068 0.000 0.850 177 L CB -0.600 41.370 42.059 -0.149 0.000 0.966 177 L HN -0.117 nan 8.230 nan 0.000 0.454 178 N N 1.046 119.737 118.700 -0.016 0.000 2.462 178 N HA 0.003 4.743 4.740 -0.000 0.000 0.242 178 N C 1.061 176.607 175.510 0.060 0.000 1.010 178 N CA -0.173 52.880 53.050 0.005 0.000 0.939 178 N CB 1.073 39.565 38.487 0.008 0.000 1.127 178 N HN 0.257 nan 8.380 nan 0.000 0.509 179 E N 2.136 122.368 120.200 0.053 0.000 2.219 179 E HA -0.220 4.129 4.350 -0.000 0.000 0.198 179 E C 0.279 176.957 176.600 0.130 0.000 0.998 179 E CA 1.046 57.497 56.400 0.086 0.000 0.818 179 E CB 0.022 29.750 29.700 0.046 0.000 0.741 179 E HN 0.480 nan 8.360 nan 0.000 0.477 180 E N 1.071 121.343 120.200 0.119 0.000 2.401 180 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 180 E C 2.184 178.970 176.600 0.309 0.000 1.023 180 E CA 1.206 57.718 56.400 0.187 0.000 0.859 180 E CB -0.120 29.657 29.700 0.130 0.000 0.780 180 E HN 0.518 nan 8.360 nan 0.000 0.523 181 S N -0.175 115.678 115.700 0.256 0.000 2.419 181 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 181 S C 2.180 177.036 174.600 0.426 0.000 1.016 181 S CA 0.983 59.332 58.200 0.248 0.000 0.974 181 S CB -0.494 62.694 63.200 -0.021 0.000 0.786 181 S HN 0.065 nan 8.310 nan 0.000 0.492 182 V N 1.770 121.911 119.914 0.379 0.000 2.295 182 V HA -0.137 3.982 4.120 -0.000 0.000 0.246 182 V C 2.678 178.973 176.094 0.335 0.000 1.049 182 V CA 1.730 64.256 62.300 0.376 0.000 1.024 182 V CB -0.859 31.107 31.823 0.239 0.000 0.648 182 V HN 0.472 nan 8.190 nan 0.000 0.447 183 V N -0.193 119.885 119.914 0.273 0.000 2.358 183 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 183 V C 2.595 178.849 176.094 0.266 0.000 1.047 183 V CA 1.750 64.183 62.300 0.223 0.000 1.035 183 V CB -0.676 31.261 31.823 0.190 0.000 0.658 183 V HN 0.526 nan 8.190 nan 0.000 0.452 184 E N -0.370 120.065 120.200 0.392 0.000 2.106 184 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 184 E C 1.976 178.866 176.600 0.483 0.000 0.984 184 E CA 1.141 57.831 56.400 0.483 0.000 0.806 184 E CB -0.452 29.652 29.700 0.674 0.000 0.750 184 E HN 0.603 nan 8.360 nan 0.000 0.458 185 F N 1.643 121.748 119.950 0.258 0.000 2.146 185 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 185 F C 2.220 178.017 175.800 -0.004 0.000 1.096 185 F CA 1.152 59.076 58.000 -0.127 0.000 1.275 185 F CB -0.441 38.606 39.000 0.078 0.000 1.008 185 F HN -0.015 nan 8.300 nan 0.000 0.480 186 A N 0.153 123.000 122.820 0.046 0.000 1.902 186 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 186 A C 2.247 179.770 177.584 -0.103 0.000 1.181 186 A CA 1.942 53.933 52.037 -0.077 0.000 0.623 186 A CB -0.644 18.366 19.000 0.017 0.000 0.818 186 A HN 0.446 nan 8.150 nan 0.000 0.443 187 K N -1.696 118.696 120.400 -0.014 0.000 2.057 187 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 187 K C 1.987 178.589 176.600 0.003 0.000 1.050 187 K CA 1.578 57.853 56.287 -0.019 0.000 0.935 187 K CB -0.406 32.085 32.500 -0.015 0.000 0.715 187 K HN 0.595 nan 8.250 nan 0.000 0.439 188 Y N 1.515 121.730 120.300 -0.143 0.000 2.181 188 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 188 Y C 2.087 177.910 175.900 -0.128 0.000 1.146 188 Y CA 1.221 59.296 58.100 -0.041 0.000 1.164 188 Y CB -0.537 37.646 38.460 -0.461 0.000 0.982 188 Y HN 0.033 nan 8.280 nan 0.000 0.515 189 A N 0.741 123.217 122.820 -0.572 0.000 1.898 189 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 189 A C 2.484 179.799 177.584 -0.448 0.000 1.181 189 A CA 1.957 53.593 52.037 -0.667 0.000 0.620 189 A CB -1.529 17.071 19.000 -0.667 0.000 0.819 189 A HN 0.628 nan 8.150 nan 0.000 0.442 190 A N -1.430 121.212 122.820 -0.298 0.000 1.902 190 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 190 A C 2.159 179.490 177.584 -0.422 0.000 1.181 190 A CA 1.751 53.592 52.037 -0.327 0.000 0.623 190 A CB -0.873 18.016 19.000 -0.185 0.000 0.818 190 A HN 0.726 nan 8.150 nan 0.000 0.443 191 Y N 0.612 120.754 120.300 -0.263 0.000 2.145 191 Y HA -0.207 4.342 4.550 -0.000 0.000 0.286 191 Y C 2.052 177.993 175.900 0.069 0.000 1.145 191 Y CA 1.635 59.720 58.100 -0.024 0.000 1.148 191 Y CB -0.127 38.473 38.460 0.234 0.000 0.981 191 Y HN 0.242 nan 8.280 nan 0.000 0.507 192 I N 0.237 120.686 120.570 -0.201 0.000 2.252 192 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 192 I C 2.663 178.682 176.117 -0.162 0.000 1.102 192 I CA 1.427 62.589 61.300 -0.229 0.000 1.385 192 I CB -1.973 35.864 38.000 -0.271 0.000 1.064 192 I HN 0.343 nan 8.210 nan 0.000 0.414 193 A N 1.349 123.966 122.820 -0.338 0.000 1.883 193 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 193 A C 2.269 179.806 177.584 -0.077 0.000 1.186 193 A CA 1.762 53.568 52.037 -0.386 0.000 0.624 193 A CB -1.188 17.487 19.000 -0.543 0.000 0.822 193 A HN 0.704 nan 8.150 nan 0.000 0.444 194 W N 0.295 121.329 121.300 -0.444 0.000 2.418 194 W HA -0.035 4.624 4.660 -0.000 0.000 0.292 194 W C 1.455 177.841 176.519 -0.221 0.000 1.213 194 W CA 1.664 58.803 57.345 -0.343 0.000 1.283 194 W CB -0.395 28.655 29.460 -0.684 0.000 1.119 194 W HN 0.145 nan 8.180 nan 0.000 0.542 195 K N 0.766 120.733 120.400 -0.721 0.000 2.116 195 K HA 0.006 4.325 4.320 -0.000 0.000 0.203 195 K C 1.827 178.205 176.600 -0.370 0.000 1.052 195 K CA 1.410 57.228 56.287 -0.782 0.000 0.952 195 K CB -0.306 31.774 32.500 -0.699 0.000 0.729 195 K HN 0.317 nan 8.250 nan 0.000 0.446 196 M N -0.971 118.544 119.600 -0.141 0.000 2.412 196 M HA 0.173 4.653 4.480 -0.000 0.000 0.315 196 M C 1.474 177.837 176.300 0.106 0.000 1.092 196 M CA -0.077 55.222 55.300 -0.001 0.000 0.974 196 M CB 0.987 33.630 32.600 0.072 0.000 1.437 196 M HN -0.024 nan 8.290 nan 0.000 0.524 197 G N 1.268 110.186 108.800 0.198 0.000 2.485 197 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.221 197 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.221 197 G C 1.303 176.287 174.900 0.139 0.000 1.115 197 G CA 0.980 46.306 45.100 0.376 0.000 0.751 197 G HN 0.528 nan 8.290 nan 0.000 0.567 198 E N -0.272 119.942 120.200 0.023 0.000 2.285 198 E HA 0.079 4.429 4.350 -0.000 0.000 0.194 198 E C 2.461 179.022 176.600 -0.066 0.000 0.997 198 E CA -0.045 56.343 56.400 -0.020 0.000 0.845 198 E CB -0.046 29.632 29.700 -0.036 0.000 0.782 198 E HN 0.420 nan 8.360 nan 0.000 0.491 199 L N 1.535 122.707 121.223 -0.086 0.000 1.976 199 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 199 L C -1.099 175.658 176.870 -0.188 0.000 1.071 199 L CA 0.556 55.334 54.840 -0.103 0.000 0.746 199 L CB -1.633 40.401 42.059 -0.042 0.000 0.890 199 L HN 0.117 nan 8.230 nan 0.000 0.432 200 P HA 0.019 nan 4.420 nan 0.000 0.276 200 P C 0.533 177.610 177.300 -0.371 0.000 1.244 200 P CA 0.123 62.955 63.100 -0.447 0.000 0.801 200 P CB 1.740 32.953 31.700 -0.811 0.000 1.006 201 V N -1.978 117.748 119.914 -0.314 0.000 3.471 201 V HA 0.282 4.401 4.120 -0.000 0.000 0.258 201 V C 0.917 176.856 176.094 -0.258 0.000 1.192 201 V CA 0.736 62.894 62.300 -0.237 0.000 1.116 201 V CB -0.812 30.890 31.823 -0.201 0.000 0.792 201 V HN 0.376 nan 8.190 nan 0.000 0.459 202 M N -1.357 118.035 119.600 -0.346 0.000 2.578 202 M HA 0.547 5.026 4.480 -0.000 0.000 0.276 202 M C -1.984 174.214 176.300 -0.169 0.000 1.245 202 M CA -0.240 54.923 55.300 -0.229 0.000 0.871 202 M CB 2.511 34.841 32.600 -0.451 0.000 1.722 202 M HN 0.114 nan 8.290 nan 0.000 0.473 203 W N -0.048 121.407 121.300 0.258 0.000 2.647 203 W HA 0.772 5.432 4.660 -0.000 0.000 0.353 203 W C -0.188 176.620 176.519 0.482 0.000 1.080 203 W CA -0.540 56.972 57.345 0.279 0.000 1.208 203 W CB 1.699 31.250 29.460 0.150 0.000 1.396 203 W HN 0.521 nan 8.180 nan 0.000 0.573 204 S N -0.177 115.892 115.700 0.615 0.000 2.614 204 S HA 0.296 4.766 4.470 -0.000 0.000 0.288 204 S C 0.703 175.546 174.600 0.405 0.000 1.137 204 S CA -0.107 58.343 58.200 0.417 0.000 0.992 204 S CB 1.012 64.424 63.200 0.354 0.000 1.026 204 S HN 0.575 nan 8.310 nan 0.000 0.486 205 T N 2.249 117.040 114.554 0.395 0.000 2.812 205 T HA 0.180 4.530 4.350 -0.000 0.000 0.264 205 T C 0.866 175.920 174.700 0.590 0.000 1.042 205 T CA 0.940 63.334 62.100 0.491 0.000 1.140 205 T CB -0.511 68.723 68.868 0.611 0.000 0.870 205 T HN 0.788 nan 8.240 nan 0.000 0.445 206 M N -0.336 119.521 119.600 0.429 0.000 2.644 206 M HA 0.604 5.083 4.480 -0.000 0.000 0.273 206 M C -1.907 174.495 176.300 0.170 0.000 1.253 206 M CA -1.089 54.458 55.300 0.411 0.000 0.852 206 M CB 1.925 34.791 32.600 0.443 0.000 1.708 206 M HN -0.074 nan 8.290 nan 0.000 0.471 207 N N 0.650 119.390 118.700 0.066 0.000 2.424 207 N HA 0.287 5.027 4.740 -0.000 0.000 0.271 207 N C -1.092 174.359 175.510 -0.098 0.000 0.985 207 N CA -0.028 52.912 53.050 -0.183 0.000 0.921 207 N CB 1.022 39.087 38.487 -0.704 0.000 1.149 207 N HN 0.819 nan 8.380 nan 0.000 0.492 208 E N 2.029 122.122 120.200 -0.178 0.000 2.160 208 E HA -0.193 4.156 4.350 -0.000 0.000 0.180 208 E C -1.691 174.736 176.600 -0.289 0.000 1.452 208 E CA 0.073 56.289 56.400 -0.307 0.000 0.683 208 E CB -0.635 28.970 29.700 -0.159 0.000 1.072 208 E HN 0.680 nan 8.360 nan 0.000 0.332 209 P HA -0.251 nan 4.420 nan 0.000 0.218 209 P C 1.100 178.018 177.300 -0.636 0.000 1.148 209 P CA 1.622 64.528 63.100 -0.324 0.000 0.822 209 P CB 0.011 31.512 31.700 -0.332 0.000 0.784 210 N N 0.627 118.805 118.700 -0.870 0.000 2.223 210 N HA -0.097 4.643 4.740 -0.000 0.000 0.185 210 N C 1.696 176.476 175.510 -1.217 0.000 1.016 210 N CA 1.144 53.420 53.050 -1.289 0.000 0.863 210 N CB -1.678 36.346 38.487 -0.771 0.000 0.983 210 N HN 0.072 nan 8.380 nan 0.000 0.429 211 V N 1.021 120.413 119.914 -0.871 0.000 2.427 211 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 211 V C 2.688 178.242 176.094 -0.898 0.000 1.051 211 V CA 0.914 62.727 62.300 -0.812 0.000 1.048 211 V CB -0.398 31.013 31.823 -0.685 0.000 0.666 211 V HN 0.113 nan 8.190 nan 0.000 0.456 212 V N 0.631 120.040 119.914 -0.842 0.000 2.255 212 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 212 V C 2.356 178.261 176.094 -0.316 0.000 1.051 212 V CA 2.798 64.756 62.300 -0.569 0.000 1.018 212 V CB -0.933 30.721 31.823 -0.282 0.000 0.641 212 V HN 0.804 nan 8.190 nan 0.000 0.445 213 Y N 0.379 120.584 120.300 -0.159 0.000 2.420 213 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 213 Y C 2.164 178.019 175.900 -0.075 0.000 1.119 213 Y CA 0.783 58.898 58.100 0.026 0.000 1.229 213 Y CB -0.918 37.578 38.460 0.059 0.000 1.026 213 Y HN 0.275 nan 8.280 nan 0.000 0.554 214 E N 0.307 120.339 120.200 -0.279 0.000 2.072 214 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 214 E C 2.098 178.455 176.600 -0.405 0.000 0.982 214 E CA 1.076 57.288 56.400 -0.314 0.000 0.803 214 E CB -0.045 29.451 29.700 -0.341 0.000 0.755 214 E HN 0.454 nan 8.360 nan 0.000 0.453 215 Q N -0.261 119.259 119.800 -0.466 0.000 2.083 215 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 215 Q C 2.289 178.077 176.000 -0.353 0.000 0.969 215 Q CA 1.400 56.899 55.803 -0.507 0.000 0.838 215 Q CB -0.433 27.556 28.738 -1.249 0.000 0.900 215 Q HN 0.341 nan 8.270 nan 0.000 0.436 216 G N -1.096 107.463 108.800 -0.401 0.000 2.448 216 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.218 216 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.218 216 G C 0.563 175.023 174.900 -0.733 0.000 1.135 216 G CA 0.476 45.217 45.100 -0.598 0.000 0.784 216 G HN 0.325 nan 8.290 nan 0.000 0.543 217 Y N -1.543 118.710 120.300 -0.077 0.000 2.527 217 Y HA 0.511 5.061 4.550 -0.000 0.000 0.247 217 Y C 1.984 177.793 175.900 -0.151 0.000 1.138 217 Y CA -0.299 57.770 58.100 -0.052 0.000 1.228 217 Y CB 0.554 39.015 38.460 0.001 0.000 1.252 217 Y HN 0.063 nan 8.280 nan 0.000 0.531 218 M N -2.314 117.174 119.600 -0.187 0.000 2.741 218 M HA 0.243 4.722 4.480 -0.000 0.000 0.211 218 M C -0.112 175.996 176.300 -0.321 0.000 1.811 218 M CA 0.504 55.574 55.300 -0.382 0.000 1.185 218 M CB 0.391 32.513 32.600 -0.796 0.000 1.320 218 M HN -0.074 nan 8.290 nan 0.000 0.583 219 F N 2.699 122.601 119.950 -0.082 0.000 2.733 219 F HA 0.123 4.650 4.527 -0.000 0.000 0.344 219 F C 1.644 177.405 175.800 -0.065 0.000 1.179 219 F CA -0.797 57.151 58.000 -0.086 0.000 1.316 219 F CB -0.352 38.558 39.000 -0.150 0.000 1.577 219 F HN 0.015 nan 8.300 nan 0.000 0.591 220 V N -1.862 118.106 119.914 0.089 0.000 2.660 220 V HA -0.274 3.846 4.120 -0.000 0.000 0.257 220 V C 1.853 178.031 176.094 0.140 0.000 1.088 220 V CA 1.504 63.856 62.300 0.087 0.000 1.106 220 V CB -0.585 31.275 31.823 0.061 0.000 0.686 220 V HN 0.508 nan 8.190 nan 0.000 0.481 221 K N 1.218 121.703 120.400 0.141 0.000 2.504 221 K HA 0.096 4.416 4.320 -0.000 0.000 0.195 221 K C 2.028 178.731 176.600 0.172 0.000 1.036 221 K CA 0.914 57.284 56.287 0.138 0.000 0.984 221 K CB -0.322 32.246 32.500 0.113 0.000 0.788 221 K HN 0.649 nan 8.250 nan 0.000 0.488 222 G N 0.712 109.625 108.800 0.188 0.000 2.744 222 G HA2 0.005 3.965 3.960 -0.000 0.000 0.211 222 G HA3 0.005 3.965 3.960 -0.000 0.000 0.211 222 G C 0.932 176.084 174.900 0.421 0.000 1.143 222 G CA 0.426 45.673 45.100 0.245 0.000 0.788 222 G HN 0.371 nan 8.290 nan 0.000 0.534 223 G N -1.171 107.866 108.800 0.396 0.000 2.147 223 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.244 223 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.244 223 G C 0.018 175.288 174.900 0.616 0.000 1.005 223 G CA -0.121 45.284 45.100 0.508 0.000 0.713 223 G HN 0.246 nan 8.290 nan 0.000 0.515 224 F N 1.929 121.905 119.950 0.042 0.000 2.385 224 F HA 0.525 5.052 4.527 -0.000 0.000 0.336 224 F C -1.097 174.082 175.800 -1.036 0.000 1.100 224 F CA -2.599 55.149 58.000 -0.421 0.000 1.116 224 F CB 1.484 40.304 39.000 -0.299 0.000 1.166 224 F HN -0.089 nan 8.300 nan 0.000 0.511 225 P HA 0.118 nan 4.420 nan 0.000 0.275 225 P C -2.458 174.274 177.300 -0.946 0.000 1.228 225 P CA -1.353 60.452 63.100 -2.159 0.000 0.786 225 P CB 1.239 31.707 31.700 -2.053 0.000 0.927 226 P HA 0.058 nan 4.420 nan 0.000 0.262 226 P C 0.801 177.963 177.300 -0.229 0.000 1.304 226 P CA 0.408 63.186 63.100 -0.536 0.000 0.859 226 P CB -0.264 31.416 31.700 -0.032 0.000 1.310 227 G N 0.588 109.222 108.800 -0.277 0.000 2.295 227 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.287 227 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.287 227 G C -0.549 174.440 174.900 0.148 0.000 1.055 227 G CA -0.029 45.104 45.100 0.056 0.000 0.922 227 G HN 0.517 nan 8.290 nan 0.000 0.503 228 Y N 0.298 120.591 120.300 -0.013 0.000 2.717 228 Y HA 0.570 5.120 4.550 -0.000 0.000 0.329 228 Y C 0.536 176.526 175.900 0.151 0.000 1.017 228 Y CA -1.624 56.545 58.100 0.114 0.000 1.275 228 Y CB 0.525 39.107 38.460 0.203 0.000 1.109 228 Y HN 0.278 nan 8.280 nan 0.000 0.511 229 L N 5.561 126.667 121.223 -0.194 0.000 2.615 229 L HA 0.271 4.610 4.340 -0.000 0.000 0.271 229 L C -0.340 176.382 176.870 -0.247 0.000 1.183 229 L CA 0.789 55.534 54.840 -0.158 0.000 0.933 229 L CB -0.070 41.913 42.059 -0.127 0.000 1.199 229 L HN 0.623 nan 8.230 nan 0.000 0.487 230 S N 4.432 120.089 115.700 -0.072 0.000 2.482 230 S HA 0.264 4.734 4.470 -0.000 0.000 0.295 230 S C 0.625 175.212 174.600 -0.022 0.000 1.038 230 S CA -0.728 57.441 58.200 -0.053 0.000 0.968 230 S CB 0.007 63.219 63.200 0.020 0.000 1.182 230 S HN 0.628 nan 8.310 nan 0.000 0.441 231 L N 3.495 124.685 121.223 -0.055 0.000 2.131 231 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 231 L C 2.614 179.427 176.870 -0.094 0.000 1.092 231 L CA 1.627 56.422 54.840 -0.075 0.000 0.759 231 L CB -0.290 41.725 42.059 -0.072 0.000 0.903 231 L HN 0.796 nan 8.230 nan 0.000 0.435 232 E N 0.711 120.865 120.200 -0.076 0.000 2.077 232 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 232 E C 2.237 178.756 176.600 -0.134 0.000 0.989 232 E CA 1.216 57.563 56.400 -0.089 0.000 0.800 232 E CB 0.040 29.709 29.700 -0.051 0.000 0.746 232 E HN 0.467 nan 8.360 nan 0.000 0.452 233 A N 1.017 123.756 122.820 -0.136 0.000 1.929 233 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 233 A C 2.349 179.625 177.584 -0.513 0.000 1.176 233 A CA 1.464 53.306 52.037 -0.324 0.000 0.628 233 A CB -0.581 18.254 19.000 -0.275 0.000 0.816 233 A HN 0.400 nan 8.150 nan 0.000 0.444 234 A N 0.321 122.968 122.820 -0.288 0.000 1.877 234 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 234 A C 1.771 179.167 177.584 -0.313 0.000 1.186 234 A CA 1.854 53.788 52.037 -0.172 0.000 0.620 234 A CB -0.573 18.410 19.000 -0.028 0.000 0.822 234 A HN 0.456 nan 8.150 nan 0.000 0.443 235 D N -0.576 119.656 120.400 -0.281 0.000 2.144 235 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 235 D C 1.885 178.012 176.300 -0.289 0.000 0.984 235 D CA 1.505 55.322 54.000 -0.306 0.000 0.834 235 D CB -0.221 40.442 40.800 -0.229 0.000 0.955 235 D HN 0.589 nan 8.370 nan 0.000 0.465 236 K N 0.762 121.012 120.400 -0.250 0.000 2.026 236 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 236 K C 2.065 178.545 176.600 -0.199 0.000 1.048 236 K CA 1.269 57.434 56.287 -0.202 0.000 0.929 236 K CB -0.031 32.356 32.500 -0.188 0.000 0.713 236 K HN 0.002 nan 8.250 nan 0.000 0.439 237 A N 1.773 124.445 122.820 -0.246 0.000 1.902 237 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 237 A C 2.178 179.642 177.584 -0.201 0.000 1.181 237 A CA 1.620 53.586 52.037 -0.118 0.000 0.623 237 A CB -0.680 18.309 19.000 -0.018 0.000 0.818 237 A HN 0.383 nan 8.150 nan 0.000 0.443 238 R N -0.172 120.037 120.500 -0.484 0.000 2.083 238 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 238 R C 2.446 178.551 176.300 -0.325 0.000 1.137 238 R CA 1.885 57.582 56.100 -0.672 0.000 0.951 238 R CB -0.420 29.199 30.300 -1.135 0.000 0.851 238 R HN 0.591 nan 8.270 nan 0.000 0.434 239 R N 0.282 120.621 120.500 -0.269 0.000 2.080 239 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 239 R C 1.780 177.989 176.300 -0.152 0.000 1.137 239 R CA 2.115 58.100 56.100 -0.192 0.000 0.943 239 R CB -0.297 29.917 30.300 -0.143 0.000 0.846 239 R HN 0.304 nan 8.270 nan 0.000 0.431 240 N N 0.216 118.859 118.700 -0.094 0.000 2.309 240 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 240 N C 1.725 177.202 175.510 -0.056 0.000 1.018 240 N CA 1.389 54.438 53.050 -0.002 0.000 0.876 240 N CB -0.119 38.444 38.487 0.128 0.000 0.972 240 N HN 0.372 nan 8.380 nan 0.000 0.434 241 M N 0.090 119.557 119.600 -0.221 0.000 2.254 241 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 241 M C 1.831 178.044 176.300 -0.145 0.000 1.066 241 M CA 0.940 55.996 55.300 -0.407 0.000 1.123 241 M CB -0.069 32.269 32.600 -0.436 0.000 1.388 241 M HN 0.043 nan 8.290 nan 0.000 0.425 242 I N -0.110 120.299 120.570 -0.268 0.000 2.252 242 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 242 I C 2.392 178.419 176.117 -0.151 0.000 1.102 242 I CA 1.389 62.421 61.300 -0.447 0.000 1.385 242 I CB -0.410 37.178 38.000 -0.686 0.000 1.064 242 I HN 0.389 nan 8.210 nan 0.000 0.414 243 Q N 0.600 120.338 119.800 -0.103 0.000 2.079 243 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 243 Q C 2.514 178.555 176.000 0.069 0.000 0.974 243 Q CA 1.592 57.380 55.803 -0.024 0.000 0.840 243 Q CB -0.270 28.465 28.738 -0.006 0.000 0.898 243 Q HN 0.559 nan 8.270 nan 0.000 0.430 244 A N 0.846 123.738 122.820 0.120 0.000 1.908 244 A HA -0.283 4.036 4.320 -0.000 0.000 0.218 244 A C 1.817 179.618 177.584 0.362 0.000 1.181 244 A CA 2.077 54.291 52.037 0.294 0.000 0.627 244 A CB -0.848 18.278 19.000 0.211 0.000 0.818 244 A HN 0.506 nan 8.150 nan 0.000 0.445 245 H N -0.054 119.121 119.070 0.176 0.000 2.293 245 H HA 0.040 4.596 4.556 -0.000 0.000 0.300 245 H C 2.171 177.598 175.328 0.165 0.000 1.082 245 H CA 2.193 58.376 56.048 0.225 0.000 1.308 245 H CB -0.436 29.434 29.762 0.180 0.000 1.375 245 H HN 0.360 nan 8.280 nan 0.000 0.495 246 A N 0.506 123.270 122.820 -0.095 0.000 1.883 246 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 246 A C 2.444 179.968 177.584 -0.100 0.000 1.186 246 A CA 1.977 53.908 52.037 -0.176 0.000 0.624 246 A CB -0.550 18.389 19.000 -0.101 0.000 0.822 246 A HN 0.401 nan 8.150 nan 0.000 0.444 247 R N -0.443 120.039 120.500 -0.029 0.000 2.092 247 R HA 0.074 4.414 4.340 -0.000 0.000 0.231 247 R C 2.311 178.584 176.300 -0.045 0.000 1.119 247 R CA 1.425 57.505 56.100 -0.033 0.000 0.970 247 R CB -0.743 29.568 30.300 0.019 0.000 0.864 247 R HN 0.489 nan 8.270 nan 0.000 0.440 248 A N -0.791 122.020 122.820 -0.015 0.000 1.930 248 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 248 A C 2.010 179.514 177.584 -0.132 0.000 1.175 248 A CA 1.316 53.278 52.037 -0.125 0.000 0.627 248 A CB -0.779 18.177 19.000 -0.074 0.000 0.815 248 A HN 0.481 nan 8.150 nan 0.000 0.443 249 Y N 1.378 121.517 120.300 -0.267 0.000 2.145 249 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 249 Y C 1.898 177.693 175.900 -0.176 0.000 1.145 249 Y CA 2.090 60.041 58.100 -0.248 0.000 1.148 249 Y CB -0.224 38.036 38.460 -0.334 0.000 0.981 249 Y HN 0.361 nan 8.280 nan 0.000 0.507 250 D N -0.120 120.350 120.400 0.117 0.000 2.123 250 D HA -0.210 4.429 4.640 -0.000 0.000 0.196 250 D C 1.677 177.936 176.300 -0.068 0.000 0.992 250 D CA 1.503 55.524 54.000 0.035 0.000 0.833 250 D CB -0.451 40.325 40.800 -0.041 0.000 0.954 250 D HN 0.485 nan 8.370 nan 0.000 0.455 251 N N 0.380 119.026 118.700 -0.091 0.000 2.409 251 N HA -0.001 4.738 4.740 -0.000 0.000 0.179 251 N C 2.038 177.528 175.510 -0.032 0.000 1.032 251 N CA 0.199 53.227 53.050 -0.036 0.000 0.898 251 N CB 0.333 38.787 38.487 -0.055 0.000 0.971 251 N HN 0.287 nan 8.380 nan 0.000 0.441 252 I N 1.236 121.667 120.570 -0.233 0.000 2.286 252 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 252 I C 2.024 177.962 176.117 -0.298 0.000 1.104 252 I CA 0.778 61.827 61.300 -0.419 0.000 1.397 252 I CB -0.053 37.513 38.000 -0.723 0.000 1.072 252 I HN -0.094 nan 8.210 nan 0.000 0.417 253 K N 