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 1mus_1_A DATA FIRST_RESID 4 DATA SEQUENCE SALHRAADWA KSVFSSAALG DPRRTARLVN VAAQLAKYSG KSITISSEGS DATA SEQUENCE KAAQEGAYRF IRNPNVSAEA IRKAGAMQTV KLAQEFPELL AIEDTTSLSY DATA SEQUENCE RHQVAEELGK LGSIQKASRG WWVHSVLLLE ATTFRTVGLL HQEWWMRPDD DATA SEQUENCE PADADEKESG KWLAAAATSR LRMGSMMSNV IAVCDREADI HAYLQDKLAH DATA SEQUENCE NERFVVRSKH PRKDVESGLY LYDHLKNQPE LGGYQISIPQ KGVVDKRGKR DATA SEQUENCE KNRPARKASL SLRSGRITLK QGNITLNAVL AEEINPPKGE TPLKWLLLTS DATA SEQUENCE EPVESLAQAL RVIDIYTHRW RIEEFHKAWK TGAGAERQRM EKPDNLERMV DATA SEQUENCE SILSFVAVRL LQLRESFTPP XXXXXXXXXX XXXXXXSQSA ETVLTPDECQ DATA SEQUENCE LLGYLDKGKR KRKEKAGSLQ WAYMAIARLG GFMDSKRTGI ASWGALWEGW DATA SEQUENCE EALQSKLDGF LAAKDLMAQG IKIG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.648 174.600 0.081 0.000 1.055 4 S CA 0.000 58.232 58.200 0.054 0.000 1.107 4 S CB 0.000 63.236 63.200 0.061 0.000 0.593 5 A N 4.297 127.170 122.820 0.087 0.000 2.508 5 A HA 0.749 5.069 4.320 -0.000 0.000 0.336 5 A C -0.049 177.665 177.584 0.217 0.000 1.360 5 A CA -0.345 51.770 52.037 0.130 0.000 0.841 5 A CB 0.482 19.528 19.000 0.077 0.000 1.136 5 A HN 1.009 nan 8.150 nan 0.000 0.489 6 L N 1.407 122.722 121.223 0.154 0.000 2.437 6 L HA 0.299 4.639 4.340 -0.000 0.000 0.188 6 L C 1.588 178.374 176.870 -0.139 0.000 1.123 6 L CA 1.136 55.969 54.840 -0.012 0.000 0.981 6 L CB -0.544 41.358 42.059 -0.262 0.000 1.935 6 L HN 0.664 nan 8.230 nan 0.000 0.494 7 H N 0.855 119.925 119.070 0.000 0.000 2.352 7 H HA 0.051 4.607 4.556 -0.000 0.000 0.299 7 H C 0.306 175.789 175.328 0.258 0.000 1.097 7 H CA 1.464 57.558 56.048 0.076 0.000 1.311 7 H CB -0.224 29.597 29.762 0.097 0.000 1.377 7 H HN 0.130 nan 8.280 nan 0.000 0.504 8 R N 1.177 121.869 120.500 0.321 0.000 2.248 8 R HA 0.302 4.642 4.340 -0.000 0.000 0.337 8 R C 1.112 177.579 176.300 0.279 0.000 1.106 8 R CA 0.154 56.419 56.100 0.275 0.000 0.959 8 R CB 0.893 31.322 30.300 0.216 0.000 1.075 8 R HN 0.287 nan 8.270 nan 0.000 0.480 9 A N 3.427 126.415 122.820 0.279 0.000 1.929 9 A HA -0.346 3.974 4.320 -0.000 0.000 0.221 9 A C 2.231 180.049 177.584 0.390 0.000 1.211 9 A CA 2.419 54.652 52.037 0.327 0.000 0.657 9 A CB -0.610 18.544 19.000 0.257 0.000 0.827 9 A HN 0.793 nan 8.150 nan 0.000 0.462 10 A N -0.585 122.388 122.820 0.255 0.000 1.877 10 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 10 A C 1.810 179.490 177.584 0.161 0.000 1.186 10 A CA 1.921 54.071 52.037 0.189 0.000 0.620 10 A CB -0.619 18.459 19.000 0.129 0.000 0.822 10 A HN 0.516 nan 8.150 nan 0.000 0.443 11 D N -1.589 118.912 120.400 0.169 0.000 2.144 11 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 11 D C 1.570 177.938 176.300 0.114 0.000 0.978 11 D CA 1.228 55.298 54.000 0.117 0.000 0.833 11 D CB -0.455 40.417 40.800 0.120 0.000 0.961 11 D HN 0.771 nan 8.370 nan 0.000 0.470 12 W N 2.350 123.666 121.300 0.026 0.000 2.333 12 W HA -0.217 4.443 4.660 -0.000 0.000 0.316 12 W C 2.385 178.889 176.519 -0.025 0.000 1.215 12 W CA 2.547 59.887 57.345 -0.007 0.000 1.278 12 W CB -0.438 29.024 29.460 0.005 0.000 1.154 12 W HN -0.045 nan 8.180 nan 0.000 0.486 13 A N 0.585 123.318 122.820 -0.145 0.000 1.908 13 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 13 A C 2.012 179.431 177.584 -0.275 0.000 1.181 13 A CA 2.378 54.215 52.037 -0.333 0.000 0.627 13 A CB -1.064 17.994 19.000 0.096 0.000 0.818 13 A HN 0.451 nan 8.150 nan 0.000 0.445 14 K N 0.415 120.723 120.400 -0.153 0.000 2.057 14 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 14 K C 2.269 178.741 176.600 -0.212 0.000 1.050 14 K CA 1.911 58.123 56.287 -0.126 0.000 0.935 14 K CB -0.267 32.200 32.500 -0.056 0.000 0.715 14 K HN 0.580 nan 8.250 nan 0.000 0.439 15 S N -0.319 115.218 115.700 -0.271 0.000 2.382 15 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 15 S C 1.991 176.328 174.600 -0.438 0.000 1.027 15 S CA 1.357 59.384 58.200 -0.288 0.000 0.991 15 S CB -0.512 62.545 63.200 -0.237 0.000 0.823 15 S HN 0.118 nan 8.310 nan 0.000 0.469 16 V N -0.026 119.442 119.914 -0.742 0.000 2.407 16 V HA 0.131 4.251 4.120 -0.000 0.000 0.245 16 V C 1.744 177.187 176.094 -1.086 0.000 1.041 16 V CA 1.440 63.100 62.300 -1.067 0.000 1.040 16 V CB -0.766 30.022 31.823 -1.725 0.000 0.671 16 V HN 0.563 nan 8.190 nan 0.000 0.455 17 F N -0.177 119.498 119.950 -0.459 0.000 2.682 17 F HA 0.110 4.637 4.527 -0.000 0.000 0.308 17 F C 2.334 177.996 175.800 -0.230 0.000 1.093 17 F CA 0.518 58.308 58.000 -0.350 0.000 1.244 17 F CB -0.081 38.715 39.000 -0.340 0.000 1.052 17 F HN 0.126 nan 8.300 nan 0.000 0.573 18 S N -0.285 115.372 115.700 -0.071 0.000 2.488 18 S HA -0.201 4.269 4.470 -0.000 0.000 0.246 18 S C 1.717 176.291 174.600 -0.043 0.000 0.992 18 S CA 1.311 59.480 58.200 -0.052 0.000 0.963 18 S CB -0.709 62.450 63.200 -0.069 0.000 0.754 18 S HN 0.348 nan 8.310 nan 0.000 0.519 19 S N 0.424 116.092 115.700 -0.054 0.000 2.568 19 S HA 0.645 5.115 4.470 -0.000 0.000 0.232 19 S C 0.566 175.154 174.600 -0.020 0.000 0.975 19 S CA -0.123 58.052 58.200 -0.042 0.000 0.949 19 S CB -0.201 62.964 63.200 -0.059 0.000 0.829 19 S HN 0.735 nan 8.310 nan 0.000 0.479 20 A N 1.451 124.274 122.820 0.004 0.000 2.540 20 A HA 0.596 4.916 4.320 -0.000 0.000 0.239 20 A C 0.682 178.273 177.584 0.011 0.000 1.061 20 A CA 0.247 52.297 52.037 0.021 0.000 0.758 20 A CB -0.256 18.775 19.000 0.050 0.000 0.991 20 A HN 1.087 nan 8.150 nan 0.000 0.502 21 A N 3.292 126.116 122.820 0.007 0.000 2.880 21 A HA 0.537 4.857 4.320 -0.000 0.000 0.328 21 A C 0.514 178.100 177.584 0.003 0.000 1.440 21 A CA -0.432 51.607 52.037 0.003 0.000 1.068 21 A CB -0.475 18.524 19.000 -0.001 0.000 1.163 21 A HN 0.839 nan 8.150 nan 0.000 0.510 22 L N 1.183 122.412 121.223 0.009 0.000 2.616 22 L HA 0.299 4.639 4.340 -0.000 0.000 0.229 22 L C 1.596 178.465 176.870 -0.002 0.000 1.110 22 L CA 0.594 55.438 54.840 0.006 0.000 0.884 22 L CB 0.204 42.284 42.059 0.035 0.000 1.115 22 L HN 0.847 nan 8.230 nan 0.000 0.481 23 G N 0.422 109.222 108.800 0.001 0.000 2.141 23 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.242 23 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.242 23 G C -0.181 174.721 174.900 0.003 0.000 0.982 23 G CA 0.187 45.285 45.100 -0.002 0.000 0.662 23 G HN 0.399 nan 8.290 nan 0.000 0.527 24 D N -1.113 119.292 120.400 0.009 0.000 2.414 24 D HA 0.232 4.872 4.640 -0.000 0.000 0.187 24 D C -1.792 174.520 176.300 0.019 0.000 1.255 24 D CA -0.437 53.571 54.000 0.013 0.000 0.825 24 D CB 1.240 42.050 40.800 0.016 0.000 1.912 24 D HN -0.069 nan 8.370 nan 0.000 0.530 25 P HA -0.110 nan 4.420 nan 0.000 0.219 25 P C 1.293 178.600 177.300 0.011 0.000 1.146 25 P CA 0.799 63.904 63.100 0.008 0.000 0.808 25 P CB 0.457 32.159 31.700 0.003 0.000 0.779 26 R N -0.054 120.457 120.500 0.018 0.000 2.081 26 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 26 R C 2.648 178.971 176.300 0.039 0.000 1.131 26 R CA 1.293 57.406 56.100 0.021 0.000 0.960 26 R CB -0.413 29.901 30.300 0.024 0.000 0.856 26 R HN 0.208 nan 8.270 nan 0.000 0.436 27 R N -0.382 120.164 120.500 0.077 0.000 2.096 27 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 27 R C 2.225 178.602 176.300 0.128 0.000 1.127 27 R CA 1.694 57.900 56.100 0.176 0.000 0.968 27 R CB -0.343 30.060 30.300 0.172 0.000 0.861 27 R HN 0.184 nan 8.270 nan 0.000 0.440 28 T N 0.815 115.401 114.554 0.054 0.000 2.746 28 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 28 T C 1.959 176.623 174.700 -0.059 0.000 1.039 28 T CA 1.411 63.514 62.100 0.005 0.000 1.142 28 T CB -0.204 68.668 68.868 0.007 0.000 0.866 28 T HN 0.377 nan 8.240 nan 0.000 0.444 29 A N 1.602 124.393 122.820 -0.048 0.000 1.930 29 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 29 A C 2.250 179.756 177.584 -0.130 0.000 1.175 29 A CA 1.754 53.751 52.037 -0.067 0.000 0.627 29 A CB -0.476 18.501 19.000 -0.038 0.000 0.815 29 A HN 0.315 nan 8.150 nan 0.000 0.443 30 R N -0.295 120.105 120.500 -0.167 0.000 2.092 30 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 30 R C 1.858 177.809 176.300 -0.581 0.000 1.119 30 R CA 1.605 57.527 56.100 -0.297 0.000 0.970 30 R CB -0.827 29.331 30.300 -0.236 0.000 0.864 30 R HN 0.437 nan 8.270 nan 0.000 0.440 31 L N -0.206 120.596 121.223 -0.702 0.000 2.046 31 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 31 L C 1.910 178.466 176.870 -0.524 0.000 1.077 31 L CA 1.601 55.919 54.840 -0.870 0.000 0.747 31 L CB -0.587 41.157 42.059 -0.524 0.000 0.896 31 L HN 0.072 nan 8.230 nan 0.000 0.432 32 V N 0.462 120.203 119.914 -0.288 0.000 2.295 32 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 32 V C 2.453 178.483 176.094 -0.107 0.000 1.049 32 V CA 1.964 64.188 62.300 -0.126 0.000 1.024 32 V CB -0.831 30.953 31.823 -0.065 0.000 0.648 32 V HN 0.545 nan 8.190 nan 0.000 0.447 33 N N 0.071 118.686 118.700 -0.141 0.000 2.120 33 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 33 N C 1.805 177.257 175.510 -0.096 0.000 1.024 33 N CA 1.412 54.409 53.050 -0.087 0.000 0.852 33 N CB -0.426 38.009 38.487 -0.086 0.000 1.003 33 N HN 0.340 nan 8.380 nan 0.000 0.424 34 V N 1.910 121.692 119.914 -0.221 0.000 2.255 34 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 34 V C 2.495 178.544 176.094 -0.074 0.000 1.051 34 V CA 1.905 64.087 62.300 -0.198 0.000 1.018 34 V CB -1.008 30.587 31.823 -0.379 0.000 0.641 34 V HN 0.294 nan 8.190 nan 0.000 0.445 35 A N -0.170 122.589 122.820 -0.102 0.000 1.940 35 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 35 A C 2.401 180.174 177.584 0.315 0.000 1.176 35 A CA 2.224 54.331 52.037 0.117 0.000 0.631 35 A CB -0.742 18.332 19.000 0.124 0.000 0.814 35 A HN 0.599 nan 8.150 nan 0.000 0.446 36 A N 0.334 123.297 122.820 0.238 0.000 1.898 36 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 36 A C 2.232 179.964 177.584 0.247 0.000 1.181 36 A CA 1.740 53.951 52.037 0.290 0.000 0.620 36 A CB -0.687 18.427 19.000 0.191 0.000 0.819 36 A HN 0.799 nan 8.150 nan 0.000 0.442 37 Q N -0.160 119.755 119.800 0.190 0.000 2.079 37 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 37 Q C 1.984 178.152 176.000 0.281 0.000 0.974 37 Q CA 1.640 57.585 55.803 0.238 0.000 0.840 37 Q CB -0.639 28.193 28.738 0.157 0.000 0.898 37 Q HN 0.573 nan 8.270 nan 0.000 0.430 38 L N 1.032 122.373 121.223 0.197 0.000 2.046 38 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 38 L C 2.807 179.778 176.870 0.169 0.000 1.077 38 L CA 1.147 56.095 54.840 0.181 0.000 0.747 38 L CB -0.779 41.364 42.059 0.140 0.000 0.896 38 L HN 0.362 nan 8.230 nan 0.000 0.432 39 A N 0.202 123.126 122.820 0.174 0.000 1.902 39 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 39 A C 2.429 180.066 177.584 0.088 0.000 1.181 39 A CA 1.987 54.038 52.037 0.023 0.000 0.623 39 A CB -0.452 18.505 19.000 -0.072 0.000 0.818 39 A HN 0.372 nan 8.150 nan 0.000 0.443 40 K N -1.631 118.870 120.400 0.169 0.000 2.097 40 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 40 K C -0.062 176.533 176.600 -0.009 0.000 1.050 40 K CA 1.117 57.460 56.287 0.094 0.000 0.938 40 K CB -0.205 32.288 32.500 -0.012 0.000 0.718 40 K HN 0.499 nan 8.250 nan 0.000 0.442 41 Y N 1.797 122.221 120.300 0.208 0.000 2.845 41 Y HA 0.237 4.787 4.550 -0.000 0.000 0.385 41 Y C -0.250 175.740 175.900 0.150 0.000 1.133 41 Y CA -0.625 57.604 58.100 0.216 0.000 1.660 41 Y CB 0.391 38.934 38.460 0.138 0.000 1.683 41 Y HN -0.102 nan 8.280 nan 0.000 0.503 42 S N 0.924 116.705 115.700 0.134 0.000 2.593 42 S HA 0.180 4.650 4.470 -0.000 0.000 0.300 42 S C 1.402 175.957 174.600 -0.074 0.000 1.267 42 S CA 1.179 59.246 58.200 -0.222 0.000 1.065 42 S CB 0.161 62.748 63.200 -1.022 0.000 0.807 42 S HN 1.032 nan 8.310 nan 0.000 0.499 43 G N 2.857 111.631 108.800 -0.043 0.000 2.205 43 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.261 43 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.261 43 G C 0.080 175.033 174.900 0.087 0.000 0.980 43 G CA 0.441 45.556 45.100 0.025 0.000 0.632 43 G HN 0.607 nan 8.290 nan 0.000 0.533 44 K N 0.706 121.185 120.400 0.130 0.000 2.177 44 K HA 0.618 4.938 4.320 -0.000 0.000 0.238 44 K C 0.972 177.623 176.600 0.085 0.000 1.015 44 K CA 0.056 56.418 56.287 0.125 0.000 0.922 44 K CB 1.072 33.677 32.500 0.175 0.000 1.127 44 K HN 0.460 nan 8.250 nan 0.000 0.469 45 S N -0.364 115.372 115.700 0.059 0.000 2.593 45 S HA 0.121 4.591 4.470 -0.000 0.000 0.269 45 S C 1.494 176.100 174.600 0.010 0.000 1.334 45 S CA -0.533 57.694 58.200 0.044 0.000 1.015 45 S CB 0.258 63.489 63.200 0.052 0.000 0.912 45 S HN 0.557 nan 8.310 nan 0.000 0.541 46 I N 1.314 121.876 120.570 -0.013 0.000 2.151 46 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 46 I C 2.732 178.807 176.117 -0.071 0.000 1.080 46 I CA 1.748 62.985 61.300 -0.104 0.000 1.339 46 I CB -0.926 36.872 38.000 -0.336 0.000 1.039 46 I HN 0.769 nan 8.210 nan 0.000 0.409 47 T N 1.020 115.586 114.554 0.020 0.000 2.652 47 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 47 T C 1.918 176.579 174.700 -0.066 0.000 1.039 47 T CA 1.562 63.679 62.100 0.030 0.000 1.153 47 T CB -0.315 68.605 68.868 0.086 0.000 0.863 47 T HN 0.250 nan 8.240 nan 0.000 0.428 48 I N 1.694 122.208 120.570 -0.093 0.000 2.264 48 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 48 I C 2.756 178.574 176.117 -0.498 0.000 1.111 48 I CA 1.464 62.637 61.300 -0.211 0.000 1.382 48 I CB -0.399 37.524 38.000 -0.128 0.000 1.060 48 I HN 0.343 nan 8.210 nan 0.000 0.418 49 S N -0.389 115.089 115.700 -0.369 0.000 2.442 49 S HA -0.130 4.340 4.470 -0.000 0.000 0.236 49 S C 1.877 176.323 174.600 -0.256 0.000 1.007 49 S CA 1.404 59.379 58.200 -0.375 0.000 0.965 49 S CB -0.413 62.782 63.200 -0.009 0.000 0.773 49 S HN 0.351 nan 8.310 nan 0.000 0.504 50 S N 1.355 116.945 115.700 -0.183 0.000 2.561 50 S HA 0.095 4.565 4.470 -0.000 0.000 0.225 50 S C 0.279 174.834 174.600 -0.075 0.000 0.977 50 S CA 0.352 58.500 58.200 -0.086 0.000 0.926 50 S CB -0.518 62.657 63.200 -0.041 0.000 0.769 50 S HN 0.687 nan 8.310 nan 0.000 0.533 51 E N 0.054 120.161 120.200 -0.155 0.000 2.269 51 E HA -0.245 4.105 4.350 -0.000 0.000 0.223 51 E C 0.823 177.408 176.600 -0.026 0.000 1.244 51 E CA 0.206 56.561 56.400 -0.075 0.000 0.713 51 E CB -2.100 27.616 29.700 0.026 0.000 1.178 51 E HN 0.695 nan 8.360 nan 0.000 0.370 52 G N 0.158 108.937 108.800 -0.035 0.000 2.155 52 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.257 52 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.257 52 G C 0.196 175.098 174.900 0.003 0.000 0.983 52 G CA 0.662 45.756 45.100 -0.010 0.000 0.676 52 G HN 0.665 nan 8.290 nan 0.000 0.528 53 S N -0.294 115.408 115.700 0.004 0.000 2.430 53 S HA 0.541 5.011 4.470 -0.000 0.000 0.289 53 S C 1.494 176.105 174.600 0.020 0.000 1.143 53 S CA 0.511 58.719 58.200 0.013 0.000 1.067 53 S CB 1.258 64.468 63.200 0.016 0.000 0.964 53 S HN 0.515 nan 8.310 nan 0.000 0.485 54 K N 5.660 126.073 120.400 0.022 0.000 2.032 54 K HA -0.022 4.298 4.320 -0.000 0.000 0.209 54 K C 2.054 178.675 176.600 0.036 0.000 1.048 54 K CA 2.095 58.400 56.287 0.030 0.000 0.927 54 K CB -0.812 31.703 32.500 0.025 0.000 0.712 54 K HN 0.704 nan 8.250 nan 0.000 0.441 55 A N 0.581 123.418 122.820 0.028 0.000 1.908 55 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 55 A C 2.407 180.008 177.584 0.027 0.000 1.181 55 A CA 2.214 54.268 52.037 0.028 0.000 0.627 55 A CB -1.169 17.843 19.000 0.021 0.000 0.818 55 A HN 0.495 nan 8.150 nan 0.000 0.445 56 A N -0.974 121.858 122.820 0.020 0.000 1.969 56 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 56 A C 2.197 179.787 177.584 0.011 0.000 1.169 56 A CA 1.680 53.722 52.037 0.008 0.000 0.635 56 A CB -0.489 18.514 19.000 0.004 0.000 0.810 56 A HN 0.695 nan 8.150 nan 0.000 0.445 57 Q N -0.541 119.280 119.800 0.036 0.000 2.049 57 Q HA -0.228 4.112 4.340 -0.000 0.000 0.198 57 Q C 1.975 178.063 176.000 0.146 0.000 0.971 57 Q CA 1.833 57.681 55.803 0.075 0.000 0.833 57 Q CB -0.172 28.631 28.738 0.109 0.000 0.896 57 Q HN 0.615 nan 8.270 nan 0.000 0.434 58 E N -0.219 120.054 120.200 0.122 0.000 2.110 58 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 58 E C 1.763 178.436 176.600 0.121 0.000 0.988 58 E CA 1.624 58.105 56.400 0.134 0.000 0.804 58 E CB -0.611 29.137 29.700 0.082 0.000 0.745 58 E HN 0.534 nan 8.360 nan 0.000 0.458 59 G N 0.174 109.017 108.800 0.072 0.000 2.421 59 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 59 