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 2nql_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNSPIATVEV FTLTQPRKVP YLGALREGEV VNPNGYIVRK GNRTVYPTFD DATA SEQUENCE RSVLVRMTTE AGTVGWGETY GIVAPGAVAA LINDLLAGFV IGRDASDPSA DATA SEQUENCE VYDDLYDMMR VRGYTGGFYV DALAALDIAL WDIAGQEAGK SIRDLLGGGV DATA SEQUENCE DSFPAYVSGL PERTLKARGE LAKYWQDRGF NAFKFATPVA DDGPAAEIAN DATA SEQUENCE LRQVLGPQAK IAADMHWNQT PERALELIAE MQPFDPWFAE APVWTEDIAG DATA SEQUENCE LEKVSKNTDV PIAVGEEWRT HWDMRARIER CRIAIVQPEM GHKGITNFIR DATA SEQUENCE IGALAAEHGI DVIPHATVGA GIFLAASLQA SSTLSMLKGH EFQHSIFEPN DATA SEQUENCE RRLLDGDMDC REGRYHLPSG PGLGVRPSEA ALGLIERI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 -0.000 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 N N 2.038 120.735 118.700 -0.006 0.000 2.437 2 N HA 0.375 5.115 4.740 -0.001 0.000 0.259 2 N C -0.777 174.725 175.510 -0.013 0.000 0.983 2 N CA -0.228 52.814 53.050 -0.013 0.000 0.937 2 N CB 1.921 40.394 38.487 -0.024 0.000 1.122 2 N HN 0.500 nan 8.380 nan 0.000 0.499 3 S N 2.484 118.177 115.700 -0.012 0.000 2.562 3 S HA 0.410 4.880 4.470 -0.001 0.000 0.275 3 S C -2.412 172.179 174.600 -0.016 0.000 1.281 3 S CA -1.459 56.734 58.200 -0.011 0.000 1.045 3 S CB 0.500 63.694 63.200 -0.009 0.000 0.962 3 S HN 0.254 nan 8.310 nan 0.000 0.503 4 P HA 0.156 nan 4.420 nan 0.000 0.272 4 P C -0.506 176.781 177.300 -0.022 0.000 1.223 4 P CA -0.509 62.580 63.100 -0.019 0.000 0.784 4 P CB 0.222 31.912 31.700 -0.017 0.000 0.923 5 I N 1.637 122.192 120.570 -0.024 0.000 2.598 5 I HA 0.000 4.170 4.170 -0.001 0.000 0.284 5 I C 1.440 177.539 176.117 -0.030 0.000 1.140 5 I CA 0.335 61.618 61.300 -0.028 0.000 1.420 5 I CB -0.493 37.491 38.000 -0.026 0.000 1.387 5 I HN 0.470 nan 8.210 nan 0.000 0.553 6 A N 5.160 127.959 122.820 -0.034 0.000 1.887 6 A HA 0.128 4.448 4.320 -0.001 0.000 0.210 6 A C 1.136 178.695 177.584 -0.042 0.000 1.221 6 A CA 0.802 52.818 52.037 -0.035 0.000 0.635 6 A CB 0.161 19.143 19.000 -0.031 0.000 0.881 6 A HN 0.652 nan 8.150 nan 0.000 0.456 7 T N -1.465 113.061 114.554 -0.048 0.000 2.883 7 T HA 0.556 4.905 4.350 -0.001 0.000 0.301 7 T C -1.992 172.667 174.700 -0.068 0.000 1.158 7 T CA -0.349 61.717 62.100 -0.056 0.000 1.007 7 T CB 1.729 70.565 68.868 -0.053 0.000 1.186 7 T HN 0.258 nan 8.240 nan 0.000 0.499 8 V N 3.491 123.362 119.914 -0.073 0.000 2.524 8 V HA 0.518 4.638 4.120 -0.001 0.000 0.297 8 V C -0.734 175.295 176.094 -0.109 0.000 1.035 8 V CA -0.743 61.509 62.300 -0.079 0.000 0.867 8 V CB 1.671 33.464 31.823 -0.050 0.000 1.004 8 V HN 0.902 nan 8.190 nan 0.000 0.426 9 E N 3.192 123.307 120.200 -0.143 0.000 2.222 9 E HA 0.710 5.059 4.350 -0.001 0.000 0.267 9 E C -1.309 175.096 176.600 -0.324 0.000 0.884 9 E CA -0.720 55.523 56.400 -0.262 0.000 0.764 9 E CB 2.930 32.484 29.700 -0.244 0.000 1.169 9 E HN 0.447 nan 8.360 nan 0.000 0.413 10 V N 3.436 123.079 119.914 -0.451 0.000 2.513 10 V HA 0.545 4.665 4.120 -0.001 0.000 0.299 10 V C -0.749 175.019 176.094 -0.543 0.000 1.035 10 V CA -0.656 61.469 62.300 -0.291 0.000 0.889 10 V CB 0.527 32.280 31.823 -0.118 0.000 0.988 10 V HN 0.535 nan 8.190 nan 0.000 0.440 11 F N 0.804 120.817 119.950 0.105 0.000 2.629 11 F HA 0.711 5.238 4.527 -0.001 0.000 0.316 11 F C 0.413 176.277 175.800 0.106 0.000 1.081 11 F CA -0.733 57.332 58.000 0.109 0.000 0.954 11 F CB 2.354 41.447 39.000 0.156 0.000 1.337 11 F HN 0.533 nan 8.300 nan 0.000 0.474 12 T N 0.082 114.812 114.554 0.293 0.000 2.925 12 T HA 0.744 5.093 4.350 -0.001 0.000 0.285 12 T C -1.477 173.320 174.700 0.162 0.000 1.021 12 T CA -0.735 61.485 62.100 0.200 0.000 1.042 12 T CB 1.859 70.807 68.868 0.133 0.000 1.037 12 T HN 0.502 nan 8.240 nan 0.000 0.481 13 L N 1.980 123.267 121.223 0.105 0.000 2.372 13 L HA 0.573 4.912 4.340 -0.001 0.000 0.273 13 L C -0.540 176.352 176.870 0.036 0.000 0.989 13 L CA -0.287 54.577 54.840 0.041 0.000 0.841 13 L CB 1.456 43.511 42.059 -0.006 0.000 1.225 13 L HN 0.942 nan 8.230 nan 0.000 0.414 14 T N 4.586 119.153 114.554 0.021 0.000 2.795 14 T HA 0.474 4.823 4.350 -0.001 0.000 0.282 14 T C -0.272 174.461 174.700 0.055 0.000 0.980 14 T CA -0.374 61.745 62.100 0.033 0.000 1.012 14 T CB 1.083 69.916 68.868 -0.058 0.000 0.936 14 T HN 0.553 nan 8.240 nan 0.000 0.457 15 Q N 3.252 123.115 119.800 0.105 0.000 2.230 15 Q HA 0.252 4.591 4.340 -0.001 0.000 0.248 15 Q C -1.489 174.588 176.000 0.129 0.000 0.915 15 Q CA -2.113 53.737 55.803 0.077 0.000 0.900 15 Q CB 1.268 30.032 28.738 0.044 0.000 1.229 15 Q HN 0.401 nan 8.270 nan 0.000 0.439 16 P HA 0.014 nan 4.420 nan 0.000 0.241 16 P C -0.092 177.230 177.300 0.037 0.000 1.191 16 P CA 0.682 63.829 63.100 0.079 0.000 0.771 16 P CB 0.621 32.346 31.700 0.043 0.000 0.929 17 R N 0.382 120.892 120.500 0.016 0.000 2.828 17 R HA 0.599 4.938 4.340 -0.001 0.000 0.264 17 R C -0.203 176.081 176.300 -0.028 0.000 1.022 17 R CA -0.806 55.285 56.100 -0.015 0.000 1.021 17 R CB 1.365 31.654 30.300 -0.018 0.000 1.163 17 R HN -0.152 nan 8.270 nan 0.000 0.494 18 K N 0.717 121.079 120.400 -0.063 0.000 2.471 18 K HA 0.219 4.539 4.320 -0.001 0.000 0.252 18 K C -0.727 175.815 176.600 -0.098 0.000 0.938 18 K CA -0.729 55.502 56.287 -0.093 0.000 0.796 18 K CB 1.478 33.875 32.500 -0.172 0.000 1.161 18 K HN 0.449 nan 8.250 nan 0.000 0.425 19 V N 2.413 122.282 119.914 -0.074 0.000 2.637 19 V HA 0.496 4.616 4.120 -0.001 0.000 0.296 19 V C -2.216 173.789 176.094 -0.148 0.000 1.046 19 V CA -1.442 60.818 62.300 -0.067 0.000 1.066 19 V CB 0.069 31.885 31.823 -0.011 0.000 0.968 19 V HN 0.706 nan 8.190 nan 0.000 0.483 20 P HA 0.194 nan 4.420 nan 0.000 0.268 20 P C -0.931 176.282 177.300 -0.145 0.000 1.208 20 P CA 0.186 63.181 63.100 -0.175 0.000 0.777 20 P CB 0.051 31.715 31.700 -0.060 0.000 0.875 21 Y N 0.487 120.773 120.300 -0.022 0.000 2.379 21 Y HA 0.172 4.722 4.550 -0.001 0.000 0.337 21 Y C 0.829 176.696 175.900 -0.055 0.000 1.238 21 Y CA -0.105 57.942 58.100 -0.088 0.000 1.405 21 Y CB -0.089 38.260 38.460 -0.185 0.000 1.310 21 Y HN 0.101 nan 8.280 nan 0.000 0.569 22 L N 2.763 124.055 121.223 0.115 0.000 2.259 22 L HA 0.563 4.902 4.340 -0.001 0.000 0.288 22 L C 0.332 177.206 176.870 0.007 0.000 1.051 22 L CA -0.480 54.400 54.840 0.066 0.000 0.824 22 L CB 0.289 42.400 42.059 0.086 0.000 1.206 22 L HN 0.904 nan 8.230 nan 0.000 0.429 23 G N 2.497 111.308 108.800 0.017 0.000 3.353 23 G HA2 0.121 4.080 3.960 -0.001 0.000 0.682 23 G HA3 0.121 4.080 3.960 -0.001 0.000 0.682 23 G C -0.147 174.764 174.900 0.019 0.000 1.192 23 G CA -0.541 44.554 45.100 -0.008 0.000 1.111 23 G HN 0.896 nan 8.290 nan 0.000 0.493 24 A N 2.972 125.807 122.820 0.025 0.000 2.561 24 A HA 0.485 4.805 4.320 -0.001 0.000 0.234 24 A C 1.226 178.825 177.584 0.024 0.000 1.055 24 A CA 0.311 52.371 52.037 0.038 0.000 0.756 24 A CB 0.198 19.211 19.000 0.021 0.000 0.986 