0.834 121.055 120.400 -0.299 0.000 2.211 253 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 253 K C 2.056 178.571 176.600 -0.141 0.000 1.047 253 K CA 1.120 57.272 56.287 -0.225 0.000 0.935 253 K CB -0.480 31.877 32.500 -0.240 0.000 0.728 253 K HN 0.312 nan 8.250 nan 0.000 0.452 254 R N -0.442 119.973 120.500 -0.142 0.000 2.115 254 R HA -0.066 4.274 4.340 -0.000 0.000 0.230 254 R C 1.146 177.144 176.300 -0.503 0.000 1.111 254 R CA 1.188 57.099 56.100 -0.316 0.000 0.976 254 R CB 0.082 30.146 30.300 -0.393 0.000 0.870 254 R HN 0.081 nan 8.270 nan 0.000 0.445 255 F N -1.609 118.299 119.950 -0.069 0.000 2.706 255 F HA 0.342 4.869 4.527 -0.000 0.000 0.308 255 F C 0.087 175.886 175.800 -0.003 0.000 1.095 255 F CA -0.319 57.678 58.000 -0.004 0.000 1.244 255 F CB 1.087 40.111 39.000 0.040 0.000 1.063 255 F HN -0.178 nan 8.300 nan 0.000 0.582 256 S N 0.390 116.143 115.700 0.089 0.000 2.649 256 S HA 0.325 4.795 4.470 -0.000 0.000 0.274 256 S C 0.127 174.763 174.600 0.061 0.000 1.176 256 S CA -0.727 57.550 58.200 0.127 0.000 0.988 256 S CB 0.748 64.097 63.200 0.248 0.000 1.071 256 S HN -0.019 nan 8.310 nan 0.000 0.478 257 K N 3.040 123.489 120.400 0.082 0.000 2.476 257 K HA 0.215 4.535 4.320 -0.000 0.000 0.196 257 K C 0.243 176.898 176.600 0.092 0.000 1.025 257 K CA 0.063 56.380 56.287 0.051 0.000 1.138 257 K CB -0.277 32.247 32.500 0.039 0.000 0.860 257 K HN 0.508 nan 8.250 nan 0.000 0.515 258 K N 1.566 122.076 120.400 0.182 0.000 2.138 258 K HA 0.173 4.493 4.320 -0.000 0.000 0.251 258 K C -2.482 174.263 176.600 0.242 0.000 1.015 258 K CA -1.829 54.584 56.287 0.211 0.000 0.917 258 K CB -0.082 32.576 32.500 0.263 0.000 1.021 258 K HN -0.189 nan 8.250 nan 0.000 0.485 259 P HA -0.012 nan 4.420 nan 0.000 0.267 259 P C -1.145 176.447 177.300 0.487 0.000 1.205 259 P CA 0.026 63.304 63.100 0.296 0.000 0.765 259 P CB 0.544 32.370 31.700 0.209 0.000 0.828 260 V N 4.004 124.167 119.914 0.414 0.000 2.409 260 V HA 0.713 4.833 4.120 -0.000 0.000 0.291 260 V C 0.753 177.086 176.094 0.399 0.000 1.020 260 V CA -0.007 62.530 62.300 0.395 0.000 0.848 260 V CB 1.406 33.172 31.823 -0.096 0.000 0.990 260 V HN 0.778 nan 8.190 nan 0.000 0.430 261 G N 3.505 112.409 108.800 0.173 0.000 3.247 261 G HA2 0.838 4.797 3.960 -0.000 0.000 0.226 261 G HA3 0.838 4.797 3.960 -0.000 0.000 0.226 261 G C -1.418 173.331 174.900 -0.252 0.000 1.220 261 G CA -0.652 44.179 45.100 -0.448 0.000 0.875 261 G HN 0.734 nan 8.290 nan 0.000 0.606 262 L N -0.425 120.455 121.223 -0.570 0.000 2.513 262 L HA 0.658 4.998 4.340 -0.000 0.000 0.261 262 L C -1.527 175.135 176.870 -0.347 0.000 0.945 262 L CA -0.896 53.754 54.840 -0.316 0.000 0.848 262 L CB 2.023 43.879 42.059 -0.338 0.000 1.334 262 L HN 0.439 nan 8.230 nan 0.000 0.407 263 I N 4.119 124.593 120.570 -0.160 0.000 2.353 263 I HA 0.343 4.513 4.170 -0.000 0.000 0.293 263 I C -1.272 174.836 176.117 -0.015 0.000 0.992 263 I CA -0.395 60.875 61.300 -0.050 0.000 1.268 263 I CB 1.405 39.412 38.000 0.012 0.000 1.387 263 I HN 0.517 nan 8.210 nan 0.000 0.478 264 Y N 4.773 124.997 120.300 -0.126 0.000 2.512 264 Y HA 0.649 5.199 4.550 -0.000 0.000 0.348 264 Y C -0.291 175.432 175.900 -0.295 0.000 0.990 264 Y CA -1.050 56.847 58.100 -0.339 0.000 1.033 264 Y CB 1.978 40.090 38.460 -0.580 0.000 1.259 264 Y HN 0.552 nan 8.280 nan 0.000 0.461 265 A N 5.525 127.807 122.820 -0.896 0.000 2.343 265 A HA 0.511 4.831 4.320 -0.000 0.000 0.305 265 A C -1.635 175.681 177.584 -0.447 0.000 1.308 265 A CA -0.069 51.670 52.037 -0.496 0.000 0.949 265 A CB -1.058 17.638 19.000 -0.507 0.000 1.148 265 A HN 0.543 nan 8.150 nan 0.000 0.545 266 F N 1.555 121.617 119.950 0.188 0.000 2.411 266 F HA 0.438 4.965 4.527 -0.000 0.000 0.352 266 F C 0.384 176.454 175.800 0.449 0.000 1.123 266 F CA -0.389 57.812 58.000 0.335 0.000 1.044 266 F CB 1.934 41.202 39.000 0.446 0.000 1.135 266 F HN 0.510 nan 8.300 nan 0.000 0.461 267 Q N 2.695 122.844 119.800 0.582 0.000 2.222 267 Q HA 0.174 4.514 4.340 -0.000 0.000 0.252 267 Q C -0.860 175.660 176.000 0.866 0.000 0.926 267 Q CA -0.492 55.700 55.803 0.650 0.000 0.899 267 Q CB 1.515 30.455 28.738 0.337 0.000 1.250 267 Q HN 0.716 nan 8.270 nan 0.000 0.441 268 W N 4.728 126.475 121.300 0.745 0.000 2.357 268 W HA 0.302 4.962 4.660 -0.000 0.000 0.317 268 W C -1.382 175.528 176.519 0.653 0.000 1.101 268 W CA -0.751 56.992 57.345 0.662 0.000 1.380 268 W CB 0.265 30.104 29.460 0.632 0.000 1.266 268 W HN 0.538 nan 8.180 nan 0.000 0.419 269 F N 4.315 124.105 119.950 -0.267 0.000 2.518 269 F HA 0.150 4.677 4.527 -0.000 0.000 0.359 269 F C 0.595 176.327 175.800 -0.113 0.000 1.118 269 F CA 0.477 58.443 58.000 -0.057 0.000 1.287 269 F CB 0.655 39.561 39.000 -0.156 0.000 1.132 269 F HN 0.310 nan 8.300 nan 0.000 0.587 270 E N 1.855 122.276 120.200 0.369 0.000 2.412 270 E HA 0.615 4.965 4.350 -0.000 0.000 0.279 270 E C -1.384 175.129 176.600 -0.146 0.000 0.984 270 E CA -0.799 55.668 56.400 0.112 0.000 0.788 270 E CB 2.580 32.334 29.700 0.090 0.000 1.277 270 E HN 0.319 nan 8.360 nan 0.000 0.455 271 L N -2.082 118.923 121.223 -0.362 0.000 2.572 271 L HA 0.545 4.884 4.340 -0.000 0.000 0.236 271 L C -0.433 176.282 176.870 -0.257 0.000 1.190 271 L CA -0.934 53.651 54.840 -0.425 0.000 1.206 271 L CB -0.833 40.727 42.059 -0.831 0.000 1.619 271 L HN 0.342 nan 8.230 nan 0.000 0.446 272 L N 0.194 121.282 121.223 -0.225 0.000 2.347 272 L HA 0.185 4.525 4.340 -0.000 0.000 0.172 272 L C 1.808 178.625 176.870 -0.088 0.000 1.009 272 L CA 0.412 55.174 54.840 -0.130 0.000 0.974 272 L CB -1.154 40.843 42.059 -0.103 0.000 1.427 272 L HN 0.794 nan 8.230 nan 0.000 0.507 273 E N 0.399 120.569 120.200 -0.050 0.000 2.029 273 E HA 0.005 4.355 4.350 -0.000 0.000 0.217 273 E C 0.861 177.450 176.600 -0.020 0.000 0.903 273 E CA 0.965 57.354 56.400 -0.020 0.000 1.062 273 E CB -0.322 29.373 29.700 -0.007 0.000 0.908 273 E HN 0.733 nan 8.360 nan 0.000 0.569 274 G N 1.503 110.296 108.800 -0.012 0.000 4.873 274 G HA2 0.136 4.096 3.960 -0.000 0.000 0.314 274 G HA3 0.136 4.096 3.960 -0.000 0.000 0.314 274 G C -1.452 173.440 174.900 -0.012 0.000 1.426 274 G CA -0.648 44.450 45.100 -0.004 0.000 1.136 274 G HN 0.206 nan 8.290 nan 0.000 0.589 275 P HA 0.090 nan 4.420 nan 0.000 0.213 275 P C 0.761 178.054 177.300 -0.012 0.000 1.170 275 P CA 1.814 64.893 63.100 -0.035 0.000 0.898 275 P CB 0.614 32.268 31.700 -0.077 0.000 0.787 276 A N -1.454 121.366 122.820 0.001 0.000 2.375 276 A HA 0.281 4.601 4.320 -0.000 0.000 0.299 276 A C -0.228 177.398 177.584 0.070 0.000 1.044 276 A CA -0.161 51.895 52.037 0.031 0.000 0.585 276 A CB -0.326 18.692 19.000 0.030 0.000 1.438 276 A HN 0.020 nan 8.150 nan 0.000 0.574 277 E N -0.510 119.737 120.200 0.078 0.000 2.501 277 E HA 0.220 4.570 4.350 -0.000 0.000 0.201 277 E C 0.906 177.575 176.600 0.115 0.000 1.016 277 E CA 0.675 57.136 56.400 0.102 0.000 0.920 277 E CB 0.626 30.367 29.700 0.067 0.000 1.023 277 E HN 0.653 nan 8.360 nan 0.000 0.474 278 V N 0.565 120.548 119.914 0.115 0.000 2.913 278 V HA -0.145 3.975 4.120 -0.000 0.000 0.260 278 V C 1.490 177.695 176.094 0.185 0.000 1.098 278 V CA 1.221 63.587 62.300 0.111 0.000 1.121 278 V CB -0.562 31.306 31.823 0.076 0.000 0.714 278 V HN 0.409 nan 8.190 nan 0.000 0.487 279 F N 1.724 121.694 119.950 0.033 0.000 2.113 279 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 279 F C 1.908 177.775 175.800 0.112 0.000 1.103 279 F CA 2.112 60.156 58.000 0.073 0.000 1.248 279 F CB -0.564 38.457 39.000 0.035 0.000 0.999 279 F HN 0.302 nan 8.300 nan 0.000 0.475 280 D N 0.259 120.721 120.400 0.104 0.000 2.116 280 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 280 D C 2.173 178.442 176.300 -0.052 0.000 0.998 280 D CA 1.825 55.816 54.000 -0.015 0.000 0.836 280 D CB -0.228 40.596 40.800 0.040 0.000 0.951 280 D HN 0.293 nan 8.370 nan 0.000 0.449 281 K N -0.474 119.933 120.400 0.012 0.000 2.057 281 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 281 K C 2.037 178.626 176.600 -0.018 0.000 1.049 281 K CA 0.674 56.967 56.287 0.010 0.000 0.931 281 K CB -0.334 32.193 32.500 0.045 0.000 0.714 281 K HN 0.114 nan 8.250 nan 0.000 0.440 282 F N 2.799 122.647 119.950 -0.170 0.000 2.091 282 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 282 F C 1.815 177.393 175.800 -0.371 0.000 1.103 282 F CA 1.692 59.551 58.000 -0.235 0.000 1.228 282 F CB -0.105 38.740 39.000 -0.259 0.000 0.984 282 F HN -0.136 nan 8.300 nan 0.000 0.477 283 K N -0.256 119.754 120.400 -0.650 0.000 2.057 283 K HA -0.121 4.198 4.320 -0.000 0.000 0.207 283 K C 2.214 178.470 176.600 -0.573 0.000 1.049 283 K CA 1.622 57.348 56.287 -0.934 0.000 0.931 283 K CB -0.442 31.558 32.500 -0.835 0.000 0.714 283 K HN 0.178 nan 8.250 nan 0.000 0.440 284 S N 0.501 116.063 115.700 -0.229 0.000 2.399 284 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 284 S C 2.048 176.631 174.600 -0.027 0.000 1.022 284 S CA 1.368 59.554 58.200 -0.024 0.000 0.983 284 S CB -0.140 63.068 63.200 0.013 0.000 0.803 284 S HN 0.309 nan 8.310 nan 0.000 0.480 285 S N 0.620 116.238 115.700 -0.137 0.000 2.395 285 S HA 0.063 4.533 4.470 -0.000 0.000 0.225 285 S C 1.778 176.263 174.600 -0.193 0.000 1.027 285 S CA 1.047 59.174 58.200 -0.120 0.000 0.965 285 S CB -0.014 63.105 63.200 -0.135 0.000 0.812 285 S HN 0.509 nan 8.310 nan 0.000 0.482 286 K N -0.395 119.782 120.400 -0.372 0.000 2.306 286 K HA 0.316 4.636 4.320 -0.000 0.000 0.200 286 K C 2.071 178.511 176.600 -0.267 0.000 1.083 286 K CA 0.165 56.264 56.287 -0.315 0.000 0.959 286 K CB -0.194 32.048 32.500 -0.429 0.000 0.994 286 K HN 0.350 nan 8.250 nan 0.000 0.492 287 L N 0.118 120.988 121.223 -0.589 0.000 2.084 287 L HA 0.031 4.371 4.340 -0.000 0.000 0.202 287 L C 1.229 177.901 176.870 -0.330 0.000 1.074 287 L CA 1.066 55.529 54.840 -0.627 0.000 0.757 287 L CB 0.033 41.227 42.059 -1.442 0.000 0.918 287 L HN 0.255 nan 8.230 nan 0.000 0.444 288 Y N -2.122 118.144 120.300 -0.057 0.000 2.466 288 Y HA -0.040 4.510 4.550 -0.000 0.000 0.272 288 Y C 0.150 176.088 175.900 0.063 0.000 1.169 288 Y CA -0.696 57.445 58.100 0.068 0.000 1.285 288 Y CB 0.060 38.546 38.460 0.043 0.000 1.078 288 Y HN 0.139 nan 8.280 nan 0.000 0.523 289 Y N 0.749 121.086 120.300 0.062 0.000 2.393 289 Y HA 0.221 4.771 4.550 -0.000 0.000 0.338 289 Y C 0.248 176.224 175.900 0.127 0.000 1.029 289 Y CA -0.454 57.674 58.100 0.046 0.000 1.239 289 Y CB 0.135 38.588 38.460 -0.011 0.000 1.170 289 Y HN 0.253 nan 8.280 nan 0.000 0.515 290 F N 1.396 121.102 119.950 -0.408 0.000 2.303 290 F HA -0.329 4.198 4.527 -0.000 0.000 0.712 290 F C 1.844 177.404 175.800 -0.401 0.000 0.496 290 F CA 1.594 59.400 58.000 -0.324 0.000 1.377 290 F CB -1.254 37.672 39.000 -0.124 0.000 2.153 290 F HN 0.430 nan 8.300 nan 0.000 0.270 291 T N -1.387 113.113 114.554 -0.091 0.000 2.951 291 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 291 T C 1.377 175.925 