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 59 G C 1.689 176.622 174.900 0.056 0.000 1.171 59 G CA 1.041 46.174 45.100 0.055 0.000 0.775 59 G HN 0.436 nan 8.290 nan 0.000 0.543 60 A N 0.113 122.930 122.820 -0.005 0.000 1.877 60 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 60 A C 2.237 179.797 177.584 -0.040 0.000 1.186 60 A CA 1.557 53.547 52.037 -0.078 0.000 0.620 60 A CB -0.709 18.169 19.000 -0.204 0.000 0.822 60 A HN 0.442 nan 8.150 nan 0.000 0.443 61 Y N -0.475 119.870 120.300 0.074 0.000 2.200 61 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 61 Y C 2.751 178.695 175.900 0.073 0.000 1.137 61 Y CA 1.662 59.802 58.100 0.067 0.000 1.163 61 Y CB -0.178 38.305 38.460 0.039 0.000 0.988 61 Y HN 0.199 nan 8.280 nan 0.000 0.518 62 R N -0.871 119.762 120.500 0.222 0.000 2.091 62 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 62 R C 2.132 178.516 176.300 0.139 0.000 1.136 62 R CA 1.929 58.117 56.100 0.147 0.000 0.959 62 R CB -0.648 29.724 30.300 0.120 0.000 0.856 62 R HN 0.343 nan 8.270 nan 0.000 0.437 63 F N 1.797 121.751 119.950 0.006 0.000 2.113 63 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 63 F C 2.065 177.850 175.800 -0.025 0.000 1.103 63 F CA 1.423 59.408 58.000 -0.025 0.000 1.248 63 F CB -0.177 38.789 39.000 -0.055 0.000 0.999 63 F HN -0.064 nan 8.300 nan 0.000 0.475 64 I N 0.008 120.662 120.570 0.140 0.000 2.700 64 I HA -0.159 4.011 4.170 -0.000 0.000 0.261 64 I C 1.661 177.750 176.117 -0.047 0.000 1.219 64 I CA 1.377 62.688 61.300 0.019 0.000 1.463 64 I CB -0.657 37.398 38.000 0.092 0.000 1.092 64 I HN 0.222 nan 8.210 nan 0.000 0.452 65 R N 0.726 121.215 120.500 -0.018 0.000 2.546 65 R HA 0.264 4.604 4.340 -0.000 0.000 0.320 65 R C 0.271 176.524 176.300 -0.078 0.000 1.021 65 R CA -0.412 55.671 56.100 -0.028 0.000 1.088 65 R CB -0.560 29.757 30.300 0.028 0.000 1.278 65 R HN 0.145 nan 8.270 nan 0.000 0.557 66 N N 3.087 121.691 118.700 -0.161 0.000 2.405 66 N HA 0.075 4.814 4.740 -0.000 0.000 0.260 66 N C -1.674 173.736 175.510 -0.166 0.000 1.152 66 N CA -2.081 50.872 53.050 -0.163 0.000 0.948 66 N CB 1.448 39.784 38.487 -0.252 0.000 1.111 66 N HN 0.056 nan 8.380 nan 0.000 0.485 67 P HA -0.018 nan 4.420 nan 0.000 0.234 67 P C -0.171 177.077 177.300 -0.087 0.000 1.167 67 P CA 1.016 64.066 63.100 -0.084 0.000 0.763 67 P CB 0.229 31.899 31.700 -0.051 0.000 0.835 68 N N -1.126 117.515 118.700 -0.098 0.000 2.230 68 N HA 0.102 4.842 4.740 -0.000 0.000 0.202 68 N C -0.440 175.000 175.510 -0.117 0.000 1.119 68 N CA -0.150 52.850 53.050 -0.084 0.000 0.851 68 N CB 0.488 38.940 38.487 -0.059 0.000 0.990 68 N HN -0.071 nan 8.380 nan 0.000 0.497 69 V N 0.773 120.573 119.914 -0.189 0.000 2.398 69 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 69 V C -0.094 175.876 176.094 -0.207 0.000 1.026 69 V CA -0.778 61.377 62.300 -0.243 0.000 0.868 69 V CB 1.534 33.052 31.823 -0.508 0.000 0.982 69 V HN 0.046 nan 8.190 nan 0.000 0.443 70 S N 4.238 119.849 115.700 -0.147 0.000 2.452 70 S HA 0.486 4.956 4.470 -0.000 0.000 0.284 70 S C 1.235 175.747 174.600 -0.146 0.000 1.171 70 S CA 0.025 58.148 58.200 -0.128 0.000 1.064 70 S CB 1.412 64.562 63.200 -0.083 0.000 0.967 70 S HN 0.957 nan 8.310 nan 0.000 0.484 71 A N 4.472 127.174 122.820 -0.196 0.000 1.972 71 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 71 A C 1.981 179.441 177.584 -0.206 0.000 1.169 71 A CA 1.564 53.455 52.037 -0.243 0.000 0.635 71 A CB -0.697 18.057 19.000 -0.410 0.000 0.810 71 A HN 0.931 nan 8.150 nan 0.000 0.446 72 E N -0.417 119.673 120.200 -0.183 0.000 2.085 72 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 72 E C 2.265 178.842 176.600 -0.039 0.000 0.994 72 E CA 0.994 57.327 56.400 -0.112 0.000 0.801 72 E CB -0.217 29.438 29.700 -0.075 0.000 0.743 72 E HN 0.614 nan 8.360 nan 0.000 0.453 73 A N 0.673 123.469 122.820 -0.039 0.000 1.969 73 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 73 A C 2.072 179.666 177.584 0.018 0.000 1.169 73 A CA 0.947 52.979 52.037 -0.009 0.000 0.635 73 A CB -0.437 18.552 19.000 -0.018 0.000 0.810 73 A HN 0.200 nan 8.150 nan 0.000 0.445 74 I N -0.911 119.667 120.570 0.013 0.000 2.252 74 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 74 I C 2.719 178.940 176.117 0.172 0.000 1.102 74 I CA 1.174 62.514 61.300 0.068 0.000 1.385 74 I CB -0.281 37.736 38.000 0.028 0.000 1.064 74 I HN 0.285 nan 8.210 nan 0.000 0.414 75 R N 0.650 121.255 120.500 0.176 0.000 2.092 75 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 75 R C 2.273 178.704 176.300 0.218 0.000 1.119 75 R CA 1.096 57.392 56.100 0.326 0.000 0.970 75 R CB -0.304 30.112 30.300 0.194 0.000 0.864 75 R HN 0.281 nan 8.270 nan 0.000 0.440 76 K N 1.093 121.555 120.400 0.103 0.000 2.026 76 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 76 K C 2.139 178.751 176.600 0.020 0.000 1.048 76 K CA 1.453 57.779 56.287 0.066 0.000 0.929 76 K CB -0.154 32.370 32.500 0.041 0.000 0.713 76 K HN 0.149 nan 8.250 nan 0.000 0.439 77 A N 0.753 123.573 122.820 0.001 0.000 1.873 77 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 77 A C 2.405 179.850 177.584 -0.231 0.000 1.193 77 A CA 2.232 54.229 52.037 -0.067 0.000 0.629 77 A CB -1.553 17.456 19.000 0.015 0.000 0.826 77 A HN 0.580 nan 8.150 nan 0.000 0.447 78 G N -0.989 107.558 108.800 -0.423 0.000 2.432 78 G HA2 0.043 4.003 3.960 -0.000 0.000 0.219 78 G HA3 0.043 4.003 3.960 -0.000 0.000 0.219 78 G C 1.689 176.457 174.900 -0.220 0.000 1.135 78 G CA 1.400 46.013 45.100 -0.811 0.000 0.767 78 G HN 0.864 nan 8.290 nan 0.000 0.550 79 A N 0.349 123.169 122.820 0.000 0.000 1.933 79 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 79 A C 2.342 179.916 177.584 -0.017 0.000 1.175 79 A CA 1.885 53.953 52.037 0.052 0.000 0.628 79 A CB -0.301 18.755 19.000 0.095 0.000 0.814 79 A HN 0.289 nan 8.150 nan 0.000 0.444 80 M N -0.721 118.848 119.600 -0.053 0.000 2.213 80 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 80 M C 2.121 178.370 176.300 -0.084 0.000 1.062 80 M CA 1.817 57.082 55.300 -0.058 0.000 1.105 80 M CB -1.144 31.423 32.600 -0.056 0.000 1.385 80 M HN 0.637 nan 8.290 nan 0.000 0.417 81 Q N -0.403 119.311 119.800 -0.143 0.000 2.123 81 Q HA -0.084 4.256 4.340 -0.000 0.000 0.199 81 Q C 1.767 177.711 176.000 -0.094 0.000 0.966 81 Q CA 2.187 57.895 55.803 -0.158 0.000 0.845 81 Q CB -0.394 28.178 28.738 -0.276 0.000 0.907 81 Q HN 0.464 nan 8.270 nan 0.000 0.439 82 T N -0.046 114.467 114.554 -0.069 0.000 2.684 82 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 82 T C 1.767 176.464 174.700 -0.004 0.000 1.036 82 T CA 1.547 63.633 62.100 -0.023 0.000 1.148 82 T CB -0.446 68.416 68.868 -0.010 0.000 0.863 82 T HN 0.131 nan 8.240 nan 0.000 0.436 83 V N 1.571 121.479 119.914 -0.011 0.000 2.287 83 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 83 V C 2.497 178.587 176.094 -0.005 0.000 1.053 83 V CA 1.964 64.264 62.300 -0.001 0.000 1.027 83 V CB -0.589 31.230 31.823 -0.006 0.000 0.646 83 V HN 0.465 nan 8.190 nan 0.000 0.447 84 K N -0.043 120.341 120.400 -0.027 0.000 2.020 84 K HA -0.211 4.109 4.320 -0.000 0.000 0.212 84 K C 2.103 178.688 176.600 -0.025 0.000 1.050 84 K CA 1.895 58.161 56.287 -0.035 0.000 0.929 84 K CB -0.314 32.153 32.500 -0.056 0.000 0.714 84 K HN 0.409 nan 8.250 nan 0.000 0.443 85 L N 0.385 121.605 121.223 -0.005 0.000 2.083 85 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 85 L C 2.585 179.516 176.870 0.100 0.000 1.083 85 L CA 1.148 56.011 54.840 0.039 0.000 0.752 85 L CB -0.587 41.521 42.059 0.082 0.000 0.899 85 L HN 0.307 nan 8.230 nan 0.000 0.433 86 A N -0.362 122.529 122.820 0.119 0.000 2.076 86 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 86 A C 2.203 179.851 177.584 0.107 0.000 1.160 86 A CA 1.302 53.458 52.037 0.197 0.000 0.653 86 A CB -0.427 18.641 19.000 0.114 0.000 0.801 86 A HN 0.538 nan 8.150 nan 0.000 0.455 87 Q N -0.695 119.102 119.800 -0.006 0.000 2.234 87 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 87 Q C 1.894 177.803 176.000 -0.152 0.000 0.980 87 Q CA 1.415 57.184 55.803 -0.057 0.000 0.869 87 Q CB -0.187 28.510 28.738 -0.067 0.000 0.912 87 Q HN 0.872 nan 8.270 nan 0.000 0.436 88 E N 0.071 120.069 120.200 -0.337 0.000 2.347 88 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 88 E C -0.594 175.505 176.600 -0.835 0.000 1.008 88 E CA 0.167 56.168 56.400 -0.665 0.000 0.852 88 E CB 0.290 29.467 29.700 -0.871 0.000 0.783 88 E HN 0.141 nan 8.360 nan 0.000 0.505 89 F N -0.279 119.645 119.950 -0.043 0.000 2.495 89 F HA 0.316 4.843 4.527 0.000 0.000 0.327 89 F C -1.535 174.238 175.800 -0.046 0.000 1.103 89 F CA -2.545 55.425 58.000 -0.051 0.000 0.949 89 F CB 1.445 40.408 39.000 -0.061 0.000 1.142 89 F HN -0.172 nan 8.300 nan 0.000 0.457 90 P HA -0.072 nan 4.420 nan 0.000 0.225 90 P C -0.372 176.955 177.300 0.046 0.000 1.156 90 P CA 1.016 64.147 63.100 0.051 0.000 0.787 90 P CB 0.556 32.270 31.700 0.023 0.000 0.802 91 E N -0.477 119.754 120.200 0.051 0.000 2.290 91 E HA 0.545 4.895 4.350 -0.000 0.000 0.274 91 E C -1.537 175.056 176.600 -0.013 0.000 0.889 91 E CA -0.639 55.766 56.400 0.009 0.000 0.760 91 E CB 1.234 30.919 29.700 -0.026 0.000 1.206 91 E HN -0.143 nan 8.360 nan 0.000 0.419 92 L N 3.565 124.784 121.223 -0.007 0.000 2.371 92 L HA 0.558 4.898 4.340 -0.000 0.000 0.262 92 L C -0.951 175.912 176.870 -0.011 0.000 1.006 92 L CA -0.864 53.957 54.840 -0.031 0.000 0.818 92 L CB 1.793 43.850 42.059 -0.004 0.000 1.354 92 L HN 0.449 nan 8.230 nan 0.000 0.415 93 L N 1.994 123.207 121.223 -0.018 0.000 2.305 93 L HA 0.668 5.008 4.340 -0.000 0.000 0.284 93 L C -0.105 176.776 176.870 0.019 0.000 1.013 93 L CA -0.641 54.214 54.840 0.025 0.000 0.819 93 L CB 1.754 43.845 42.059 0.053 0.000 1.227 93 L HN 0.694 nan 8.230 nan 0.000 0.417 94 A N 5.657 128.506 122.820 0.048 0.000 2.478 94 A HA 0.499 4.819 4.320 -0.000 0.000 0.327 94 A C -0.064 177.553 177.584 0.056 0.000 1.431 94 A CA -0.544 51.518 52.037 0.041 0.000 1.014 94 A CB -0.185 18.853 19.000 0.063 0.000 1.143 94 A HN 0.482 nan 8.150 nan 0.000 0.532 95 I N 1.663 122.237 120.570 0.007 0.000 2.496 95 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 95 I C 0.601 176.713 176.117 -0.007 0.000 1.080 95 I CA 0.356 61.657 61.300 0.002 0.000 1.404 95 I CB 0.464 38.429 38.000 -0.057 0.000 1.403 95 I HN 0.756 nan 8.210 nan 0.000 0.539 96 E N 4.712 124.951 120.200 0.066 0.000 2.246 96 E HA 0.523 4.873 4.350 -0.000 0.000 0.266 96 E C -1.752 174.895 176.600 0.078 0.000 0.880 96 E CA -0.432 55.983 56.400 0.026 0.000 0.762 96 E CB 1.983 31.780 29.700 0.162 0.000 1.180 96 E HN 0.631 nan 8.360 nan 0.000 0.416 97 D N 1.395 121.716 120.400 -0.131 0.000 2.639 97 D HA 0.383 5.023 4.640 -0.000 0.000 0.271 97 D C -1.574 174.744 176.300 0.031 0.000 1.254 97 D CA -0.213 53.832 54.000 0.075 0.000 0.810 97 D CB 2.297 43.219 40.800 0.203 0.000 1.351 97 D HN 0.292 nan 8.370 nan 0.000 0.427 98 T N 0.657 115.342 114.554 0.218 0.000 2.855 98 T HA 0.688 5.038 4.350 -0.000 0.000 0.281 98 T C -0.495 174.238 174.700 0.054 0.000 1.007 98 T CA -0.470 61.763 62.100 0.221 0.000 1.009 98 T CB 1.706 70.746 68.868 0.287 0.000 0.983 98 T HN 0.278 nan 8.240 nan 0.000 0.455 99 T N 0.873 115.369 114.554 -0.096 0.000 2.838 99 T HA 0.715 5.065 4.350 -0.000 0.000 0.292 99 T C -0.869 173.664 174.700 -0.279 0.000 1.113 99 T CA -0.637 61.266 62.100 -0.328 0.000 1.008 99 T CB 1.316 69.638 68.868 -0.909 0.000 1.259 99 T HN 0.728 nan 8.240 nan 0.000 0.520 100 S N 1.270 116.665 115.700 -0.508 0.000 2.621 100 S HA 0.797 5.266 4.470 -0.000 0.000 0.302 100 S C -1.033 173.147 174.600 -0.699 0.000 1.093 100 S CA -0.899 56.781 58.200 -0.868 0.000 1.017 100 S CB 0.940 63.343 63.200 -1.329 0.000 1.077 100 S HN 0.616 nan 8.310 nan 0.000 0.517 101 L N 1.982 122.818 121.223 -0.646 0.000 2.316 101 L HA 0.559 4.899 4.340 -0.000 0.000 0.280 101 L C -0.029 176.564 176.870 -0.463 0.000 1.006 101 L CA -0.475 54.052 54.840 -0.522 0.000 0.836 101 L CB 1.736 43.629 42.059 -0.278 0.000 1.221 101 L HN 0.743 nan 8.230 nan 0.000 0.418 102 S N 2.564 117.851 115.700 -0.689 0.000 2.451 102 S HA 0.734 5.204 4.470 -0.000 0.000 0.301 102 S C -1.144 172.893 174.600 -0.938 0.000 1.116 102 S CA -0.224 57.596 58.200 -0.633 0.000 1.093 102 S CB 0.501 63.419 63.200 -0.470 0.000 1.017 102 S HN 0.346 nan 8.310 nan 0.000 0.482 103 Y N 2.197 122.393 120.300 -0.173 0.000 2.553 103 Y HA 0.537 5.087 4.550 -0.000 0.000 0.347 103 Y C 0.859 176.685 175.900 -0.123 0.000 1.019 103 Y CA -0.948 57.094 58.100 -0.097 0.000 1.032 103 Y CB 1.893 40.283 38.460 -0.116 0.000 1.284 103 Y HN 0.598 nan 8.280 nan 0.000 0.466 104 R N -0.305 120.262 120.500 0.111 0.000 2.541 104 R HA 0.112 4.452 4.340 -0.000 0.000 0.332 104 R C 0.088 176.422 176.300 0.056 0.000 0.951 104 R CA -0.296 55.822 56.100 0.029 0.000 1.136 104 R CB 0.381 30.690 30.300 0.015 0.000 1.449 104 R HN 0.677 nan 8.270 nan 0.000 0.531 105 H N 0.253 119.350 119.070 0.045 0.000 2.344 105 H HA 0.119 4.675 4.556 -0.000 0.000 0.333 105 H C 0.869 176.193 175.328 -0.008 0.000 1.607 105 H CA -0.365 55.694 56.048 0.019 0.000 1.455 105 H CB 0.540 30.320 29.762 0.030 0.000 1.716 105 H HN -0.172 nan 8.280 nan 0.000 0.646 106 Q N -0.163 119.649 119.800 0.020 0.000 2.133 106 Q HA -0.154 4.186 4.340 -0.000 0.000 0.208 106 Q C 2.163 178.056 176.000 -0.180 0.000 0.991 106 Q CA 2.311 58.076 55.803 -0.063 0.000 0.867 106 Q CB -0.603 28.135 28.738 0.001 0.000 0.911 106 Q HN 0.517 nan 8.270 nan 0.000 0.417 107 V N 0.235 119.955 119.914 -0.323 0.000 2.688 107 V HA -0.222 3.898 4.120 -0.000 0.000 0.256 107 V C 1.973 177.864 176.094 -0.338 0.000 1.084 107 V CA 1.750 63.858 62.300 -0.320 0.000 1.103 107 V CB -0.869 30.735 31.823 -0.364 0.000 0.688 107 V HN 0.562 nan 8.190 nan 0.000 0.480 108 A N -0.470 122.128 122.820 -0.371 0.000 2.032 108 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 108 A C 1.946 179.403 177.584 -0.211 0.000 1.165 108 A CA 2.117 53.988 52.037 -0.277 0.000 0.645 108 A CB -0.532 18.351 19.000 -0.196 0.000 0.807 108 A HN 0.673 nan 8.150 nan 0.000 0.453 109 E N -0.290 119.808 120.200 -0.171 0.000 2.204 109 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 109 E C 1.561 178.082 176.600 -0.131 0.000 0.989 109 E CA 1.192 57.517 56.400 -0.125 0.000 0.824 109 E CB -0.050 29.595 29.700 -0.092 0.000 0.756 109 E HN 0.757 nan 8.360 nan 0.000 0.477 110 E N -0.373 119.728 120.200 -0.165 0.000 2.474 110 E HA 0.103 4.453 4.350 -0.000 0.000 0.195 110 E C 0.045 176.514 176.600 -0.220 0.000 1.039 110 E CA -0.156 56.153 56.400 -0.153 0.000 0.881 110 E CB 0.407 30.029 29.700 -0.129 0.000 0.970 110 E HN 0.185 nan 8.360 nan 0.000 0.486 111 L N -0.666 120.377 121.223 -0.299 0.000 2.492 111 L HA 0.490 4.830 4.340 -0.000 0.000 0.263 111 L C 0.946 177.633 176.870 -0.304 0.000 1.062 111 L CA -1.012 53.559 54.840 -0.448 0.000 0.817 111 L CB 0.515 42.176 42.059 -0.664 0.000 1.441 111 L HN -0.074 nan 8.230 nan 0.000 0.493 112 G N -0.554 108.044 108.800 -0.336 0.000 2.511 112 G HA2 0.329 4.289 3.960 -0.000 0.000 0.316 112 G HA3 0.329 4.289 3.960 -0.000 0.000 0.316 112 G C -1.084 173.750 174.900 -0.109 0.000 1.210 112 G CA -0.542 44.469 45.100 -0.148 0.000 0.969 112 G HN 0.504 nan 8.290 nan 0.000 0.492 113 K N -0.163 120.245 120.400 0.013 0.000 2.326 113 K HA 0.324 4.644 4.320 -0.000 0.000 0.275 113 K C 0.276 176.958 176.600 0.135 0.000 1.018 113 K CA -0.295 56.022 56.287 0.050 0.000 0.962 113 K CB 0.509 33.059 32.500 0.082 0.000 0.953 113 K HN 0.373 nan 8.250 nan 0.000 0.475 114 L N 2.192 123.456 121.223 0.069 0.000 2.730 114 L HA 0.264 4.604 4.340 -0.000 0.000 0.236 114 L C 1.154 178.146 176.870 0.203 0.000 1.061 114 L CA 0.152 55.056 54.840 0.107 0.000 0.898 114 L CB 0.794 42.720 42.059 -0.222 0.000 1.270 114 L HN 0.903 nan 8.230 nan 0.000 0.500 115 G N -0.220 108.635 108.800 0.091 0.000 3.244 115 G HA2 0.231 4.191 3.960 -0.000 0.000 0.197 115 G HA3 0.231 4.191 3.960 -0.000 0.000 0.197 115 G C -0.198 174.739 174.900 0.061 0.000 1.531 115 G CA 0.523 45.670 45.100 0.079 0.000 0.747 115 G HN 0.126 nan 8.290 nan 0.000 0.763 116 S N -0.353 115.367 115.700 0.033 0.000 2.632 116 S HA 0.336 4.806 4.470 -0.000 0.000 0.267 116 S C 1.429 176.040 174.600 0.019 0.000 1.276 116 S CA -0.521 57.694 58.200 0.025 0.000 0.998 116 S CB 1.219 64.428 63.200 0.015 0.000 0.953 116 S HN 0.356 nan 8.310 nan 0.000 0.547 117 I N 0.942 121.522 120.570 0.017 0.000 2.423 117 