24 A HN 1.479 nan 8.150 nan 0.000 0.505 25 L N 2.790 124.042 121.223 0.049 0.000 2.490 25 L HA 0.137 4.476 4.340 -0.001 0.000 0.274 25 L C 0.693 177.569 176.870 0.010 0.000 1.201 25 L CA 0.152 55.002 54.840 0.018 0.000 0.869 25 L CB 0.031 42.120 42.059 0.051 0.000 1.123 25 L HN 0.698 nan 8.230 nan 0.000 0.484 26 R N 2.259 122.758 120.500 -0.002 0.000 2.778 26 R HA 0.253 4.592 4.340 -0.001 0.000 0.277 26 R C -0.503 175.801 176.300 0.006 0.000 0.977 26 R CA -1.022 55.079 56.100 0.002 0.000 0.950 26 R CB 1.283 31.582 30.300 -0.001 0.000 1.165 26 R HN 0.558 nan 8.270 nan 0.000 0.474 27 E N 0.339 120.545 120.200 0.009 0.000 2.765 27 E HA -0.074 4.276 4.350 -0.001 0.000 0.256 27 E C 0.490 177.098 176.600 0.012 0.000 0.935 27 E CA 1.595 58.002 56.400 0.011 0.000 0.954 27 E CB 0.134 29.840 29.700 0.011 0.000 0.908 27 E HN 0.775 nan 8.360 nan 0.000 0.500 28 G N 3.694 112.503 108.800 0.014 0.000 2.217 28 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.246 28 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.246 28 G C -0.041 174.870 174.900 0.018 0.000 0.990 28 G CA 0.254 45.364 45.100 0.017 0.000 0.627 28 G HN 0.618 nan 8.290 nan 0.000 0.522 29 E N 0.221 120.429 120.200 0.014 0.000 2.360 29 E HA 0.455 4.805 4.350 -0.001 0.000 0.269 29 E C -0.170 176.443 176.600 0.022 0.000 1.022 29 E CA -0.119 56.289 56.400 0.012 0.000 0.887 29 E CB 1.864 31.560 29.700 -0.007 0.000 0.990 29 E HN 0.151 nan 8.360 nan 0.000 0.426 30 V N 3.467 123.399 119.914 0.031 0.000 2.495 30 V HA 0.151 4.270 4.120 -0.001 0.000 0.298 30 V C -0.177 175.949 176.094 0.053 0.000 1.031 30 V CA -0.903 61.421 62.300 0.040 0.000 0.871 30 V CB 1.945 33.794 31.823 0.043 0.000 0.988 30 V HN 0.407 nan 8.190 nan 0.000 0.432 31 V N 4.883 124.831 119.914 0.056 0.000 2.372 31 V HA 0.183 4.303 4.120 -0.001 0.000 0.261 31 V C 0.709 176.846 176.094 0.072 0.000 1.055 31 V CA -0.360 61.982 62.300 0.070 0.000 0.930 31 V CB 0.603 32.463 31.823 0.063 0.000 1.031 31 V HN 0.889 nan 8.190 nan 0.000 0.479 32 N N 6.649 125.404 118.700 0.093 0.000 2.492 32 N HA 0.115 4.854 4.740 -0.001 0.000 0.260 32 N C -1.572 173.983 175.510 0.076 0.000 1.215 32 N CA -1.271 51.835 53.050 0.093 0.000 0.923 32 N CB 1.935 40.502 38.487 0.135 0.000 1.092 32 N HN 0.255 nan 8.380 nan 0.000 0.448 33 P HA -0.123 nan 4.420 nan 0.000 0.220 33 P C 0.567 177.894 177.300 0.045 0.000 1.144 33 P CA 1.055 64.185 63.100 0.050 0.000 0.800 33 P CB 0.052 31.780 31.700 0.046 0.000 0.772 34 N N -0.872 117.869 118.700 0.069 0.000 2.521 34 N HA 0.015 4.755 4.740 -0.001 0.000 0.188 34 N C 1.209 176.661 175.510 -0.096 0.000 1.146 34 N CA 1.016 54.103 53.050 0.062 0.000 0.893 34 N CB -1.127 37.466 38.487 0.177 0.000 0.975 34 N HN 0.173 nan 8.380 nan 0.000 0.451 35 G N -1.702 107.041 108.800 -0.094 0.000 2.141 35 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.242 35 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.242 35 G C -0.651 174.067 174.900 -0.304 0.000 0.982 35 G CA 0.277 45.262 45.100 -0.191 0.000 0.662 35 G HN 0.392 nan 8.290 nan 0.000 0.527 36 Y N -0.697 119.681 120.300 0.131 0.000 2.528 36 Y HA 0.801 5.350 4.550 -0.001 0.000 0.335 36 Y C 0.677 176.645 175.900 0.112 0.000 1.093 36 Y CA -1.422 56.759 58.100 0.135 0.000 1.134 36 Y CB 1.489 40.019 38.460 0.116 0.000 1.253 36 Y HN 0.092 nan 8.280 nan 0.000 0.478 37 I N 1.775 122.524 120.570 0.299 0.000 2.512 37 I HA 0.325 4.494 4.170 -0.001 0.000 0.287 37 I C -1.230 174.981 176.117 0.157 0.000 1.069 37 I CA -0.857 60.541 61.300 0.164 0.000 1.056 37 I CB 1.842 39.882 38.000 0.068 0.000 1.229 37 I HN 0.196 nan 8.210 nan 0.000 0.429 38 V N 6.360 126.344 119.914 0.117 0.000 2.498 38 V HA 0.384 4.504 4.120 -0.001 0.000 0.279 38 V C 0.337 176.477 176.094 0.076 0.000 1.048 38 V CA -0.684 61.683 62.300 0.111 0.000 0.967 38 V CB 1.152 33.025 31.823 0.083 0.000 0.988 38 V HN 0.563 nan 8.190 nan 0.000 0.473 39 R N 3.811 124.373 120.500 0.103 0.000 2.357 39 R HA 0.302 4.641 4.340 -0.001 0.000 0.296 39 R C 1.023 177.357 176.300 0.056 0.000 1.052 39 R CA -0.417 55.704 56.100 0.035 0.000 0.988 39 R CB 0.523 30.827 30.300 0.006 0.000 1.025 39 R HN 0.593 nan 8.270 nan 0.000 0.469 40 K N 1.308 121.725 120.400 0.029 0.000 2.211 40 K HA -0.135 4.185 4.320 -0.001 0.000 0.204 40 K C 1.831 178.466 176.600 0.060 0.000 1.047 40 K CA 1.659 57.970 56.287 0.041 0.000 0.935 40 K CB -0.060 32.455 32.500 0.025 0.000 0.728 40 K HN 0.780 nan 8.250 nan 0.000 0.452 41 G N 1.205 110.042 108.800 0.060 0.000 2.637 41 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.215 41 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.215 41 G C 1.233 176.214 174.900 0.135 0.000 1.289 41 G CA 0.753 45.902 45.100 0.080 0.000 0.816 41 G HN 0.212 nan 8.290 nan 0.000 0.580 42 N N -0.178 118.632 118.700 0.183 0.000 2.280 42 N HA 0.080 4.820 4.740 -0.001 0.000 0.192 42 N C 0.585 176.251 175.510 0.261 0.000 1.109 42 N CA -0.108 53.110 53.050 0.280 0.000 0.855 42 N CB 0.131 38.822 38.487 0.340 0.000 0.974 42 N HN 0.288 nan 8.380 nan 0.000 0.482 43 R N -1.138 119.470 120.500 0.181 0.000 3.875 43 R HA -0.127 4.213 4.340 -0.001 0.000 0.321 43 R C -0.561 175.813 176.300 0.123 0.000 1.196 43 R CA 0.679 56.858 56.100 0.130 0.000 0.868 43 R CB -3.015 27.340 30.300 0.092 0.000 1.333 43 R HN 0.095 nan 8.270 nan 0.000 0.522 44 T N 0.832 115.493 114.554 0.179 0.000 2.907 44 T HA 0.301 4.650 4.350 -0.001 0.000 0.298 44 T C 0.433 175.217 174.700 0.141 0.000 1.017 44 T CA -0.317 61.860 62.100 0.129 0.000 1.118 44 T CB 2.051 71.026 68.868 0.179 0.000 0.948 44 T HN 0.102 nan 8.240 nan 0.000 0.531 45 V N 4.129 124.046 119.914 0.006 0.000 2.607 45 V HA 0.454 4.573 4.120 -0.001 0.000 0.289 45 V C -1.262 174.784 176.094 -0.079 0.000 1.053 45 V CA -0.269 62.054 62.300 0.037 0.000 0.996 45 V CB 0.408 32.209 31.823 -0.036 0.000 0.995 45 V HN 0.791 nan 8.190 nan 0.000 0.476 46 Y N 6.608 126.987 120.300 0.132 0.000 2.499 46 Y HA 0.597 5.146 4.550 -0.001 0.000 0.347 46 Y C -2.103 174.019 175.900 0.370 0.000 0.987 46 Y CA -2.142 56.086 58.100 0.214 0.000 1.044 46 Y CB 2.518 41.013 38.460 0.058 0.000 1.245 46 Y HN 0.503 nan 8.280 nan 0.000 0.461 47 P HA 0.128 nan 4.420 nan 0.000 0.278 47 P C 0.135 177.688 177.300 0.422 0.000 1.266 47 P CA -0.321 63.084 63.100 0.509 0.000 0.807 47 P CB 1.441 33.410 31.700 0.448 0.000 1.094 48 T N -3.492 111.223 114.554 0.268 0.000 3.040 48 T HA 0.305 4.655 4.350 -0.001 0.000 0.250 48 T C 0.157 174.839 174.700 -0.029 0.000 1.058 48 T CA 0.227 62.420 62.100 0.155 0.000 0.988 48 T CB -0.445 68.482 68.868 0.098 0.000 0.993 48 T HN 0.232 nan 8.240 nan 0.000 0.519 49 F N 1.258 121.257 119.950 0.081 0.000 2.588 49 F HA 0.481 5.008 4.527 -0.001 0.000 0.310 49 F C -0.719 175.135 175.800 0.089 0.000 1.082 49 F CA -1.435 56.600 58.000 0.057 0.000 0.929 49 F CB 1.708 40.728 39.000 