174.700 -0.254 0.000 1.073 291 T CA 1.708 63.634 62.100 -0.290 0.000 1.134 291 T CB -0.329 68.255 68.868 -0.473 0.000 0.884 291 T HN 0.368 nan 8.240 nan 0.000 0.479 292 D N 1.458 121.827 120.400 -0.051 0.000 2.097 292 D HA 0.073 4.713 4.640 -0.000 0.000 0.197 292 D C 2.059 178.283 176.300 -0.126 0.000 0.984 292 D CA 0.728 54.754 54.000 0.043 0.000 0.826 292 D CB -0.322 40.481 40.800 0.005 0.000 0.973 292 D HN 0.403 nan 8.370 nan 0.000 0.460 293 I N 0.823 121.213 120.570 -0.299 0.000 2.226 293 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 293 I C 2.220 178.180 176.117 -0.262 0.000 1.100 293 I CA 0.851 61.950 61.300 -0.336 0.000 1.374 293 I CB -0.214 37.470 38.000 -0.526 0.000 1.057 293 I HN -0.031 nan 8.210 nan 0.000 0.413 294 V N -1.936 117.823 119.914 -0.258 0.000 3.444 294 V HA -0.033 4.087 4.120 -0.000 0.000 0.271 294 V C 1.840 177.840 176.094 -0.156 0.000 1.188 294 V CA 1.467 63.660 62.300 -0.178 0.000 1.168 294 V CB -0.783 30.950 31.823 -0.150 0.000 0.810 294 V HN 0.515 nan 8.190 nan 0.000 0.500 295 S N -0.029 115.584 115.700 -0.145 0.000 3.039 295 S HA 0.208 4.677 4.470 -0.000 0.000 0.251 295 S C 1.717 176.306 174.600 -0.019 0.000 1.064 295 S CA 0.116 58.264 58.200 -0.087 0.000 0.822 295 S CB -0.119 63.028 63.200 -0.088 0.000 0.802 295 S HN 0.501 nan 8.310 nan 0.000 0.519 296 K N 1.129 121.532 120.400 0.005 0.000 2.323 296 K HA 0.377 4.697 4.320 -0.000 0.000 0.197 296 K C 1.160 177.818 176.600 0.097 0.000 1.043 296 K CA 0.528 56.852 56.287 0.062 0.000 0.997 296 K CB 0.022 32.554 32.500 0.054 0.000 0.807 296 K HN 0.596 nan 8.250 nan 0.000 0.497 297 G N 1.926 110.694 108.800 -0.053 0.000 2.136 297 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 297 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 297 G C -0.022 174.801 174.900 -0.128 0.000 0.989 297 G CA 0.375 45.360 45.100 -0.192 0.000 0.682 297 G HN 0.456 nan 8.290 nan 0.000 0.522 298 S N -2.058 113.600 115.700 -0.069 0.000 2.636 298 S HA 0.906 5.376 4.470 -0.000 0.000 0.266 298 S C -0.418 174.133 174.600 -0.082 0.000 1.147 298 S CA 0.635 58.804 58.200 -0.051 0.000 0.815 298 S CB 1.824 65.058 63.200 0.057 0.000 1.119 298 S HN 1.954 nan 8.310 nan 0.000 0.470 299 S N -0.292 115.381 115.700 -0.046 0.000 2.903 299 S HA 0.790 5.260 4.470 -0.000 0.000 0.314 299 S C -0.524 174.101 174.600 0.041 0.000 1.177 299 S CA -0.755 57.438 58.200 -0.012 0.000 0.859 299 S CB -0.528 62.679 63.200 0.011 0.000 1.265 299 S HN 1.647 nan 8.310 nan 0.000 0.584 300 I N 0.074 120.685 120.570 0.069 0.000 2.752 300 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 300 I C 0.609 176.751 176.117 0.043 0.000 1.188 300 I CA -0.638 60.689 61.300 0.046 0.000 1.427 300 I CB -1.239 36.785 38.000 0.041 0.000 1.365 300 I HN 0.724 nan 8.210 nan 0.000 0.585 301 I N 3.722 124.306 120.570 0.024 0.000 3.704 301 I HA -0.325 3.844 4.170 -0.000 0.000 0.126 301 I C 0.221 176.351 176.117 0.023 0.000 1.017 301 I CA 0.769 62.080 61.300 0.018 0.000 2.740 301 I CB -1.296 36.712 38.000 0.014 0.000 1.302 301 I HN 0.911 nan 8.210 nan 0.000 0.342 302 N N 3.299 122.013 118.700 0.025 0.000 3.506 302 N HA 0.062 4.802 4.740 -0.000 0.000 0.174 302 N C 0.552 176.078 175.510 0.026 0.000 1.488 302 N CA 0.382 53.448 53.050 0.027 0.000 0.834 302 N CB 0.518 39.032 38.487 0.045 0.000 1.677 302 N HN 0.184 nan 8.380 nan 0.000 0.654 303 V N -0.484 119.442 119.914 0.021 0.000 2.277 303 V HA -0.206 3.914 4.120 -0.000 0.000 0.255 303 V C 0.820 176.944 176.094 0.049 0.000 1.074 303 V CA 1.416 63.732 62.300 0.027 0.000 1.058 303 V CB -0.848 30.985 31.823 0.018 0.000 0.656 303 V HN 0.476 nan 8.190 nan 0.000 0.449 304 E N 0.971 121.194 120.200 0.038 0.000 3.495 304 E HA -0.171 4.179 4.350 -0.000 0.000 0.272 304 E C -0.661 175.986 176.600 0.077 0.000 0.845 304 E CA 1.125 57.548 56.400 0.039 0.000 0.974 304 E CB -0.305 29.397 29.700 0.004 0.000 0.919 304 E HN 0.836 nan 8.360 nan 0.000 0.556 305 Y N 3.408 123.685 120.300 -0.039 0.000 2.332 305 Y HA 0.299 4.848 4.550 -0.000 0.000 0.326 305 Y C -0.481 175.391 175.900 -0.047 0.000 0.978 305 Y CA -0.780 57.292 58.100 -0.046 0.000 1.205 305 Y CB 0.887 39.324 38.460 -0.039 0.000 1.131 305 Y HN 0.270 nan 8.280 nan 0.000 0.462 306 R N 5.835 125.937 120.500 -0.663 0.000 2.215 306 R HA 0.287 4.627 4.340 -0.000 0.000 0.336 306 R C 1.184 177.017 176.300 -0.779 0.000 0.996 306 R CA -0.571 55.186 56.100 -0.571 0.000 0.847 306 R CB 1.156 31.270 30.300 -0.311 0.000 1.127 306 R HN 0.849 nan 8.270 nan 0.000 0.465 307 R N 2.440 122.543 120.500 -0.661 0.000 2.115 307 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 307 R C 1.040 177.208 176.300 -0.220 0.000 1.111 307 R CA 2.022 57.885 56.100 -0.395 0.000 0.976 307 R CB 0.146 30.390 30.300 -0.094 0.000 0.870 307 R HN 0.665 nan 8.270 nan 0.000 0.445 308 D N -0.080 120.209 120.400 -0.185 0.000 2.371 308 D HA -0.130 4.510 4.640 -0.000 0.000 0.221 308 D C 1.527 177.735 176.300 -0.153 0.000 0.986 308 D CA 0.648 54.577 54.000 -0.119 0.000 0.899 308 D CB 0.145 40.902 40.800 -0.072 0.000 0.902 308 D HN 0.400 nan 8.370 nan 0.000 0.530 309 L N -0.156 120.939 121.223 -0.213 0.000 2.577 309 L HA 0.320 4.660 4.340 -0.000 0.000 0.225 309 L C 1.497 178.235 176.870 -0.219 0.000 1.053 309 L CA -0.114 54.601 54.840 -0.209 0.000 0.866 309 L CB -0.044 41.878 42.059 -0.229 0.000 1.132 309 L HN -0.073 nan 8.230 nan 0.000 0.486 310 A N 0.226 122.902 122.820 -0.239 0.000 2.386 310 A HA 0.169 4.489 4.320 -0.000 0.000 0.246 310 A C 0.578 178.072 177.584 -0.150 0.000 1.089 310 A CA -0.061 51.878 52.037 -0.163 0.000 0.790 310 A CB -0.052 18.889 19.000 -0.098 0.000 1.042 310 A HN 0.542 nan 8.150 nan 0.000 0.497 311 N N -0.544 118.094 118.700 -0.104 0.000 2.740 311 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 311 N C -0.390 174.939 175.510 -0.301 0.000 1.062 311 N CA 1.311 54.294 53.050 -0.111 0.000 0.704 311 N CB -0.704 37.757 38.487 -0.044 0.000 0.968 311 N HN 0.684 nan 8.380 nan 0.000 0.547 312 R N 0.164 120.426 120.500 -0.397 0.000 2.772 312 R HA 0.312 4.652 4.340 -0.000 0.000 0.358 312 R C -0.533 175.613 176.300 -0.256 0.000 1.143 312 R CA -0.394 55.168 56.100 -0.897 0.000 1.153 312 R CB 0.695 30.451 30.300 -0.907 0.000 1.329 312 R HN 0.049 nan 8.270 nan 0.000 0.615 313 L N 0.741 121.930 121.223 -0.056 0.000 2.492 313 L HA 0.302 4.642 4.340 -0.000 0.000 0.259 313 L C -0.143 176.804 176.870 0.129 0.000 1.229 313 L CA -0.107 54.758 54.840 0.041 0.000 0.903 313 L CB 1.162 43.161 42.059 -0.099 0.000 1.114 313 L HN 0.016 nan 8.230 nan 0.000 0.494 314 D N 2.311 122.884 120.400 0.288 0.000 2.178 314 D HA -0.028 4.612 4.640 -0.000 0.000 0.202 314 D C -0.015 176.520 176.300 0.391 0.000 0.974 314 D CA 1.365 55.572 54.000 0.345 0.000 0.841 314 D CB 0.193 41.257 40.800 0.441 0.000 0.953 314 D HN 0.552 nan 8.370 nan 0.000 0.478 315 W N -0.458 120.934 121.300 0.152 0.000 3.137 315 W HA 0.565 5.225 4.660 -0.000 0.000 0.324 315 W C -2.024 174.562 176.519 0.112 0.000 1.253 315 W CA -1.044 56.374 57.345 0.121 0.000 1.183 315 W CB 0.742 30.267 29.460 0.110 0.000 1.424 315 W HN -0.339 nan 8.180 nan 0.000 0.566 316 L N 2.687 123.998 121.223 0.147 0.000 2.349 316 L HA 0.655 4.995 4.340 -0.000 0.000 0.278 316 L C 0.359 177.308 176.870 0.130 0.000 0.996 316 L CA -0.400 54.407 54.840 -0.054 0.000 0.825 316 L CB 1.555 43.630 42.059 0.027 0.000 1.243 316 L HN 0.747 nan 8.230 nan 0.000 0.412 317 G N 4.147 112.904 108.800 -0.072 0.000 2.339 317 G HA2 0.470 4.429 3.960 -0.000 0.000 0.287 317 G HA3 0.470 4.429 3.960 -0.000 0.000 0.287 317 G C -0.746 174.330 174.900 0.294 0.000 1.163 317 G CA -0.266 44.971 45.100 0.228 0.000 0.872 317 G HN 0.373 nan 8.290 nan 0.000 0.464 318 V N 3.625 123.735 119.914 0.327 0.000 2.347 318 V HA 0.235 4.355 4.120 -0.000 0.000 0.280 318 V C -0.571 175.727 176.094 0.339 0.000 1.021 318 V CA -1.179 61.360 62.300 0.399 0.000 0.847 318 V CB 1.156 33.152 31.823 0.287 0.000 0.990 318 V HN 0.624 nan 8.190 nan 0.000 0.444 319 N N 4.034 122.953 118.700 0.365 0.000 2.457 319 N HA 0.398 5.138 4.740 -0.000 0.000 0.250 319 N C -1.120 174.587 175.510 0.328 0.000 0.982 319 N CA -0.272 52.919 53.050 0.235 0.000 0.941 319 N CB 1.076 39.670 38.487 0.178 0.000 1.120 319 N HN 0.716 nan 8.380 nan 0.000 0.505 320 Y N 2.211 122.531 120.300 0.033 0.000 2.376 320 Y HA 0.374 4.924 4.550 -0.000 0.000 0.340 320 Y C -0.666 175.167 175.900 -0.111 0.000 0.965 320 Y CA -0.580 57.607 58.100 0.145 0.000 1.078 320 Y CB 0.823 39.435 38.460 0.253 0.000 1.193 320 Y HN 0.520 nan 8.280 nan 0.000 0.452 321 Y N 1.747 121.798 120.300 -0.415 0.000 2.731 321 Y HA 0.358 4.907 4.550 -0.000 0.000 0.269 321 Y C 0.973 176.575 175.900 -0.497 0.000 1.156 321 Y CA 0.618 58.594 58.100 -0.207 0.000 1.191 321 Y CB 0.858 39.371 38.460 0.087 0.000 1.382 321 Y HN 0.554 nan 8.280 nan 0.000 0.477 322 S N -0.831 114.526 115.700 -0.571 0.000 2.815 322 S HA 0.598 5.068 4.470 -0.000 0.000 0.296 322 S C -1.581 173.168 174.600 0.248 0.000 1.224 322 S CA -0.900 57.094 58.200 -0.343 0.000 0.938 322 S CB 0.904 63.605 63.200 -0.833 0.000 1.285 322 S HN 0.246 nan 8.310 nan 0.000 0.549 323 R N 0.216 120.920 120.500 0.341 0.000 3.006 323 R HA 0.868 5.208 4.340 -0.000 0.000 0.235 323 R C -1.453 175.051 176.300 0.340 0.000 1.362 323 R CA -0.971 55.439 56.100 0.518 0.000 1.067 323 R CB 0.536 31.128 30.300 0.486 0.000 1.396 323 R HN 0.488 nan 8.270 nan 0.000 0.504 324 L N 0.954 122.284 121.223 0.177 0.000 2.438 324 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 324 L C -1.230 175.590 176.870 -0.084 0.000 0.972 324 L CA -1.185 53.612 54.840 -0.072 0.000 0.831 324 L CB 2.576 44.444 42.059 -0.319 0.000 1.273 324 L HN 0.388 nan 8.230 nan 0.000 0.405 325 V N 2.769 122.552 119.914 -0.219 0.000 2.495 325 V HA 0.509 4.629 4.120 -0.000 0.000 0.298 325 V C -0.892 175.006 176.094 -0.327 0.000 1.031 325 V CA -0.588 61.582 62.300 -0.216 0.000 0.871 325 V CB 1.728 33.272 31.823 -0.465 0.000 0.988 325 V HN 0.427 nan 8.190 nan 0.000 0.432 326 Y N 2.873 123.069 120.300 -0.173 0.000 2.650 326 Y HA 0.752 5.302 4.550 -0.000 0.000 0.331 326 Y C 0.298 176.069 175.900 -0.214 0.000 1.082 326 Y CA -1.156 56.853 58.100 -0.151 0.000 1.171 326 Y CB 1.718 40.139 38.460 -0.066 0.000 1.326 326 Y HN 0.614 nan 8.280 nan 0.000 0.513 327 K N 0.358 120.764 120.400 0.009 0.000 2.482 327 K HA 0.778 5.098 4.320 -0.000 0.000 0.257 327 K C -1.326 175.246 176.600 -0.047 0.000 0.969 327 K CA -0.860 55.396 56.287 -0.052 0.000 0.842 327 K CB 2.483 34.962 32.500 -0.035 0.000 1.359 327 K HN 0.705 nan 8.250 nan 0.000 0.441 328 I N 0.261 120.796 120.570 -0.059 0.000 8.987 328 I HA -0.336 3.833 4.170 -0.000 0.000 0.126 328 I C 0.450 176.530 176.117 -0.061 0.000 1.864 328 I CA -0.105 61.166 61.300 -0.048 0.000 2.042 328 I CB -0.444 37.538 38.000 -0.030 0.000 3.930 328 I HN 0.601 nan 8.210 nan 0.000 0.170 329 V N 2.758 122.647 119.914 -0.042 