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 117 I C 2.476 178.593 176.117 -0.001 0.000 1.151 117 I CA 1.456 62.762 61.300 0.011 0.000 1.421 117 I CB -0.462 37.545 38.000 0.011 0.000 1.079 117 I HN 0.746 nan 8.210 nan 0.000 0.431 118 Q N 0.389 120.188 119.800 -0.002 0.000 2.398 118 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 118 Q C 0.346 176.337 176.000 -0.015 0.000 0.932 118 Q CA 0.064 55.862 55.803 -0.008 0.000 0.916 118 Q CB 0.225 28.960 28.738 -0.006 0.000 1.024 118 Q HN 0.407 nan 8.270 nan 0.000 0.504 119 K N 0.536 120.927 120.400 -0.014 0.000 2.561 119 K HA -0.033 4.287 4.320 -0.000 0.000 0.280 119 K C 0.789 177.368 176.600 -0.036 0.000 0.975 119 K CA 0.113 56.386 56.287 -0.023 0.000 1.024 119 K CB 0.546 33.032 32.500 -0.023 0.000 0.883 119 K HN 0.105 nan 8.250 nan 0.000 0.496 120 A N 2.591 125.387 122.820 -0.039 0.000 1.970 120 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 120 A C 0.685 178.230 177.584 -0.065 0.000 1.170 120 A CA 0.727 52.736 52.037 -0.046 0.000 0.645 120 A CB 0.187 19.166 19.000 -0.035 0.000 0.816 120 A HN 0.570 nan 8.150 nan 0.000 0.447 121 S N 0.715 116.372 115.700 -0.073 0.000 2.455 121 S HA 0.493 4.963 4.470 -0.000 0.000 0.278 121 S C 0.212 174.735 174.600 -0.128 0.000 1.216 121 S CA -0.156 57.982 58.200 -0.104 0.000 1.055 121 S CB 0.314 63.442 63.200 -0.119 0.000 0.939 121 S HN 0.511 nan 8.310 nan 0.000 0.494 122 R N 1.047 121.458 120.500 -0.148 0.000 2.905 122 R HA 0.866 5.206 4.340 -0.000 0.000 0.260 122 R C 0.398 176.556 176.300 -0.237 0.000 1.086 122 R CA -0.814 55.172 56.100 -0.191 0.000 0.978 122 R CB 1.914 32.107 30.300 -0.178 0.000 1.215 122 R HN 0.750 nan 8.270 nan 0.000 0.480 123 G N -0.279 108.310 108.800 -0.352 0.000 2.534 123 G HA2 0.111 4.071 3.960 -0.000 0.000 0.142 123 G HA3 0.111 4.071 3.960 -0.000 0.000 0.142 123 G C -1.813 172.742 174.900 -0.576 0.000 1.178 123 G CA -0.751 44.083 45.100 -0.443 0.000 1.037 123 G HN 0.330 nan 8.290 nan 0.000 0.474 124 W N -0.575 120.481 121.300 -0.407 0.000 2.820 124 W HA 0.657 5.317 4.660 -0.000 0.000 0.350 124 W C -1.258 174.668 176.519 -0.989 0.000 1.116 124 W CA -0.931 56.085 57.345 -0.548 0.000 1.146 124 W CB 1.822 31.072 29.460 -0.349 0.000 1.433 124 W HN 0.475 nan 8.180 nan 0.000 0.561 125 W N 1.037 121.979 121.300 -0.598 0.000 2.478 125 W HA 0.503 5.162 4.660 -0.000 0.000 0.318 125 W C -0.635 175.307 176.519 -0.962 0.000 1.062 125 W CA -0.584 56.203 57.345 -0.931 0.000 1.210 125 W CB 1.393 29.930 29.460 -1.539 0.000 1.325 125 W HN -0.281 nan 8.180 nan 0.000 0.496 126 V N 3.171 122.833 119.914 -0.419 0.000 2.482 126 V HA 0.134 4.254 4.120 -0.000 0.000 0.295 126 V C -0.999 175.104 176.094 0.015 0.000 1.026 126 V CA -0.957 61.153 62.300 -0.317 0.000 0.856 126 V CB 1.196 32.676 31.823 -0.573 0.000 1.001 126 V HN 0.430 nan 8.190 nan 0.000 0.424 127 H N 2.817 121.935 119.070 0.080 0.000 2.594 127 H HA 0.670 5.226 4.556 -0.000 0.000 0.304 127 H C -0.114 175.239 175.328 0.042 0.000 1.068 127 H CA 0.227 56.328 56.048 0.088 0.000 1.308 127 H CB 1.156 31.001 29.762 0.138 0.000 1.409 127 H HN 0.669 nan 8.280 nan 0.000 0.460 128 S N 3.363 118.893 115.700 -0.283 0.000 2.568 128 S HA 0.556 5.026 4.470 -0.000 0.000 0.302 128 S C -0.935 173.512 174.600 -0.256 0.000 1.082 128 S CA -0.841 57.231 58.200 -0.212 0.000 1.009 128 S CB 1.871 65.000 63.200 -0.118 0.000 1.069 128 S HN 0.406 nan 8.310 nan 0.000 0.500 129 V N 2.841 122.669 119.914 -0.143 0.000 2.407 129 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 129 V C -1.019 174.965 176.094 -0.183 0.000 1.018 129 V CA -0.567 61.672 62.300 -0.101 0.000 0.842 129 V CB 1.281 33.116 31.823 0.019 0.000 0.996 129 V HN 0.691 nan 8.190 nan 0.000 0.426 130 L N 5.999 127.091 121.223 -0.218 0.000 2.298 130 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 130 L C -0.705 176.069 176.870 -0.161 0.000 1.013 130 L CA -0.213 54.459 54.840 -0.279 0.000 0.824 130 L CB 1.356 43.167 42.059 -0.413 0.000 1.221 130 L HN 0.603 nan 8.230 nan 0.000 0.418 131 L N 5.784 126.922 121.223 -0.142 0.000 2.305 131 L HA 0.548 4.888 4.340 -0.000 0.000 0.281 131 L C -0.879 175.921 176.870 -0.117 0.000 1.085 131 L CA 0.247 55.030 54.840 -0.096 0.000 0.813 131 L CB 0.838 42.857 42.059 -0.067 0.000 1.157 131 L HN 0.544 nan 8.230 nan 0.000 0.436 132 L N 3.098 124.257 121.223 -0.106 0.000 2.354 132 L HA 0.566 4.906 4.340 -0.000 0.000 0.264 132 L C -0.687 176.049 176.870 -0.224 0.000 1.008 132 L CA -1.170 53.588 54.840 -0.138 0.000 0.819 132 L CB 1.994 44.029 42.059 -0.040 0.000 1.339 132 L HN 0.526 nan 8.230 nan 0.000 0.420 133 E N 0.625 120.586 120.200 -0.400 0.000 2.227 133 E HA 0.414 4.764 4.350 -0.000 0.000 0.282 133 E C 0.235 176.584 176.600 -0.418 0.000 1.015 133 E CA -0.501 55.553 56.400 -0.577 0.000 0.823 133 E CB 1.671 30.558 29.700 -1.354 0.000 1.081 133 E HN 0.597 nan 8.360 nan 0.000 0.396 134 A N 3.056 125.679 122.820 -0.328 0.000 2.235 134 A HA -0.028 4.292 4.320 -0.000 0.000 0.208 134 A C 1.366 178.549 177.584 -0.669 0.000 1.172 134 A CA 1.078 52.882 52.037 -0.387 0.000 0.786 134 A CB -0.619 18.279 19.000 -0.169 0.000 0.804 134 A HN 0.684 nan 8.150 nan 0.000 0.479 135 T N -0.727 113.494 114.554 -0.555 0.000 2.925 135 T HA -0.038 4.312 4.350 -0.000 0.000 0.245 135 T C 1.864 176.157 174.700 -0.678 0.000 1.025 135 T CA 1.658 63.456 62.100 -0.504 0.000 1.149 135 T CB -0.397 68.333 68.868 -0.229 0.000 0.866 135 T HN 0.631 nan 8.240 nan 0.000 0.437 136 T N -0.792 113.448 114.554 -0.523 0.000 3.054 136 T HA 0.312 4.662 4.350 -0.000 0.000 0.255 136 T C 0.652 175.241 174.700 -0.185 0.000 1.035 136 T CA -0.452 61.452 62.100 -0.327 0.000 0.941 136 T CB -0.755 68.046 68.868 -0.113 0.000 1.026 136 T HN 0.329 nan 8.240 nan 0.000 0.533 137 F N 0.657 120.490 119.950 -0.195 0.000 3.034 137 F HA -0.215 4.312 4.527 -0.000 0.000 0.286 137 F C 0.753 176.466 175.800 -0.145 0.000 0.804 137 F CA -0.195 57.676 58.000 -0.216 0.000 1.161 137 F CB -1.983 36.848 39.000 -0.282 0.000 1.317 137 F HN 0.201 nan 8.300 nan 0.000 0.453 138 R N 0.275 120.727 120.500 -0.081 0.000 2.679 138 R HA 0.342 4.682 4.340 -0.000 0.000 0.269 138 R C 0.503 176.733 176.300 -0.117 0.000 1.076 138 R CA 0.101 56.156 56.100 -0.075 0.000 1.160 138 R CB 0.397 30.630 30.300 -0.111 0.000 1.054 138 R HN -0.034 nan 8.270 nan 0.000 0.507 139 T N 1.640 116.143 114.554 -0.086 0.000 2.779 139 T HA 0.073 4.423 4.350 -0.000 0.000 0.296 139 T C 1.493 176.120 174.700 -0.121 0.000 0.938 139 T CA -0.443 61.593 62.100 -0.108 0.000 1.119 139 T CB 1.027 69.835 68.868 -0.100 0.000 0.891 139 T HN 0.296 nan 8.240 nan 0.000 0.526 140 V N 2.497 122.329 119.914 -0.137 0.000 2.426 140 V HA 0.427 4.547 4.120 -0.000 0.000 0.242 140 V C 1.416 177.474 176.094 -0.060 0.000 1.036 140 V CA 1.314 63.557 62.300 -0.093 0.000 1.044 140 V CB -0.879 30.886 31.823 -0.097 0.000 0.688 140 V HN 1.162 nan 8.190 nan 0.000 0.462 141 G N -1.096 107.644 108.800 -0.100 0.000 2.356 141 G HA2 0.228 4.188 3.960 -0.000 0.000 0.300 141 G HA3 0.228 4.188 3.960 -0.000 0.000 0.300 141 G C -1.496 173.307 174.900 -0.161 0.000 1.331 141 G CA -0.965 44.075 45.100 -0.100 0.000 0.905 141 G HN 0.122 nan 8.290 nan 0.000 0.587 142 L N 0.256 121.369 121.223 -0.182 0.000 2.397 142 L HA 0.385 4.725 4.340 -0.000 0.000 0.271 142 L C 1.360 178.186 176.870 -0.073 0.000 1.148 142 L CA -0.532 54.160 54.840 -0.246 0.000 0.825 142 L CB 1.245 43.063 42.059 -0.402 0.000 1.117 142 L HN 0.526 nan 8.230 nan 0.000 0.456 143 L N 2.250 123.437 121.223 -0.061 0.000 2.537 143 L HA 0.268 4.608 4.340 -0.000 0.000 0.224 143 L C -0.159 176.783 176.870 0.120 0.000 1.065 143 L CA 0.609 55.464 54.840 0.025 0.000 0.860 143 L CB 0.104 42.173 42.059 0.016 0.000 1.086 143 L HN 0.750 nan 8.230 nan 0.000 0.482 144 H N -0.826 118.218 119.070 -0.043 0.000 3.094 144 H HA 0.532 5.088 4.556 -0.000 0.000 0.335 144 H C -1.681 173.648 175.328 0.002 0.000 1.254 144 H CA -0.612 55.440 56.048 0.006 0.000 1.240 144 H CB 0.821 30.595 29.762 0.021 0.000 1.936 144 H HN 0.099 nan 8.280 nan 0.000 0.536 145 Q N 2.423 121.920 119.800 -0.504 0.000 2.305 145 Q HA 0.241 4.581 4.340 -0.000 0.000 0.271 145 Q C -1.372 174.404 176.000 -0.372 0.000 1.046 145 Q CA -0.876 54.711 55.803 -0.360 0.000 0.798 145 Q CB 3.050 31.847 28.738 0.098 0.000 1.286 145 Q HN 0.670 nan 8.270 nan 0.000 0.435 146 E N 2.564 122.695 120.200 -0.115 0.000 2.165 146 E HA 0.357 4.707 4.350 -0.000 0.000 0.266 146 E C -1.528 175.391 176.600 0.531 0.000 0.889 146 E CA -0.555 55.992 56.400 0.245 0.000 0.756 146 E CB 0.948 30.864 29.700 0.360 0.000 1.131 146 E HN 0.356 nan 8.360 nan 0.000 0.411 147 W N 5.113 126.533 121.300 0.200 0.000 2.551 147 W HA 0.548 5.208 4.660 -0.000 0.000 0.330 147 W C -0.841 175.927 176.519 0.415 0.000 1.063 147 W CA -0.557 56.883 57.345 0.159 0.000 1.222 147 W CB 0.781 30.167 29.460 -0.123 0.000 1.349 147 W HN 0.500 nan 8.180 nan 0.000 0.536 148 W N 2.286 123.884 121.300 0.495 0.000 3.146 148 W HA 0.712 5.372 4.660 -0.000 0.000 0.319 148 W C -1.939 174.872 176.519 0.487 0.000 1.258 148 W CA -1.567 56.046 57.345 0.447 0.000 1.189 148 W CB 0.736 30.363 29.460 0.279 0.000 1.412 148 W HN 0.118 nan 8.180 nan 0.000 0.567 149 M N 4.016 123.905 119.600 0.481 0.000 2.129 149 M HA 0.366 4.845 4.480 -0.000 0.000 0.348 149 M C 0.187 176.733 176.300 0.410 0.000 1.116 149 M CA -0.836 54.604 55.300 0.234 0.000 1.022 149 M CB 1.670 34.332 32.600 0.103 0.000 1.599 149 M HN 0.597 nan 8.290 nan 0.000 0.449 150 R N 4.928 125.661 120.500 0.389 0.000 2.340 150 R HA 0.389 4.729 4.340 -0.000 0.000 0.300 150 R C -2.523 173.914 176.300 0.229 0.000 1.069 150 R CA -1.241 55.115 56.100 0.426 0.000 0.984 150 R CB 0.623 31.210 30.300 0.477 0.000 1.003 150 R HN 0.266 nan 8.270 nan 0.000 0.459 151 P HA 0.088 nan 4.420 nan 0.000 0.274 151 P C -0.506 176.843 177.300 0.082 0.000 1.237 151 P CA -0.300 62.863 63.100 0.105 0.000 0.793 151 P CB 0.756 32.507 31.700 0.085 0.000 0.977 152 D N -0.595 119.836 120.400 0.053 0.000 2.144 152 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 152 D C 0.316 176.640 176.300 0.039 0.000 0.984 152 D CA 1.758 55.782 54.000 0.041 0.000 0.834 152 D CB -0.234 40.579 40.800 0.023 0.000 0.955 152 D HN 0.405 nan 8.370 nan 0.000 0.465 153 D N -1.181 119.240 120.400 0.036 0.000 2.349 153 D HA 0.145 4.785 4.640 -0.000 0.000 0.232 153 D C -1.856 174.463 176.300 0.032 0.000 1.071 153 D CA -2.393 51.624 54.000 0.029 0.000 0.832 153 D CB 1.952 42.765 40.800 0.021 0.000 1.086 153 D HN -0.200 nan 8.370 nan 0.000 0.504 154 P HA -0.186 nan 4.420 nan 0.000 0.216 154 P C 1.057 178.367 177.300 0.016 0.000 1.154 154 P CA 1.573 64.687 63.100 0.023 0.000 0.865 154 P CB 0.143 31.852 31.700 0.014 0.000 0.789 155 A N -0.069 122.759 122.820 0.014 0.000 1.986 155 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 155 A C 1.799 179.391 177.584 0.013 0.000 1.171 155 A CA 2.116 54.159 52.037 0.010 0.000 0.640 155 A CB -1.293 17.712 19.000 0.009 0.000 0.811 155 A HN 0.140 nan 8.150 nan 0.000 0.451 156 D N -0.050 120.362 120.400 0.020 0.000 2.355 156 D HA 0.247 4.887 4.640 -0.000 0.000 0.218 156 D C 0.929 177.245 176.300 0.028 0.000 1.004 156 D CA 0.785 54.800 54.000 0.024 0.000 0.880 156 D CB -0.374 40.444 40.800 0.030 0.000 0.911 156 D HN 0.457 nan 8.370 nan 0.000 0.528 157 A N 0.790 123.624 122.820 0.024 0.000 2.540 157 A HA 0.283 4.603 4.320 -0.000 0.000 0.239 157 A C 1.452 179.035 177.584 -0.001 0.000 1.061 157 A CA 0.756 52.804 52.037 0.017 0.000 0.758 157 A CB -0.010 18.991 19.000 0.001 0.000 0.991 157 A HN 0.294 nan 8.150 nan 0.000 0.502 158 D N 1.601 121.998 120.400 -0.005 0.000 2.269 158 D HA 0.238 4.878 4.640 -0.000 0.000 0.208 158 D C 0.568 176.844 176.300 -0.040 0.000 0.963 158 D CA 1.543 55.536 54.000 -0.013 0.000 0.864 158 D CB -0.327 40.472 40.800 -0.001 0.000 0.936 158 D HN 0.905 nan 8.370 nan 0.000 0.505 159 E N -2.776 117.380 120.200 -0.073 0.000 2.417 159 E HA 0.336 4.686 4.350 -0.000 0.000 0.280 159 E C -1.423 175.098 176.600 -0.133 0.000 1.112 159 E CA -1.037 55.306 56.400 -0.095 0.000 0.863 159 E CB 0.708 30.340 29.700 -0.113 0.000 1.346 159 E HN -0.153 nan 8.360 nan 0.000 0.443 160 K N 1.312 121.641 120.400 -0.119 0.000 2.401 160 K HA 0.078 4.397 4.320 -0.000 0.000 0.278 160 K C 0.593 177.063 176.600 -0.218 0.000 1.018 160 K CA 0.263 56.472 56.287 -0.129 0.000 0.981 160 K CB 0.580 33.027 32.500 -0.088 0.000 0.933 160 K HN 0.585 nan 8.250 nan 0.000 0.477 161 E N 0.734 120.788 120.200 -0.244 0.000 2.265 161 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 161 E C 1.464 177.885 176.600 -0.297 0.000 0.996 161 E CA 1.201 57.370 56.400 -0.386 0.000 0.832 161 E CB 0.052 29.579 29.700 -0.288 0.000 0.756 161 E HN 0.641 nan 8.360 nan 0.000 0.491 162 S N 0.402 116.019 115.700 -0.137 0.000 2.465 162 S HA -0.104 4.366 4.470 -0.000 0.000 0.241 162 S C 2.022 176.618 174.600 -0.006 0.000 1.000 162 S CA 0.870 59.065 58.200 -0.007 0.000 0.964 162 S CB -0.448 62.762 63.200 0.017 0.000 0.763 162 S HN 0.324 nan 8.310 nan 0.000 0.512 163 G N 2.693 111.418 108.800 -0.124 0.000 2.679 163 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.212 163 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.212 163 G C 1.371 176.165 174.900 -0.176 0.000 1.137 163 G CA 0.566 45.605 45.100 -0.101 0.000 0.787 163 G HN 0.769 nan 8.290 nan 0.000 0.534 164 K N -0.170 119.993 120.400 -0.395 0.000 2.074 164 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 164 K C 1.998 178.258 176.600 -0.566 0.000 1.048 164 K CA 1.430 57.333 56.287 -0.641 0.000 0.926 164 K CB -0.595 31.251 32.500 -1.090 0.000 0.713 164 K HN 0.460 nan 8.250 nan 0.000 0.444 165 W N 1.613 122.698 121.300 -0.358 0.000 2.355 165 W HA -0.020 4.640 4.660 -0.000 0.000 0.309 165 W C 2.308 178.792 176.519 -0.059 0.000 1.206 165 W CA 0.429 57.576 57.345 -0.330 0.000 1.284 165 W CB -0.536 28.404 29.460 -0.866 0.000 1.145 165 W HN -0.053 nan 8.180 nan 0.000 0.502 166 L N 0.108 121.465 121.223 0.222 0.000 2.093 166 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 166 L C 2.632 179.551 176.870 0.081 0.000 1.085 166 L CA 1.324 56.293 54.840 0.215 0.000 0.755 166 L CB -1.108 41.045 42.059 0.156 0.000 0.904 166 L HN 0.027 nan 8.230 nan 0.000 0.435 167 A N -0.227 122.604 122.820 0.019 0.000 2.014 167 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 167 A C 2.514 180.050 177.584 -0.080 0.000 1.163 167 A CA 1.330 53.363 52.037 -0.007 0.000 0.652 167 A CB -0.551 18.456 19.000 0.011 0.000 0.808 167 A HN 0.364 nan 8.150 nan 0.000 0.449 168 A N 0.033 122.820 122.820 -0.056 0.000 1.933 168 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 168 A C 2.460 179.935 177.584 -0.182 0.000 1.175 168 A CA 1.893 53.770 52.037 -0.265 0.000 0.628 168 A CB -0.880 18.163 19.000 0.072 0.000 0.814 168 A HN 0.961 nan 8.150 nan 0.000 0.444 169 A N -0.134 122.695 122.820 0.015 0.000 1.898 169 A HA 0.199 4.519 4.320 -0.000 0.000 0.216 169 A C 2.490 180.023 177.584 -0.085 0.000 1.181 169 A CA 1.936 53.983 52.037 0.017 0.000 0.620 169 A CB -0.963 18.096 19.000 0.100 0.000 0.819 169 A HN 1.019 nan 8.150 nan 0.000 0.442 170 A N -1.017 121.750 122.820 -0.088 0.000 1.902 170 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 170 A C 2.294 179.830 177.584 -0.081 0.000 1.181 170 A CA 2.284 54.267 52.037 -0.089 0.000 0.623 170 A CB -1.180 17.792 19.000 -0.047 0.000 0.818 170 A HN 0.420 nan 8.150 nan 0.000 0.443 171 T N -0.009 114.467 114.554 -0.131 0.000 2.777 171 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 171 T C 2.285 176.936 174.700 -0.082 0.000 1.040 171 T CA 1.549 63.582 62.100 -0.111 0.000 1.141 171 T CB -0.271 68.496 68.868 -0.168 0.000 0.868 171 T HN 0.511 nan 8.240 nan 0.000 0.444 172 S N 1.868 117.500 115.700 -0.115 0.000 2.353 172 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 172 S C 2.179 176.766 174.600 -0.023 0.000 1.035 172 S CA 1.535 59.705 58.200 -0.049 0.000 1.025 172 S CB -0.360 62.822 63.200 -0.031 0.000 0.902 172 S HN 0.668 nan 8.310 nan 0.000 0.440 173 R N 1.396 121.874 120.500 -0.036 0.000 2.091 173 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 173 R C 2.283 178.582 176.300 -0.003 0.000 1.136 173 R CA 1.682 57.769 56.100 -0.021 0.000 0.959 173 R CB -0.723 29.546 30.300 -0.053 0.000 0.856 173 R HN 0.426 nan 8.270 nan 0.000 0.437 174 L N 0.684 121.902 121.223 -0.008 0.000 2.156 174 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 174 L C 