0.033 0.000 1.254 49 F HN -0.138 nan 8.300 nan 0.000 0.455 50 D N 2.530 123.079 120.400 0.249 0.000 2.351 50 D HA 0.345 4.985 4.640 -0.001 0.000 0.251 50 D C -0.337 176.070 176.300 0.177 0.000 1.137 50 D CA 0.110 54.220 54.000 0.183 0.000 0.879 50 D CB 1.377 42.238 40.800 0.102 0.000 1.181 50 D HN 0.461 nan 8.370 nan 0.000 0.448 51 R N 0.569 121.165 120.500 0.159 0.000 2.604 51 R HA 0.441 4.780 4.340 -0.001 0.000 0.270 51 R C -1.333 175.047 176.300 0.135 0.000 1.052 51 R CA -0.525 55.657 56.100 0.136 0.000 0.902 51 R CB 1.272 31.662 30.300 0.150 0.000 1.233 51 R HN 0.543 nan 8.270 nan 0.000 0.455 52 S N 1.269 117.040 115.700 0.119 0.000 2.661 52 S HA 0.620 5.089 4.470 -0.001 0.000 0.285 52 S C -1.034 173.673 174.600 0.178 0.000 1.138 52 S CA -0.772 57.522 58.200 0.156 0.000 0.855 52 S CB 2.048 65.324 63.200 0.127 0.000 1.136 52 S HN 0.251 nan 8.310 nan 0.000 0.484 53 V N 1.730 121.780 119.914 0.228 0.000 2.427 53 V HA 0.541 4.661 4.120 -0.001 0.000 0.286 53 V C -0.924 175.329 176.094 0.264 0.000 1.034 53 V CA -0.501 61.941 62.300 0.236 0.000 0.893 53 V CB 0.906 32.870 31.823 0.234 0.000 0.982 53 V HN 0.754 nan 8.190 nan 0.000 0.452 54 L N 5.261 126.672 121.223 0.313 0.000 2.342 54 L HA 0.689 5.028 4.340 -0.001 0.000 0.271 54 L C -0.350 176.792 176.870 0.453 0.000 1.008 54 L CA -0.369 54.710 54.840 0.398 0.000 0.818 54 L CB 2.143 44.460 42.059 0.430 0.000 1.296 54 L HN 0.356 nan 8.230 nan 0.000 0.427 55 V N 2.267 122.421 119.914 0.399 0.000 2.444 55 V HA 0.514 4.634 4.120 -0.001 0.000 0.294 55 V C -0.267 175.840 176.094 0.022 0.000 1.022 55 V CA -0.745 61.682 62.300 0.213 0.000 0.850 55 V CB 1.749 33.653 31.823 0.136 0.000 0.992 55 V HN 0.676 nan 8.190 nan 0.000 0.426 56 R N 5.102 125.462 120.500 -0.233 0.000 2.255 56 R HA 0.669 5.008 4.340 -0.001 0.000 0.326 56 R C -0.717 175.356 176.300 -0.379 0.000 0.986 56 R CA -0.413 55.213 56.100 -0.790 0.000 0.847 56 R CB 1.015 30.729 30.300 -0.976 0.000 1.111 56 R HN 0.781 nan 8.270 nan 0.000 0.452 57 M N 3.820 123.218 119.600 -0.336 0.000 2.243 57 M HA 0.368 4.847 4.480 -0.001 0.000 0.324 57 M C -1.407 174.801 176.300 -0.153 0.000 1.031 57 M CA -0.261 54.936 55.300 -0.171 0.000 0.949 57 M CB 2.209 34.755 32.600 -0.091 0.000 1.615 57 M HN 0.591 nan 8.290 nan 0.000 0.430 58 T N 2.530 117.020 114.554 -0.107 0.000 2.848 58 T HA 0.437 4.787 4.350 -0.001 0.000 0.285 58 T C -0.114 174.556 174.700 -0.050 0.000 0.995 58 T CA -0.717 61.336 62.100 -0.079 0.000 0.970 58 T CB 1.513 70.337 68.868 -0.074 0.000 0.976 58 T HN 0.772 nan 8.240 nan 0.000 0.441 59 T N 0.385 114.918 114.554 -0.035 0.000 2.828 59 T HA 0.289 4.638 4.350 -0.001 0.000 0.290 59 T C 1.250 175.937 174.700 -0.021 0.000 1.019 59 T CA -0.550 61.534 62.100 -0.026 0.000 1.031 59 T CB 0.819 69.676 68.868 -0.018 0.000 1.001 59 T HN 0.603 nan 8.240 nan 0.000 0.531 60 E N 0.787 120.976 120.200 -0.019 0.000 2.118 60 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 60 E C 2.289 178.883 176.600 -0.010 0.000 0.992 60 E CA 1.259 57.650 56.400 -0.015 0.000 0.804 60 E CB -0.381 29.311 29.700 -0.014 0.000 0.741 60 E HN 0.813 nan 8.360 nan 0.000 0.458 61 A N -0.108 122.707 122.820 -0.008 0.000 2.167 61 A HA 0.173 4.492 4.320 -0.001 0.000 0.214 61 A C 1.754 179.337 177.584 -0.001 0.000 1.151 61 A CA 1.024 53.059 52.037 -0.003 0.000 0.735 61 A CB -0.145 18.855 19.000 -0.001 0.000 0.802 61 A HN 0.368 nan 8.150 nan 0.000 0.467 62 G N -1.931 106.867 108.800 -0.004 0.000 2.148 62 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.203 62 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.203 62 G C 0.255 175.157 174.900 0.003 0.000 0.993 62 G CA 0.141 45.240 45.100 -0.001 0.000 0.661 62 G HN 0.531 nan 8.290 nan 0.000 0.518 63 T N 0.952 115.507 114.554 0.002 0.000 2.870 63 T HA 0.460 4.810 4.350 -0.001 0.000 0.300 63 T C 0.382 175.079 174.700 -0.004 0.000 0.989 63 T CA 0.124 62.230 62.100 0.010 0.000 1.139 63 T CB 2.200 71.075 68.868 0.013 0.000 0.920 63 T HN 0.450 nan 8.240 nan 0.000 0.537 64 V N 3.413 123.332 119.914 0.008 0.000 2.357 64 V HA 0.657 4.776 4.120 -0.001 0.000 0.284 64 V C 0.709 176.798 176.094 -0.007 0.000 1.018 64 V CA -0.702 61.576 62.300 -0.037 0.000 0.841 64 V CB 1.488 33.311 31.823 -0.001 0.000 0.991 64 V HN 1.028 nan 8.190 nan 0.000 0.437 65 G N 3.251 112.005 108.800 -0.076 0.000 2.432 65 G HA2 0.647 4.606 3.960 -0.001 0.000 0.331 65 G HA3 0.647 4.606 3.960 -0.001 0.000 0.331 65 G C -1.845 173.006 174.900 -0.081 0.000 1.170 65 G CA -0.528 44.580 45.100 0.013 0.000 0.943 65 G HN 0.578 nan 8.290 nan 0.000 0.483 66 W N -0.151 121.189 121.300 0.067 0.000 2.819 66 W HA 0.643 5.302 4.660 -0.001 0.000 0.337 66 W C 0.325 176.896 176.519 0.087 0.000 1.077 66 W CA -0.366 57.021 57.345 0.070 0.000 1.226 66 W CB 2.834 32.315 29.460 0.035 0.000 1.419 66 W HN 0.829 nan 8.180 nan 0.000 0.502 67 G N 0.940 109.951 108.800 0.351 0.000 2.714 67 G HA2 0.733 4.692 3.960 -0.001 0.000 0.292 67 G HA3 0.733 4.692 3.960 -0.001 0.000 0.292 67 G C -1.815 173.270 174.900 0.308 0.000 1.308 67 G CA -0.595 44.675 45.100 0.283 0.000 0.964 67 G HN 0.377 nan 8.290 nan 0.000 0.484 68 E N -1.334 119.052 120.200 0.310 0.000 2.375 68 E HA 0.555 4.904 4.350 -0.001 0.000 0.280 68 E C -1.495 175.407 176.600 0.504 0.000 0.972 68 E CA -0.562 56.054 56.400 0.360 0.000 0.782 68 E CB 2.599 32.422 29.700 0.204 0.000 1.229 68 E HN 0.568 nan 8.360 nan 0.000 0.439 69 T N 0.898 115.728 114.554 0.460 0.000 2.681 69 T HA 0.385 4.734 4.350 -0.001 0.000 0.296 69 T C -1.351 173.570 174.700 0.368 0.000 1.157 69 T CA -0.450 61.872 62.100 0.370 0.000 1.025 69 T CB 0.284 69.328 68.868 0.293 0.000 1.441 69 T HN 0.338 nan 8.240 nan 0.000 0.504 70 Y N 0.532 120.885 120.300 0.088 0.000 2.712 70 Y HA 0.397 4.946 4.550 -0.001 0.000 0.333 70 Y C 1.506 177.536 175.900 0.216 0.000 1.225 70 Y CA 1.246 59.418 58.100 0.121 0.000 1.499 70 Y CB 0.522 39.002 38.460 0.035 0.000 1.288 70 Y HN 0.735 nan 8.280 nan 0.000 0.575 71 G N 2.651 111.637 108.800 0.308 0.000 4.385 71 G HA2 0.081 4.041 3.960 -0.001 0.000 0.283 71 G HA3 0.081 4.041 3.960 -0.001 0.000 0.283 71 G C 0.955 176.023 174.900 0.280 0.000 1.020 71 G CA 0.133 45.404 45.100 0.284 0.000 0.790 71 G HN 0.726 nan 8.290 nan 0.000 0.420 72 I N -1.539 119.214 120.570 0.305 0.000 2.394 72 I HA 0.145 4.315 4.170 -0.001 0.000 0.251 72 I C 0.063 176.414 176.117 0.390 0.000 1.136 72 I CA 0.655 62.145 61.300 0.317 0.000 1.425 72 I CB -0.247 37.932 38.000 0.298 0.000 1.079 72 I HN -0.150 nan 8.210 nan 0.000 0.425 73 V N 1.264 121.380 119.914 0.336 0.000 2.588 73 V HA 0.659 4.779 4.120 -0.001 0.000 0.304 73 V C 0.561 176.794 176.094 0.231 0.000 1.042 73 V CA -0.826 61.620 62.300 0.244 0.000 0.877 73 V CB 1.240 33.081 31.823 0.031 0.000 0.996 73 V HN 0.411 nan 8.190 nan 0.000 0.425 74 A N 5.908 128.843 122.820 