0.000 2.607 329 V HA -0.016 4.103 4.120 -0.000 0.000 0.228 329 V C 1.253 177.333 176.094 -0.022 0.000 1.106 329 V CA 1.797 64.079 62.300 -0.030 0.000 1.141 329 V CB -0.399 31.416 31.823 -0.014 0.000 0.808 329 V HN 1.083 nan 8.190 nan 0.000 0.501 330 D N 0.328 120.721 120.400 -0.012 0.000 4.304 330 D HA -0.277 4.362 4.640 -0.000 0.000 0.242 330 D C 0.727 177.026 176.300 -0.002 0.000 0.625 330 D CA 2.328 56.325 54.000 -0.006 0.000 0.997 330 D CB -0.717 40.077 40.800 -0.009 0.000 0.459 330 D HN 0.591 nan 8.370 nan 0.000 0.378 331 D N -0.706 119.691 120.400 -0.005 0.000 2.475 331 D HA 0.113 4.752 4.640 -0.000 0.000 0.306 331 D C -0.538 175.757 176.300 -0.007 0.000 1.304 331 D CA -0.019 53.983 54.000 0.004 0.000 0.862 331 D CB 0.743 41.549 40.800 0.011 0.000 1.306 331 D HN 0.227 nan 8.370 nan 0.000 0.494 332 K N 1.731 122.111 120.400 -0.033 0.000 2.756 332 K HA 0.350 4.669 4.320 -0.000 0.000 0.218 332 K C -2.967 173.569 176.600 -0.108 0.000 1.057 332 K CA -1.246 55.008 56.287 -0.055 0.000 1.056 332 K CB 2.579 35.075 32.500 -0.007 0.000 1.235 332 K HN -0.193 nan 8.250 nan 0.000 0.547 333 P HA 0.151 nan 4.420 nan 0.000 0.271 333 P C -0.494 176.782 177.300 -0.041 0.000 1.218 333 P CA -0.016 62.949 63.100 -0.226 0.000 0.780 333 P CB 0.759 32.151 31.700 -0.513 0.000 0.901 334 I N 3.019 123.647 120.570 0.096 0.000 2.569 334 I HA 0.362 4.532 4.170 -0.000 0.000 0.296 334 I C 0.613 176.738 176.117 0.015 0.000 1.028 334 I CA -1.359 60.012 61.300 0.118 0.000 1.082 334 I CB 1.605 39.631 38.000 0.044 0.000 1.264 334 I HN 0.246 nan 8.210 nan 0.000 0.429 335 I N 3.766 124.235 120.570 -0.168 0.000 2.556 335 I HA 0.221 4.391 4.170 -0.000 0.000 0.284 335 I C -0.715 175.304 176.117 -0.165 0.000 1.114 335 I CA -0.070 60.942 61.300 -0.479 0.000 1.418 335 I CB 0.219 37.925 38.000 -0.490 0.000 1.394 335 I HN 0.377 nan 8.210 nan 0.000 0.552 336 L N 6.551 127.675 121.223 -0.164 0.000 2.255 336 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 336 L C 0.147 177.098 176.870 0.134 0.000 1.046 336 L CA -0.511 54.366 54.840 0.061 0.000 0.816 336 L CB 0.219 42.342 42.059 0.106 0.000 1.197 336 L HN 0.621 nan 8.230 nan 0.000 0.427 337 H N 1.746 120.823 119.070 0.012 0.000 2.745 337 H HA 0.264 4.820 4.556 -0.000 0.000 0.373 337 H C 1.208 176.537 175.328 0.002 0.000 1.226 337 H CA 0.809 56.860 56.048 0.005 0.000 1.435 337 H CB 0.781 30.535 29.762 -0.014 0.000 1.461 337 H HN 0.771 nan 8.280 nan 0.000 0.616 338 G N -0.532 108.299 108.800 0.051 0.000 2.176 338 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 338 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 338 G C -0.476 174.253 174.900 -0.285 0.000 0.979 338 G CA 0.127 45.155 45.100 -0.119 0.000 0.641 338 G HN 0.510 nan 8.290 nan 0.000 0.530 339 Y N -0.077 120.208 120.300 -0.025 0.000 2.524 339 Y HA 0.549 5.099 4.550 -0.000 0.000 0.344 339 Y C 1.430 177.298 175.900 -0.053 0.000 1.012 339 Y CA 0.398 58.469 58.100 -0.048 0.000 1.068 339 Y CB 1.574 39.987 38.460 -0.078 0.000 1.249 339 Y HN 0.949 nan 8.280 nan 0.000 0.468 340 G N 1.595 110.476 108.800 0.135 0.000 2.685 340 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.329 340 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.329 340 G C 0.743 175.609 174.900 -0.057 0.000 1.271 340 G CA 1.152 46.270 45.100 0.031 0.000 1.003 340 G HN 0.598 nan 8.290 nan 0.000 0.549 341 F N 0.956 120.824 119.950 -0.137 0.000 2.604 341 F HA 0.305 4.831 4.527 -0.000 0.000 0.298 341 F C 2.176 177.945 175.800 -0.052 0.000 1.131 341 F CA 0.785 58.632 58.000 -0.255 0.000 1.457 341 F CB 0.000 38.634 39.000 -0.611 0.000 1.095 341 F HN 0.113 nan 8.300 nan 0.000 0.574 342 L N -0.763 120.496 121.223 0.060 0.000 2.851 342 L HA 0.163 4.503 4.340 -0.000 0.000 0.237 342 L C 0.049 176.950 176.870 0.051 0.000 1.257 342 L CA -0.391 54.437 54.840 -0.021 0.000 1.061 342 L CB -0.763 41.121 42.059 -0.292 0.000 1.372 342 L HN 0.109 nan 8.230 nan 0.000 0.493 343 C N -0.464 118.901 119.300 0.108 0.000 2.352 343 C HA 0.563 5.023 4.460 -0.000 0.000 0.387 343 C C 1.252 176.306 174.990 0.107 0.000 1.294 343 C CA -0.521 58.547 59.018 0.083 0.000 2.137 343 C CB 1.524 29.309 27.740 0.076 0.000 2.146 343 C HN 0.533 nan 8.230 nan 0.000 0.559 344 T N -0.638 113.959 114.554 0.072 0.000 2.907 344 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 344 T C -2.924 171.808 174.700 0.054 0.000 1.004 344 T CA -1.596 60.543 62.100 0.064 0.000 1.063 344 T CB 0.827 69.719 68.868 0.039 0.000 0.992 344 T HN 0.394 nan 8.240 nan 0.000 0.483 345 P HA 0.216 nan 4.420 nan 0.000 0.260 345 P C 1.172 178.472 177.300 -0.000 0.000 1.185 345 P CA 1.253 64.356 63.100 0.004 0.000 0.763 345 P CB -0.009 31.679 31.700 -0.021 0.000 0.776 346 G N 2.498 111.298 108.800 -0.001 0.000 2.189 346 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.267 346 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.267 346 G C 0.757 175.668 174.900 0.019 0.000 0.975 346 G CA 0.066 45.169 45.100 0.005 0.000 0.644 346 G HN 0.834 nan 8.290 nan 0.000 0.537 347 G N -0.705 108.109 108.800 0.024 0.000 2.489 347 G HA2 0.598 4.558 3.960 -0.000 0.000 0.271 347 G HA3 0.598 4.558 3.960 -0.000 0.000 0.271 347 G C -0.026 174.892 174.900 0.030 0.000 1.427 347 G CA -0.225 44.888 45.100 0.023 0.000 1.057 347 G HN 0.802 nan 8.290 nan 0.000 0.532 348 I N -0.076 120.505 120.570 0.019 0.000 2.619 348 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 348 I C 0.270 176.379 176.117 -0.012 0.000 1.100 348 I CA -0.725 60.587 61.300 0.021 0.000 1.043 348 I CB 2.424 40.438 38.000 0.022 0.000 1.239 348 I HN 0.598 nan 8.210 nan 0.000 0.420 349 S N 4.237 119.929 115.700 -0.014 0.000 2.614 349 S HA 0.359 4.829 4.470 -0.000 0.000 0.265 349 S C -2.054 172.472 174.600 -0.124 0.000 1.303 349 S CA -1.035 57.103 58.200 -0.104 0.000 1.000 349 S CB 0.972 64.131 63.200 -0.068 0.000 0.935 349 S HN 0.421 nan 8.310 nan 0.000 0.551 350 P HA 0.062 nan 4.420 nan 0.000 0.229 350 P C 0.489 177.788 177.300 -0.001 0.000 1.150 350 P CA 1.170 64.171 63.100 -0.166 0.000 0.765 350 P CB -0.113 31.391 31.700 -0.326 0.000 0.783 351 A N -0.777 122.071 122.820 0.047 0.000 2.500 351 A HA 0.170 4.489 4.320 -0.000 0.000 0.267 351 A C 0.531 178.180 177.584 0.107 0.000 1.290 351 A CA -0.133 51.982 52.037 0.130 0.000 0.928 351 A CB -0.634 18.494 19.000 0.212 0.000 1.066 351 A HN 0.069 nan 8.150 nan 0.000 0.516 352 E N -0.304 119.937 120.200 0.068 0.000 3.070 352 E HA -0.159 4.190 4.350 -0.000 0.000 0.285 352 E C -0.734 175.920 176.600 0.091 0.000 0.972 352 E CA 0.443 56.884 56.400 0.069 0.000 0.915 352 E CB -1.483 28.260 29.700 0.072 0.000 1.466 352 E HN 0.698 nan 8.360 nan 0.000 0.432 353 N N 1.483 120.247 118.700 0.106 0.000 2.456 353 N HA 0.259 4.999 4.740 -0.000 0.000 0.288 353 N C -2.300 173.284 175.510 0.122 0.000 1.059 353 N CA -1.445 51.689 53.050 0.140 0.000 0.946 353 N CB 1.116 39.722 38.487 0.199 0.000 1.150 353 N HN -0.042 nan 8.380 nan 0.000 0.479 354 P HA 0.150 nan 4.420 nan 0.000 0.272 354 P C -0.509 176.876 177.300 0.143 0.000 1.223 354 P CA -0.188 62.986 63.100 0.122 0.000 0.784 354 P CB 0.766 32.544 31.700 0.130 0.000 0.923 355 C N 1.662 121.028 119.300 0.109 0.000 2.417 355 C HA 0.447 4.907 4.460 -0.000 0.000 0.324 355 C C 1.287 176.323 174.990 0.077 0.000 1.240 355 C CA -0.163 58.923 59.018 0.115 0.000 1.632 355 C CB 1.170 28.966 27.740 0.092 0.000 2.241 355 C HN 0.701 nan 8.230 nan 0.000 0.499 356 S N 1.476 117.218 115.700 0.069 0.000 2.617 356 S HA 0.078 4.548 4.470 -0.000 0.000 0.255 356 S C 0.617 175.157 174.600 -0.099 0.000 1.318 356 S CA 0.151 58.326 58.200 -0.042 0.000 0.978 356 S CB 0.388 63.517 63.200 -0.118 0.000 0.961 356 S HN 0.709 nan 8.310 nan 0.000 0.582 357 D N -0.250 120.038 120.400 -0.187 0.000 2.263 357 D HA 0.000 4.640 4.640 -0.000 0.000 0.208 357 D C 1.006 177.162 176.300 -0.241 0.000 0.971 357 D CA 0.883 54.760 54.000 -0.205 0.000 0.867 357 D CB -0.365 40.276 40.800 -0.265 0.000 0.929 357 D HN 0.537 nan 8.370 nan 0.000 0.492 358 F N 0.121 119.785 119.950 -0.477 0.000 2.789 358 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 358 F C 1.684 177.252 175.800 -0.386 0.000 1.132 358 F CA 0.448 58.066 58.000 -0.636 0.000 1.404 358 F CB 0.177 38.248 39.000 -1.549 0.000 1.114 358 F HN 0.053 nan 8.300 nan 0.000 0.584 359 G N -0.429 108.373 108.800 0.004 0.000 2.171 359 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.238 359 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.238 359 G C -0.463 174.641 174.900 0.340 0.000 1.039 359 G CA -0.196 44.995 45.100 0.153 0.000 0.759 359 G HN 0.132 nan 8.290 nan 0.000 0.501 360 W N 0.880 122.198 121.300 0.030 0.000 2.429 360 W HA 0.603 5.262 4.660 -0.000 0.000 0.314 360 W C 0.440 176.933 176.519 -0.044 0.000 1.062 360 W CA -2.337 54.937 57.345 -0.119 0.000 1.211 360 W CB 0.687 29.979 29.460 -0.279 0.000 1.305 360 W HN 0.389 nan 8.180 nan 0.000 0.476 361 E N 1.961 122.260 120.200 0.165 0.000 2.376 361 E HA 0.202 4.551 4.350 -0.000 0.000 0.266 361 E C -0.613 176.158 176.600 0.287 0.000 1.009 361 E CA -0.132 56.379 56.400 0.185 0.000 0.902 361 E CB 0.952 30.732 29.700 0.133 0.000 0.972 361 E HN 0.179 nan 8.360 nan 0.000 0.439 362 V N 6.116 126.240 119.914 0.351 0.000 2.446 362 V HA -0.031 4.089 4.120 -0.000 0.000 0.276 362 V C -0.494 175.869 176.094 0.450 0.000 1.030 362 V CA 0.308 62.887 62.300 0.465 0.000 1.033 362 V CB -0.172 31.915 31.823 0.439 0.000 0.993 362 V HN 0.621 nan 8.190 nan 0.000 0.477 363 Y N 8.464 128.941 120.300 0.296 0.000 2.516 363 Y HA 0.365 4.915 4.550 -0.000 0.000 0.329 363 Y C -1.765 174.280 175.900 0.242 0.000 1.095 363 Y CA -2.221 56.034 58.100 0.258 0.000 1.213 363 Y CB 1.489 40.142 38.460 0.321 0.000 1.109 363 Y HN 0.513 nan 8.280 nan 0.000 0.630 364 P HA -0.224 nan 4.420 nan 0.000 0.217 364 P C 1.110 178.152 177.300 -0.430 0.000 1.148 364 P CA 1.512 64.224 63.100 -0.647 0.000 0.828 364 P CB 0.584 31.845 31.700 -0.730 0.000 0.783 365 E N -0.025 119.863 120.200 -0.519 0.000 2.160 365 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 365 E C 2.323 178.589 176.600 -0.556 0.000 0.991 365 E CA 1.418 57.528 56.400 -0.483 0.000 0.810 365 E CB -1.021 28.374 29.700 -0.508 0.000 0.742 365 E HN 0.316 nan 8.360 nan 0.000 0.466 366 G N 1.282 109.664 108.800 -0.696 0.000 2.442 366 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.219 366 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.219 366 G C 1.601 176.003 174.900 -0.830 0.000 1.141 366 G CA 0.796 45.567 45.100 -0.549 0.000 0.763 366 G HN 0.257 nan 8.290 nan 0.000 0.554 367 L N -0.463 120.266 121.223 -0.824 0.000 2.046 367 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 367 L C 2.467 179.092 176.870 -0.409 0.000 1.077 367 L CA 1.681 56.070 54.840 -0.752 0.000 0.747 367 L CB -0.883 41.028 42.059 -0.246 0.000 0.896 367 L HN 0.350 nan 8.230 nan 0.000 0.432 368 Y N -0.071 119.968 120.300 -0.435 0.000 2.097 368 Y HA -0.257 4.292 4.550 -0.000 0.000 0.282 368 Y C 2.223 177.876 175.900 -0.411 0.000 1.152 368 Y CA 2.186 60.072 58.100 -0.355 0.000 1.136 368 Y CB -0.574 37.687 38.460 -0.333 0.000 0.975 368 Y HN 0.194 nan 8.280 nan 0.000 0.498 369 L N -0.292 120.457 121.223 -0.790 0.000 2.083 369 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 369 L C 2.665 178.951 176.870 -0.973 0.000 1.083 369 L CA 1.243 55.470 54.840 -1.022 0.000 0.752 369 L CB -0.681 40.588 42.059 -1.317 0.000 0.899 369 L HN 0.362 nan 8.230 nan 0.000 0.433 370 L N -0.167 120.522 121.223 -0.889 0.000 2.017 370 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 370 L C 2.545 179.311 176.870 -0.174 0.000 1.073 370 L CA 1.444 56.128 54.840 -0.260 0.000 0.745 370 L CB -0.079 41.905 42.059 -0.124 0.000 0.894 370 L HN 0.258 nan 8.230 nan 0.000 0.432 371 L N -0.297 120.776 121.223 -0.250 0.000 2.017 371 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 371 L C 2.649 179.436 176.870 -0.138 0.000 1.073 371 L CA 1.497 56.246 54.840 -0.151 0.000 0.745 371 L CB -0.521 41.464 42.059 -0.123 0.000 0.894 371 L HN 0.221 nan 8.230 nan 0.000 0.432 372 K N 0.011 120.249 120.400 -0.270 0.000 2.002 372 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 372 K C 2.083 178.634 176.600 -0.081 0.000 1.048 372 K CA 1.769 57.939 56.287 -0.195 0.000 0.930 372 K CB -0.180 32.103 32.500 -0.362 0.000 0.714 372 K HN 0.272 nan 8.250 nan 0.000 0.438 373 E N 1.132 121.286 120.200 -0.077 0.000 2.085 373 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 373 E C 1.976 178.494 176.600 -0.136 0.000 0.994 373 E CA 0.943 57.331 56.400 -0.020 0.000 0.801 373 E CB 0.004 29.834 29.700 0.216 0.000 0.743 373 E HN 0.209 nan 8.360 nan 0.000 0.453 374 L N -0.131 121.033 121.223 -0.099 0.000 2.046 374 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 374 L C 2.546 179.397 176.870 -0.031 0.000 1.077 374 L CA 1.309 56.081 54.840 -0.113 0.000 0.747 374 L CB -0.587 41.432 42.059 -0.067 0.000 0.896 374 L HN 0.290 nan 8.230 nan 0.000 0.432 375 Y N 1.385 121.630 120.300 -0.092 0.000 2.181 375 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 375 Y C 2.506 178.347 175.900 -0.098 0.000 1.146 375 Y CA 1.485 59.552 58.100 -0.055 0.000 1.164 375 Y CB -0.289 38.141 38.460 -0.050 0.000 0.982 375 Y HN 0.216 nan 8.280 nan 0.000 0.515 376 N N 0.217 118.798 118.700 -0.199 0.000 2.244 376 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 376 N C 1.999 177.290 175.510 -0.365 0.000 1.016 376 N CA 1.221 54.098 53.050 -0.289 0.000 0.866 376 N CB -0.390 38.001 38.487 -0.160 0.000 0.980 376 N HN 0.429 nan 8.380 nan 0.000 0.430 377 R N -0.494 119.728 120.500 -0.462 0.000 2.062 377 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 377 R C 1.075 176.927 176.300 -0.748 0.000 1.125 377 R CA 1.180 56.847 56.100 -0.721 0.000 0.966 377 R CB 0.082 29.683 30.300 -1.166 0.000 0.861 377 R HN 0.196 nan 8.270 nan 0.000 0.433 378 Y N -1.658 118.506 120.300 -0.227 0.000 2.535 378 Y HA 0.347 4.897 4.550 -0.000 0.000 0.266 378 Y C 1.480 177.274 175.900 -0.177 0.000 1.088 378 Y CA 0.266 58.266 58.100 -0.167 0.000 1.285 378 Y CB 0.353 38.747 38.460 -0.110 0.000 1.166 378 Y HN 0.312 nan 8.280 nan 0.000 0.525 379 G N 0.829 109.510 108.800 -0.198 0.000 2.166 379 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 379 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 379 G C 0.054 174.998 174.900 0.073 0.000 0.986 379 G CA 0.503 45.368 45.100 -0.390 0.000 0.683 379 G HN 0.186 nan 8.290 nan 0.000 0.527 380 V N 0.255 120.292 119.914 0.205 0.000 2.837 380 V HA 0.435 4.555 4.120 -0.000 0.000 0.310 380 V C 0.610 176.889 176.094 0.309 0.000 1.059 380 V CA -0.845 61.600 62.300 0.243 0.000 1.004 380 V CB 1.456 33.386 31.823 0.179 0.000 1.045 380 V HN 0.226 nan 8.190 nan 0.000 0.465 381 D N 2.192 122.757 120.400 0.275 0.000 2.443 381 D HA 0.346 4.986 4.640 -0.000 0.000 0.239 381 D C -0.387 176.084 176.300 0.286 0.000 1.136 381 D CA 0.578 54.725 54.000 0.245 0.000 0.879 381 D CB 0.451 41.380 40.800 0.215 0.000 1.195 381 D HN 0.264 nan 8.370 nan 0.000 0.443 382 L N 2.308 123.667 121.223 0.226 0.000 2.354 382 L HA 0.600 4.940 4.340 -0.000 0.000 0.269 382 L C -0.240 176.765 176.870 0.225 0.000 1.005 382 L CA -0.836 54.151 54.840 0.246 0.000 0.819 382 L CB 1.686 43.850 42.059 0.175 0.000 1.311 382 L HN 0.172 nan 8.230 nan 0.000 0.423 383 I N 1.946 122.689 120.570 0.289 0.000 2.548 383 I HA 0.210 4.379 4.170 -0.000 0.000 0.287 383 I C -0.520 175.728 176.117 0.219 0.000 1.103 383 I CA -0.758 60.660 61.300 0.198 0.000 1.049 383 I CB 2.543 40.635 38.000 0.154 0.000 1.232 383 I HN 0.165 nan 8.210 nan 0.000 0.429 384 V N 5.406 125.417 119.914 0.162 0.000 2.377 384 V HA -0.020 4.100 4.120 -0.000 0.000 0.254 384 V C 1.471 177.608 176.094 0.071 0.000 1.060 384 V CA 0.491 62.885 62.300 0.156 0.000 1.068 384 V CB 0.224 32.166 31.823 0.199 0.000 1.113 384 V HN 0.956 nan 8.190 nan 0.000 0.484 385 T N 1.050 115.692 114.554 0.147 0.000 3.088 385 T HA 0.171 4.521 4.350 -0.000 0.000 0.259 385 T C 0.445 175.218 174.700 0.122 0.000 1.122 385 T CA 0.291 62.476 62.100 0.141 0.000 1.095 385 T CB 0.242 69.253 68.868 0.237 0.000 0.930 385 T HN 0.650 nan 8.240 nan 0.000 0.508 386 E N 0.463 120.711 120.200 0.081 0.000 2.347 386 E HA 0.534 4.884 4.350 -0.000 0.000 0.285 386 E C -1.722 174.788 176.600 -0.150 0.000 0.925 386 E CA -0.780 55.661 56.400 0.068 0.000 0.779 386 E CB 1.746 31.533 29.700 0.145 0.000 1.233 386 E HN 0.208 nan 8.360 nan 0.000 0.414 387 N N 1.404 119.995 118.700 -0.183 0.000 2.718 387 N HA 0.528 5.268 4.740 -0.000 0.000 0.260 387 N C -1.402 174.070 175.510 -0.062 0.000 1.089 387 N CA -0.116 52.820 53.050 -0.190 0.000 1.021 387 N CB 1.744 40.305 38.487 0.123 0.000 1.618 387 N HN 0.628 nan 8.380 nan 0.000 0.554 388 G N 0.134 108.997 108.800 0.105 0.000 2.489 388 G HA2 0.597 4.557 3.960 -0.000 0.000 0.305 388 G HA3 0.597 4.557 3.960 -0.000 0.000 0.305 388 G C -2.023 172.921 174.900 0.073 0.000 1.311 388 G CA -0.167 45.008 45.100 0.125 0.000 0.813 388 G HN 0.876 nan 8.290 nan 0.000 0.480 389 V N -0.461 119.447 119.914 -0.010 0.000 2.851 389 V HA 0.720 4.839 4.120 -0.000 0.000 0.307 389 V C -0.270 175.423 176.094 -0.669 0.000 1.129 389 V CA -0.263 61.818 62.300 -0.366 0.000 0.932 389 V CB 1.925 33.307 31.823 -0.735 0.000 1.024 389 V HN 1.359 nan 8.190 nan 0.000 0.426 390 S N 4.443 119.483 115.700 -1.101 0.000 2.443 390 S HA 0.428 4.897 4.470 -0.000 0.000 0.284 390 S C -0.542 173.752 174.600 -0.510 0.000 1.206 390 S CA 0.456 57.966 58.200 -1.150 0.000 1.074 390 S CB -0.303 62.301 63.200 -0.993 0.000 0.963 390 S HN 0.975 nan 8.310 nan 0.000 0.501 391 D N 2.763 122.956 120.400 -0.345 0.000 2.474 391 D HA 0.150 4.790 4.640 -0.000 0.000 0.234 391 D C 0.843 177.078 176.300 -0.108 0.000 1.323 391 D CA -0.141 53.753 54.000 -0.177 0.000 0.915 391 D CB 0.310 41.040 40.800 -0.117 0.000 1.487 391 D HN 0.369 nan 8.370 nan 0.000 0.524 392 S N 2.699 118.338 115.700 -0.101 0.000 2.419 392 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 392 S C 1.565 176.141 174.600 -0.040 0.000 1.016 392 S CA 0.510 58.675 58.200 -0.059 0.000 0.974 392 S CB -0.062 63.105 63.200 -0.056 0.000 0.786 392 S HN 0.499 nan 8.310 nan 0.000 0.492 393 R N 0.582 121.059 120.500 -0.038 0.000 2.280 393 R HA 0.173 4.513 4.340 -0.000 0.000 0.195 393 R C 0.116 176.411 176.300 -0.007 0.000 0.935 393 R CA 0.595 56.681 56.100 -0.023 0.000 1.033 393 R CB -0.232 30.055 30.300 -0.021 0.000 0.964 393 R HN 0.407 nan 8.270 nan 0.000 0.489 394 D N -0.948 119.450 120.400 -0.003 0.000 2.907 394 D HA -0.186 4.454 4.640 -0.000 0.000 0.226 394 D C 0.520 176.841 176.300 0.036 0.000 1.141 394 D CA 0.726 54.739 54.000 0.022 0.000 0.779 394 D CB -0.755 40.062 40.800 0.027 0.000 1.095 394 D HN 0.386 nan 8.370 nan 0.000 0.430 395 A N -0.905 121.932 122.820 0.028 0.000 2.208 395 A HA 0.309 4.628 4.320 -0.000 0.000 0.209 395 A C 1.930 179.556 177.584 0.069 0.000 1.161 395 A CA 0.728 52.790 52.037 0.041 0.000 0.782 395 A CB 0.161 19.177 19.000 0.027 0.000 0.816 395 A HN 0.439 nan 8.150 nan 0.000 0.477 396 L N -3.026 118.247 121.223 0.083 0.000 2.806 396 L HA 0.213 4.552 4.340 -0.000 0.000 0.242 396 L C 2.227 179.222 176.870 0.208 0.000 1.068 396 L CA 0.177 55.103 54.840 0.144 0.000 0.923 396 L CB -0.245 41.900 42.059 0.143 0.000 1.364 396 L HN 0.315 nan 8.230 nan 0.000 0.511 397 R N 1.450 122.044 120.500 0.157 0.000 2.096 397 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 397 R C -0.620 175.829 176.300 0.247 0.000 1.139 397 R CA 2.107 58.335 56.100 0.213 0.000 0.952 397 R CB -0.929 29.459 30.300 0.146 0.000 0.854 397 R HN 0.176 nan 8.270 nan 0.000 0.436 398 P HA -0.144 nan 4.420 nan 0.000 0.215 398 P C 0.759 178.146 177.300 0.145 0.000 1.157 398 P CA 2.185 65.367 63.100 0.138 0.000 0.874 398 P CB -0.055 31.702 31.700 0.096 0.000 0.790 399 A N -1.967 120.942 122.820 0.148 0.000 1.929 399 A HA -0.191 4.128 4.320 -0.000 0.000 0.216 399 A C 2.256 179.977 177.584 0.229 0.000 1.176 399 A CA 1.137 53.246 52.037 0.119 0.000 0.628 399 A CB -1.860 17.198 19.000 0.096 0.000 0.816 399 A HN 0.130 nan 8.150 nan 0.000 0.444 400 Y N 0.137 120.572 120.300 0.225 0.000 2.181 400 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 400 Y C 2.021 178.202 175.900 0.469 0.000 1.146 400 Y CA 1.837 60.163 58.100 0.376 0.000 1.164 400 Y CB -0.282 38.381 38.460 0.339 0.000 0.982 400 Y HN 0.273 nan 8.280 nan 0.000 0.515 401 L N -0.588 120.984 121.223 0.582 0.000 2.017 401 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 401 L C 2.204 179.239 176.870 0.275 0.000 1.073 401 L CA 1.868 56.995 54.840 0.479 0.000 0.745 401 L CB -1.080 41.170 42.059 0.319 0.000 0.894 401 L HN 0.116 nan 8.230 nan 0.000 0.432 402 V N -0.847 119.167 119.914 0.166 0.000 2.427 402 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 402 V C 2.556 178.694 176.094 0.074 0.000 1.051 402 V CA 1.636 63.972 62.300 0.060 0.000 1.048 402 V CB -0.759 31.041 31.823 -0.038 0.000 0.666 402 V HN 0.496 nan 8.190 nan 0.000 0.456 403 S N -0.377 115.371 115.700 0.079 0.000 2.351 403 S HA -0.258 4.211 4.470 -0.000 0.000 0.220 403 S C 1.906 176.504 174.600 -0.003 0.000 1.035 403 S CA 2.137 60.340 58.200 0.005 0.000 1.031 403 S CB -0.439 62.695 63.200 -0.110 0.000 0.928 403 S HN 0.735 nan 8.310 nan 0.000 0.433 404 H N 0.295 119.404 119.070 0.066 0.000 2.389 404 H HA 0.069 4.625 4.556 -0.000 0.000 0.299 404 H C 2.043 177.443 175.328 0.120 0.000 1.081 404 H CA 1.137 57.264 56.048 0.131 0.000 1.345 404 H CB -0.453 29.459 29.762 0.250 0.000 1.393 404 H HN 0.131 nan 8.280 nan 0.000 0.520 405 V N 0.459 120.432 119.914 0.098 0.000 2.490 405 V HA -0.282 3.837 4.120 -0.000 0.000 0.250 405 V C 2.016 178.261 176.094 0.251 0.000 1.061 405 V CA 1.743 64.038 62.300 -0.008 0.000 1.064 405 V CB -0.611 31.161 31.823 -0.085 0.000 0.670 405 