2.199 179.074 176.870 0.010 0.000 1.095 174 L CA 1.343 56.187 54.840 0.007 0.000 0.770 174 L CB -0.064 41.999 42.059 0.008 0.000 0.914 174 L HN 0.076 nan 8.230 nan 0.000 0.439 175 R N -1.323 119.182 120.500 0.009 0.000 2.127 175 R HA 0.092 4.432 4.340 -0.000 0.000 0.217 175 R C 1.900 178.207 176.300 0.011 0.000 1.074 175 R CA 1.063 57.171 56.100 0.014 0.000 0.991 175 R CB -0.157 30.157 30.300 0.022 0.000 0.895 175 R HN 0.334 nan 8.270 nan 0.000 0.450 176 M N 0.044 119.651 119.600 0.011 0.000 2.506 176 M HA 0.133 4.613 4.480 -0.000 0.000 0.260 176 M C 1.367 177.675 176.300 0.015 0.000 1.104 176 M CA 0.760 56.069 55.300 0.014 0.000 1.112 176 M CB -0.599 32.012 32.600 0.018 0.000 1.401 176 M HN 0.293 nan 8.290 nan 0.000 0.473 177 G N 1.960 110.769 108.800 0.015 0.000 2.652 177 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.318 177 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.318 177 G C 0.935 175.847 174.900 0.020 0.000 1.295 177 G CA 1.770 46.880 45.100 0.018 0.000 0.999 177 G HN 0.534 nan 8.290 nan 0.000 0.548 178 S N -0.170 115.539 115.700 0.016 0.000 2.493 178 S HA -0.042 4.428 4.470 -0.000 0.000 0.243 178 S C 2.261 176.871 174.600 0.017 0.000 0.991 178 S CA 2.268 60.478 58.200 0.016 0.000 0.957 178 S CB -0.260 62.946 63.200 0.010 0.000 0.756 178 S HN 0.558 nan 8.310 nan 0.000 0.521 179 M N -0.278 119.333 119.600 0.017 0.000 2.558 179 M HA 0.244 4.724 4.480 -0.000 0.000 0.255 179 M C 2.012 178.328 176.300 0.027 0.000 1.113 179 M CA 0.478 55.791 55.300 0.021 0.000 1.097 179 M CB -0.434 32.180 32.600 0.023 0.000 1.426 179 M HN 0.318 nan 8.290 nan 0.000 0.488 180 M N 1.163 120.780 119.600 0.028 0.000 2.195 180 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 180 M C 2.287 178.609 176.300 0.037 0.000 1.066 180 M CA 1.997 57.317 55.300 0.033 0.000 1.089 180 M CB -0.379 32.241 32.600 0.034 0.000 1.377 180 M HN 0.348 nan 8.290 nan 0.000 0.411 181 S N -0.958 114.762 115.700 0.033 0.000 2.442 181 S HA -0.136 4.334 4.470 -0.000 0.000 0.236 181 S C 1.375 175.990 174.600 0.025 0.000 1.007 181 S CA 1.627 59.845 58.200 0.030 0.000 0.965 181 S CB -1.131 62.083 63.200 0.024 0.000 0.773 181 S HN 0.754 nan 8.310 nan 0.000 0.504 182 N N 0.405 119.121 118.700 0.026 0.000 2.336 182 N HA 0.207 4.947 4.740 -0.000 0.000 0.189 182 N C -0.806 174.721 175.510 0.027 0.000 1.113 182 N CA -0.115 52.950 53.050 0.025 0.000 0.858 182 N CB 0.559 39.065 38.487 0.031 0.000 0.970 182 N HN 0.195 nan 8.380 nan 0.000 0.471 183 V N 2.022 121.957 119.914 0.034 0.000 2.465 183 V HA 0.313 4.433 4.120 -0.000 0.000 0.279 183 V C -0.046 176.080 176.094 0.053 0.000 1.045 183 V CA -0.374 61.951 62.300 0.041 0.000 0.938 183 V CB 1.505 33.356 31.823 0.046 0.000 0.986 183 V HN 0.102 nan 8.190 nan 0.000 0.467 184 I N 4.141 124.747 120.570 0.060 0.000 2.411 184 I HA 0.546 4.716 4.170 -0.000 0.000 0.284 184 I C 0.478 176.668 176.117 0.123 0.000 1.012 184 I CA -0.506 60.843 61.300 0.081 0.000 1.119 184 I CB 1.657 39.693 38.000 0.061 0.000 1.261 184 I HN 0.663 nan 8.210 nan 0.000 0.448 185 A N 6.780 129.711 122.820 0.185 0.000 2.454 185 A HA 0.563 4.883 4.320 -0.000 0.000 0.260 185 A C -0.215 177.529 177.584 0.267 0.000 1.106 185 A CA -0.159 52.022 52.037 0.240 0.000 0.780 185 A CB 0.216 19.405 19.000 0.315 0.000 1.044 185 A HN 0.492 nan 8.150 nan 0.000 0.498 186 V N 2.696 122.745 119.914 0.225 0.000 2.376 186 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 186 V C -0.346 175.889 176.094 0.235 0.000 1.015 186 V CA -0.551 61.882 62.300 0.222 0.000 0.834 186 V CB 0.525 32.431 31.823 0.138 0.000 1.001 186 V HN 1.008 nan 8.190 nan 0.000 0.428 187 C N 3.189 122.661 119.300 0.286 0.000 2.797 187 C HA 0.678 5.138 4.460 -0.000 0.000 0.306 187 C C -0.026 175.110 174.990 0.243 0.000 1.207 187 C CA -1.034 58.130 59.018 0.244 0.000 1.507 187 C CB 1.649 29.439 27.740 0.084 0.000 2.028 187 C HN 0.985 nan 8.230 nan 0.000 0.475 188 D N 0.766 121.293 120.400 0.211 0.000 2.414 188 D HA 0.186 4.826 4.640 -0.000 0.000 0.251 188 D C 0.992 177.287 176.300 -0.008 0.000 1.252 188 D CA -0.582 53.536 54.000 0.196 0.000 0.999 188 D CB 0.540 41.475 40.800 0.225 0.000 1.093 188 D HN 0.502 nan 8.370 nan 0.000 0.515 189 R N -0.595 119.896 120.500 -0.016 0.000 2.185 189 R HA -0.175 4.165 4.340 -0.000 0.000 0.247 189 R C 1.845 178.045 176.300 -0.167 0.000 1.159 189 R CA 1.391 57.424 56.100 -0.113 0.000 0.988 189 R CB -0.330 29.912 30.300 -0.097 0.000 0.871 189 R HN 0.605 nan 8.270 nan 0.000 0.458 190 E N 0.370 120.512 120.200 -0.096 0.000 2.267 190 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 190 E C 1.377 177.720 176.600 -0.428 0.000 0.998 190 E CA 0.967 57.327 56.400 -0.067 0.000 0.830 190 E CB 0.042 29.889 29.700 0.245 0.000 0.751 190 E HN 0.422 nan 8.360 nan 0.000 0.491 191 A N 0.914 123.227 122.820 -0.844 0.000 2.238 191 A HA -0.068 4.252 4.320 -0.000 0.000 0.208 191 A C 0.903 178.150 177.584 -0.561 0.000 1.177 191 A CA 0.087 51.333 52.037 -1.319 0.000 0.804 191 A CB 0.092 18.068 19.000 -1.706 0.000 0.823 191 A HN 0.030 nan 8.150 nan 0.000 0.482 192 D N 1.193 121.404 120.400 -0.315 0.000 2.662 192 D HA 0.195 4.835 4.640 -0.000 0.000 0.228 192 D C -0.564 175.731 176.300 -0.007 0.000 1.093 192 D CA 0.263 54.196 54.000 -0.112 0.000 1.075 192 D CB -0.727 40.012 40.800 -0.103 0.000 1.122 192 D HN 0.405 nan 8.370 nan 0.000 0.475 193 I N 2.358 122.875 120.570 -0.088 0.000 2.410 193 I HA 0.140 4.309 4.170 -0.000 0.000 0.286 193 I C 1.264 177.328 176.117 -0.088 0.000 1.009 193 I CA -0.976 60.263 61.300 -0.102 0.000 1.111 193 I CB 1.655 39.564 38.000 -0.151 0.000 1.262 193 I HN 0.195 nan 8.210 nan 0.000 0.443 194 H N 4.812 123.883 119.070 0.002 0.000 2.421 194 H HA -0.085 4.471 4.556 -0.000 0.000 0.298 194 H C 1.876 177.197 175.328 -0.011 0.000 1.087 194 H CA 1.563 57.605 56.048 -0.010 0.000 1.330 194 H CB -0.124 29.633 29.762 -0.007 0.000 1.388 194 H HN 0.613 nan 8.280 nan 0.000 0.526 195 A N 0.612 123.233 122.820 -0.332 0.000 1.933 195 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 195 A C 2.313 179.894 177.584 -0.006 0.000 1.175 195 A CA 1.489 53.468 52.037 -0.096 0.000 0.628 195 A CB -1.235 17.691 19.000 -0.123 0.000 0.814 195 A HN 0.600 nan 8.150 nan 0.000 0.444 196 Y N 0.732 120.946 120.300 -0.144 0.000 2.145 196 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 196 Y C 1.968 177.754 175.900 -0.190 0.000 1.145 196 Y CA 1.707 59.725 58.100 -0.137 0.000 1.148 196 Y CB -0.411 37.937 38.460 -0.187 0.000 0.981 196 Y HN 0.226 nan 8.280 nan 0.000 0.507 197 L N -0.172 120.869 121.223 -0.304 0.000 2.042 197 L HA -0.305 4.035 4.340 -0.000 0.000 0.210 197 L C 2.558 179.263 176.870 -0.275 0.000 1.076 197 L CA 1.843 56.413 54.840 -0.450 0.000 0.749 197 L CB -0.817 41.111 42.059 -0.218 0.000 0.893 197 L HN 0.294 nan 8.230 nan 0.000 0.432 198 Q N -0.193 119.542 119.800 -0.109 0.000 2.061 198 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 198 Q C 1.887 177.871 176.000 -0.027 0.000 0.984 198 Q CA 2.126 57.912 55.803 -0.028 0.000 0.846 198 Q CB -0.164 28.594 28.738 0.033 0.000 0.902 198 Q HN 0.449 nan 8.270 nan 0.000 0.421 199 D N 0.163 120.531 120.400 -0.053 0.000 2.097 199 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 199 D C 1.716 178.029 176.300 0.021 0.000 0.989 199 D CA 1.107 55.119 54.000 0.020 0.000 0.827 199 D CB 0.227 41.023 40.800 -0.006 0.000 0.966 199 D HN -0.034 nan 8.370 nan 0.000 0.456 200 K N 0.068 120.342 120.400 -0.209 0.000 2.026 200 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 200 K C 2.399 179.041 176.600 0.071 0.000 1.048 200 K CA 0.611 56.816 56.287 -0.137 0.000 0.929 200 K CB -0.674 31.619 32.500 -0.345 0.000 0.713 200 K HN 0.319 nan 8.250 nan 0.000 0.439 201 L N 0.738 121.993 121.223 0.053 0.000 2.017 201 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 201 L C 2.631 179.552 176.870 0.085 0.000 1.073 201 L CA 1.346 56.258 54.840 0.120 0.000 0.745 201 L CB -0.771 41.360 42.059 0.119 0.000 0.894 201 L HN 0.105 nan 8.230 nan 0.000 0.432 202 A N -0.376 122.484 122.820 0.067 0.000 1.948 202 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 202 A C 1.808 179.366 177.584 -0.044 0.000 1.177 202 A CA 1.934 53.979 52.037 0.012 0.000 0.636 202 A CB -0.879 18.127 19.000 0.009 0.000 0.815 202 A HN 0.515 nan 8.150 nan 0.000 0.449 203 H N -0.679 118.396 119.070 0.008 0.000 2.533 203 H HA 0.168 4.724 4.556 -0.000 0.000 0.271 203 H C 0.318 175.660 175.328 0.023 0.000 1.000 203 H CA 0.351 56.407 56.048 0.013 0.000 1.149 203 H CB -0.022 29.747 29.762 0.012 0.000 1.375 203 H HN 0.462 nan 8.280 nan 0.000 0.582 204 N N 1.293 120.063 118.700 0.116 0.000 2.725 204 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 204 N C -0.843 174.730 175.510 0.104 0.000 1.103 204 N CA 0.767 53.870 53.050 0.088 0.000 0.707 204 N CB -0.867 37.651 38.487 0.052 0.000 1.043 204 N HN 0.639 nan 8.380 nan 0.000 0.553 205 E N 0.139 120.424 120.200 0.142 0.000 2.250 205 E HA 0.376 4.726 4.350 -0.000 0.000 0.269 205 E C 0.163 176.866 176.600 0.172 0.000 1.018 205 E CA -0.602 55.878 56.400 0.133 0.000 0.873 205 E CB 1.196 30.963 29.700 0.112 0.000 1.134 205 E HN 0.140 nan 8.360 nan 0.000 0.403 206 R N 1.398 121.970 120.500 0.120 0.000 2.486 206 R HA 0.593 4.933 4.340 -0.000 0.000 0.286 206 R C -0.622 175.784 176.300 0.176 0.000 0.999 206 R CA -0.495 55.629 56.100 0.040 0.000 0.993 206 R CB 0.579 30.864 30.300 -0.024 0.000 1.084 206 R HN 0.433 nan 8.270 nan 0.000 0.487 207 F N -2.576 117.391 119.950 0.029 0.000 2.770 207 F HA 0.573 5.100 4.527 -0.000 0.000 0.313 207 F C -1.745 174.090 175.800 0.059 0.000 1.154 207 F CA -1.302 56.730 58.000 0.054 0.000 0.923 207 F CB 1.116 40.134 39.000 0.030 0.000 1.301 207 F HN 0.125 nan 8.300 nan 0.000 0.449 208 V N 2.578 122.695 119.914 0.339 0.000 2.462 208 V HA 0.613 4.733 4.120 -0.000 0.000 0.288 208 V C -1.129 175.135 176.094 0.284 0.000 1.020 208 V CA -0.621 61.825 62.300 0.243 0.000 0.857 208 V CB 1.345 33.277 31.823 0.183 0.000 1.013 208 V HN 0.797 nan 8.190 nan 0.000 0.431 209 V N 4.836 124.884 119.914 0.222 0.000 2.487 209 V HA 0.518 4.638 4.120 -0.000 0.000 0.298 209 V C 0.253 176.264 176.094 -0.139 0.000 1.028 209 V CA -0.834 61.510 62.300 0.072 0.000 0.860 209 V CB 2.068 33.932 31.823 0.069 0.000 0.991 209 V HN 0.871 nan 8.190 nan 0.000 0.427 210 R N 2.599 122.921 120.500 -0.296 0.000 2.543 210 R HA 0.386 4.726 4.340 -0.000 0.000 0.277 210 R C 0.374 176.554 176.300 -0.200 0.000 1.074 210 R CA 0.069 55.913 56.100 -0.426 0.000 1.076 210 R CB 0.895 30.881 30.300 -0.524 0.000 0.993 210 R HN 0.824 nan 8.270 nan 0.000 0.459 211 S N 2.288 117.905 115.700 -0.137 0.000 2.562 211 S HA 0.157 4.627 4.470 -0.000 0.000 0.275 211 S C 0.434 174.972 174.600 -0.104 0.000 1.281 211 S CA -0.500 57.654 58.200 -0.076 0.000 1.045 211 S CB 1.555 64.755 63.200 0.001 0.000 0.962 211 S HN 0.836 nan 8.310 nan 0.000 0.503 212 K N 2.243 122.530 120.400 -0.187 0.000 2.353 212 K HA 0.160 4.480 4.320 -0.000 0.000 0.206 212 K C -0.006 176.418 176.600 -0.294 0.000 1.191 212 K CA -0.133 55.970 56.287 -0.306 0.000 0.897 212 K CB -0.077 32.088 32.500 -0.557 0.000 1.283 212 K HN 0.794 nan 8.250 nan 0.000 0.477 213 H N 2.239 121.308 119.070 -0.002 0.000 2.511 213 H HA 0.186 4.742 4.556 -0.000 0.000 0.346 213 H C -2.282 173.050 175.328 0.008 0.000 1.128 213 H CA -2.242 53.806 56.048 0.000 0.000 1.342 213 H CB 0.677 30.452 29.762 0.023 0.000 1.470 213 H HN 0.204 nan 8.280 nan 0.000 0.546 214 P HA 0.183 nan 4.420 nan 0.000 0.275 214 P C -0.228 177.205 177.300 0.223 0.000 1.276 214 P CA -0.017 63.088 63.100 0.008 0.000 0.782 214 P CB 0.602 32.127 31.700 -0.292 0.000 0.851 215 R N 2.528 123.204 120.500 0.293 0.000 2.778 215 R HA 0.510 4.850 4.340 -0.000 0.000 0.277 215 R C 0.197 176.679 176.300 0.302 0.000 0.977 215 R CA -1.032 55.227 56.100 0.265 0.000 0.950 215 R CB 2.155 32.558 30.300 0.172 0.000 1.165 215 R HN 0.353 nan 8.270 nan 0.000 0.474 216 K N 1.287 121.762 120.400 0.125 0.000 2.138 216 K HA 0.121 4.441 4.320 -0.000 0.000 0.263 216 K C -0.931 175.656 176.600 -0.023 0.000 0.965 216 K CA -0.651 55.627 56.287 -0.015 0.000 0.868 216 K CB 1.629 34.039 32.500 -0.150 0.000 1.083 216 K HN 0.549 nan 8.250 nan 0.000 0.443 217 D N 2.027 122.392 120.400 -0.058 0.000 2.347 217 D HA 0.059 4.699 4.640 -0.000 0.000 0.235 217 D C 1.013 177.225 176.300 -0.146 0.000 1.149 217 D CA -0.359 53.571 54.000 -0.117 0.000 0.850 217 D CB 0.984 41.628 40.800 -0.261 0.000 1.061 217 D HN 0.142 nan 8.370 nan 0.000 0.487 218 V N 3.963 123.811 119.914 -0.110 0.000 2.282 218 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 218 V C 2.230 178.260 176.094 -0.107 0.000 1.057 218 V CA 1.862 64.104 62.300 -0.096 0.000 1.032 218 V CB -0.626 31.156 31.823 -0.069 0.000 0.645 218 V HN 0.704 nan 8.190 nan 0.000 0.447 219 E N 0.415 120.538 120.200 -0.130 0.000 2.031 219 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 219 E C 2.340 178.865 176.600 -0.124 0.000 0.994 219 E CA 1.853 58.182 56.400 -0.117 0.000 0.800 219 E CB -0.163 29.474 29.700 -0.104 0.000 0.752 219 E HN 0.758 nan 8.360 nan 0.000 0.447 220 S N -1.272 114.309 115.700 -0.199 0.000 2.501 220 S HA 0.122 4.592 4.470 -0.000 0.000 0.220 220 S C 1.629 176.169 174.600 -0.101 0.000 0.997 220 S CA 0.551 58.673 58.200 -0.130 0.000 0.919 220 S CB 0.640 63.752 63.200 -0.147 0.000 0.778 220 S HN 0.414 nan 8.310 nan 0.000 0.523 221 G N 1.058 109.780 108.800 -0.130 0.000 2.166 221 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 221 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 221 G C -0.006 174.810 174.900 -0.140 0.000 0.986 221 G CA 0.794 45.822 45.100 -0.121 0.000 0.683 221 G HN 0.547 nan 8.290 nan 0.000 0.527 222 L N -1.450 119.711 121.223 -0.103 0.000 2.376 222 L HA 0.616 4.956 4.340 -0.000 0.000 0.267 222 L C 0.889 177.725 176.870 -0.056 0.000 1.035 222 L CA -1.563 53.238 54.840 -0.065 0.000 0.800 222 L CB 0.659 42.761 42.059 0.070 0.000 1.290 222 L HN 0.069 nan 8.230 nan 0.000 0.462 223 Y N 0.197 120.552 120.300 0.092 0.000 2.336 223 Y HA 0.043 4.593 4.550 -0.000 0.000 0.331 223 Y C 1.403 177.395 175.900 0.152 0.000 1.211 223 Y CA -0.386 57.781 58.100 0.111 0.000 1.346 223 Y CB 0.717 39.255 38.460 0.129 0.000 1.271 223 Y HN 0.427 nan 8.280 nan 0.000 0.538 224 L N 1.651 123.076 121.223 0.336 0.000 1.991 224 L HA -0.380 3.960 4.340 -0.000 0.000 0.221 224 L C 2.150 179.178 176.870 0.263 0.000 1.079 224 L CA 2.022 57.022 54.840 0.267 0.000 0.778 224 L CB -0.789 41.403 42.059 0.221 0.000 0.893 224 L HN 0.791 nan 8.230 nan 0.000 0.437 225 Y N 1.202 121.596 120.300 0.157 0.000 2.040 225 Y HA -0.359 4.191 4.550 -0.000 0.000 0.275 225 Y C 2.521 178.488 175.900 0.111 0.000 1.171 225 Y CA 2.122 60.287 58.100 0.109 0.000 1.123 225 Y CB -0.447 38.056 38.460 0.072 0.000 0.963 225 Y HN 0.269 nan 8.280 nan 0.000 0.493 226 D N -1.370 119.141 120.400 0.185 0.000 2.104 226 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 226 D C 2.017 178.336 176.300 0.031 0.000 0.994 226 D CA 1.996 56.045 54.000 0.080 0.000 0.830 226 D CB -0.653 40.272 40.800 0.209 0.000 0.959 226 D HN 0.552 nan 8.370 nan 0.000 0.452 227 H N 0.966 120.048 119.070 0.020 0.000 2.387 227 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 227 H C 2.200 177.506 175.328 -0.037 0.000 1.099 227 H CA 1.142 57.189 56.048 -0.001 0.000 1.315 227 H CB -0.411 29.364 29.762 0.022 0.000 1.380 227 H HN 0.071 nan 8.280 nan 0.000 0.513 228 L N 0.042 121.150 121.223 -0.191 0.000 2.109 228 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 228 L C 2.359 179.069 176.870 -0.266 0.000 1.086 228 L CA 1.189 55.881 54.840 -0.246 0.000 0.760 228 L CB -0.247 41.742 42.059 -0.117 0.000 0.910 228 L HN 0.265 nan 8.230 nan 0.000 0.437 229 K N -0.112 120.096 120.400 -0.319 0.000 2.283 229 K HA -0.100 4.220 4.320 -0.000 0.000 0.202 229 K C 1.383 177.876 176.600 -0.178 0.000 1.048 229 K CA 0.813 56.928 56.287 -0.287 0.000 0.948 229 K CB -0.225 32.061 32.500 -0.357 0.000 0.742 229 K HN 0.293 nan 8.250 nan 0.000 0.458 230 N N 0.696 119.290 118.700 -0.177 0.000 2.446 230 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 230 N C 0.252 175.676 175.510 -0.143 0.000 1.054 230 N CA 0.605 53.576 53.050 -0.131 0.000 0.905 230 N CB 0.148 38.570 38.487 -0.109 0.000 0.973 230 N HN 0.131 nan 8.380 nan 0.000 0.448 231 Q N 1.014 120.698 119.800 -0.193 0.000 2.340 231 Q HA 0.281 4.621 4.340 -0.000 0.000 