0.192 0.000 2.415 74 A HA -0.106 4.214 4.320 -0.001 0.000 0.292 74 A C -0.659 176.957 177.584 0.054 0.000 1.452 74 A CA 0.820 52.901 52.037 0.074 0.000 0.750 74 A CB -1.138 17.814 19.000 -0.081 0.000 1.099 74 A HN 0.788 nan 8.150 nan 0.000 0.391 75 P HA -0.096 nan 4.420 nan 0.000 0.225 75 P C 1.651 178.990 177.300 0.064 0.000 1.148 75 P CA 1.445 64.624 63.100 0.133 0.000 0.779 75 P CB -0.323 31.467 31.700 0.150 0.000 0.780 76 G N 0.590 109.405 108.800 0.025 0.000 2.479 76 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.220 76 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.220 76 G C 1.682 176.550 174.900 -0.053 0.000 1.115 76 G CA 0.821 45.915 45.100 -0.010 0.000 0.757 76 G HN 0.371 nan 8.290 nan 0.000 0.560 77 A N 0.228 122.971 122.820 -0.129 0.000 1.841 77 A HA 0.100 4.419 4.320 -0.001 0.000 0.214 77 A C 2.573 180.118 177.584 -0.066 0.000 1.195 77 A CA 1.653 53.560 52.037 -0.217 0.000 0.611 77 A CB -0.768 17.841 19.000 -0.652 0.000 0.835 77 A HN 0.217 nan 8.150 nan 0.000 0.443 78 V N 0.049 119.980 119.914 0.030 0.000 2.332 78 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 78 V C 3.056 179.190 176.094 0.066 0.000 1.055 78 V CA 2.060 64.429 62.300 0.115 0.000 1.038 78 V CB -1.161 30.783 31.823 0.202 0.000 0.651 78 V HN 0.630 nan 8.190 nan 0.000 0.450 79 A N -0.219 122.627 122.820 0.044 0.000 1.877 79 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 79 A C 2.438 180.023 177.584 0.001 0.000 1.186 79 A CA 2.096 54.144 52.037 0.019 0.000 0.620 79 A CB -0.818 18.187 19.000 0.008 0.000 0.822 79 A HN 0.577 nan 8.150 nan 0.000 0.443 80 A N -0.151 122.665 122.820 -0.007 0.000 1.877 80 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 80 A C 2.178 179.765 177.584 0.005 0.000 1.186 80 A CA 1.558 53.588 52.037 -0.011 0.000 0.620 80 A CB -0.713 18.271 19.000 -0.026 0.000 0.822 80 A HN 0.478 nan 8.150 nan 0.000 0.443 81 L N -0.711 120.524 121.223 0.021 0.000 2.043 81 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 81 L C 2.521 179.415 176.870 0.040 0.000 1.075 81 L CA 1.557 56.425 54.840 0.047 0.000 0.752 81 L CB -0.524 41.582 42.059 0.078 0.000 0.891 81 L HN 0.415 nan 8.230 nan 0.000 0.432 82 I N -0.518 120.068 120.570 0.028 0.000 2.235 82 I HA -0.237 3.933 4.170 -0.001 0.000 0.241 82 I C 2.049 178.173 176.117 0.011 0.000 1.085 82 I CA 1.493 62.806 61.300 0.022 0.000 1.378 82 I CB -0.373 37.639 38.000 0.019 0.000 1.076 82 I HN 0.280 nan 8.210 nan 0.000 0.415 83 N N 0.550 119.246 118.700 -0.007 0.000 2.084 83 N HA -0.239 4.500 4.740 -0.001 0.000 0.190 83 N C 1.451 176.955 175.510 -0.010 0.000 1.030 83 N CA 1.679 54.715 53.050 -0.023 0.000 0.849 83 N CB -0.076 38.388 38.487 -0.037 0.000 1.012 83 N HN 0.324 nan 8.380 nan 0.000 0.423 84 D N -0.229 120.172 120.400 0.002 0.000 2.120 84 D HA -0.050 4.590 4.640 -0.001 0.000 0.202 84 D C 1.628 177.952 176.300 0.040 0.000 0.972 84 D CA 0.607 54.612 54.000 0.009 0.000 0.837 84 D CB 0.174 40.976 40.800 0.003 0.000 0.989 84 D HN 0.100 nan 8.370 nan 0.000 0.469 85 L N -0.664 120.604 121.223 0.074 0.000 2.356 85 L HA 0.316 4.655 4.340 -0.001 0.000 0.193 85 L C 1.825 178.838 176.870 0.239 0.000 1.087 85 L CA 0.801 55.736 54.840 0.158 0.000 0.817 85 L CB -0.491 41.651 42.059 0.137 0.000 1.035 85 L HN 0.073 nan 8.230 nan 0.000 0.482 86 L N -0.042 121.275 121.223 0.157 0.000 2.162 86 L HA 0.082 4.422 4.340 -0.001 0.000 0.205 86 L C 2.649 179.610 176.870 0.151 0.000 1.086 86 L CA 0.889 55.831 54.840 0.169 0.000 0.778 86 L CB -0.826 41.265 42.059 0.053 0.000 0.928 86 L HN 0.357 nan 8.230 nan 0.000 0.446 87 A N 0.616 123.478 122.820 0.070 0.000 1.908 87 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 87 A C 2.383 179.965 177.584 -0.003 0.000 1.181 87 A CA 1.784 53.834 52.037 0.022 0.000 0.627 87 A CB -1.259 17.733 19.000 -0.014 0.000 0.818 87 A HN 0.429 nan 8.150 nan 0.000 0.445 88 G N -1.728 107.045 108.800 -0.045 0.000 2.448 88 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.219 88 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.219 88 G C 1.194 175.922 174.900 -0.287 0.000 1.127 88 G CA 0.960 45.943 45.100 -0.195 0.000 0.766 88 G HN 0.465 nan 8.290 nan 0.000 0.552 89 F N -0.088 119.857 119.950 -0.010 0.000 2.664 89 F HA 0.167 4.694 4.527 -0.000 0.000 0.296 89 F C 2.389 178.184 175.800 -0.007 0.000 1.125 89 F CA 0.108 58.105 58.000 -0.006 0.000 1.444 89 F CB 0.347 39.348 39.000 0.001 0.000 1.114 89 F HN -0.022 nan 8.300 nan 0.000 0.576 90 V N -0.140 119.848 119.914 0.124 0.000 2.599 90 V HA -0.033 4.086 4.120 -0.001 0.000 0.245 90 V C 1.107 177.212 176.094 0.018 0.000 1.046 90 V CA 0.284 62.623 62.300 0.066 0.000 1.065 90 V CB -0.210 31.643 31.823 0.049 0.000 0.703 90 V HN 0.000 nan 8.190 nan 0.000 0.464 91 I N 1.383 121.946 120.570 -0.011 0.000 2.683 91 I HA 0.308 4.478 4.170 -0.001 0.000 0.286 91 I C 1.490 177.588 176.117 -0.033 0.000 1.175 91 I CA 1.454 62.734 61.300 -0.033 0.000 1.429 91 I CB 0.264 38.231 38.000 -0.054 0.000 1.371 91 I HN 0.408 nan 8.210 nan 0.000 0.569 92 G N 4.728 113.513 108.800 -0.026 0.000 2.258 92 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.233 92 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.233 92 G C 0.594 175.489 174.900 -0.009 0.000 1.006 92 G CA -0.550 44.537 45.100 -0.021 0.000 0.620 92 G HN 0.467 nan 8.290 nan 0.000 0.511 93 R N 1.612 122.111 120.500 -0.001 0.000 2.649 93 R HA 0.563 4.902 4.340 -0.001 0.000 0.270 93 R C 0.277 176.569 176.300 -0.014 0.000 1.105 93 R CA 0.553 56.654 56.100 0.002 0.000 1.193 93 R CB 0.434 30.743 30.300 0.016 0.000 1.120 93 R HN 0.671 nan 8.270 nan 0.000 0.561 94 D N -2.007 118.380 120.400 -0.022 0.000 2.585 94 D HA 0.395 5.035 4.640 -0.001 0.000 0.254 94 D C -0.451 175.812 176.300 -0.063 0.000 1.067 94 D CA -0.815 53.163 54.000 -0.036 0.000 1.090 94 D CB 0.796 41.578 40.800 -0.030 0.000 1.408 94 D HN 0.333 nan 8.370 nan 0.000 0.554 95 A N -0.422 122.351 122.820 -0.078 0.000 2.462 95 A HA 0.245 4.565 4.320 -0.001 0.000 0.261 95 A C 1.536 179.027 177.584 -0.154 0.000 1.323 95 A CA 0.426 52.381 52.037 -0.136 0.000 0.913 95 A CB -1.060 17.870 19.000 -0.118 0.000 1.028 95 A HN 0.519 nan 8.150 nan 0.000 0.511 96 S N -0.573 115.065 115.700 -0.104 0.000 2.399 96 S HA -0.105 4.365 4.470 -0.001 0.000 0.231 96 S C 0.568 175.098 174.600 -0.118 0.000 1.022 96 S CA 1.317 59.466 58.200 -0.085 0.000 0.983 96 S CB -0.019 63.154 63.200 -0.045 0.000 0.803 96 S HN 0.401 nan 8.310 nan 0.000 0.480 97 D N 0.940 121.250 120.400 -0.150 0.000 2.586 97 D HA 0.401 5.041 4.640 -0.001 0.000 0.254 97 D C -2.474 173.688 176.300 -0.230 0.000 1.248 97 D CA -2.080 51.825 54.000 -0.158 0.000 0.843 97 D CB 1.460 42.226 40.800 -0.057 0.000 1.332 97 D HN -0.030 nan 8.370 nan 0.000 0.523 98 P HA -0.085 nan 4.420 nan 0.000 0.216 98 P C 1.345 178.531 177.300 -0.190 0.000 1.150 98 