V HN 0.460 nan 8.190 nan 0.000 0.461 406 Y N 1.347 121.689 120.300 0.069 0.000 2.163 406 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 406 Y C 2.731 178.717 175.900 0.142 0.000 1.136 406 Y CA 1.659 59.799 58.100 0.068 0.000 1.147 406 Y CB -0.567 37.862 38.460 -0.052 0.000 0.987 406 Y HN 0.207 nan 8.280 nan 0.000 0.509 407 S N -0.442 115.189 115.700 -0.116 0.000 2.387 407 S HA -0.200 4.269 4.470 -0.000 0.000 0.230 407 S C 2.151 176.748 174.600 -0.005 0.000 1.035 407 S CA 1.542 59.637 58.200 -0.175 0.000 1.014 407 S CB -0.733 62.426 63.200 -0.069 0.000 0.836 407 S HN 0.344 nan 8.310 nan 0.000 0.466 408 V N 1.698 121.706 119.914 0.157 0.000 2.358 408 V HA -0.150 3.969 4.120 -0.000 0.000 0.246 408 V C 2.049 178.310 176.094 0.278 0.000 1.047 408 V CA 1.585 64.046 62.300 0.269 0.000 1.035 408 V CB -0.789 31.284 31.823 0.417 0.000 0.658 408 V HN 0.766 nan 8.190 nan 0.000 0.452 409 W N 1.984 123.365 121.300 0.134 0.000 2.333 409 W HA -0.270 4.390 4.660 -0.000 0.000 0.316 409 W C 2.343 178.737 176.519 -0.208 0.000 1.215 409 W CA 2.352 59.602 57.345 -0.158 0.000 1.278 409 W CB -0.559 28.627 29.460 -0.457 0.000 1.154 409 W HN 0.248 nan 8.180 nan 0.000 0.486 410 K N 0.878 120.998 120.400 -0.468 0.000 2.044 410 K HA -0.228 4.091 4.320 -0.000 0.000 0.210 410 K C 2.351 178.758 176.600 -0.320 0.000 1.049 410 K CA 2.457 58.412 56.287 -0.554 0.000 0.927 410 K CB -0.553 31.531 32.500 -0.694 0.000 0.713 410 K HN 0.123 nan 8.250 nan 0.000 0.443 411 A N 0.794 123.560 122.820 -0.090 0.000 1.877 411 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 411 A C 2.322 179.809 177.584 -0.162 0.000 1.186 411 A CA 1.874 53.893 52.037 -0.029 0.000 0.620 411 A CB -0.807 18.192 19.000 -0.003 0.000 0.822 411 A HN 0.502 nan 8.150 nan 0.000 0.443 412 A N 0.197 122.901 122.820 -0.193 0.000 1.898 412 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 412 A C 2.048 179.403 177.584 -0.381 0.000 1.181 412 A CA 1.720 53.630 52.037 -0.210 0.000 0.620 412 A CB -0.707 18.242 19.000 -0.084 0.000 0.819 412 A HN 0.611 nan 8.150 nan 0.000 0.442 413 N N 0.283 118.568 118.700 -0.691 0.000 2.272 413 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 413 N C 0.977 176.256 175.510 -0.384 0.000 1.014 413 N CA 1.364 53.962 53.050 -0.753 0.000 0.870 413 N CB -0.164 37.582 38.487 -1.235 0.000 0.975 413 N HN 0.652 nan 8.380 nan 0.000 0.433 414 E N -1.064 118.967 120.200 -0.283 0.000 2.403 414 E HA 0.175 4.524 4.350 -0.000 0.000 0.188 414 E C 0.738 177.255 176.600 -0.139 0.000 1.056 414 E CA 0.220 56.527 56.400 -0.156 0.000 0.892 414 E CB 0.029 29.683 29.700 -0.077 0.000 1.049 414 E HN 0.483 nan 8.360 nan 0.000 0.465 415 G N 1.158 109.853 108.800 -0.175 0.000 2.217 415 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.246 415 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.246 415 G C 0.198 174.937 174.900 -0.268 0.000 0.990 415 G CA -0.255 44.745 45.100 -0.167 0.000 0.627 415 G HN 0.172 nan 8.290 nan 0.000 0.522 416 I N 3.541 123.928 120.570 -0.304 0.000 2.587 416 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 416 I C -1.113 174.796 176.117 -0.346 0.000 1.134 416 I CA -2.337 58.671 61.300 -0.487 0.000 1.410 416 I CB 0.589 38.403 38.000 -0.310 0.000 1.392 416 I HN -0.014 nan 8.210 nan 0.000 0.545 417 P HA 0.016 nan 4.420 nan 0.000 0.235 417 P C -0.453 176.835 177.300 -0.019 0.000 1.720 417 P CA 0.070 63.077 63.100 -0.155 0.000 1.003 417 P CB -0.252 31.374 31.700 -0.124 0.000 1.968 418 V N 3.939 123.876 119.914 0.039 0.000 2.389 418 V HA 0.104 4.224 4.120 -0.000 0.000 0.264 418 V C 1.568 177.788 176.094 0.210 0.000 1.049 418 V CA -0.003 62.379 62.300 0.137 0.000 0.932 418 V CB 1.115 33.052 31.823 0.190 0.000 1.011 418 V HN 0.172 nan 8.190 nan 0.000 0.475 419 K N 3.328 123.781 120.400 0.088 0.000 2.487 419 K HA 0.301 4.621 4.320 -0.000 0.000 0.192 419 K C 0.729 177.081 176.600 -0.414 0.000 1.027 419 K CA 0.452 56.723 56.287 -0.028 0.000 1.054 419 K CB 0.641 33.098 32.500 -0.072 0.000 0.824 419 K HN 0.890 nan 8.250 nan 0.000 0.510 420 G N 0.142 108.612 108.800 -0.550 0.000 2.338 420 G HA2 0.237 4.197 3.960 -0.000 0.000 0.295 420 G HA3 0.237 4.197 3.960 -0.000 0.000 0.295 420 G C -2.376 172.290 174.900 -0.390 0.000 1.461 420 G CA -0.861 43.557 45.100 -1.137 0.000 0.817 420 G HN 0.030 nan 8.290 nan 0.000 0.556 421 Y N 0.776 120.831 120.300 -0.408 0.000 2.329 421 Y HA 0.733 5.283 4.550 -0.000 0.000 0.328 421 Y C -1.026 174.943 175.900 0.114 0.000 0.992 421 Y CA -1.109 57.005 58.100 0.024 0.000 1.151 421 Y CB 1.355 39.934 38.460 0.198 0.000 1.150 421 Y HN 0.484 nan 8.280 nan 0.000 0.450 422 L N 6.900 127.935 121.223 -0.313 0.000 2.298 422 L HA 0.352 4.692 4.340 -0.000 0.000 0.284 422 L C -0.546 176.181 176.870 -0.238 0.000 1.013 422 L CA -1.000 53.755 54.840 -0.141 0.000 0.824 422 L CB 1.069 43.085 42.059 -0.072 0.000 1.221 422 L HN 0.687 nan 8.230 nan 0.000 0.418 423 H N 3.378 122.405 119.070 -0.071 0.000 2.732 423 H HA 0.013 4.569 4.556 -0.000 0.000 0.351 423 H C -0.708 174.726 175.328 0.177 0.000 1.090 423 H CA 0.076 56.169 56.048 0.075 0.000 1.431 423 H CB 0.940 30.845 29.762 0.238 0.000 1.447 423 H HN 0.566 nan 8.280 nan 0.000 0.582 424 W N 6.438 127.533 121.300 -0.341 0.000 2.605 424 W HA 0.244 4.904 4.660 -0.000 0.000 0.327 424 W C -0.926 175.643 176.519 0.083 0.000 1.332 424 W CA -0.020 57.297 57.345 -0.047 0.000 1.403 424 W CB -0.241 29.255 29.460 0.060 0.000 1.452 424 W HN 0.801 nan 8.180 nan 0.000 0.503 425 S N 3.528 118.795 115.700 -0.721 0.000 3.152 425 S HA -0.310 4.160 4.470 -0.000 0.000 0.857 425 S C 0.273 174.654 174.600 -0.366 0.000 1.044 425 S CA 0.113 57.941 58.200 -0.619 0.000 1.231 425 S CB -0.762 61.988 63.200 -0.750 0.000 0.871 425 S HN 0.751 nan 8.310 nan 0.000 0.252 426 L N 3.428 124.212 121.223 -0.731 0.000 2.131 426 L HA 0.200 4.540 4.340 -0.000 0.000 0.206 426 L C 1.348 178.006 176.870 -0.353 0.000 1.087 426 L CA 2.549 56.930 54.840 -0.765 0.000 0.767 426 L CB -0.230 41.018 42.059 -1.353 0.000 0.917 426 L HN 1.004 nan 8.230 nan 0.000 0.441 427 T N -3.267 111.149 114.554 -0.230 0.000 2.930 427 T HA 0.393 4.743 4.350 -0.000 0.000 0.290 427 T C -0.375 174.304 174.700 -0.036 0.000 1.052 427 T CA -0.999 61.044 62.100 -0.095 0.000 1.017 427 T CB 1.241 70.076 68.868 -0.055 0.000 1.137 427 T HN -0.019 nan 8.240 nan 0.000 0.511 428 D N 1.914 122.312 120.400 -0.003 0.000 2.361 428 D HA 0.323 4.963 4.640 -0.000 0.000 0.239 428 D C 0.387 176.758 176.300 0.117 0.000 1.200 428 D CA 0.181 54.255 54.000 0.123 0.000 0.915 428 D CB 0.489 41.419 40.800 0.216 0.000 1.170 428 D HN 0.770 nan 8.370 nan 0.000 0.444 429 N N -0.553 118.221 118.700 0.123 0.000 3.364 429 N HA 0.040 4.780 4.740 -0.000 0.000 0.294 429 N C -1.397 174.091 175.510 -0.036 0.000 1.562 429 N CA -0.676 52.285 53.050 -0.148 0.000 0.862 429 N CB 0.638 38.390 38.487 -1.225 0.000 1.691 429 N HN 0.284 nan 8.380 nan 0.000 0.572 430 Y N 1.065 121.104 120.300 -0.436 0.000 2.539 430 Y HA 0.178 4.728 4.550 -0.000 0.000 0.352 430 Y C 0.355 175.887 175.900 -0.612 0.000 1.004 430 Y CA -0.172 57.469 58.100 -0.765 0.000 1.278 430 Y CB 0.384 38.318 38.460 -0.876 0.000 1.136 430 Y HN 0.618 nan 8.280 nan 0.000 0.528 431 E N 6.581 126.393 120.200 -0.645 0.000 2.148 431 E HA 0.137 4.487 4.350 -0.000 0.000 0.308 431 E C -0.361 176.058 176.600 -0.302 0.000 1.278 431 E CA 0.026 56.236 56.400 -0.315 0.000 1.368 431 E CB -0.584 29.116 29.700 0.000 0.000 1.229 431 E HN 0.719 nan 8.360 nan 0.000 0.494 432 W N 1.333 122.414 121.300 -0.366 0.000 2.164 432 W HA -0.476 4.184 4.660 -0.000 0.000 0.291 432 W C 1.868 178.320 176.519 -0.112 0.000 1.276 432 W CA 1.538 58.733 57.345 -0.250 0.000 1.209 432 W CB -1.720 27.626 29.460 -0.190 0.000 0.887 432 W HN 0.381 nan 8.180 nan 0.000 0.530 433 A N -0.729 122.408 122.820 0.529 0.000 2.121 433 A HA -0.121 4.198 4.320 -0.000 0.000 0.218 433 A C 1.735 179.414 177.584 0.157 0.000 1.154 433 A CA 1.992 54.281 52.037 0.420 0.000 0.679 433 A CB -0.576 18.750 19.000 0.544 0.000 0.795 433 A HN 0.503 nan 8.150 nan 0.000 0.458 434 Q N -0.872 118.978 119.800 0.083 0.000 2.432 434 Q HA 0.321 4.661 4.340 -0.000 0.000 0.205 434 Q C 1.138 176.976 176.000 -0.269 0.000 0.945 434 Q CA 0.957 56.723 55.803 -0.061 0.000 0.924 434 Q CB -0.331 28.369 28.738 -0.063 0.000 1.016 434 Q HN 0.847 nan 8.270 nan 0.000 0.503 435 G N -0.422 108.049 108.800 -0.548 0.000 2.539 435 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.256 435 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.256 435 G C 0.141 174.569 174.900 -0.786 0.000 1.233 435 G CA 0.028 44.622 45.100 -0.844 0.000 0.936 435 G HN 0.297 nan 8.290 nan 0.000 0.571 436 F N 1.931 121.693 119.950 -0.314 0.000 2.789 436 F HA 0.185 4.712 4.527 -0.000 0.000 0.300 436 F C 2.652 178.355 175.800 -0.162 0.000 1.132 436 F CA 1.193 59.021 58.000 -0.286 0.000 1.404 436 F CB -0.068 38.692 39.000 -0.400 0.000 1.114 436 F HN 0.503 nan 8.300 nan 0.000 0.584 437 R N -0.247 120.227 120.500 -0.043 0.000 2.328 437 R HA -0.067 4.273 4.340 -0.000 0.000 0.207 437 R C 0.227 176.438 176.300 -0.149 0.000 1.056 437 R CA 0.613 56.667 56.100 -0.077 0.000 1.016 437 R CB -0.409 29.820 30.300 -0.118 0.000 0.872 437 R HN 0.095 nan 8.270 nan 0.000 0.471 438 Q N 1.664 121.364 119.800 -0.166 0.000 2.400 438 Q HA 0.262 4.601 4.340 -0.000 0.000 0.255 438 Q C -1.537 174.459 176.000 -0.007 0.000 1.008 438 Q CA -0.399 55.266 55.803 -0.230 0.000 0.841 438 Q CB 1.706 30.233 28.738 -0.352 0.000 1.220 438 Q HN -0.036 nan 8.270 nan 0.000 0.474 439 K N 2.884 123.236 120.400 -0.081 0.000 2.281 439 K HA 0.310 4.630 4.320 -0.000 0.000 0.272 439 K C -0.490 176.096 176.600 -0.023 0.000 1.048 439 K CA 0.060 56.373 56.287 0.044 0.000 0.898 439 K CB 0.505 33.022 32.500 0.028 0.000 1.128 439 K HN 0.499 nan 8.250 nan 0.000 0.460 440 F N 0.249 120.270 119.950 0.118 0.000 2.695 440 F HA 0.243 4.769 4.527 -0.000 0.000 0.303 440 F C 1.432 177.295 175.800 0.106 0.000 1.091 440 F CA -0.547 57.556 58.000 0.171 0.000 1.300 440 F CB 0.356 39.604 39.000 0.413 0.000 1.071 440 F HN 0.591 nan 8.300 nan 0.000 0.578 441 G N 0.305 109.221 108.800 0.193 0.000 2.544 441 G HA2 0.249 4.208 3.960 -0.000 0.000 0.242 441 G HA3 0.249 4.208 3.960 -0.000 0.000 0.242 441 G C 0.857 175.799 174.900 0.069 0.000 1.247 441 G CA -0.391 44.755 45.100 0.077 0.000 0.840 441 G HN 0.258 nan 8.290 nan 0.000 0.578 442 L N 0.659 121.881 121.223 -0.001 0.000 2.341 442 L HA 0.115 4.454 4.340 -0.000 0.000 0.214 442 L C 0.389 177.237 176.870 -0.036 0.000 1.115 442 L CA 0.345 55.163 54.840 -0.037 0.000 0.820 442 L CB 0.066 42.020 42.059 -0.174 0.000 0.944 442 L HN 0.166 nan 8.230 nan 0.000 0.452 443 V N 0.833 120.711 119.914 -0.060 0.000 2.409 443 V HA 0.256 4.376 4.120 -0.000 0.000 0.291 443 V C 0.230 176.303 176.094 -0.035 0.000 1.020 443 V CA -0.558 61.714 62.300 -0.048 0.000 0.848 443 V CB 1.904 