0.249 231 Q C -2.162 173.782 176.000 -0.092 0.000 0.957 231 Q CA -1.882 53.831 55.803 -0.150 0.000 0.882 231 Q CB -0.343 28.295 28.738 -0.166 0.000 1.235 231 Q HN 0.142 nan 8.270 nan 0.000 0.439 232 P HA -0.019 nan 4.420 nan 0.000 0.268 232 P C -0.256 177.024 177.300 -0.034 0.000 1.205 232 P CA -0.080 62.995 63.100 -0.041 0.000 0.771 232 P CB 0.506 32.190 31.700 -0.027 0.000 0.858 233 E N 2.211 122.396 120.200 -0.026 0.000 2.376 233 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 233 E C 0.409 177.008 176.600 -0.001 0.000 1.009 233 E CA -0.194 56.197 56.400 -0.015 0.000 0.902 233 E CB 0.241 29.932 29.700 -0.014 0.000 0.972 233 E HN 0.399 nan 8.360 nan 0.000 0.439 234 L N 3.648 124.878 121.223 0.012 0.000 2.375 234 L HA 0.221 4.561 4.340 -0.000 0.000 0.215 234 L C 1.267 178.155 176.870 0.030 0.000 1.108 234 L CA 0.738 55.591 54.840 0.022 0.000 0.830 234 L CB -0.139 41.940 42.059 0.034 0.000 0.959 234 L HN 0.896 nan 8.230 nan 0.000 0.457 235 G N -1.142 107.678 108.800 0.035 0.000 2.384 235 G HA2 0.325 4.285 3.960 -0.000 0.000 0.113 235 G HA3 0.325 4.285 3.960 -0.000 0.000 0.113 235 G C -0.461 174.471 174.900 0.053 0.000 1.224 235 G CA -0.272 44.851 45.100 0.039 0.000 1.126 235 G HN 0.364 nan 8.290 nan 0.000 0.461 236 G N -1.791 107.062 108.800 0.088 0.000 2.435 236 G HA2 0.830 4.790 3.960 -0.000 0.000 0.296 236 G HA3 0.830 4.790 3.960 -0.000 0.000 0.296 236 G C -1.324 173.714 174.900 0.231 0.000 1.240 236 G CA 0.639 45.804 45.100 0.110 0.000 0.872 236 G HN 2.298 nan 8.290 nan 0.000 0.480 237 Y N -1.970 118.325 120.300 -0.009 0.000 2.677 237 Y HA 0.795 5.345 4.550 -0.000 0.000 0.334 237 Y C -1.131 174.752 175.900 -0.028 0.000 1.196 237 Y CA -1.272 56.822 58.100 -0.012 0.000 1.059 237 Y CB 0.912 39.371 38.460 -0.002 0.000 1.315 237 Y HN 0.611 nan 8.280 nan 0.000 0.455 238 Q N 2.611 122.496 119.800 0.141 0.000 2.345 238 Q HA 0.739 5.079 4.340 -0.000 0.000 0.268 238 Q C -1.146 174.912 176.000 0.097 0.000 1.054 238 Q CA -1.247 54.566 55.803 0.018 0.000 0.835 238 Q CB 3.437 32.180 28.738 0.007 0.000 1.339 238 Q HN 0.779 nan 8.270 nan 0.000 0.447 239 I N -2.182 118.388 120.570 -0.001 0.000 2.545 239 I HA 0.540 4.710 4.170 -0.000 0.000 0.292 239 I C -0.775 175.324 176.117 -0.031 0.000 1.040 239 I CA -0.644 60.658 61.300 0.004 0.000 1.068 239 I CB 2.397 40.390 38.000 -0.012 0.000 1.251 239 I HN 0.282 nan 8.210 nan 0.000 0.424 240 S N 6.830 122.517 115.700 -0.022 0.000 2.399 240 S HA 0.541 5.011 4.470 -0.000 0.000 0.301 240 S C -0.141 174.433 174.600 -0.044 0.000 1.093 240 S CA -0.512 57.671 58.200 -0.028 0.000 1.077 240 S CB -0.096 63.095 63.200 -0.015 0.000 0.980 240 S HN 0.453 nan 8.310 nan 0.000 0.494 241 I N 7.292 127.830 120.570 -0.053 0.000 2.322 241 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 241 I C -2.006 174.081 176.117 -0.050 0.000 1.060 241 I CA -2.136 59.126 61.300 -0.063 0.000 1.309 241 I CB 0.842 38.799 38.000 -0.072 0.000 1.415 241 I HN 0.335 nan 8.210 nan 0.000 0.492 242 P HA 0.055 nan 4.420 nan 0.000 0.276 242 P C -0.728 176.553 177.300 -0.033 0.000 1.244 242 P CA -0.564 62.515 63.100 -0.034 0.000 0.801 242 P CB 0.576 32.258 31.700 -0.029 0.000 1.006 243 Q N 2.008 121.794 119.800 -0.023 0.000 2.421 243 Q HA 0.120 4.460 4.340 -0.000 0.000 0.255 243 Q C -0.434 175.556 176.000 -0.018 0.000 1.013 243 Q CA 0.684 56.475 55.803 -0.019 0.000 0.895 243 Q CB 0.350 29.080 28.738 -0.014 0.000 1.271 243 Q HN 0.646 nan 8.270 nan 0.000 0.460 244 K N -0.124 120.267 120.400 -0.016 0.000 2.625 244 K HA 0.641 4.961 4.320 -0.000 0.000 0.284 244 K C -0.874 175.721 176.600 -0.007 0.000 0.984 244 K CA -0.713 55.568 56.287 -0.011 0.000 0.865 244 K CB 0.323 32.814 32.500 -0.015 0.000 1.468 244 K HN 0.553 nan 8.250 nan 0.000 0.407 245 G N 0.667 109.466 108.800 -0.002 0.000 2.425 245 G HA2 0.582 4.542 3.960 -0.000 0.000 0.302 245 G HA3 0.582 4.542 3.960 -0.000 0.000 0.302 245 G C -1.103 173.798 174.900 0.003 0.000 1.159 245 G CA -0.768 44.332 45.100 -0.001 0.000 0.865 245 G HN 0.334 nan 8.290 nan 0.000 0.515 246 V N 0.577 120.493 119.914 0.003 0.000 2.789 246 V HA 0.600 4.719 4.120 -0.000 0.000 0.311 246 V C -0.514 175.585 176.094 0.009 0.000 1.073 246 V CA -0.593 61.712 62.300 0.007 0.000 0.921 246 V CB 2.180 34.006 31.823 0.005 0.000 1.009 246 V HN 0.646 nan 8.190 nan 0.000 0.426 247 V N 2.588 122.510 119.914 0.013 0.000 2.577 247 V HA 0.484 4.604 4.120 -0.000 0.000 0.303 247 V C -0.507 175.597 176.094 0.016 0.000 1.042 247 V CA -0.870 61.438 62.300 0.013 0.000 0.872 247 V CB 1.722 33.552 31.823 0.012 0.000 0.998 247 V HN 1.008 nan 8.190 nan 0.000 0.423 248 D N 3.697 124.105 120.400 0.013 0.000 2.440 248 D HA 0.224 4.864 4.640 -0.000 0.000 0.269 248 D C 0.961 177.271 176.300 0.016 0.000 1.249 248 D CA -0.499 53.510 54.000 0.016 0.000 1.055 248 D CB 0.789 41.597 40.800 0.013 0.000 1.104 248 D HN 0.392 nan 8.370 nan 0.000 0.561 249 K N -0.704 119.706 120.400 0.017 0.000 2.097 249 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 249 K C 2.019 178.626 176.600 0.011 0.000 1.049 249 K CA 1.063 57.359 56.287 0.016 0.000 0.933 249 K CB -0.148 32.363 32.500 0.018 0.000 0.717 249 K HN 0.321 nan 8.250 nan 0.000 0.442 250 R N -0.353 120.153 120.500 0.010 0.000 2.275 250 R HA 0.031 4.371 4.340 -0.000 0.000 0.199 250 R C 1.145 177.449 176.300 0.006 0.000 0.989 250 R CA 0.635 56.739 56.100 0.007 0.000 1.016 250 R CB 0.285 30.589 30.300 0.007 0.000 0.918 250 R HN 0.430 nan 8.270 nan 0.000 0.473 251 G N 1.460 110.264 108.800 0.007 0.000 2.159 251 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.227 251 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.227 251 G C -0.273 174.630 174.900 0.005 0.000 0.986 251 G CA -0.425 44.679 45.100 0.006 0.000 0.651 251 G HN 0.130 nan 8.290 nan 0.000 0.523 252 K N 0.945 121.348 120.400 0.005 0.000 2.350 252 K HA 0.422 4.742 4.320 -0.000 0.000 0.279 252 K C 0.548 177.151 176.600 0.004 0.000 1.027 252 K CA 0.012 56.301 56.287 0.004 0.000 0.969 252 K CB 0.959 33.461 32.500 0.003 0.000 0.954 252 K HN 0.515 nan 8.250 nan 0.000 0.474 253 R N 1.983 122.485 120.500 0.003 0.000 2.664 253 R HA 0.423 4.763 4.340 -0.000 0.000 0.286 253 R C -0.347 175.954 176.300 0.001 0.000 0.967 253 R CA -0.930 55.171 56.100 0.003 0.000 0.933 253 R CB 1.447 31.748 30.300 0.002 0.000 1.146 253 R HN 0.673 nan 8.270 nan 0.000 0.468 254 K N 0.125 120.525 120.400 0.001 0.000 2.556 254 K HA 0.332 4.652 4.320 -0.000 0.000 0.274 254 K C -1.382 175.216 176.600 -0.002 0.000 0.966 254 K CA -1.109 55.178 56.287 -0.001 0.000 0.865 254 K CB 1.380 33.879 32.500 -0.001 0.000 1.444 254 K HN 0.316 nan 8.250 nan 0.000 0.433 255 N N 0.999 119.696 118.700 -0.005 0.000 2.524 255 N HA 0.178 4.918 4.740 -0.000 0.000 0.283 255 N C -1.127 174.378 175.510 -0.009 0.000 1.142 255 N CA -0.607 52.439 53.050 -0.006 0.000 0.984 255 N CB 1.154 39.636 38.487 -0.007 0.000 1.155 255 N HN 0.599 nan 8.380 nan 0.000 0.467 256 R N 3.694 124.188 120.500 -0.011 0.000 2.363 256 R HA 0.395 4.735 4.340 -0.000 0.000 0.297 256 R C -2.586 173.703 176.300 -0.018 0.000 1.208 256 R CA -1.741 54.350 56.100 -0.016 0.000 1.121 256 R CB 0.697 30.986 30.300 -0.019 0.000 1.124 256 R HN 0.488 nan 8.270 nan 0.000 0.561 257 P HA 0.046 nan 4.420 nan 0.000 0.269 257 P C -0.446 176.841 177.300 -0.023 0.000 1.215 257 P CA -0.110 62.980 63.100 -0.018 0.000 0.780 257 P CB 0.782 32.473 31.700 -0.016 0.000 0.898 258 A N 2.932 125.739 122.820 -0.021 0.000 2.406 258 A HA 0.469 4.789 4.320 -0.000 0.000 0.243 258 A C 0.591 178.159 177.584 -0.027 0.000 1.082 258 A CA 0.204 52.226 52.037 -0.025 0.000 0.786 258 A CB -0.144 18.844 19.000 -0.020 0.000 1.029 258 A HN 0.796 nan 8.150 nan 0.000 0.495 259 R N -0.267 120.214 120.500 -0.033 0.000 2.709 259 R HA 0.500 4.840 4.340 -0.000 0.000 0.270 259 R C -2.004 174.271 176.300 -0.041 0.000 1.038 259 R CA -0.944 55.135 56.100 -0.035 0.000 0.872 259 R CB 0.735 31.012 30.300 -0.038 0.000 1.259 259 R HN 0.378 nan 8.270 nan 0.000 0.473 260 K N 1.286 121.662 120.400 -0.040 0.000 2.240 260 K HA 0.579 4.899 4.320 -0.000 0.000 0.271 260 K C -0.837 175.726 176.600 -0.061 0.000 1.018 260 K CA -0.144 56.117 56.287 -0.044 0.000 0.874 260 K CB 2.068 34.548 32.500 -0.033 0.000 1.098 260 K HN 0.672 nan 8.250 nan 0.000 0.458 261 A N 2.011 124.782 122.820 -0.081 0.000 2.317 261 A HA 0.623 4.943 4.320 -0.000 0.000 0.327 261 A C -0.688 176.807 177.584 -0.148 0.000 1.178 261 A CA -0.648 51.320 52.037 -0.114 0.000 0.817 261 A CB 0.812 19.729 19.000 -0.140 0.000 1.189 261 A HN 0.596 nan 8.150 nan 0.000 0.489 262 S N 1.389 116.997 115.700 -0.153 0.000 2.437 262 S HA 0.648 5.118 4.470 -0.000 0.000 0.305 262 S C -0.753 173.697 174.600 -0.250 0.000 1.109 262 S CA -0.354 57.737 58.200 -0.181 0.000 1.099 262 S CB 0.740 63.872 63.200 -0.114 0.000 1.004 262 S HN 0.501 nan 8.310 nan 0.000 0.475 263 L N 2.577 123.560 121.223 -0.400 0.000 2.346 263 L HA 0.609 4.949 4.340 -0.000 0.000 0.274 263 L C 0.435 177.123 176.870 -0.305 0.000 1.007 263 L CA -0.385 54.185 54.840 -0.450 0.000 0.818 263 L CB 2.018 43.529 42.059 -0.913 0.000 1.284 263 L HN 0.736 nan 8.230 nan 0.000 0.424 264 S N 1.971 117.572 115.700 -0.165 0.000 2.617 264 S HA 0.809 5.279 4.470 -0.000 0.000 0.283 264 S C -0.763 173.830 174.600 -0.012 0.000 1.189 264 S CA -0.677 57.480 58.200 -0.071 0.000 1.036 264 S CB 1.604 64.777 63.200 -0.046 0.000 1.014 264 S HN 0.405 nan 8.310 nan 0.000 0.522 265 L N 1.778 123.028 121.223 0.045 0.000 2.381 265 L HA 0.636 4.976 4.340 -0.000 0.000 0.274 265 L C -0.379 176.520 176.870 0.050 0.000 0.988 265 L CA -0.364 54.535 54.840 0.099 0.000 0.824 265 L CB 1.578 43.738 42.059 0.169 0.000 1.263 265 L HN 0.917 nan 8.230 nan 0.000 0.410 266 R N 2.007 122.529 120.500 0.036 0.000 2.837 266 R HA 0.913 5.253 4.340 -0.000 0.000 0.271 266 R C -1.003 175.303 176.300 0.010 0.000 0.993 266 R CA -0.707 55.392 56.100 -0.001 0.000 0.931 266 R CB 2.362 32.633 30.300 -0.048 0.000 1.206 266 R HN 0.756 nan 8.270 nan 0.000 0.474 267 S N -0.715 114.980 115.700 -0.007 0.000 2.688 267 S HA 0.941 5.411 4.470 -0.000 0.000 0.275 267 S C -0.609 173.985 174.600 -0.010 0.000 1.175 267 S CA -0.498 57.706 58.200 0.007 0.000 0.818 267 S CB 2.513 65.728 63.200 0.023 0.000 1.157 267 S HN 0.909 nan 8.310 nan 0.000 0.482 268 G N -0.092 108.719 108.800 0.020 0.000 2.328 268 G HA2 0.480 4.440 3.960 -0.000 0.000 0.295 268 G HA3 0.480 4.440 3.960 -0.000 0.000 0.295 268 G C -2.048 172.903 174.900 0.085 0.000 1.413 268 G CA -1.020 44.105 45.100 0.041 0.000 0.817 268 G HN 0.678 nan 8.290 nan 0.000 0.546 269 R N -0.092 120.476 120.500 0.113 0.000 2.404 269 R HA 0.698 5.038 4.340 -0.000 0.000 0.291 269 R C 0.012 176.383 176.300 0.118 0.000 1.025 269 R CA -0.481 55.676 56.100 0.095 0.000 0.991 269 R CB 1.041 31.378 30.300 0.061 0.000 1.053 269 R HN 0.677 nan 8.270 nan 0.000 0.479 270 I N -1.479 119.136 120.570 0.076 0.000 3.074 270 I HA 0.605 4.775 4.170 -0.000 0.000 0.310 270 I C -1.037 175.089 176.117 0.015 0.000 1.153 270 I CA -0.750 60.571 61.300 0.034 0.000 0.993 270 I CB 2.813 40.855 38.000 0.070 0.000 1.237 270 I HN 0.336 nan 8.210 nan 0.000 0.443 271 T N 4.311 118.852 114.554 -0.020 0.000 2.921 271 T HA 0.581 4.931 4.350 -0.000 0.000 0.297 271 T C -0.515 174.173 174.700 -0.020 0.000 1.013 271 T CA -0.521 61.571 62.100 -0.014 0.000 0.990 271 T CB 1.809 70.661 68.868 -0.028 0.000 1.023 271 T HN 0.421 nan 8.240 nan 0.000 0.447 272 L N 3.362 124.581 121.223 -0.007 0.000 2.325 272 L HA 0.474 4.814 4.340 -0.000 0.000 0.278 272 L C 1.913 178.755 176.870 -0.047 0.000 1.023 272 L CA -1.070 53.759 54.840 -0.019 0.000 0.811 272 L CB 1.733 43.794 42.059 0.002 0.000 1.249 272 L HN 0.765 nan 8.230 nan 0.000 0.431 273 K N 1.087 121.444 120.400 -0.072 0.000 2.057 273 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 273 K C 0.078 176.617 176.600 -0.102 0.000 1.049 273 K CA 0.924 57.161 56.287 -0.083 0.000 0.931 273 K CB -0.172 32.274 32.500 -0.090 0.000 0.714 273 K HN 0.502 nan 8.250 nan 0.000 0.440 274 Q N 1.069 120.767 119.800 -0.169 0.000 2.275 274 Q HA 0.137 4.477 4.340 -0.000 0.000 0.293 274 Q C 0.744 176.704 176.000 -0.066 0.000 1.129 274 Q CA 1.224 56.911 55.803 -0.193 0.000 0.971 274 Q CB 0.061 28.502 28.738 -0.495 0.000 1.098 274 Q HN 0.578 nan 8.270 nan 0.000 0.386 275 G N 3.405 112.181 108.800 -0.039 0.000 2.186 275 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.266 275 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.266 275 G C 0.401 175.293 174.900 -0.014 0.000 0.982 275 G CA 0.385 45.478 45.100 -0.011 0.000 0.670 275 G HN 0.878 nan 8.290 nan 0.000 0.533 276 N N -0.802 117.882 118.700 -0.027 0.000 2.714 276 N HA -0.198 4.542 4.740 -0.000 0.000 0.252 276 N C 0.497 176.004 175.510 -0.006 0.000 1.014 276 N CA 1.300 54.338 53.050 -0.021 0.000 0.735 276 N CB -1.131 37.344 38.487 -0.020 0.000 0.924 276 N HN 1.370 nan 8.380 nan 0.000 0.540 277 I N -2.415 118.157 120.570 0.003 0.000 2.472 277 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 277 I C 0.619 176.754 176.117 0.030 0.000 1.016 277 I CA -0.537 60.776 61.300 0.022 0.000 1.348 277 I CB 1.580 39.601 38.000 0.036 0.000 1.417 277 I HN 0.157 nan 8.210 nan 0.000 0.521 278 T N 5.531 120.108 114.554 0.038 0.000 2.855 278 T HA 0.793 5.143 4.350 -0.000 0.000 0.281 278 T C -0.358 174.382 174.700 0.066 0.000 1.007 278 T CA -0.727 61.398 62.100 0.041 0.000 1.009 278 T CB 1.889 70.772 68.868 0.025 0.000 0.983 278 T HN 0.871 nan 8.240 nan 0.000 0.455 279 L N -0.434 120.831 121.223 0.071 0.000 2.828 279 L HA 0.752 5.092 4.340 -0.000 0.000 0.264 279 L C -1.472 175.431 176.870 0.055 0.000 1.106 279 L CA -1.468 53.419 54.840 0.079 0.000 0.955 279 L CB 1.469 43.638 42.059 0.183 0.000 1.558 279 L HN 0.439 nan 8.230 nan 0.000 0.386 280 N N -0.128 118.588 118.700 0.027 0.000 2.483 280 N HA 0.889 5.629 4.740 -0.000 0.000 0.285 280 N C -1.041 174.499 175.510 0.050 0.000 1.210 280 N CA -0.098 52.970 53.050 0.030 0.000 0.931 280 N CB 2.018 40.502 38.487 -0.004 0.000 1.220 280 N HN 0.937 nan 8.380 nan 0.000 0.542 281 A N -0.134 122.720 122.820 0.057 0.000 2.572 281 A HA 0.677 4.997 4.320 -0.000 0.000 0.295 281 A C -1.384 176.234 177.584 0.057 0.000 1.072 281 A CA -0.508 51.569 52.037 0.067 0.000 0.691 281 A CB 1.211 20.268 19.000 0.095 0.000 1.291 281 A HN 0.308 nan 8.150 nan 0.000 0.404 282 V N 1.370 121.322 119.914 0.063 0.000 2.789 282 V HA 0.693 4.813 4.120 -0.000 0.000 0.311 282 V C -1.227 174.928 176.094 0.102 0.000 1.073 282 V CA -0.491 61.855 62.300 0.077 0.000 0.921 282 V CB 1.762 33.639 31.823 0.089 0.000 1.009 282 V HN 0.998 nan 8.190 nan 0.000 0.426 283 L N 4.458 125.740 121.223 0.099 0.000 2.406 283 L HA 0.940 5.280 4.340 -0.000 0.000 0.272 283 L C -0.239 176.712 176.870 0.134 0.000 0.980 283 L CA -0.152 54.759 54.840 0.119 0.000 0.831 283 L CB 1.597 43.689 42.059 0.055 0.000 1.253 283 L HN 0.733 nan 8.230 nan 0.000 0.406 284 A N 4.512 127.447 122.820 0.192 0.000 2.273 284 A HA 0.724 5.044 4.320 -0.000 0.000 0.315 284 A C -0.692 176.929 177.584 0.062 0.000 1.256 284 A CA -0.403 51.729 52.037 0.159 0.000 0.851 284 A CB 0.656 19.835 19.000 0.299 0.000 1.172 284 A HN 0.770 nan 8.150 nan 0.000 0.508 285 E N 2.537 122.731 120.200 -0.010 0.000 2.275 285 E HA 0.299 4.649 4.350 -0.000 0.000 0.270 285 E C -0.735 175.812 176.600 -0.087 0.000 0.882 285 E CA -0.508 55.883 56.400 -0.016 0.000 0.758 285 E CB 1.258 31.007 29.700 0.080 0.000 1.195 285 E HN 0.714 nan 8.360 nan 0.000 0.419 286 E N 4.792 124.931 120.200 -0.102 0.000 2.366 286 E HA 0.095 4.444 4.350 -0.000 0.000 0.266 286 E C -0.461 176.091 176.600 -0.080 0.000 1.015 286 E CA -0.097 56.229 56.400 -0.123 0.000 0.906 286 E CB 0.548 30.178 29.700 -0.116 0.000 0.979 286 E HN 0.417 nan 8.360 nan 0.000 0.443 287 I N 3.982 124.497 120.570 -0.092 0.000 2.440 287 I HA 0.089 4.259 4.170 -0.000 0.000 0.294 287 I C 0.480 176.564 176.117 -0.055 0.000 0.995 287 I CA -0.795 60.467 61.300 -0.063 0.000 1.306 287 I CB 0.966 38.926 38.000 -0.066 0.000 1.407 287 I HN 0.627 nan 8.210 nan 0.000 0.501 288 N N 3.074 121.751 118.700 -0.038 0.000 2.699 288 N HA -0.124 4.616 4.740 -0.000 0.000 0.256 288 N C -2.295 173.193 175.510 -0.037 0.000 0.993 288 N CA 0.208 53.239 53.050 -0.032 0.000 0.759 288 N CB -1.181 37.288 38.487 -0.030 0.000 0.906 288 N HN 0.415 nan 8.380 nan 0.000 0.541 289 P HA 0.187 nan 4.420 nan 0.000 0.269 289 P C -1.985 175.295 177.300 -0.033 0.000 1.209 289 P CA -0.688 62.387 63.100 -0.042 0.000 0.776 289 P CB -0.029 31.646 31.700 -0.040 0.000 0.876 290 P HA -0.054 nan 4.420 nan 0.000 0.269 290 P C 0.970 178.256 177.300 -0.023 0.000 1.205 290 P CA 0.211 63.294 63.100 -0.029 0.000 0.780 290 P CB 0.431 32.113 31.700 -0.030 0.000 0.858 291 K N 0.891 121.279 120.400 -0.019 0.000 2.044 291 K HA -0.106 4.214 4.320 -0.000 0.000 0.210 291 K C 1.597 178.188 176.600 -0.015 0.000 1.049 291 K CA 1.955 58.233 56.287 -0.016 0.000 0.927 291 K CB -0.584 31.908 32.500 -0.014 0.000 0.713 291 K HN 0.652 nan 8.250 nan 0.000 0.443 292 G N 1.084 109.874 108.800 -0.016 0.000 3.863 292 G HA2 0.058 4.018 3.960 -0.000 0.000 0.290 292 G HA3 0.058 4.018 3.960 -0.000 0.000 0.290 292 G C -0.450 174.440 174.900 -0.016 0.000 1.018 292 G CA -0.334 44.757 45.100 -0.015 0.000 0.824 292 G HN -0.002 nan 8.290 nan 0.000 0.507 293 E N 0.418 120.605 120.200 -0.021 0.000 2.221 293 E HA 0.325 4.675 4.350 -0.000 0.000 0.268 293 E C -0.641 175.945 176.600 -0.025 0.000 0.933 293 E CA -0.461 55.925 56.400 -0.024 0.000 0.809 293 E CB 1.596 31.278 29.700 -0.031 0.000 1.190 293 E HN -0.061 nan 8.360 nan 0.000 0.406 294 T N 4.088 118.629 114.554 -0.023 0.000 2.738 294 T HA 0.192 4.542 4.350 -0.000 0.000 0.293 294 T C -2.121 172.560 174.700 -0.032 0.000 0.913 294 T CA -1.089 60.998 62.100 -0.021 0.000 1.103 294 T CB -0.092 68.769 68.868 -0.012 0.000 0.880 294 T HN 0.128 nan 8.240 nan 0.000 0.526 295 P HA 0.065 nan 4.420 nan 0.000 0.263 295 P C -0.309 176.957 177.300 -0.056 0.000 1.175 295 P CA -0.161 62.912 63.100 -0.046 0.000 0.761 295 P CB 0.391 32.071 31.700 -0.033 0.000 0.794 296 L N 3.293 124.459 121.223 -0.095 0.000 2.360 296 L HA 0.323 4.663 4.340 -0.000 0.000 0.276 296 L C 0.999 177.797 176.870 -0.121 0.000 1.121 296 L CA 0.362 55.116 54.840 -0.144 0.000 0.845 296 L CB 0.143 42.061 42.059 -0.234 0.000 1.143 296 L HN 0.360 nan 8.230 nan 0.000 0.452 297 K N 3.353 123.706 120.400 -0.077 0.000 2.565 297 K HA 0.351 4.671 4.320 -0.000 0.000 0.251 297 K C -2.240 174.479 176.600 0.198 0.000 0.956 297 K CA -0.607 55.701 56.287 0.035 0.000 0.809 297 K CB 1.854 34.399 32.500 0.076 0.000 1.267 297 K HN 0.353 nan 8.250 nan 0.000 0.438 298 W N 4.901 126.246 121.300 0.074 0.000 2.781 298 W HA 0.441 5.101 4.660 -0.000 0.000 0.333 298 W C -0.996 175.547 176.519 0.040 0.000 1.047 298 W CA -0.899 56.473 57.345 0.044 0.000 1.236 298 W CB 1.226 30.717 29.460 0.052 0.000 1.394 298 W HN 0.379 nan 8.180 nan 0.000 0.466 299 L N 5.561 126.915 121.223 0.219 0.000 2.318 299 L HA 0.537 4.877 4.340 -0.000 0.000 0.277 299 L C -0.982 175.896 176.870 0.013 0.000 1.008 299 L CA -0.446 54.476 54.840 0.137 0.000 0.846 299 L CB 0.558 42.714 42.059 0.160 0.000 1.220 299 L HN 0.229 nan 8.230 nan 0.000 0.423 300 L N 5.593 126.815 121.223 -0.003 0.000 2.317 300 L HA 0.538 4.878 4.340 -0.000 0.000 0.281 300 L C -0.672 176.196 176.870 -0.003 0.000 1.024 300 L CA -0.724 54.056 54.840 -0.099 0.000 0.810 300 L CB 1.873 43.836 42.059 -0.160 0.000 1.240 300 L HN 0.505 nan 8.230 nan 0.000 0.427 301 L N 2.246 123.486 121.223 0.027 0.000 2.309 301 L HA 0.740 5.080 4.340 -0.000 0.000 0.282 301 L C 0.041 177.029 176.870 0.198 0.000 1.036 301 L CA -0.178 54.744 54.840 0.136 0.000 0.806 301 L CB 1.773 43.938 42.059 0.176 0.000 1.220 301 L HN 0.596 nan 8.230 nan 0.000 0.429 302 T N -0.853 113.749 114.554 0.081 0.000 2.802 302 T HA 0.242 4.592 4.350 -0.000 0.000 0.311 302 T C 0.561 174.951 174.700 -0.516 0.000 1.405 302 T CA 0.103 62.047 62.100 -0.260 0.000 1.016 302 T CB 1.707 70.482 68.868 -0.155 0.000 1.352 302 T HN 0.673 nan 8.240 nan 0.000 0.498 303 S N 0.819 115.934 115.700 -0.975 0.000 2.486 303 S HA 0.224 4.694 4.470 -0.000 0.000 0.220 303 S C 0.525 174.940 174.600 -0.308 0.000 1.011 303 S CA -0.133 57.664 58.200 -0.671 0.000 0.921 303 S CB -0.100 62.614 63.200 -0.810 0.000 0.785 303 S HN 0.677 nan 8.310 nan 0.000 0.517 304 E N 3.065 123.111 120.200 -0.258 0.000 2.392 304 E HA 0.324 4.674 4.350 -0.000 0.000 0.259 304 E C -2.614 173.940 176.600 -0.078 0.000 1.108 304 E CA -2.407 53.915 56.400 -0.130 0.000 0.916 304 E CB -0.322 29.323 29.700 -0.091 0.000 0.989 304 E HN 0.233 nan 8.360 nan 0.000 0.432 305 P HA -0.011 nan 4.420 nan 0.000 0.271 305 P C 0.537 177.831 177.300 -0.010 0.000 1.216 305 P CA 0.186 63.272 63.100 -0.023 0.000 0.776 305 P CB 0.561 32.253 31.700 -0.014 0.000 0.881 306 V N -0.677 119.236 119.914 -0.001 0.000 3.392 306 V HA 0.160 4.280 4.120 -0.000 0.000 0.294 306 V C 1.743 177.845 176.094 0.015 0.000 1.561 306 V CA 0.283 62.590 62.300 0.011 0.000 1.056 306 V CB -0.547 31.285 31.823 0.015 0.000 0.882 306 V HN 0.316 nan 8.190 nan 0.000 0.440 307 E N 3.003 123.209 120.200 0.010 0.000 2.055 307 E HA -0.190 4.159 4.350 -0.000 0.000 0.209 307 E C 1.446 178.054 176.600 0.013 0.000 1.036 307 E CA 2.308 58.715 56.400 0.011 0.000 0.849 307 E CB -0.131 29.573 29.700 0.008 0.000 0.767 307 E HN 0.952 nan 8.360 nan 0.000 0.461 308 S N -0.914 114.794 115.700 0.014 0.000 2.693 308 S HA 0.121 4.591 4.470 -0.000 0.000 0.276 308 S C 1.009 175.624 174.600 0.024 0.000 1.192 308 S CA -0.560 57.650 58.200 0.017 0.000 0.994 308 S CB 1.541 64.750 63.200 0.015 0.000 1.012 308 S HN 0.303 nan 8.310 nan 0.000 0.550 309 L N 1.274 122.514 121.223 0.027 0.000 2.131 309 L HA 0.108 4.448 4.340 -0.000 0.000 0.210 309 L C 2.470 179.361 176.870 0.035 0.000 1.092 309 L CA 2.231 57.093 54.840 0.036 0.000 0.759 309 L CB -1.306 40.776 42.059 0.039 0.000 0.903 309 L HN 0.923 nan 8.230 nan 0.000 0.435 310 A N -0.841 121.996 122.820 0.028 0.000 1.873 310 A HA -0.236 4.084 4.320 -0.000 0.000 0.215 310 A C 2.178 179.777 177.584 0.026 0.000 1.186 310 A CA 1.740 53.793 52.037 0.026 0.000 0.616 310 A CB -0.599 18.415 19.000 0.023 0.000 0.823 310 A HN 0.637 nan 8.150 nan 0.000 0.442 311 Q N -0.498 119.316 119.800 0.023 0.000 2.124 311 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 311 Q C 2.358 178.375 176.000 0.028 0.000 0.977 311 Q CA 1.397 57.213 55.803 0.021 0.000 0.850 311 Q CB -0.396 28.350 28.738 0.014 0.000 0.901 311 Q HN 0.681 nan 8.270 nan 0.000 0.429 312 A N 0.886 123.726 122.820 0.033 0.000 1.898 312 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 312 A C 2.064 179.676 177.584 0.047 0.000 1.181 312 A CA 0.903 52.968 52.037 0.046 0.000 0.620 312 A CB -0.600 18.433 19.000 0.054 0.000 0.819 312 A HN 0.277 nan 8.150 nan 0.000 0.442 313 L N -0.854 120.386 121.223 0.028 0.000 2.131 313 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 313 L C 2.709 179.583 176.870 0.007 0.000 1.092 313 L CA 1.472 56.300 54.840 -0.019 0.000 0.759 313 L CB -0.381 41.661 42.059 -0.028 0.000 0.903 313 L HN 0.387 nan 8.230 nan 0.000 0.435 314 R N 0.236 120.759 120.500 0.038 0.000 2.096 314 R HA -0.124 4.215 4.340 -0.000 0.000 0.235 314 R C 1.943 178.298 176.300 0.090 0.000 1.127 314 R CA 1.628 57.769 56.100 0.067 0.000 0.968 314 R CB -0.888 29.445 30.300 0.055 0.000 0.861 314 R HN 0.131 nan 8.270 nan 0.000 0.440 315 V N 0.703 120.664 119.914 0.078 0.000 2.427 315 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 315 V C 2.282 178.467 176.094 0.151 0.000 1.051 315 V CA 1.500 63.857 62.300 0.096 0.000 1.048 315 V CB -0.391 31.473 31.823 0.068 0.000 0.666 315 V HN 0.267 nan 8.190 nan 0.000 0.456 316 I N 0.216 120.872 120.570 0.144 0.000 2.252 316 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 316 I C 2.342 178.599 176.117 0.233 0.000 1.102 316 I CA 1.828 63.266 61.300 0.230 0.000 1.385 316 I CB -0.978 37.045 38.000 0.039 0.000 1.064 316 I HN 0.367 nan 8.210 nan 0.000 0.414 317 D N 1.116 121.592 120.400 0.127 0.000 2.144 317 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 317 D C 2.279 178.725 176.300 0.243 0.000 0.984 317 D CA 0.986 55.071 54.000 0.142 0.000 0.834 317 D CB 0.024 40.904 40.800 0.133 0.000 0.955 317 D HN 0.259 nan 8.370 nan 0.000 0.465 318 I N -0.476 120.230 120.570 0.227 0.000 2.142 318 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 318 I C 2.069 178.304 176.117 0.197 0.000 1.078 318 I CA 1.055 62.492 61.300 0.229 0.000 1.343 318 I CB -0.402 37.709 38.000 0.184 0.000 1.046 318 I HN 0.091 nan 8.210 nan 0.000 0.405 319 Y N 1.739 122.071 120.300 0.052 0.000 2.274 319 Y HA -0.270 4.280 4.550 -0.000 0.000 0.290 319 Y C 2.672 178.531 175.900 -0.068 0.000 1.145 319 Y CA 1.949 59.992 58.100 -0.094 0.000 1.203 319 Y CB -0.547 37.723 38.460 -0.316 0.000 0.984 319 Y HN 0.110 nan 8.280 nan 0.000 0.533 320 T N -1.112 113.477 114.554 0.059 0.000 2.881 320 T HA -0.204 4.146 4.350 -0.000 0.000 0.270 320 T C 1.057 175.607 174.700 -0.250 0.000 1.068 320 T CA 1.833 63.964 62.100 0.052 0.000 1.131 320 T CB -0.429 68.489 68.868 0.083 0.000 0.871 320 T HN 0.494 nan 8.240 nan 0.000 0.479 321 H N 0.206 119.191 119.070 -0.141 0.000 2.556 321 H HA 0.223 4.779 4.556 -0.000 0.000 0.268 321 H C 2.269 177.536 175.328 -0.101 0.000 0.996 321 H CA 0.332 56.298 56.048 -0.137 0.000 1.157 321 H CB 0.002 29.651 29.762 -0.188 0.000 1.355 321 H HN 0.131 nan 8.280 nan 0.000 0.597 322 R N 0.034 120.436 120.500 -0.163 0.000 2.127 322 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 322 R C 1.671 177.915 176.300 -0.093 0.000 1.134 322 R CA 1.089 57.070 56.100 -0.197 0.000 0.975 322 R CB -0.360 29.635 30.300 -0.509 0.000 0.865 322 R HN 0.560 nan 8.270 nan 0.000 0.447 323 W N 1.782 122.981 121.300 -0.169 0.000 2.341 323 W HA -0.267 4.393 4.660 -0.000 0.000 0.283 323 W C 1.811 178.304 176.519 -0.044 0.000 1.215 323 W CA 1.600 58.899 57.345 -0.078 0.000 1.211 323 W CB -0.151 29.276 29.460 -0.054 0.000 1.131 323 W HN 0.120 nan 8.180 nan 0.000 0.552 324 R N 0.853 121.348 120.500 -0.007 0.000 2.117 324 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 324 R C 2.241 178.455 176.300 -0.143 0.000 1.143 324 R CA 2.011 58.093 56.100 -0.030 0.000 0.968 324 R CB -1.253 29.050 30.300 0.007 0.000 0.863 324 R HN 0.323 nan 8.270 nan 0.000 0.444 325 I N 0.384 120.821 120.570 -0.222 0.000 2.394 325 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 325 I C 1.287 177.093 176.117 -0.519 0.000 1.136 325 I CA 1.312 62.427 61.300 -0.308 0.000 1.425 325 I CB -0.045 37.788 38.000 -0.277 0.000 1.079 325 I HN 0.246 nan 8.210 nan 0.000 0.425 326 E N 0.660 120.508 120.200 -0.587 0.000 2.106 326 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 326 E C 1.958 178.376 176.600 -0.303 0.000 0.984 326 E CA 1.209 57.235 56.400 -0.623 0.000 0.806 326 E CB -0.244 28.613 29.700 -1.405 0.000 0.750 326 E HN 0.638 nan 8.360 nan 0.000 0.458 327 E N 0.072 120.156 120.200 -0.192 0.000 2.106 327 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 327 E C 1.901 178.443 176.600 -0.096 0.000 0.984 327 E CA 0.599 57.020 56.400 0.035 0.000 0.806 327 E CB -0.270 29.509 29.700 0.131 0.000 0.750 327 E HN 0.183 nan 8.360 nan 0.000 0.458 328 F N 1.577 121.345 119.950 -0.303 0.000 2.134 328 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 328 F C 1.858 177.558 175.800 -0.167 0.000 1.097 328 F CA 1.858 59.658 58.000 -0.332 0.000 1.264 328 F CB -0.413 38.350 39.000 -0.396 0.000 1.001 328 F HN 0.042 nan 8.300 nan 0.000 0.479 329 H N -0.271 118.590 119.070 -0.348 0.000 2.319 329 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 329 H C 2.290 177.464 175.328 -0.257 0.000 1.092 329 H CA 1.791 57.624 56.048 -0.358 0.000 1.302 329 H CB -0.232 29.433 29.762 -0.161 0.000 1.373 329 H HN 0.236 nan 8.280 nan 0.000 0.497 330 K N 0.734 121.134 120.400 0.001 0.000 2.057 330 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 330 K C 2.391 179.059 176.600 0.113 0.000 1.049 330 K CA 1.009 57.365 56.287 0.115 0.000 0.931 330 K CB -0.107 32.560 32.500 0.279 0.000 0.714 330 K HN 0.263 nan 8.250 nan 0.000 0.440 331 A N 0.301 123.032 122.820 -0.148 0.000 1.972 331 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 331 A C 1.872 179.326 177.584 -0.217 0.000 1.169 331 A CA 1.387 53.123 52.037 -0.502 0.000 0.635 331 A CB -0.903 17.498 19.000 -0.998 0.000 0.810 331 A HN 0.691 nan 8.150 nan 0.000 0.446 332 W N 0.824 121.829 121.300 -0.491 0.000 2.409 332 W HA -0.004 4.656 4.660 -0.000 0.000 0.299 332 W C 1.855 178.242 176.519 -0.220 0.000 1.203 332 W CA 1.413 58.512 57.345 -0.409 0.000 1.298 332 W CB -0.279 28.771 29.460 -0.684 0.000 1.127 332 W HN 0.288 nan 8.180 nan 0.000 0.528 333 K N -0.968 119.381 120.400 -0.085 0.000 2.049 333 K HA -0.032 4.288 4.320 -0.000 0.000 0.214 333 K C 2.016 178.595 176.600 -0.034 0.000 1.026 333 K CA 1.773 57.969 56.287 -0.152 0.000 0.954 333 K CB -1.034 31.355 32.500 -0.186 0.000 0.838 333 K HN -0.278 nan 8.250 nan 0.000 0.450 334 T N 0.687 115.259 114.554 0.029 0.000 2.699 334 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 334 T C 1.771 176.554 174.700 0.138 0.000 1.036 334 T CA 1.706 63.856 62.100 0.084 0.000 1.147 334 T CB -0.681 68.263 68.868 0.127 0.000 0.862 334 T HN 0.543 nan 8.240 nan 0.000 0.446 335 G N 0.709 109.641 108.800 0.220 0.000 2.496 335 G HA2 0.088 4.048 3.960 -0.000 0.000 0.214 335 G HA3 0.088 4.048 3.960 -0.000 0.000 0.214 335 G C 1.762 176.680 174.900 0.030 0.000 1.234 335 G CA 0.714 45.935 45.100 0.201 0.000 0.807 335 G HN 0.561 nan 8.290 nan 0.000 0.543 336 A N -0.606 122.219 122.820 0.008 0.000 2.119 336 A HA 0.432 4.752 4.320 -0.000 0.000 0.216 336 A C 1.945 179.563 177.584 0.057 0.000 1.152 336 A CA 1.567 53.619 52.037 0.026 0.000 0.708 336 A CB -0.459 18.611 19.000 0.117 0.000 0.805 336 A HN 1.833 nan 8.150 nan 0.000 0.460 337 G N -1.956 106.867 108.800 0.038 0.000 2.140 337 G HA2 0.047 4.007 3.960 -0.000 0.000 0.211 337 G HA3 0.047 4.007 3.960 -0.000 0.000 0.211 337 G C 1.009 175.914 174.900 0.008 0.000 1.013 337 G CA 0.881 45.995 45.100 0.024 0.000 0.705 337 G HN 1.302 nan 8.290 nan 0.000 0.508 338 A N 0.020 122.796 122.820 -0.074 0.000 1.892 338 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 338 A C 1.908 179.467 177.584 -0.041 0.000 1.188 338 A CA 2.218 54.158 52.037 -0.160 0.000 0.631 338 A CB -0.256 18.319 19.000 -0.707 0.000 0.822 338 A HN 0.641 nan 8.150 nan 0.000 0.447 339 E N -1.321 118.784 120.200 -0.158 0.000 2.479 339 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 339 E C 1.761 178.346 176.600 -0.025 0.000 1.049 339 E CA -0.174 56.094 56.400 -0.220 0.000 0.870 339 E CB 0.135 29.565 29.700 -0.450 0.000 0.944 339 E HN 0.499 nan 8.360 nan 0.000 0.492 340 R N 0.571 121.086 120.500 0.024 0.000 2.276 340 R HA 0.055 4.395 4.340 -0.000 0.000 0.196 340 R C 0.331 176.673 176.300 0.070 0.000 0.961 340 R CA 0.239 56.359 56.100 0.034 0.000 1.024 340 R CB 0.298 30.611 30.300 0.021 0.000 0.940 340 R HN 0.110 nan 8.270 nan 0.000 0.480 341 Q N 0.873 120.761 119.800 0.146 0.000 2.373 341 Q HA 0.093 4.433 4.340 -0.000 0.000 0.255 341 Q C 0.472 176.488 176.000 0.027 0.000 0.980 341 Q CA 0.406 56.278 55.803 0.114 0.000 0.882 341 Q CB 0.841 29.667 28.738 0.147 0.000 1.249 341 Q HN -0.046 nan 8.270 nan 0.000 0.438 342 R N 1.519 121.973 120.500 -0.077 0.000 2.690 342 R HA 0.255 4.595 4.340 -0.000 0.000 0.419 342 R C -0.361 175.865 176.300 -0.123 0.000 1.090 342 R CA -0.501 55.381 56.100 -0.364 0.000 1.064 342 R CB -0.047 30.023 30.300 -0.385 0.000 1.391 342 R HN 0.550 nan 8.270 nan 0.000 0.586 343 M N 0.694 120.330 119.600 0.061 0.000 2.249 343 M HA 0.005 4.485 4.480 -0.000 0.000 0.340 343 M C 1.453 177.862 176.300 0.182 0.000 1.166 343 M CA 0.791 56.162 55.300 0.118 0.000 1.115 343 M CB 0.567 33.235 32.600 0.114 0.000 1.606 343 M HN 0.074 nan 8.290 nan 0.000 0.448 344 E N 0.993 121.260 120.200 0.112 0.000 2.299 344 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 344 E C -0.147 176.472 176.600 0.032 0.000 0.998 344 E CA 0.777 57.231 56.400 0.090 0.000 0.851 344 E CB 0.232 29.965 29.700 0.055 0.000 0.795 344 E HN 0.491 nan 8.360 nan 0.000 0.492 345 K N 0.354 120.774 120.400 0.033 0.000 2.259 345 K HA 0.192 4.512 4.320 -0.000 0.000 0.249 345 K C -2.131 174.496 176.600 0.045 0.000 0.942 345 K CA -2.261 54.035 56.287 0.016 0.000 0.816 345 K CB 1.928 34.439 32.500 0.018 0.000 1.155 345 K HN -0.291 nan 8.250 nan 0.000 0.428 346 P HA -0.211 nan 4.420 nan 0.000 0.215 346 P C 0.222 177.692 177.300 0.282 0.000 1.157 346 P CA 1.433 64.638 63.100 0.175 0.000 0.874 346 P CB 0.255 32.027 31.700 0.119 0.000 0.790 347 D N -1.337 119.145 120.400 0.136 0.000 2.144 347 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 347 D C 1.675 177.975 176.300 0.001 0.000 0.984 