P CA 0.828 63.608 63.100 -0.533 0.000 0.837 98 P CB 0.430 31.298 31.700 -1.386 0.000 0.786 99 S N -0.442 115.220 115.700 -0.063 0.000 2.399 99 S HA -0.114 4.356 4.470 -0.001 0.000 0.231 99 S C 2.035 176.747 174.600 0.187 0.000 1.022 99 S CA 1.219 59.535 58.200 0.193 0.000 0.983 99 S CB -0.975 62.385 63.200 0.267 0.000 0.803 99 S HN 0.162 nan 8.310 nan 0.000 0.480 100 A N 1.266 124.139 122.820 0.089 0.000 1.902 100 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 100 A C 2.322 179.956 177.584 0.082 0.000 1.181 100 A CA 1.501 53.587 52.037 0.082 0.000 0.623 100 A CB -0.873 18.151 19.000 0.040 0.000 0.818 100 A HN 0.351 nan 8.150 nan 0.000 0.443 101 V N -1.216 118.734 119.914 0.059 0.000 2.295 101 V HA -0.297 3.823 4.120 -0.001 0.000 0.246 101 V C 2.366 178.519 176.094 0.097 0.000 1.049 101 V CA 2.115 64.452 62.300 0.062 0.000 1.024 101 V CB -1.183 30.659 31.823 0.032 0.000 0.648 101 V HN 0.725 nan 8.190 nan 0.000 0.447 102 Y N 1.649 121.989 120.300 0.067 0.000 2.114 102 Y HA -0.306 4.244 4.550 -0.001 0.000 0.282 102 Y C 2.359 178.350 175.900 0.152 0.000 1.165 102 Y CA 2.261 60.428 58.100 0.112 0.000 1.148 102 Y CB -0.479 38.064 38.460 0.138 0.000 0.972 102 Y HN 0.300 nan 8.280 nan 0.000 0.504 103 D N 0.196 120.651 120.400 0.090 0.000 2.117 103 D HA -0.172 4.468 4.640 -0.001 0.000 0.197 103 D C 1.772 178.088 176.300 0.025 0.000 0.987 103 D CA 1.650 55.687 54.000 0.062 0.000 0.829 103 D CB -0.427 40.482 40.800 0.181 0.000 0.961 103 D HN 0.464 nan 8.370 nan 0.000 0.460 104 D N 0.231 120.644 120.400 0.022 0.000 2.104 104 D HA -0.100 4.539 4.640 -0.001 0.000 0.194 104 D C 2.384 178.652 176.300 -0.054 0.000 0.994 104 D CA 0.446 54.445 54.000 -0.002 0.000 0.830 104 D CB -0.352 40.455 40.800 0.012 0.000 0.959 104 D HN 0.239 nan 8.370 nan 0.000 0.452 105 L N -0.392 120.788 121.223 -0.072 0.000 2.046 105 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 105 L C 2.489 179.355 176.870 -0.006 0.000 1.077 105 L CA 1.081 55.871 54.840 -0.083 0.000 0.747 105 L CB -0.605 41.400 42.059 -0.090 0.000 0.896 105 L HN 0.069 nan 8.230 nan 0.000 0.432 106 Y N 1.380 121.540 120.300 -0.234 0.000 2.128 106 Y HA -0.298 4.252 4.550 -0.001 0.000 0.284 106 Y C 2.261 178.174 175.900 0.022 0.000 1.154 106 Y CA 1.822 59.873 58.100 -0.082 0.000 1.149 106 Y CB -0.242 38.022 38.460 -0.326 0.000 0.976 106 Y HN 0.208 nan 8.280 nan 0.000 0.505 107 D N -0.158 120.265 120.400 0.039 0.000 2.263 107 D HA -0.196 4.443 4.640 -0.001 0.000 0.208 107 D C 2.118 178.336 176.300 -0.137 0.000 0.971 107 D CA 1.298 55.274 54.000 -0.039 0.000 0.867 107 D CB -0.293 40.527 40.800 0.032 0.000 0.929 107 D HN 0.485 nan 8.370 nan 0.000 0.492 108 M N -0.875 118.637 119.600 -0.145 0.000 2.213 108 M HA -0.088 4.391 4.480 -0.001 0.000 0.263 108 M C 1.250 177.413 176.300 -0.229 0.000 1.062 108 M CA 1.063 56.245 55.300 -0.198 0.000 1.105 108 M CB 0.094 32.543 32.600 -0.252 0.000 1.385 108 M HN -0.002 nan 8.290 nan 0.000 0.417 109 M N -1.173 118.236 119.600 -0.318 0.000 2.300 109 M HA 0.128 4.607 4.480 -0.001 0.000 0.313 109 M C 1.681 177.774 176.300 -0.345 0.000 0.988 109 M CA 0.290 55.348 55.300 -0.402 0.000 1.012 109 M CB -0.123 31.971 32.600 -0.843 0.000 1.586 109 M HN 0.289 nan 8.290 nan 0.000 0.562 110 R N 1.230 121.479 120.500 -0.417 0.000 2.096 110 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 110 R C 1.622 177.753 176.300 -0.282 0.000 1.127 110 R CA 2.012 57.845 56.100 -0.446 0.000 0.968 110 R CB -1.325 28.655 30.300 -0.532 0.000 0.861 110 R HN 0.281 nan 8.270 nan 0.000 0.440 111 V N -0.904 118.884 119.914 -0.210 0.000 2.970 111 V HA 0.019 4.138 4.120 -0.001 0.000 0.260 111 V C 1.684 177.684 176.094 -0.157 0.000 1.100 111 V CA 1.066 63.266 62.300 -0.166 0.000 1.122 111 V CB -0.580 31.169 31.823 -0.124 0.000 0.721 111 V HN 0.237 nan 8.190 nan 0.000 0.483 112 R N 0.889 121.305 120.500 -0.140 0.000 2.317 112 R HA 0.364 4.704 4.340 -0.001 0.000 0.208 112 R C 1.616 177.691 176.300 -0.375 0.000 0.914 112 R CA 0.594 56.614 56.100 -0.133 0.000 1.060 112 R CB 0.282 30.640 30.300 0.096 0.000 1.015 112 R HN 0.738 nan 8.270 nan 0.000 0.498 113 G N 0.547 109.131 108.800 -0.359 0.000 2.141 113 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.231 113 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.231 113 G C -0.226 174.370 174.900 -0.507 0.000 0.984 113 G CA -0.387 44.458 45.100 -0.425 0.000 0.660 113 G HN 0.372 nan 8.290 nan 0.000 0.525 114 Y N 1.942 122.071 120.300 -0.284 0.000 2.826 114 Y HA 0.395 4.944 4.550 -0.001 0.000 0.371 114 Y C 1.975 177.746 175.900 -0.215 0.000 1.252 114 Y CA 0.486 58.414 58.100 -0.286 0.000 1.813 114 Y CB 0.005 38.153 38.460 -0.521 0.000 1.913 114 Y HN 0.278 nan 8.280 nan 0.000 0.447 115 T N -3.660 110.879 114.554 -0.026 0.000 3.069 115 T HA 0.527 4.876 4.350 -0.001 0.000 0.252 115 T C 1.002 175.872 174.700 0.284 0.000 1.053 115 T CA 0.319 62.473 62.100 0.090 0.000 0.964 115 T CB 0.394 69.271 68.868 0.014 0.000 1.005 115 T HN 0.503 nan 8.240 nan 0.000 0.532 116 G N -0.331 108.593 108.800 0.206 0.000 2.894 116 G HA2 0.568 4.528 3.960 -0.001 0.000 0.164 116 G HA3 0.568 4.528 3.960 -0.001 0.000 0.164 116 G C 0.492 175.472 174.900 0.133 0.000 1.180 116 G CA 0.019 45.217 45.100 0.163 0.000 0.997 116 G HN 0.696 nan 8.290 nan 0.000 0.572 117 G N -0.181 108.600 108.800 -0.031 0.000 2.652 117 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.318 117 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.318 117 G C 0.987 175.803 174.900 -0.140 0.000 1.295 117 G CA 1.273 46.275 45.100 -0.164 0.000 0.999 117 G HN 0.909 nan 8.290 nan 0.000 0.548 118 F N -0.835 119.181 119.950 0.111 0.000 2.325 118 F HA 0.153 4.680 4.527 -0.001 0.000 0.299 118 F C 2.372 178.280 175.800 0.180 0.000 1.090 118 F CA 1.702 59.782 58.000 0.134 0.000 1.392 118 F CB -0.572 38.498 39.000 0.118 0.000 1.053 118 F HN 0.423 nan 8.300 nan 0.000 0.521 119 Y N 0.448 120.902 120.300 0.256 0.000 2.114 119 Y HA -0.220 4.330 4.550 -0.001 0.000 0.284 119 Y C 2.343 178.366 175.900 0.204 0.000 1.143 119 Y CA 1.586 59.798 58.100 0.187 0.000 1.135 119 Y CB -0.618 37.936 38.460 0.156 0.000 0.980 119 Y HN -0.147 nan 8.280 nan 0.000 0.499 120 V N 0.154 120.226 119.914 0.264 0.000 2.548 120 V HA -0.219 3.900 4.120 -0.001 0.000 0.249 120 V C 1.921 178.130 176.094 0.192 0.000 1.055 120 V CA 1.736 64.181 62.300 0.242 0.000 1.065 120 V CB -0.669 31.351 31.823 0.329 0.000 0.681 120 V HN 0.331 nan 8.190 nan 0.000 0.462 121 D N 1.131 121.637 120.400 0.177 0.000 2.126 121 D HA -0.221 4.418 4.640 -0.001 0.000 0.190 121 D C 2.244 178.658 176.300 0.190 0.000 1.001 121 D CA 2.008 56.132 54.000 0.206 0.000 0.841 121 D CB -0.375 40.570 40.800 0.243 0.000 0.949 121 D HN 0.445 nan 8.370 nan 0.000 0.446 122 A N 0.428 123.334 122.820 0.143 0.000 1.902 122 