33.671 31.823 -0.092 0.000 0.990 443 V HN 0.080 nan 8.190 nan 0.000 0.430 444 M N 5.543 125.147 119.600 0.007 0.000 2.233 444 M HA 0.469 4.949 4.480 -0.000 0.000 0.350 444 M C -1.203 175.070 176.300 -0.044 0.000 1.176 444 M CA 0.258 55.558 55.300 -0.001 0.000 1.150 444 M CB 1.348 33.969 32.600 0.035 0.000 1.530 444 M HN 0.435 nan 8.290 nan 0.000 0.459 445 V N 5.038 124.824 119.914 -0.214 0.000 2.444 445 V HA 0.206 4.325 4.120 -0.000 0.000 0.294 445 V C -0.344 175.392 176.094 -0.597 0.000 1.022 445 V CA -0.961 61.070 62.300 -0.449 0.000 0.850 445 V CB 1.679 33.040 31.823 -0.770 0.000 0.992 445 V HN 0.778 nan 8.190 nan 0.000 0.426 446 D N 4.054 124.277 120.400 -0.294 0.000 2.374 446 D HA 0.179 4.818 4.640 -0.000 0.000 0.240 446 D C 0.729 176.836 176.300 -0.320 0.000 1.229 446 D CA -0.131 53.753 54.000 -0.192 0.000 0.895 446 D CB 0.655 41.481 40.800 0.043 0.000 1.046 446 D HN 0.435 nan 8.370 nan 0.000 0.498 447 F N 2.542 122.389 119.950 -0.172 0.000 2.494 447 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 447 F C 2.452 178.147 175.800 -0.174 0.000 1.106 447 F CA 0.504 58.348 58.000 -0.260 0.000 1.452 447 F CB 0.059 38.714 39.000 -0.576 0.000 1.085 447 F HN 0.340 nan 8.300 nan 0.000 0.569 448 K N 0.445 120.847 120.400 0.003 0.000 2.067 448 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 448 K C 2.061 178.659 176.600 -0.004 0.000 1.048 448 K CA 1.758 58.046 56.287 0.003 0.000 0.954 448 K CB -0.141 32.358 32.500 -0.001 0.000 0.737 448 K HN 0.295 nan 8.250 nan 0.000 0.444 449 T N -2.057 112.486 114.554 -0.018 0.000 3.037 449 T HA 0.172 4.522 4.350 -0.000 0.000 0.251 449 T C 0.369 175.042 174.700 -0.046 0.000 1.079 449 T CA -0.118 61.970 62.100 -0.019 0.000 1.067 449 T CB 0.327 69.193 68.868 -0.003 0.000 0.948 449 T HN 0.108 nan 8.240 nan 0.000 0.496 450 K N 0.167 120.517 120.400 -0.084 0.000 3.512 450 K HA -0.113 4.207 4.320 -0.000 0.000 0.309 450 K C -0.313 176.191 176.600 -0.160 0.000 1.350 450 K CA 0.729 56.947 56.287 -0.116 0.000 0.960 450 K CB -2.059 30.412 32.500 -0.048 0.000 1.290 450 K HN 0.552 nan 8.250 nan 0.000 0.454 451 K N 1.460 121.755 120.400 -0.176 0.000 2.270 451 K HA 0.237 4.557 4.320 -0.000 0.000 0.276 451 K C 0.231 176.573 176.600 -0.431 0.000 1.023 451 K CA -0.340 55.765 56.287 -0.303 0.000 0.955 451 K CB 0.468 32.754 32.500 -0.357 0.000 0.975 451 K HN -0.044 nan 8.250 nan 0.000 0.471 452 R N 1.923 122.138 120.500 -0.474 0.000 2.346 452 R HA 0.302 4.642 4.340 -0.000 0.000 0.311 452 R C -1.167 174.804 176.300 -0.548 0.000 0.983 452 R CA -0.338 55.532 56.100 -0.383 0.000 0.880 452 R CB 0.454 30.625 30.300 -0.215 0.000 1.100 452 R HN 0.435 nan 8.270 nan 0.000 0.453 453 Y N 2.141 122.388 120.300 -0.088 0.000 2.376 453 Y HA 0.384 4.934 4.550 -0.000 0.000 0.340 453 Y C -0.064 175.805 175.900 -0.052 0.000 0.965 453 Y CA -0.938 57.124 58.100 -0.063 0.000 1.078 453 Y CB 1.369 39.789 38.460 -0.067 0.000 1.193 453 Y HN 0.262 nan 8.280 nan 0.000 0.452 454 L N 4.882 126.169 121.223 0.106 0.000 2.360 454 L HA 0.384 4.723 4.340 -0.000 0.000 0.276 454 L C 0.389 177.299 176.870 0.066 0.000 1.121 454 L CA -0.184 54.693 54.840 0.061 0.000 0.845 454 L CB 0.336 42.426 42.059 0.052 0.000 1.143 454 L HN 0.580 nan 8.230 nan 0.000 0.452 455 R N 3.707 124.234 120.500 0.045 0.000 2.532 455 R HA 0.231 4.571 4.340 -0.000 0.000 0.272 455 R C -1.579 174.748 176.300 0.046 0.000 1.032 455 R CA -1.701 54.423 56.100 0.040 0.000 1.089 455 R CB 0.781 31.101 30.300 0.032 0.000 1.098 455 R HN 0.310 nan 8.270 nan 0.000 0.526 456 P HA -0.209 nan 4.420 nan 0.000 0.217 456 P C 1.126 178.467 177.300 0.069 0.000 1.148 456 P CA 1.467 64.600 63.100 0.055 0.000 0.828 456 P CB 0.193 31.923 31.700 0.050 0.000 0.783 457 S N -0.567 115.174 115.700 0.069 0.000 2.400 457 S HA -0.182 4.287 4.470 -0.000 0.000 0.232 457 S C 2.075 176.734 174.600 0.099 0.000 1.025 457 S CA 1.212 59.462 58.200 0.084 0.000 0.993 457 S CB -1.423 61.825 63.200 0.079 0.000 0.808 457 S HN 0.132 nan 8.310 nan 0.000 0.478 458 A N 2.213 125.077 122.820 0.074 0.000 1.902 458 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 458 A C 2.320 180.000 177.584 0.160 0.000 1.181 458 A CA 1.437 53.528 52.037 0.089 0.000 0.623 458 A CB -0.832 18.192 19.000 0.039 0.000 0.818 458 A HN 0.552 nan 8.150 nan 0.000 0.443 459 L N -0.557 120.736 121.223 0.118 0.000 2.046 459 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 459 L C 2.504 179.447 176.870 0.121 0.000 1.077 459 L CA 1.109 56.016 54.840 0.112 0.000 0.747 459 L CB -0.711 41.396 42.059 0.080 0.000 0.896 459 L HN 0.238 nan 8.230 nan 0.000 0.432 460 V N -0.354 119.632 119.914 0.119 0.000 2.407 460 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 460 V C 2.270 178.439 176.094 0.125 0.000 1.055 460 V CA 1.908 64.270 62.300 0.102 0.000 1.049 460 V CB -0.655 31.224 31.823 0.095 0.000 0.662 460 V HN 0.321 nan 8.190 nan 0.000 0.455 461 F N 1.180 121.154 119.950 0.041 0.000 2.102 461 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 461 F C 2.671 178.525 175.800 0.090 0.000 1.105 461 F CA 2.218 60.254 58.000 0.061 0.000 1.239 461 F CB -0.328 38.698 39.000 0.043 0.000 0.991 461 F HN -0.065 nan 8.300 nan 0.000 0.474 462 R N 0.487 121.116 120.500 0.214 0.000 2.083 462 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 462 R C 2.091 178.409 176.300 0.030 0.000 1.137 462 R CA 1.898 58.075 56.100 0.128 0.000 0.951 462 R CB -0.464 29.931 30.300 0.157 0.000 0.851 462 R HN 0.284 nan 8.270 nan 0.000 0.434 463 E N 0.711 120.932 120.200 0.036 0.000 2.058 463 E HA -0.205 4.144 4.350 -0.000 0.000 0.194 463 E C 2.123 178.724 176.600 0.002 0.000 0.997 463 E CA 1.390 57.807 56.400 0.027 0.000 0.801 463 E CB -0.298 29.415 29.700 0.021 0.000 0.746 463 E HN 0.490 nan 8.360 nan 0.000 0.450 464 I N 0.947 121.476 120.570 -0.070 0.000 2.202 464 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 464 I C 2.523 178.599 176.117 -0.069 0.000 1.091 464 I CA 1.059 62.305 61.300 -0.089 0.000 1.368 464 I CB -0.384 37.527 38.000 -0.148 0.000 1.058 464 I HN 0.001 nan 8.210 nan 0.000 0.410 465 A N 0.336 123.023 122.820 -0.223 0.000 1.902 465 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 465 A C 2.389 179.989 177.584 0.027 0.000 1.181 465 A CA 2.457 54.413 52.037 -0.135 0.000 0.623 465 A CB -1.089 17.782 19.000 -0.215 0.000 0.818 465 A HN 0.368 nan 8.150 nan 0.000 0.443 466 T N -1.357 113.219 114.554 0.038 0.000 2.746 466 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 466 T C 1.859 176.610 174.700 0.085 0.000 1.039 466 T CA 1.508 63.647 62.100 0.065 0.000 1.142 466 T CB -0.365 68.540 68.868 0.063 0.000 0.866 466 T HN 0.647 nan 8.240 nan 0.000 0.444 467 H N 1.434 120.506 119.070 0.004 0.000 2.551 467 H HA 0.125 4.681 4.556 -0.000 0.000 0.266 467 H C 1.072 176.416 175.328 0.027 0.000 0.977 467 H CA 0.425 56.472 56.048 -0.000 0.000 1.163 467 H CB -0.517 29.227 29.762 -0.029 0.000 1.381 467 H HN 0.483 nan 8.280 nan 0.000 0.581 468 N N -0.342 118.496 118.700 0.230 0.000 2.727 468 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 468 N C -0.029 175.703 175.510 0.372 0.000 1.048 468 N CA 0.365 53.584 53.050 0.282 0.000 0.714 468 N CB -0.888 37.731 38.487 0.220 0.000 0.959 468 N HN 0.703 nan 8.380 nan 0.000 0.544 469 G N -0.395 108.586 108.800 0.300 0.000 2.323 469 G HA2 0.365 4.325 3.960 -0.000 0.000 0.291 469 G HA3 0.365 4.325 3.960 -0.000 0.000 0.291 469 G C -1.358 173.424 174.900 -0.196 0.000 1.278 469 G CA -0.696 44.428 45.100 0.040 0.000 0.860 469 G HN 0.164 nan 8.290 nan 0.000 0.504 470 I N 3.070 123.385 120.570 -0.426 0.000 2.330 470 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 470 I C -1.938 173.808 176.117 -0.618 0.000 1.025 470 I CA -1.900 59.144 61.300 -0.427 0.000 1.197 470 I CB 1.907 39.701 38.000 -0.343 0.000 1.358 470 I HN 0.192 nan 8.210 nan 0.000 0.467 471 P HA 0.019 nan 4.420 nan 0.000 0.268 471 P C -0.229 176.888 177.300 -0.304 0.000 1.208 471 P CA -0.046 62.700 63.100 -0.591 0.000 0.777 471 P CB 1.181 32.684 31.700 -0.328 0.000 0.875 472 D N 1.623 121.898 120.400 -0.209 0.000 2.133 472 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 472 D C 1.702 177.944 176.300 -0.097 0.000 0.997 472 D CA 1.700 55.612 54.000 -0.147 0.000 0.840 472 D CB -0.516 40.227 40.800 -0.096 0.000 0.947 472 D HN 0.638 nan 8.370 nan 0.000 0.452 473 E N 0.257 120.414 120.200 -0.071 0.000 2.455 473 E HA -0.129 4.221 4.350 -0.000 0.000 0.202 473 E C 1.455 178.071 176.600 0.027 0.000 1.045 473 E CA 0.604 56.986 56.400 -0.029 0.000 0.872 473 E CB -0.220 29.468 29.700 -0.021 0.000 0.792 473 E HN 0.342 nan 8.360 nan 0.000 0.542 474 L N 0.385 121.602 121.223 -0.010 0.000 3.016 474 L HA 0.104 4.444 4.340 -0.000 0.000 0.267 474 L C 1.700 178.526 176.870 -0.074 0.000 1.182 474 L CA -0.268 54.582 54.840 0.017 0.000 0.997 474 L CB 0.397 42.416 42.059 -0.067 0.000 1.354 474 L HN -0.068 nan 8.230 nan 0.000 0.569 475 Q N 0.583 120.334 119.800 -0.081 0.000 2.234 475 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 475 Q C 1.963 177.873 176.000 -0.150 0.000 0.980 475 Q CA 1.458 57.156 55.803 -0.174 0.000 0.869 475 Q CB -0.338 28.295 28.738 -0.176 0.000 0.912 475 Q HN 0.709 nan 8.270 nan 0.000 0.436 476 H N -0.653 118.333 119.070 -0.140 0.000 2.521 476 H HA -0.004 4.552 4.556 -0.000 0.000 0.286 476 H C 1.474 176.745 175.328 -0.096 0.000 1.034 476 H CA 0.544 56.526 56.048 -0.111 0.000 1.278 476 H CB -0.457 29.261 29.762 -0.073 0.000 1.386 476 H HN 0.209 nan 8.280 nan 0.000 0.567 477 L N 2.204 123.040 121.223 -0.645 0.000 2.612 477 L HA 0.022 4.362 4.340 -0.000 0.000 0.230 477 L C 1.759 178.487 176.870 -0.237 0.000 1.140 477 L CA 0.710 55.278 54.840 -0.455 0.000 0.896 477 L CB -0.042 41.745 42.059 -0.453 0.000 1.065 477 L HN 0.346 nan 8.230 nan 0.000 0.447 478 T N -3.623 110.771 114.554 -0.267 0.000 3.148 478 T HA 0.135 4.485 4.350 -0.000 0.000 0.253 478 T C 1.236 175.824 174.700 -0.187 0.000 1.134 478 T CA 0.109 62.042 62.100 -0.279 0.000 1.051 478 T CB 0.055 68.534 68.868 -0.647 0.000 0.959 478 T HN 0.159 nan 8.240 nan 0.000 0.525 479 L N -0.301 120.842 121.223 -0.135 0.000 2.338 479 L HA 0.547 4.887 4.340 -0.000 0.000 0.202 479 L C 1.129 177.988 176.870 -0.018 0.000 1.208 479 L CA -0.266 54.534 54.840 -0.067 0.000 2.369 479 L CB -0.125 41.908 42.059 -0.042 0.000 2.113 479 L HN 0.174 nan 8.230 nan 0.000 1.047 480 I N -2.824 117.754 120.570 0.013 0.000 3.550 480 I HA 0.285 4.455 4.170 -0.000 0.000 0.307 480 I C -0.998 175.162 176.117 0.072 0.000 1.178 480 I CA -0.813 60.521 61.300 0.056 0.000 1.001 480 I CB 1.856 39.900 38.000 0.073 0.000 1.360 480 I HN 0.239 nan 8.210 nan 0.000 0.477 481 Q N 0.000 119.859 119.800 0.099 0.000 2.315 481 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 481 Q CA 0.000 55.863 55.803 0.100 0.000 1.022 481 Q CB 0.000 28.817 28.738 0.132 0.000 1.108 481 Q HN 0.000 nan 8.270 nan 0.000 0.481