347 D CA 0.982 55.012 54.000 0.050 0.000 0.834 347 D CB -0.874 39.927 40.800 0.002 0.000 0.955 347 D HN 0.143 nan 8.370 nan 0.000 0.465 348 N N 0.343 119.059 118.700 0.027 0.000 2.084 348 N HA -0.113 4.627 4.740 -0.000 0.000 0.190 348 N C 1.826 177.361 175.510 0.042 0.000 1.030 348 N CA 0.348 53.411 53.050 0.020 0.000 0.849 348 N CB -0.573 37.943 38.487 0.049 0.000 1.012 348 N HN 0.162 nan 8.380 nan 0.000 0.423 349 L N 1.712 122.990 121.223 0.092 0.000 2.046 349 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 349 L C 2.233 179.148 176.870 0.074 0.000 1.077 349 L CA 1.693 56.601 54.840 0.113 0.000 0.747 349 L CB -0.706 41.437 42.059 0.140 0.000 0.896 349 L HN 0.230 nan 8.230 nan 0.000 0.432 350 E N -0.620 119.578 120.200 -0.003 0.000 2.058 350 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 350 E C 2.355 178.769 176.600 -0.310 0.000 0.997 350 E CA 1.448 57.618 56.400 -0.383 0.000 0.801 350 E CB -0.115 29.259 29.700 -0.544 0.000 0.746 350 E HN 0.457 nan 8.360 nan 0.000 0.450 351 R N -0.349 120.039 120.500 -0.188 0.000 2.083 351 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 351 R C 2.498 178.797 176.300 -0.002 0.000 1.137 351 R CA 1.905 57.923 56.100 -0.137 0.000 0.951 351 R CB -0.373 29.831 30.300 -0.160 0.000 0.851 351 R HN 0.293 nan 8.270 nan 0.000 0.434 352 M N 0.499 120.128 119.600 0.049 0.000 2.067 352 M HA -0.120 4.360 4.480 -0.000 0.000 0.260 352 M C 1.953 178.363 176.300 0.184 0.000 1.069 352 M CA 1.681 57.048 55.300 0.112 0.000 1.117 352 M CB -0.219 32.443 32.600 0.102 0.000 1.334 352 M HN -0.070 nan 8.290 nan 0.000 0.407 353 V N -0.176 119.870 119.914 0.220 0.000 2.490 353 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 353 V C 2.369 178.815 176.094 0.587 0.000 1.061 353 V CA 1.946 64.484 62.300 0.396 0.000 1.064 353 V CB -1.134 30.920 31.823 0.384 0.000 0.670 353 V HN 0.566 nan 8.190 nan 0.000 0.461 354 S N -0.082 115.840 115.700 0.370 0.000 2.368 354 S HA -0.100 4.369 4.470 -0.000 0.000 0.225 354 S C 1.871 176.699 174.600 0.380 0.000 1.030 354 S CA 1.542 59.941 58.200 0.331 0.000 0.999 354 S CB -0.304 62.906 63.200 0.017 0.000 0.844 354 S HN 0.531 nan 8.310 nan 0.000 0.459 355 I N 1.416 122.176 120.570 0.316 0.000 2.226 355 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 355 I C 1.921 178.308 176.117 0.450 0.000 1.100 355 I CA 1.038 62.551 61.300 0.354 0.000 1.374 355 I CB -0.383 37.707 38.000 0.150 0.000 1.057 355 I HN 0.237 nan 8.210 nan 0.000 0.413 356 L N 0.445 121.897 121.223 0.381 0.000 2.131 356 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 356 L C 2.799 179.807 176.870 0.231 0.000 1.092 356 L CA 1.480 56.542 54.840 0.370 0.000 0.759 356 L CB -0.762 41.555 42.059 0.430 0.000 0.903 356 L HN 0.389 nan 8.230 nan 0.000 0.435 357 S N 0.065 115.757 115.700 -0.013 0.000 2.383 357 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 357 S C 1.799 176.090 174.600 -0.516 0.000 1.030 357 S CA 1.157 58.857 58.200 -0.833 0.000 1.002 357 S CB -0.791 61.734 63.200 -1.125 0.000 0.829 357 S HN 0.354 nan 8.310 nan 0.000 0.467 358 F N 1.609 121.624 119.950 0.108 0.000 2.206 358 F HA 0.098 4.625 4.527 -0.000 0.000 0.298 358 F C 2.618 178.584 175.800 0.277 0.000 1.090 358 F CA 0.591 58.724 58.000 0.221 0.000 1.323 358 F CB -0.725 38.475 39.000 0.332 0.000 1.028 358 F HN 0.050 nan 8.300 nan 0.000 0.492 359 V N 0.270 120.418 119.914 0.390 0.000 2.392 359 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 359 V C 2.561 178.589 176.094 -0.109 0.000 1.059 359 V CA 1.799 64.146 62.300 0.078 0.000 1.051 359 V CB -1.356 30.517 31.823 0.083 0.000 0.658 359 V HN 0.379 nan 8.190 nan 0.000 0.455 360 A N -0.231 122.555 122.820 -0.055 0.000 1.873 360 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 360 A C 2.382 179.878 177.584 -0.147 0.000 1.186 360 A CA 1.957 53.906 52.037 -0.146 0.000 0.616 360 A CB -0.664 18.248 19.000 -0.147 0.000 0.823 360 A HN 0.337 nan 8.150 nan 0.000 0.442 361 V N 0.099 119.985 119.914 -0.047 0.000 2.407 361 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 361 V C 2.625 178.634 176.094 -0.142 0.000 1.055 361 V CA 2.265 64.513 62.300 -0.088 0.000 1.049 361 V CB -0.849 30.911 31.823 -0.105 0.000 0.662 361 V HN 0.676 nan 8.190 nan 0.000 0.455 362 R N -0.144 120.257 120.500 -0.164 0.000 2.096 362 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 362 R C 2.246 178.349 176.300 -0.329 0.000 1.127 362 R CA 1.452 57.355 56.100 -0.327 0.000 0.968 362 R CB -0.287 29.587 30.300 -0.711 0.000 0.861 362 R HN 0.455 nan 8.270 nan 0.000 0.440 363 L N 0.452 121.469 121.223 -0.344 0.000 2.042 363 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 363 L C 2.371 179.100 176.870 -0.234 0.000 1.076 363 L CA 1.311 55.970 54.840 -0.302 0.000 0.749 363 L CB -0.403 41.390 42.059 -0.443 0.000 0.893 363 L HN 0.291 nan 8.230 nan 0.000 0.432 364 L N -1.003 120.020 121.223 -0.333 0.000 2.027 364 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 364 L C 2.672 179.471 176.870 -0.119 0.000 1.074 364 L CA 1.262 55.952 54.840 -0.250 0.000 0.745 364 L CB -0.555 41.349 42.059 -0.259 0.000 0.898 364 L HN 0.306 nan 8.230 nan 0.000 0.433 365 Q N -0.015 119.694 119.800 -0.152 0.000 2.135 365 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 365 Q C 2.364 178.250 176.000 -0.190 0.000 0.981 365 Q CA 1.349 57.062 55.803 -0.149 0.000 0.856 365 Q CB -0.222 28.420 28.738 -0.160 0.000 0.902 365 Q HN 0.479 nan 8.270 nan 0.000 0.425 366 L N 0.244 121.338 121.223 -0.215 0.000 1.990 366 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 366 L C 2.705 179.533 176.870 -0.071 0.000 1.072 366 L CA 1.667 56.357 54.840 -0.251 0.000 0.755 366 L CB -0.427 41.551 42.059 -0.135 0.000 0.889 366 L HN 0.216 nan 8.230 nan 0.000 0.432 367 R N 0.382 120.925 120.500 0.072 0.000 2.083 367 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 367 R C 2.102 178.505 176.300 0.172 0.000 1.137 367 R CA 1.921 58.133 56.100 0.186 0.000 0.951 367 R CB -0.213 30.225 30.300 0.230 0.000 0.851 367 R HN 0.407 nan 8.270 nan 0.000 0.434 368 E N 0.184 120.427 120.200 0.071 0.000 2.209 368 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 368 E C 1.924 178.519 176.600 -0.009 0.000 0.993 368 E CA 1.502 57.933 56.400 0.052 0.000 0.819 368 E CB -0.043 29.658 29.700 0.002 0.000 0.745 368 E HN 0.510 nan 8.360 nan 0.000 0.477 369 S N 0.099 115.709 115.700 -0.151 0.000 2.423 369 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 369 S C 1.585 175.983 174.600 -0.337 0.000 1.014 369 S CA 0.591 58.609 58.200 -0.304 0.000 0.965 369 S CB -0.327 62.564 63.200 -0.515 0.000 0.785 369 S HN 0.221 nan 8.310 nan 0.000 0.495 370 F N 1.942 121.961 119.950 0.116 0.000 2.754 370 F HA 0.271 4.798 4.527 -0.000 0.000 0.297 370 F C 0.914 176.886 175.800 0.286 0.000 1.122 370 F CA -0.116 58.001 58.000 0.194 0.000 1.400 370 F CB -0.099 38.987 39.000 0.144 0.000 1.117 370 F HN 0.054 nan 8.300 nan 0.000 0.587 371 T N 3.466 118.206 114.554 0.309 0.000 2.761 371 T HA 0.232 4.582 4.350 -0.000 0.000 0.296 371 T C -2.232 172.503 174.700 0.058 0.000 0.934 371 T CA -1.262 60.914 62.100 0.126 0.000 1.091 371 T CB 0.990 69.920 68.868 0.102 0.000 0.896 371 T HN -0.200 nan 8.240 nan 0.000 0.515 372 P HA 0.370 nan 4.420 nan 0.000 0.276 372 P C -1.997 175.312 177.300 0.016 0.000 1.252 372 P CA -1.399 61.716 63.100 0.025 0.000 0.802 372 P CB -0.550 31.166 31.700 0.028 0.000 1.035 391 Q N 1.867 121.707 119.800 0.068 0.000 2.322 391 Q HA 0.433 4.773 4.340 -0.000 0.000 0.256 391 Q C 0.214 176.270 176.000 0.093 0.000 0.960 391 Q CA -0.337 55.508 55.803 0.070 0.000 0.934 391 Q CB 1.627 30.405 28.738 0.066 0.000 1.200 391 Q HN 0.697 nan 8.270 nan 0.000 0.435 392 S N 1.618 117.369 115.700 0.085 0.000 2.553 392 S HA -0.065 4.405 4.470 -0.000 0.000 0.293 392 S C 1.223 175.908 174.600 0.141 0.000 1.296 392 S CA 0.496 58.759 58.200 0.106 0.000 1.046 392 S CB 0.629 63.878 63.200 0.081 0.000 0.810 392 S HN 0.753 nan 8.310 nan 0.000 0.505 393 A N 3.648 126.586 122.820 0.198 0.000 2.015 393 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 393 A C 2.165 179.853 177.584 0.174 0.000 1.163 393 A CA 1.704 53.885 52.037 0.240 0.000 0.646 393 A CB -1.517 17.715 19.000 0.387 0.000 0.806 393 A HN 1.169 nan 8.150 nan 0.000 0.448 394 E N -0.113 120.170 120.200 0.137 0.000 2.396 394 E HA -0.154 4.196 4.350 -0.000 0.000 0.200 394 E C 1.895 178.538 176.600 0.072 0.000 1.023 394 E CA 1.947 58.406 56.400 0.098 0.000 0.857 394 E CB -1.591 28.157 29.700 0.080 0.000 0.775 394 E HN 0.937 nan 8.360 nan 0.000 0.525 395 T N -2.882 111.716 114.554 0.072 0.000 2.857 395 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 395 T C 2.042 176.753 174.700 0.019 0.000 1.048 395 T CA 1.422 63.550 62.100 0.046 0.000 1.139 395 T CB -0.025 68.872 68.868 0.048 0.000 0.874 395 T HN 0.249 nan 8.240 nan 0.000 0.455 396 V N 0.542 120.467 119.914 0.018 0.000 2.949 396 V HA 0.404 4.524 4.120 -0.000 0.000 0.245 396 V C 1.180 177.205 176.094 -0.114 0.000 1.086 396 V CA 0.310 62.550 62.300 -0.098 0.000 1.097 396 V CB -0.145 31.578 31.823 -0.166 0.000 0.762 396 V HN 0.419 nan 8.190 nan 0.000 0.470 397 L N 0.421 121.671 121.223 0.044 0.000 2.375 397 L HA 0.441 4.781 4.340 -0.000 0.000 0.268 397 L C 0.736 177.650 176.870 0.074 0.000 1.058 397 L CA -0.354 54.540 54.840 0.090 0.000 0.803 397 L CB 1.551 43.701 42.059 0.152 0.000 1.212 397 L HN 0.231 nan 8.230 nan 0.000 0.451 398 T N -2.430 112.169 114.554 0.074 0.000 2.828 398 T HA 0.217 4.567 4.350 -0.000 0.000 0.290 398 T C -1.927 172.809 174.700 0.061 0.000 1.019 398 T CA -1.561 60.576 62.100 0.062 0.000 1.031 398 T CB 1.226 70.129 68.868 0.057 0.000 1.001 398 T HN 0.345 nan 8.240 nan 0.000 0.531 399 P HA -0.053 nan 4.420 nan 0.000 0.215 399 P C 0.759 178.095 177.300 0.059 0.000 1.153 399 P CA 1.244 64.383 63.100 0.066 0.000 0.853 399 P CB -0.110 31.630 31.700 0.067 0.000 0.788 400 D N -0.287 120.148 120.400 0.059 0.000 2.097 400 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 400 D C 1.947 178.162 176.300 -0.141 0.000 0.989 400 D CA 1.040 55.060 54.000 0.033 0.000 0.827 400 D CB -0.550 40.316 40.800 0.110 0.000 0.966 400 D HN 0.291 nan 8.370 nan 0.000 0.456 401 E N -0.024 120.128 120.200 -0.081 0.000 2.085 401 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 401 E C 2.019 178.580 176.600 -0.064 0.000 0.994 401 E CA 0.730 57.062 56.400 -0.113 0.000 0.801 401 E CB -0.204 29.482 29.700 -0.023 0.000 0.743 401 E HN 0.311 nan 8.360 nan 0.000 0.453 402 C N 0.890 120.206 119.300 0.027 0.000 2.436 402 C HA -0.184 4.276 4.460 -0.000 0.000 0.277 402 C C 2.822 177.878 174.990 0.108 0.000 1.241 402 C CA 1.376 60.469 59.018 0.125 0.000 1.721 402 C CB -0.801 27.028 27.740 0.149 0.000 2.043 402 C HN 0.486 nan 8.230 nan 0.000 0.472 403 Q N -0.441 119.376 119.800 0.028 0.000 2.045 403 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 403 Q C 2.176 178.162 176.000 -0.023 0.000 0.991 403 Q CA 2.205 58.031 55.803 0.038 0.000 0.851 403 Q CB -0.404 28.391 28.738 0.095 0.000 0.911 403 Q HN 0.653 nan 8.270 nan 0.000 0.418 404 L N 0.721 121.737 121.223 -0.345 0.000 2.013 404 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 404 L C 2.243 179.063 176.870 -0.082 0.000 1.073 404 L CA 1.692 56.257 54.840 -0.459 0.000 0.753 404 L CB -0.977 40.501 42.059 -0.970 0.000 0.890 404 L HN 0.427 nan 8.230 nan 0.000 0.432 405 L N -0.148 121.048 121.223 -0.045 0.000 2.042 405 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 405 L C 2.327 179.359 176.870 0.269 0.000 1.076 405 L CA 2.124 56.992 54.840 0.047 0.000 0.749 405 L CB -1.403 40.644 42.059 -0.020 0.000 0.893 405 L HN 0.335 nan 8.230 nan 0.000 0.432 406 G N -1.903 107.117 108.800 0.366 0.000 2.418 406 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.217 406 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.217 406 G C 1.568 176.609 174.900 0.235 0.000 1.158 406 G CA 0.921 46.236 45.100 0.358 0.000 0.771 406 G HN 0.533 nan 8.290 nan 0.000 0.545 407 Y N 1.149 121.499 120.300 0.083 0.000 2.097 407 Y HA -0.124 4.425 4.550 -0.000 0.000 0.282 407 Y C 2.680 178.616 175.900 0.060 0.000 1.152 407 Y CA 1.627 59.765 58.100 0.064 0.000 1.136 407 Y CB -0.250 38.249 38.460 0.066 0.000 0.975 407 Y HN 0.100 nan 8.280 nan 0.000 0.498 408 L N -0.198 121.178 121.223 0.255 0.000 2.042 408 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 408 L C 1.846 178.756 176.870 0.067 0.000 1.076 408 L CA 1.884 56.806 54.840 0.136 0.000 0.749 408 L CB -0.569 41.534 42.059 0.074 0.000 0.893 408 L HN 0.225 nan 8.230 nan 0.000 0.432 409 D N -0.021 120.454 120.400 0.124 0.000 2.349 409 D HA -0.060 4.580 4.640 -0.000 0.000 0.224 409 D C 0.793 177.155 176.300 0.104 0.000 1.029 409 D CA 0.078 54.163 54.000 0.142 0.000 0.879 409 D CB 0.084 41.068 40.800 0.307 0.000 0.906 409 D HN -0.074 nan 8.370 nan 0.000 0.528 410 K N -0.093 120.321 120.400 0.024 0.000 2.434 410 K HA -0.046 4.274 4.320 -0.000 0.000 0.266 410 K C 0.974 177.562 176.600 -0.019 0.000 1.096 410 K CA 1.072 57.336 56.287 -0.039 0.000 1.182 410 K CB -0.246 32.155 32.500 -0.164 0.000 0.813 410 K HN 0.368 nan 8.250 nan 0.000 0.490 411 G N 3.492 112.293 108.800 0.001 0.000 2.179 411 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 411 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 411 G C 0.641 175.558 174.900 0.028 0.000 0.977 411 G CA 0.609 45.711 45.100 0.004 0.000 0.641 411 G HN 0.703 nan 8.290 nan 0.000 0.533 412 K N -0.222 120.214 120.400 0.061 0.000 2.361 412 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 412 K C 1.338 178.002 176.600 0.106 0.000 1.032 412 K CA -0.346 55.983 56.287 0.070 0.000 1.048 412 K CB 0.521 33.058 32.500 0.062 0.000 0.842 412 K HN 0.380 nan 8.250 nan 0.000 0.526 413 R N 2.753 123.343 120.500 0.149 0.000 2.522 413 R HA -0.019 4.321 4.340 -0.000 0.000 0.284 413 R C -0.363 176.008 176.300 0.117 0.000 1.032 413 R CA 0.349 56.564 56.100 0.192 0.000 1.049 413 R CB 0.490 30.904 30.300 0.189 0.000 0.956 413 R HN -0.126 nan 8.270 nan 0.000 0.422 414 K N 3.880 124.356 120.400 0.126 0.000 2.098 414 K HA 0.063 4.383 4.320 -0.000 0.000 0.261 414 K C 0.758 177.403 176.600 0.075 0.000 0.987 414 K CA -0.553 55.784 56.287 0.083 0.000 0.916 414 K CB 1.144 33.689 32.500 0.075 0.000 1.039 414 K HN 0.567 nan 8.250 nan 0.000 0.455 415 R N 2.207 122.736 120.500 0.048 0.000 2.113 415 R HA -0.242 4.098 4.340 -0.000 0.000 0.244 415 R C 2.029 178.357 176.300 0.046 0.000 1.142 415 R CA 2.277 58.399 56.100 0.037 0.000 0.953 415 R CB -0.134 30.181 30.300 0.024 0.000 0.860 415 R HN 0.696 nan 8.270 nan 0.000 0.438 416 K N 1.066 121.497 120.400 0.053 0.000 2.218 416 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 416 K C -0.521 176.124 176.600 0.075 0.000 1.046 416 K CA 1.690 58.012 56.287 0.057 0.000 0.933 416 K CB -0.139 32.396 32.500 0.058 0.000 0.728 416 K HN 0.481 nan 8.250 nan 0.000 0.454 417 E N 1.879 122.140 120.200 0.102 0.000 2.167 417 E HA 0.086 4.436 4.350 -0.000 0.000 0.284 417 E C -1.097 175.570 176.600 0.111 0.000 1.016 417 E CA -0.717 55.769 56.400 0.144 0.000 0.817 417 E CB 1.335 31.179 29.700 0.239 0.000 1.080 417 E HN 0.047 nan 8.360 nan 0.000 0.397 418 K N 2.709 123.170 120.400 0.101 0.000 2.412 418 K HA 0.180 4.500 4.320 -0.000 0.000 0.284 418 K C -0.152 176.464 176.600 0.026 0.000 1.046 418 K CA -0.276 56.043 56.287 0.054 0.000 0.999 418 K CB 0.538 33.072 32.500 0.056 0.000 0.941 418 K HN 0.672 nan 8.250 nan 0.000 0.474 419 A N 3.481 126.260 122.820 -0.069 0.000 2.565 419 A HA 0.256 4.576 4.320 -0.000 0.000 0.237 419 A C 1.295 178.752 177.584 -0.213 0.000 1.053 419 A CA 0.790 52.689 52.037 -0.230 0.000 0.755 419 A CB -0.557 18.315 19.000 -0.214 0.000 0.980 419 A HN 1.189 nan 8.150 nan 0.000 0.506 420 G N 1.441 109.978 108.800 -0.439 0.000 2.196 420 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.268 420 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.268 420 G C 0.679 175.661 174.900 0.138 0.000 0.975 420 G CA 1.367 46.330 45.100 -0.228 0.000 0.648 420 G HN 2.171 nan 8.290 nan 0.000 0.538 421 S N -0.958 114.873 115.700 0.218 0.000 2.655 421 S HA 0.629 5.099 4.470 -0.000 0.000 0.265 421 S C 1.446 176.250 174.600 0.339 0.000 1.240 421 S CA 0.005 58.349 58.200 0.240 0.000 0.986 421 S CB 1.507 64.813 63.200 0.176 0.000 0.985 421 S HN 0.903 nan 8.310 nan 0.000 0.562 422 L N 0.655 122.020 121.223 0.237 0.000 2.046 422 L HA -0.026 4.313 4.340 -0.000 