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 122 A C 2.444 180.064 177.584 0.060 0.000 1.181 122 A CA 0.974 53.063 52.037 0.086 0.000 0.623 122 A CB -0.758 18.247 19.000 0.009 0.000 0.818 122 A HN 0.243 nan 8.150 nan 0.000 0.443 123 L N -0.800 120.434 121.223 0.018 0.000 2.083 123 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 123 L C 3.082 180.098 176.870 0.242 0.000 1.083 123 L CA 0.989 55.901 54.840 0.120 0.000 0.752 123 L CB -0.739 41.431 42.059 0.186 0.000 0.899 123 L HN 0.455 nan 8.230 nan 0.000 0.433 124 A N 0.449 123.403 122.820 0.224 0.000 1.883 124 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 124 A C 2.586 180.297 177.584 0.211 0.000 1.186 124 A CA 1.913 54.075 52.037 0.209 0.000 0.624 124 A CB -0.744 18.371 19.000 0.191 0.000 0.822 124 A HN 0.394 nan 8.150 nan 0.000 0.444 125 A N -0.387 122.558 122.820 0.208 0.000 1.902 125 A HA -0.053 4.267 4.320 -0.001 0.000 0.217 125 A C 2.183 179.881 177.584 0.189 0.000 1.181 125 A CA 1.580 53.747 52.037 0.216 0.000 0.623 125 A CB -0.627 18.500 19.000 0.213 0.000 0.818 125 A HN 0.483 nan 8.150 nan 0.000 0.443 126 L N -0.890 120.430 121.223 0.161 0.000 2.093 126 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 126 L C 2.348 179.316 176.870 0.164 0.000 1.085 126 L CA 1.732 56.653 54.840 0.135 0.000 0.755 126 L CB -0.539 41.584 42.059 0.106 0.000 0.904 126 L HN 0.487 nan 8.230 nan 0.000 0.435 127 D N 0.417 120.950 120.400 0.221 0.000 2.117 127 D HA -0.163 4.476 4.640 -0.001 0.000 0.198 127 D C 2.200 178.705 176.300 0.343 0.000 0.982 127 D CA 1.068 55.235 54.000 0.278 0.000 0.828 127 D CB 0.089 41.074 40.800 0.308 0.000 0.967 127 D HN 0.217 nan 8.370 nan 0.000 0.464 128 I N 0.555 121.295 120.570 0.283 0.000 2.179 128 I HA -0.239 3.931 4.170 -0.001 0.000 0.242 128 I C 2.506 178.778 176.117 0.257 0.000 1.088 128 I CA 1.071 62.535 61.300 0.273 0.000 1.357 128 I CB -0.374 37.758 38.000 0.220 0.000 1.051 128 I HN 0.069 nan 8.210 nan 0.000 0.409 129 A N 0.585 123.528 122.820 0.205 0.000 1.908 129 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 129 A C 2.243 179.897 177.584 0.116 0.000 1.181 129 A CA 1.586 53.714 52.037 0.151 0.000 0.627 129 A CB -0.792 18.266 19.000 0.096 0.000 0.818 129 A HN 0.348 nan 8.150 nan 0.000 0.445 130 L N -1.785 119.496 121.223 0.095 0.000 2.056 130 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 130 L C 2.187 179.042 176.870 -0.026 0.000 1.078 130 L CA 1.625 56.462 54.840 -0.005 0.000 0.749 130 L CB -0.830 41.183 42.059 -0.077 0.000 0.901 130 L HN 0.616 nan 8.230 nan 0.000 0.433 131 W N -0.253 121.082 121.300 0.059 0.000 2.363 131 W HA -0.218 4.441 4.660 -0.000 0.000 0.296 131 W C 2.504 179.054 176.519 0.051 0.000 1.212 131 W CA 1.221 58.596 57.345 0.051 0.000 1.260 131 W CB -0.362 29.125 29.460 0.044 0.000 1.131 131 W HN 0.233 nan 8.180 nan 0.000 0.530 132 D N 0.412 120.979 120.400 0.279 0.000 2.097 132 D HA -0.193 4.447 4.640 -0.001 0.000 0.195 132 D C 1.879 178.262 176.300 0.139 0.000 0.989 132 D CA 1.640 55.757 54.000 0.195 0.000 0.827 132 D CB -0.389 40.524 40.800 0.188 0.000 0.966 132 D HN 0.101 nan 8.370 nan 0.000 0.456 133 I N 0.551 121.179 120.570 0.098 0.000 2.163 133 I HA -0.286 3.884 4.170 -0.001 0.000 0.243 133 I C 2.539 178.683 176.117 0.046 0.000 1.085 133 I CA 1.224 62.555 61.300 0.051 0.000 1.347 133 I CB -0.362 37.645 38.000 0.011 0.000 1.044 133 I HN 0.028 nan 8.210 nan 0.000 0.408 134 A N 0.879 123.719 122.820 0.034 0.000 1.883 134 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 134 A C 2.438 180.074 177.584 0.087 0.000 1.186 134 A CA 2.136 54.184 52.037 0.019 0.000 0.624 134 A CB -1.553 17.409 19.000 -0.063 0.000 0.822 134 A HN 0.486 nan 8.150 nan 0.000 0.444 135 G N -1.087 107.800 108.800 0.145 0.000 2.421 135 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 135 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 135 G C 1.618 176.572 174.900 0.091 0.000 1.171 135 G CA 1.010 46.190 45.100 0.134 0.000 0.775 135 G HN 0.641 nan 8.290 nan 0.000 0.543 136 Q N -0.030 119.819 119.800 0.082 0.000 2.124 136 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 136 Q C 2.488 178.518 176.000 0.049 0.000 0.977 136 Q CA 1.281 57.123 55.803 0.064 0.000 0.850 136 Q CB -0.103 28.673 28.738 0.064 0.000 0.901 136 Q HN 0.601 nan 8.270 nan 0.000 0.429 137 E N 0.219 120.445 120.200 0.043 0.000 2.150 137 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 137 E C 1.684 178.304 176.600 0.033 0.000 0.985 137 E CA 0.886 57.304 56.400 0.030 0.000 0.814 137 E CB -0.002 29.708 29.700 0.017 0.000 0.752 137 E HN 0.311 nan 8.360 nan 0.000 0.466 138 A N 0.314 123.160 122.820 0.044 0.000 2.169 138 A HA 0.209 4.529 4.320 -0.001 0.000 0.212 138 A C 1.723 179.334 177.584 0.045 0.000 1.153 138 A CA 0.759 52.824 52.037 0.046 0.000 0.756 138 A CB -0.265 18.772 19.000 0.061 0.000 0.813 138 A HN 0.305 nan 8.150 nan 0.000 0.471 139 G N -0.470 108.358 108.800 0.046 0.000 2.249 139 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.273 139 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.273 139 G C -0.073 174.855 174.900 0.047 0.000 1.036 139 G CA 0.714 45.839 45.100 0.043 0.000 0.824 139 G HN 0.428 nan 8.290 nan 0.000 0.504 140 K N 0.233 120.668 120.400 0.059 0.000 2.426 140 K HA 0.595 4.914 4.320 -0.001 0.000 0.251 140 K C 0.593 177.236 176.600 0.072 0.000 0.941 140 K CA -0.106 56.219 56.287 0.063 0.000 0.808 140 K CB 1.884 34.428 32.500 0.072 0.000 1.265 140 K HN 0.532 nan 8.250 nan 0.000 0.432 141 S N 0.967 116.704 115.700 0.061 0.000 2.579 141 S HA 0.147 4.616 4.470 -0.001 0.000 0.275 141 S C 1.673 176.317 174.600 0.073 0.000 1.345 141 S CA -0.409 57.828 58.200 0.061 0.000 1.031 141 S CB 0.281 63.507 63.200 0.044 0.000 0.892 141 S HN 0.553 nan 8.310 nan 0.000 0.529 142 I N 1.875 122.488 120.570 0.071 0.000 2.151 142 I HA -0.300 3.869 4.170 -0.001 0.000 0.243 142 I C 2.904 179.014 176.117 -0.013 0.000 1.080 142 I CA 2.083 63.415 61.300 0.053 0.000 1.339 142 I CB -0.448 37.557 38.000 0.009 0.000 1.039 142 I HN 0.822 nan 8.210 nan 0.000 0.409 143 R N 0.577 121.069 120.500 -0.013 0.000 2.105 143 R HA -0.203 4.137 4.340 -0.001 0.000 0.239 143 R C 1.575 177.880 176.300 0.009 0.000 1.135 143 R CA 1.923 58.014 56.100 -0.014 0.000 0.967 143 R CB -0.765 29.542 30.300 0.012 0.000 0.861 143 R HN 0.281 nan 8.270 nan 0.000 0.442 144 D N 1.202 121.621 120.400 0.031 0.000 2.117 144 D HA -0.060 4.580 4.640 -0.001 0.000 0.198 144 D C 2.147 178.482 176.300 0.058 0.000 0.982 144 D CA 0.938 54.964 54.000 0.042 0.000 0.828 144 D CB -0.167 40.661 40.800 0.046 0.000 0.967 144 D HN 0.198 nan 8.370 nan 0.000 0.464 145 L N 0.256 121.530 121.223 0.085 0.000 2.127 145 L HA -0.146 4.193 4.340 -0.001 0.000 0.211 145 L C 1.995 178.940 176.870 0.124 0.000 1.089 145 L CA 0.723 55.648 54.840 0.143 0.000 0.757 145 L CB -0.208 42.007 42.059 0.259 0.000 0.899 145 L HN 0.073 nan 8.230 nan 0.000 0.434 146 L N -0.746 120.496 121.223 0.032 0.000 2.627 146 L HA 0.104 4.444 4.340 -0.001 0.000 0.233 146 L C 1.335 178.209 176.870 0.007 0.000 1.144 146 L CA 0.566 55.394 54.840 -0.019 0.000 0.892 146 L CB -0.285 41.692 42.059 -0.136 0.000 1.039 146 L HN 0.468 nan 8.230 nan 0.000 0.442 147 G N -0.652 108.165 108.800 0.028 0.000 2.163 147 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.213 147 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.213 147 G C 0.482 175.394 174.900 0.022 0.000 0.991 147 G CA -0.278 44.838 45.100 0.027 0.000 0.653 147 G HN 0.832 nan 8.290 nan 0.000 0.518 148 G N -1.766 107.046 108.800 0.020 0.000 2.742 148 G HA2 0.613 4.572 3.960 -0.001 0.000 0.686 148 G HA3 0.613 4.572 3.960 -0.001 0.000 0.686 148 G C 0.205 175.119 174.900 0.025 0.000 1.220 148 G CA 0.740 45.854 45.100 0.024 0.000 0.783 148 G HN 2.276 nan 8.290 nan 0.000 0.646 149 G N -0.805 108.016 108.800 0.036 0.000 2.690 149 G HA2 1.009 4.968 3.960 -0.001 0.000 0.291 149 G HA3 1.009 4.968 3.960 -0.001 0.000 0.291 149 G C 0.193 175.135 174.900 0.070 0.000 1.403 149 G CA 0.519 45.651 45.100 0.054 0.000 0.864 149 G HN 2.162 nan 8.290 nan 0.000 0.480 150 V N -1.249 118.726 119.914 0.101 0.000 3.096 150 V HA 0.319 4.438 4.120 -0.001 0.000 0.306 150 V C 0.268 176.418 176.094 0.094 0.000 1.088 150 V CA 0.156 62.520 62.300 0.106 0.000 1.129 150 V CB 1.264 33.176 31.823 0.149 0.000 1.014 150 V HN 0.563 nan 8.190 nan 0.000 0.486 151 D N 0.757 121.184 120.400 0.045 0.000 2.360 151 D HA 0.182 4.822 4.640 -0.001 0.000 0.210 151 D C 0.722 176.971 176.300 -0.086 0.000 1.047 151 D CA 1.184 55.189 54.000 0.009 0.000 0.854 151 D CB 0.574 41.391 40.800 0.028 0.000 0.936 151 D HN 0.946 nan 8.370 nan 0.000 0.514 152 S N -0.220 115.397 115.700 -0.138 0.000 2.565 152 S HA 0.691 5.160 4.470 -0.001 0.000 0.269 152 S C -1.122 173.354 174.600 -0.207 0.000 1.153 152 S CA -1.045 56.909 58.200 -0.410 0.000 0.835 152 S CB 1.484 64.337 63.200 -0.578 0.000 1.122 152 S HN 0.031 nan 8.310 nan 0.000 0.462 153 F N -2.736 117.139 119.950 -0.125 0.000 2.719 153 F HA 0.841 5.368 4.527 -0.001 0.000 0.309 153 F C -3.460 172.318 175.800 -0.036 0.000 1.138 153 F CA -2.368 55.608 58.000 -0.040 0.000 0.943 153 F CB -0.025 39.000 39.000 0.042 0.000 1.304 153 F HN 0.410 nan 8.300 nan 0.000 0.445 154 P HA 0.353 nan 4.420 nan 0.000 0.265 154 P C -0.821 176.665 177.300 0.311 0.000 1.193 154 P CA 0.190 63.369 63.100 0.131 0.000 0.765 154 P CB 0.747 32.513 31.700 0.110 0.000 0.823 155 A N 3.401 126.266 122.820 0.076 0.000 2.306 155 A HA 0.715 5.035 4.320 -0.001 0.000 0.330 155 A C -1.052 176.764 177.584 0.388 0.000 1.146 155 A CA -0.453 51.709 52.037 0.208 0.000 0.827 155 A CB 0.518 19.289 19.000 -0.382 0.000 1.178 155 A HN 0.627 nan 8.150 nan 0.000 0.490 156 Y N -0.598 119.930 120.300 0.381 0.000 2.570 156 Y HA 0.674 5.223 4.550 -0.001 0.000 0.345 156 Y C -0.805 175.205 175.900 0.184 0.000 1.014 156 Y CA -1.483 56.799 58.100 0.304 0.000 1.063 156 Y CB 1.119 39.762 38.460 0.306 0.000 1.272 156 Y HN 0.330 nan 8.280 nan 0.000 0.477 157 V N 3.512 123.389 119.914 -0.063 0.000 2.405 157 V HA 0.068 4.187 4.120 -0.001 0.000 0.264 157 V C 0.824 176.882 176.094 -0.059 0.000 1.048 157 V CA 0.656 62.794 62.300 -0.271 0.000 0.966 157 V CB 0.349 31.962 31.823 -0.350 0.000 1.015 157 V HN 0.977 nan 8.190 nan 0.000 0.477 158 S N 3.026 118.588 115.700 -0.230 0.000 2.593 158 S HA 0.363 4.832 4.470 -0.001 0.000 0.217 158 S C 0.714 175.341 174.600 0.045 0.000 0.966 158 S CA 0.278 58.390 58.200 -0.148 0.000 0.914 158 S CB 0.298 63.327 63.200 -0.285 0.000 0.776 158 S HN 1.087 nan 8.310 nan 0.000 0.523 159 G N 0.117 108.945 108.800 0.046 0.000 2.547 159 G HA2 0.523 4.482 3.960 -0.001 0.000 0.291 159 G HA3 0.523 4.482 3.960 -0.001 0.000 0.291 159 G C -1.886 173.084 174.900 0.116 0.000 1.471 159 G CA -1.019 44.149 45.100 0.113 0.000 0.798 159 G HN 0.244 nan 8.290 nan 0.000 0.504 160 L N 1.841 123.154 121.223 0.149 0.000 2.457 160 L HA 0.346 4.685 4.340 -0.001 0.000 0.252 160 L C -2.154 174.783 176.870 0.111 0.000 1.132 160 L CA -1.586 53.346 54.840 0.152 0.000 0.938 160 L CB 2.289 44.450 42.059 0.169 0.000 1.246 160 L HN 0.300 nan 8.230 nan 0.000 0.476 161 P HA 0.179 nan 4.420 nan 0.000 0.237 161 P C -0.564 176.762 177.300 0.043 0.000 1.788 161 P CA 0.077 63.215 63.100 0.063 0.000 1.061 161 P CB 0.404 32.136 31.700 0.052 0.000 1.967 162 E N 1.145 121.368 120.200 0.037 0.000 2.359 162 E HA 0.334 4.683 4.350 -0.001 0.000 0.266 162 E C 0.687 177.292 176.600 0.009 0.000 0.920 162 E CA -0.862 55.545 56.400 0.012 0.000 0.788 162 E CB 1.926 31.625 29.700 -0.002 0.000 1.279 162 E HN 0.156 nan 8.360 nan 0.000 0.438 163 R N -0.245 120.253 120.500 -0.002 0.000 2.300 163 R HA 0.092 4.431 4.340 -0.001 0.000 0.199 163 R C 0.752 177.047 176.300 -0.008 0.000 0.920 163 R CA 0.477 56.576 56.100 -0.002 0.000 1.046 163 R CB 0.302 30.600 30.300 -0.003 0.000 0.984 163 R HN 0.547 nan 8.270 nan 0.000 0.493 164 T N -3.214 111.330 114.554 -0.016 0.000 2.924 164 T HA 0.242 4.591 4.350 -0.001 0.000 0.291 164 T C 0.849 175.528 174.700 -0.035 0.000 1.045 164 T CA -0.903 61.182 62.100 -0.025 0.000 1.015 164 T CB 2.020 70.871 68.868 -0.029 0.000 1.103 164 T HN -0.004 nan 8.240 nan 0.000 0.496 165 L N 1.129 122.323 121.223 -0.048 0.000 2.012 165 L HA -0.004 4.335 4.340 -0.001 0.000 0.210 165 L C 2.758 179.581 176.870 -0.078 0.000 1.073 165 L CA 1.684 56.479 54.840 -0.074 0.000 0.748 165 L CB -0.400 41.606 42.059 -0.090 0.000 0.891 165 L HN 0.806 nan 8.230 nan 0.000 0.431 166 K N -0.439 119.922 120.400 -0.066 0.000 2.026 166 K HA -0.198 4.121 4.320 -0.001 0.000 0.208 166 K C 1.988 178.554 176.600 -0.058 0.000 1.048 166 K CA 1.472 57.720 56.287 -0.064 0.000 0.929 166 K CB -0.247 32.221 32.500 -0.053 0.000 0.713 166 K HN 0.528 nan 8.250 nan 0.000 0.439 167 A N 1.393 124.185 122.820 -0.048 0.000 1.930 167 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 167 A C 2.066 179.628 177.584 -0.036 0.000 1.175 167 A CA 1.159 53.170 52.037 -0.044 0.000 0.627 167 A CB -0.363 18.614 19.000 -0.039 0.000 0.815 167 A HN 0.313 nan 8.150 nan 0.000 0.443 168 R N -0.800 119.682 120.500 -0.029 0.000 2.096 168 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 168 R C 2.351 178.634 176.300 -0.028 0.000 1.127 168 R CA 1.083 57.177 56.100 -0.009 0.000 0.968 168 R CB -0.574 29.724 30.300 -0.003 0.000 0.861 168 R HN 0.530 nan 8.270 nan 0.000 0.440 169 G N 1.261 110.019 108.800 -0.069 0.000 2.402 169 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.216 169 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.216 169 G C 1.213 176.068 174.900 -0.075 0.000 1.162 169 G CA 0.343 45.386 45.100 -0.096 0.000 0.777 169 G HN 0.193 nan 8.290 nan 0.000 0.539 170 E N 0.098 