0.000 0.208 422 L C 2.741 179.750 176.870 0.232 0.000 1.077 422 L CA 2.141 57.119 54.840 0.231 0.000 0.747 422 L CB -1.263 40.898 42.059 0.170 0.000 0.896 422 L HN 0.952 nan 8.230 nan 0.000 0.432 423 Q N -1.151 118.765 119.800 0.193 0.000 2.096 423 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 423 Q C 2.019 178.158 176.000 0.231 0.000 0.982 423 Q CA 2.508 58.410 55.803 0.165 0.000 0.850 423 Q CB -0.816 27.991 28.738 0.115 0.000 0.901 423 Q HN 0.643 nan 8.270 nan 0.000 0.422 424 W N 0.250 121.616 121.300 0.109 0.000 2.358 424 W HA -0.079 4.581 4.660 -0.000 0.000 0.303 424 W C 2.011 178.592 176.519 0.102 0.000 1.208 424 W CA 2.338 59.742 57.345 0.099 0.000 1.274 424 W CB -0.754 28.745 29.460 0.065 0.000 1.138 424 W HN 0.180 nan 8.180 nan 0.000 0.515 425 A N -0.091 122.625 122.820 -0.173 0.000 1.883 425 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 425 A C 1.963 179.297 177.584 -0.417 0.000 1.186 425 A CA 1.836 53.540 52.037 -0.555 0.000 0.624 425 A CB -1.772 17.172 19.000 -0.093 0.000 0.822 425 A HN 0.645 nan 8.150 nan 0.000 0.444 426 Y N -0.050 120.120 120.300 -0.216 0.000 2.081 426 Y HA -0.304 4.246 4.550 -0.000 0.000 0.280 426 Y C 2.442 178.205 175.900 -0.229 0.000 1.163 426 Y CA 2.479 60.475 58.100 -0.173 0.000 1.135 426 Y CB -0.182 38.280 38.460 0.003 0.000 0.970 426 Y HN 0.236 nan 8.280 nan 0.000 0.498 427 M N -0.185 119.487 119.600 0.120 0.000 2.175 427 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 427 M C 2.479 178.697 176.300 -0.136 0.000 1.063 427 M CA 1.501 56.850 55.300 0.081 0.000 1.119 427 M CB -1.657 31.051 32.600 0.180 0.000 1.377 427 M HN 0.509 nan 8.290 nan 0.000 0.415 428 A N 0.575 123.154 122.820 -0.401 0.000 1.898 428 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 428 A C 2.239 179.602 177.584 -0.368 0.000 1.181 428 A CA 1.267 53.032 52.037 -0.454 0.000 0.620 428 A CB -0.764 17.662 19.000 -0.958 0.000 0.819 428 A HN 0.432 nan 8.150 nan 0.000 0.442 429 I N -0.274 120.015 120.570 -0.469 0.000 2.179 429 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 429 I C 3.014 178.934 176.117 -0.327 0.000 1.088 429 I CA 1.016 62.062 61.300 -0.423 0.000 1.357 429 I CB -0.417 37.229 38.000 -0.589 0.000 1.051 429 I HN 0.358 nan 8.210 nan 0.000 0.409 430 A N 0.944 123.540 122.820 -0.374 0.000 1.892 430 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 430 A C 2.402 179.952 177.584 -0.057 0.000 1.188 430 A CA 1.728 53.592 52.037 -0.289 0.000 0.631 430 A CB -0.690 18.082 19.000 -0.379 0.000 0.822 430 A HN 0.321 nan 8.150 nan 0.000 0.447 431 R N -0.905 119.589 120.500 -0.011 0.000 2.091 431 R HA -0.080 4.260 4.340 -0.000 0.000 0.238 431 R C 2.086 178.372 176.300 -0.023 0.000 1.136 431 R CA 1.408 57.529 56.100 0.034 0.000 0.959 431 R CB -0.549 29.762 30.300 0.018 0.000 0.856 431 R HN 0.536 nan 8.270 nan 0.000 0.437 432 L N -0.290 120.880 121.223 -0.089 0.000 2.187 432 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 432 L C 2.033 178.852 176.870 -0.085 0.000 1.100 432 L CA 1.235 56.015 54.840 -0.100 0.000 0.765 432 L CB -0.331 41.633 42.059 -0.160 0.000 0.904 432 L HN 0.357 nan 8.230 nan 0.000 0.437 433 G N -2.148 106.603 108.800 -0.081 0.000 2.985 433 G HA2 0.253 4.213 3.960 -0.000 0.000 0.209 433 G HA3 0.253 4.213 3.960 -0.000 0.000 0.209 433 G C 1.128 176.027 174.900 -0.001 0.000 1.165 433 G CA 0.497 45.562 45.100 -0.058 0.000 0.776 433 G HN 0.517 nan 8.290 nan 0.000 0.541 434 G N -0.791 108.024 108.800 0.024 0.000 2.195 434 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.224 434 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.224 434 G C 0.257 175.220 174.900 0.106 0.000 0.990 434 G CA -0.061 45.065 45.100 0.044 0.000 0.639 434 G HN 0.474 nan 8.290 nan 0.000 0.514 435 F N 2.265 122.183 119.950 -0.053 0.000 2.608 435 F HA 0.506 5.033 4.527 -0.000 0.000 0.380 435 F C 1.309 177.097 175.800 -0.021 0.000 1.083 435 F CA 0.013 57.991 58.000 -0.037 0.000 1.266 435 F CB 0.458 39.433 39.000 -0.042 0.000 1.076 435 F HN 0.073 nan 8.300 nan 0.000 0.574 436 M N 3.486 122.827 119.600 -0.432 0.000 2.414 436 M HA 0.081 4.561 4.480 -0.000 0.000 0.357 436 M C 0.185 176.065 176.300 -0.699 0.000 1.059 436 M CA 0.082 55.096 55.300 -0.477 0.000 0.959 436 M CB -0.697 31.776 32.600 -0.212 0.000 1.522 436 M HN 0.622 nan 8.290 nan 0.000 0.551 437 D N 2.180 121.738 120.400 -1.402 0.000 2.686 437 D HA -0.159 4.481 4.640 -0.000 0.000 0.235 437 D C 1.107 177.227 176.300 -0.300 0.000 1.160 437 D CA 0.868 54.354 54.000 -0.857 0.000 0.645 437 D CB -0.340 40.082 40.800 -0.631 0.000 1.039 437 D HN 0.548 nan 8.370 nan 0.000 0.423 438 S N -0.563 115.016 115.700 -0.202 0.000 2.402 438 S HA -0.231 4.239 4.470 -0.000 0.000 0.233 438 S C 1.590 176.159 174.600 -0.051 0.000 1.030 438 S CA 0.930 59.071 58.200 -0.098 0.000 1.003 438 S CB 0.129 63.293 63.200 -0.059 0.000 0.813 438 S HN 0.301 nan 8.310 nan 0.000 0.477 439 K N 0.139 120.526 120.400 -0.021 0.000 2.373 439 K HA 0.258 4.578 4.320 -0.000 0.000 0.202 439 K C -0.161 176.443 176.600 0.006 0.000 1.025 439 K CA -0.203 56.084 56.287 -0.000 0.000 1.115 439 K CB 0.272 32.784 32.500 0.020 0.000 0.858 439 K HN 0.172 nan 8.250 nan 0.000 0.525 440 R N 0.471 120.964 120.500 -0.011 0.000 3.333 440 R HA -0.132 4.208 4.340 -0.000 0.000 0.256 440 R C 0.858 177.186 176.300 0.046 0.000 1.010 440 R CA 1.194 57.295 56.100 0.002 0.000 0.680 440 R CB -3.134 27.161 30.300 -0.007 0.000 1.102 440 R HN 0.467 nan 8.270 nan 0.000 0.440 441 T N -5.278 109.331 114.554 0.091 0.000 3.037 441 T HA 0.283 4.633 4.350 -0.000 0.000 0.252 441 T C 1.439 176.221 174.700 0.136 0.000 1.073 441 T CA 1.123 63.283 62.100 0.099 0.000 1.091 441 T CB 0.790 69.719 68.868 0.100 0.000 0.935 441 T HN 0.768 nan 8.240 nan 0.000 0.488 442 G N 1.398 110.336 108.800 0.230 0.000 2.175 442 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 442 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 442 G C -0.032 175.062 174.900 0.323 0.000 0.982 442 G CA 0.046 45.317 45.100 0.284 0.000 0.641 442 G HN 0.643 nan 8.290 nan 0.000 0.527 443 I N 1.772 122.518 120.570 0.294 0.000 2.321 443 I HA 0.632 4.802 4.170 -0.000 0.000 0.291 443 I C 0.730 176.851 176.117 0.007 0.000 0.998 443 I CA -0.398 60.994 61.300 0.154 0.000 1.227 443 I CB 1.721 39.788 38.000 0.112 0.000 1.368 443 I HN 0.280 nan 8.210 nan 0.000 0.466 444 A N 4.876 127.505 122.820 -0.318 0.000 2.304 444 A HA 0.635 4.955 4.320 -0.000 0.000 0.301 444 A C 0.363 177.806 177.584 -0.235 0.000 1.132 444 A CA -0.490 51.112 52.037 -0.724 0.000 0.819 444 A CB 0.626 18.887 19.000 -1.233 0.000 1.094 444 A HN 0.764 nan 8.150 nan 0.000 0.492 445 S N 1.726 117.305 115.700 -0.202 0.000 2.600 445 S HA 0.133 4.603 4.470 -0.000 0.000 0.265 445 S C 1.072 175.592 174.600 -0.132 0.000 1.325 445 S CA 0.031 58.117 58.200 -0.189 0.000 1.002 445 S CB 0.247 63.265 63.200 -0.303 0.000 0.921 445 S HN 1.079 nan 8.310 nan 0.000 0.554 446 W N 0.449 121.763 121.300 0.023 0.000 2.465 446 W HA 0.119 4.779 4.660 -0.000 0.000 0.268 446 W C 1.392 177.957 176.519 0.077 0.000 1.242 446 W CA 0.375 57.744 57.345 0.040 0.000 1.248 446 W CB -1.340 28.146 29.460 0.044 0.000 1.118 446 W HN 0.785 nan 8.180 nan 0.000 0.587 447 G N 1.590 110.159 108.800 -0.384 0.000 2.394 447 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 447 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 447 G C 1.822 176.735 174.900 0.021 0.000 1.176 447 G CA 1.828 46.798 45.100 -0.216 0.000 0.786 447 G HN 0.339 nan 8.290 nan 0.000 0.533 448 A N 0.469 123.243 122.820 -0.077 0.000 1.933 448 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 448 A C 2.342 179.889 177.584 -0.063 0.000 1.175 448 A CA 1.093 53.097 52.037 -0.057 0.000 0.628 448 A CB -0.352 18.586 19.000 -0.103 0.000 0.814 448 A HN 0.296 nan 8.150 nan 0.000 0.444 449 L N -1.132 120.051 121.223 -0.067 0.000 2.056 449 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 449 L C 2.394 179.312 176.870 0.080 0.000 1.078 449 L CA 1.691 56.479 54.840 -0.086 0.000 0.749 449 L CB -1.305 40.706 42.059 -0.080 0.000 0.901 449 L HN 0.841 nan 8.230 nan 0.000 0.433 450 W N 1.120 122.469 121.300 0.083 0.000 2.381 450 W HA -0.189 4.471 4.660 -0.000 0.000 0.301 450 W C 2.048 178.641 176.519 0.123 0.000 1.205 450 W CA 0.974 58.411 57.345 0.153 0.000 1.285 450 W CB 0.073 29.648 29.460 0.190 0.000 1.133 450 W HN 0.196 nan 8.180 nan 0.000 0.521 451 E N 0.284 120.505 120.200 0.035 0.000 2.085 451 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 451 E C 2.361 178.823 176.600 -0.230 0.000 0.994 451 E CA 1.772 58.112 56.400 -0.100 0.000 0.801 451 E CB -1.153 28.556 29.700 0.014 0.000 0.743 451 E HN 0.432 nan 8.360 nan 0.000 0.453 452 G N 0.668 109.361 108.800 -0.179 0.000 2.418 452 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 452 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 452 G C 1.422 176.172 174.900 -0.250 0.000 1.158 452 G CA 0.631 45.609 45.100 -0.203 0.000 0.771 452 G HN 0.358 nan 8.290 nan 0.000 0.545 453 W N 1.455 122.478 121.300 -0.461 0.000 2.358 453 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 453 W C 2.143 178.314 176.519 -0.581 0.000 1.208 453 W CA 1.474 58.536 57.345 -0.472 0.000 1.274 453 W CB -0.071 29.166 29.460 -0.371 0.000 1.138 453 W HN 0.378 nan 8.180 nan 0.000 0.515 454 E N 0.667 120.358 120.200 -0.849 0.000 2.085 454 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 454 E C 2.235 178.520 176.600 -0.525 0.000 0.994 454 E CA 1.687 57.579 56.400 -0.847 0.000 0.801 454 E CB -0.333 28.855 29.700 -0.853 0.000 0.743 454 E HN 0.204 nan 8.360 nan 0.000 0.453 455 A N 1.148 123.726 122.820 -0.403 0.000 1.930 455 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 455 A C 2.134 179.531 177.584 -0.311 0.000 1.175 455 A CA 1.167 53.036 52.037 -0.279 0.000 0.627 455 A CB -0.615 18.262 19.000 -0.206 0.000 0.815 455 A HN 0.363 nan 8.150 nan 0.000 0.443 456 L N -0.359 120.621 121.223 -0.405 0.000 1.989 456 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 456 L C 2.469 179.045 176.870 -0.490 0.000 1.071 456 L CA 2.285 56.863 54.840 -0.436 0.000 0.749 456 L CB -0.713 41.042 42.059 -0.506 0.000 0.890 456 L HN 0.367 nan 8.230 nan 0.000 0.431 457 Q N -0.817 118.575 119.800 -0.680 0.000 2.096 457 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 457 Q C 2.513 178.308 176.000 -0.341 0.000 0.982 457 Q CA 1.827 57.279 55.803 -0.585 0.000 0.850 457 Q CB -0.864 27.434 28.738 -0.733 0.000 0.901 457 Q HN 0.646 nan 8.270 nan 0.000 0.422 458 S N 0.555 116.077 115.700 -0.296 0.000 2.356 458 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 458 S C 1.722 176.249 174.600 -0.122 0.000 1.032 458 S CA 1.223 59.320 58.200 -0.171 0.000 1.005 458 S CB 0.062 63.179 63.200 -0.137 0.000 0.867 458 S HN 0.323 nan 8.310 nan 0.000 0.449 459 K N 0.369 120.682 120.400 -0.144 0.000 2.283 459 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 459 K C 1.930 178.486 176.600 -0.073 0.000 1.048 459 K CA 0.839 57.069 56.287 -0.095 0.000 0.948 459 K CB -0.283 32.154 32.500 -0.106 0.000 0.742 459 K HN 0.286 nan 8.250 nan 0.000 0.458 460 L N 1.944 123.087 121.223 -0.135 0.000 2.093 460 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 460 L C 1.375 178.255 176.870 0.017 0.000 1.085 460 L CA 1.869 56.654 54.840 -0.091 0.000 0.755 460 L CB -0.413 41.544 42.059 -0.170 0.000 0.904 460 L HN 0.096 nan 8.230 nan 0.000 0.435 461 D N -0.455 119.931 120.400 -0.023 0.000 2.123 461 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 461 D C 2.085 178.404 176.300 0.033 0.000 0.992 461 D CA 1.522 55.525 54.000 0.005 0.000 0.833 461 D CB -0.509 40.285 40.800 -0.009 0.000 0.954 461 D HN 0.490 nan 8.370 nan 0.000 0.455 462 G N -0.047 108.774 108.800 0.036 0.000 2.404 462 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 462 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 462 G C 1.523 176.459 174.900 0.060 0.000 1.174 462 G CA 0.247 45.368 45.100 0.036 0.000 0.780 462 G HN 0.204 nan 8.290 nan 0.000 0.537 463 F N 1.324 121.228 119.950 -0.076 0.000 2.046 463 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 463 F C 2.555 178.317 175.800 -0.063 0.000 1.123 463 F CA 1.387 59.336 58.000 -0.084 0.000 1.199 463 F CB -0.268 38.676 39.000 -0.092 0.000 0.972 463 F HN 0.011 nan 8.300 nan 0.000 0.474 464 L N -0.341 120.985 121.223 0.173 0.000 2.187 464 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 464 L C 2.650 179.511 176.870 -0.015 0.000 1.100 464 L CA 1.020 55.899 54.840 0.065 0.000 0.765 464 L CB -1.204 40.909 42.059 0.090 0.000 0.904 464 L HN 0.275 nan 8.230 nan 0.000 0.437 465 A N 0.017 122.829 122.820 -0.013 0.000 1.929 465 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 465 A C 2.563 180.108 177.584 -0.064 0.000 1.176 465 A CA 1.414 53.435 52.037 -0.027 0.000 0.628 465 A CB -0.475 18.517 19.000 -0.013 0.000 0.816 465 A HN 0.371 nan 8.150 nan 0.000 0.444 466 A N 0.126 122.881 122.820 -0.108 0.000 1.858 466 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 466 A C 2.111 179.598 177.584 -0.162 0.000 1.190 466 A CA 2.031 53.980 52.037 -0.146 0.000 0.617 466 A CB -0.575 18.304 19.000 -0.203 0.000 0.827 466 A HN 0.529 nan 8.150 nan 0.000 0.443 467 K N -0.591 119.675 120.400 -0.224 0.000 2.059 467 K HA -0.298 4.022 4.320 -0.000 0.000 0.212 467 K C 1.790 178.328 176.600 -0.102 0.000 1.050 467 K CA 2.135 58.307 56.287 -0.191 0.000 0.927 467 K CB -0.282 32.100 32.500 -0.197 0.000 0.714 467 K HN 0.428 nan 8.250 nan 0.000 0.447 468 D N 0.339 120.695 120.400 -0.073 0.000 2.084 468 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 468 D C 1.991 178.266 176.300 -0.042 0.000 0.990 468 D CA 1.224 55.198 54.000 -0.043 0.000 0.826 468 D CB -0.112 40.673 40.800 -0.026 0.000 0.971 468 D HN 0.247 nan 8.370 nan 0.000 0.453 469 L N -0.465 120.728 121.223 -0.049 0.000 2.042 469 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 469 L C 2.729 179.573 176.870 -0.044 0.000 1.076 469 L CA 0.936 55.751 54.840 -0.042 0.000 0.749 469 L CB -0.364 41.670 42.059 -0.042 0.000 0.893 469 L HN 0.107 nan 8.230 nan 0.000 0.432 470 M N -0.512 119.052 119.600 -0.059 0.000 2.067 470 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 470 M C 2.491 178.766 176.300 -0.042 0.000 1.069 470 M CA 2.031 57.297 55.300 -0.055 0.000 1.117 470 M CB -0.529 32.027 32.600 -0.074 0.000 1.334 470 M HN 0.297 nan 8.290 nan 0.000 0.407 471 A N 0.357 123.152 122.820 -0.043 0.000 2.093 471 A HA -0.234 4.086 4.320 -0.000 0.000 0.222 471 A C 1.785 179.356 177.584 -0.022 0.000 1.162 471 A CA 1.945 53.964 52.037 -0.030 0.000 0.655 471 A CB -0.931 18.053 19.000 -0.026 0.000 0.805 471 A HN 0.753 nan 8.150 nan 0.000 0.461 472 Q N -2.137 117.650 119.800 -0.022 0.000 2.201 472 Q HA 0.423 4.763 4.340 -0.000 0.000 0.236 472 Q C 0.835 176.825 176.000 -0.017 0.000 0.857 472 Q CA 0.309 56.102 55.803 -0.016 0.000 1.025 472 Q CB -0.267 28.463 28.738 -0.013 0.000 1.124 472 Q HN 0.896 nan 8.270 nan 0.000 0.473 473 G N 1.668 110.457 108.800 -0.020 0.000 2.196 473 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.268 473 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.268 473 G C 0.241 175.129 174.900 -0.020 0.000 0.975 473 G CA 0.372 45.461 45.100 -0.019 0.000 0.648 473 G HN 0.526 nan 8.290 nan 0.000 0.538 474 I N 1.010 121.567 120.570 -0.022 0.000 2.588 474 I HA 0.165 4.335 4.170 -0.000 0.000 0.283 474 I C 1.106 177.208 176.117 -0.026 0.000 1.119 474 I CA -0.274 61.013 61.300 -0.022 0.000 1.419 474 I CB 0.905 38.892 38.000 -0.021 0.000 1.394 474 I HN 0.122 nan 8.210 nan 0.000 0.562 475 K N 5.893 126.280 120.400 -0.022 0.000 2.295 475 K HA 0.280 4.600 4.320 -0.000 0.000 0.270 475 K C -0.975 175.610 176.600 -0.025 0.000 1.011 475 K CA -0.351 55.922 56.287 -0.023 0.000 0.953 475 K CB 0.813 33.303 32.500 -0.017 0.000 0.956 475 K HN 0.364 nan 8.250 nan 0.000 0.477 476 I N 2.956 123.509 120.570 -0.029 0.000 2.377 476 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 476 I C 0.547 176.650 176.117 -0.023 0.000 0.987 476 I CA 0.723 62.004 61.300 -0.031 0.000 1.185 476 I CB 1.043 39.016 38.000 -0.045 0.000 1.341 476 I HN 0.978 nan 8.210 nan 0.000 0.455 477 G N 0.000 108.789 108.800 -0.019 0.000 5.446 477 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 477 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 477 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 477 G HN 0.000 nan 8.290 nan 0.000 0.925