120.264 120.200 -0.056 0.000 2.118 170 E HA -0.110 4.239 4.350 -0.001 0.000 0.195 170 E C 2.476 179.064 176.600 -0.020 0.000 0.992 170 E CA 0.658 57.033 56.400 -0.043 0.000 0.804 170 E CB -0.375 29.295 29.700 -0.050 0.000 0.741 170 E HN 0.385 nan 8.360 nan 0.000 0.458 171 L N 0.907 122.123 121.223 -0.013 0.000 2.056 171 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 171 L C 2.219 179.197 176.870 0.181 0.000 1.078 171 L CA 1.879 56.738 54.840 0.032 0.000 0.749 171 L CB -0.743 41.358 42.059 0.070 0.000 0.901 171 L HN 0.025 nan 8.230 nan 0.000 0.433 172 A N -0.571 122.314 122.820 0.109 0.000 1.908 172 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 172 A C 2.468 180.018 177.584 -0.056 0.000 1.181 172 A CA 2.110 54.149 52.037 0.004 0.000 0.627 172 A CB -0.618 18.211 19.000 -0.286 0.000 0.818 172 A HN 0.487 nan 8.150 nan 0.000 0.445 173 K N -1.853 118.509 120.400 -0.063 0.000 2.057 173 K HA -0.185 4.135 4.320 -0.001 0.000 0.206 173 K C 1.909 178.541 176.600 0.053 0.000 1.050 173 K CA 1.534 57.803 56.287 -0.031 0.000 0.935 173 K CB -0.401 32.073 32.500 -0.044 0.000 0.715 173 K HN 0.532 nan 8.250 nan 0.000 0.439 174 Y N -0.156 120.084 120.300 -0.101 0.000 2.102 174 Y HA -0.310 4.239 4.550 -0.001 0.000 0.280 174 Y C 1.572 177.375 175.900 -0.161 0.000 1.178 174 Y CA 2.274 60.243 58.100 -0.217 0.000 1.146 174 Y CB -0.413 37.802 38.460 -0.409 0.000 0.968 174 Y HN 0.181 nan 8.280 nan 0.000 0.504 175 W N 0.479 121.941 121.300 0.271 0.000 2.418 175 W HA -0.142 4.517 4.660 -0.001 0.000 0.292 175 W C 2.752 179.523 176.519 0.420 0.000 1.213 175 W CA 1.203 58.728 57.345 0.300 0.000 1.283 175 W CB -0.571 29.036 29.460 0.245 0.000 1.119 175 W HN 0.122 nan 8.180 nan 0.000 0.542 176 Q N 0.671 120.851 119.800 0.633 0.000 2.112 176 Q HA -0.244 4.096 4.340 -0.001 0.000 0.206 176 Q C 1.275 177.428 176.000 0.254 0.000 0.987 176 Q CA 2.000 58.117 55.803 0.522 0.000 0.858 176 Q CB -0.236 28.694 28.738 0.320 0.000 0.905 176 Q HN 0.159 nan 8.270 nan 0.000 0.420 177 D N -0.369 120.098 120.400 0.111 0.000 2.312 177 D HA -0.063 4.576 4.640 -0.001 0.000 0.211 177 D C 0.659 176.945 176.300 -0.025 0.000 0.964 177 D CA 0.811 54.812 54.000 0.002 0.000 0.877 177 D CB 0.073 40.825 40.800 -0.081 0.000 0.924 177 D HN 0.180 nan 8.370 nan 0.000 0.515 178 R N -0.820 119.702 120.500 0.035 0.000 2.609 178 R HA 0.347 4.687 4.340 -0.001 0.000 0.326 178 R C 0.886 177.239 176.300 0.087 0.000 1.090 178 R CA 0.220 56.345 56.100 0.041 0.000 1.072 178 R CB 0.738 31.036 30.300 -0.003 0.000 1.330 178 R HN 0.083 nan 8.270 nan 0.000 0.572 179 G N -0.107 108.726 108.800 0.054 0.000 2.179 179 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.220 179 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.220 179 G C -0.019 174.761 174.900 -0.200 0.000 0.990 179 G CA -0.645 44.390 45.100 -0.107 0.000 0.646 179 G HN 0.201 nan 8.290 nan 0.000 0.517 180 F N 0.912 120.889 119.950 0.045 0.000 2.399 180 F HA 0.511 5.037 4.527 -0.001 0.000 0.342 180 F C 1.331 177.089 175.800 -0.070 0.000 1.106 180 F CA 0.166 58.129 58.000 -0.061 0.000 1.196 180 F CB 1.168 40.132 39.000 -0.060 0.000 1.163 180 F HN 0.028 nan 8.300 nan 0.000 0.547 181 N N 0.866 119.522 118.700 -0.074 0.000 2.159 181 N HA 0.420 5.160 4.740 -0.001 0.000 0.217 181 N C -0.870 174.467 175.510 -0.290 0.000 1.223 181 N CA -0.169 52.840 53.050 -0.068 0.000 0.896 181 N CB 0.888 39.330 38.487 -0.076 0.000 1.064 181 N HN 0.519 nan 8.380 nan 0.000 0.518 182 A N 0.610 123.000 122.820 -0.717 0.000 2.486 182 A HA 0.773 5.093 4.320 -0.001 0.000 0.300 182 A C -1.706 175.457 177.584 -0.703 0.000 1.048 182 A CA -0.421 51.238 52.037 -0.630 0.000 0.696 182 A CB 1.102 19.705 19.000 -0.662 0.000 1.278 182 A HN 0.077 nan 8.150 nan 0.000 0.405 183 F N 0.325 120.468 119.950 0.322 0.000 2.631 183 F HA 0.723 5.249 4.527 -0.001 0.000 0.308 183 F C -0.088 175.969 175.800 0.429 0.000 1.097 183 F CA -0.564 57.661 58.000 0.375 0.000 0.952 183 F CB 2.606 41.750 39.000 0.239 0.000 1.307 183 F HN 0.605 nan 8.300 nan 0.000 0.450 184 K N 2.053 122.788 120.400 0.559 0.000 2.464 184 K HA 0.708 5.028 4.320 -0.001 0.000 0.253 184 K C -1.872 174.930 176.600 0.336 0.000 0.933 184 K CA -0.627 55.877 56.287 0.362 0.000 0.801 184 K CB 2.221 34.941 32.500 0.367 0.000 1.271 184 K HN 0.582 nan 8.250 nan 0.000 0.430 185 F N 0.642 120.665 119.950 0.122 0.000 2.593 185 F HA 0.806 5.333 4.527 -0.001 0.000 0.320 185 F C -1.040 174.809 175.800 0.082 0.000 1.060 185 F CA -1.214 56.842 58.000 0.093 0.000 0.940 185 F CB 1.537 40.572 39.000 0.057 0.000 1.268 185 F HN 0.434 nan 8.300 nan 0.000 0.475 186 A N 1.585 124.461 122.820 0.094 0.000 2.276 186 A HA 0.432 4.752 4.320 -0.001 0.000 0.300 186 A C 1.053 178.652 177.584 0.026 0.000 1.235 186 A CA 0.070 52.106 52.037 -0.002 0.000 0.867 186 A CB 0.111 19.108 19.000 -0.005 0.000 1.137 186 A HN 1.078 nan 8.150 nan 0.000 0.527 187 T N 0.345 114.836 114.554 -0.104 0.000 2.833 187 T HA -0.063 4.286 4.350 -0.001 0.000 0.269 187 T C -0.762 173.979 174.700 0.068 0.000 1.054 187 T CA 1.634 63.761 62.100 0.045 0.000 1.135 187 T CB -1.240 67.604 68.868 -0.040 0.000 0.869 187 T HN 0.467 nan 8.240 nan 0.000 0.466 188 P HA 0.179 nan 4.420 nan 0.000 0.237 188 P C 1.456 178.755 177.300 -0.002 0.000 1.178 188 P CA 0.071 63.160 63.100 -0.018 0.000 0.766 188 P CB -0.135 31.524 31.700 -0.067 0.000 0.876 189 V N 0.102 120.027 119.914 0.018 0.000 2.302 189 V HA -0.053 4.066 4.120 -0.001 0.000 0.243 189 V C 1.364 177.473 176.094 0.024 0.000 1.036 189 V CA 1.282 63.593 62.300 0.019 0.000 1.020 189 V CB -1.347 30.499 31.823 0.038 0.000 0.657 189 V HN 0.083 nan 8.190 nan 0.000 0.453 190 A N 0.640 123.483 122.820 0.038 0.000 2.488 190 A HA 0.052 4.372 4.320 -0.001 0.000 0.249 190 A C 1.099 178.685 177.584 0.002 0.000 1.083 190 A CA -0.010 52.030 52.037 0.004 0.000 0.768 190 A CB -0.099 18.887 19.000 -0.024 0.000 1.017 190 A HN 0.448 nan 8.150 nan 0.000 0.496 191 D N 1.179 121.575 120.400 -0.007 0.000 2.178 191 D HA -0.110 4.529 4.640 -0.001 0.000 0.201 191 D C 0.642 176.939 176.300 -0.005 0.000 0.980 191 D CA 1.514 55.512 54.000 -0.004 0.000 0.842 191 D CB 0.067 40.862 40.800 -0.007 0.000 0.948 191 D HN 0.616 nan 8.370 nan 0.000 0.472 192 D N -0.248 120.142 120.400 -0.016 0.000 2.349 192 D HA 0.232 4.871 4.640 -0.001 0.000 0.224 192 D C 1.182 177.475 176.300 -0.012 0.000 1.029 192 D CA 0.650 54.639 54.000 -0.019 0.000 0.879 192 D CB 0.553 41.332 40.800 -0.036 0.000 0.906 192 D HN 0.214 nan 8.370 nan 0.000 0.528 193 G N 1.316 110.116 108.800 -0.000 0.000 2.663 193 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.686 193 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.686 193 G C -2.086 172.835 174.900 0.034 0.000 1.288 193 G CA -0.422 44.692 45.100 0.024 0.000 0.836 193 G HN -0.136 nan 8.290 nan 0.000 0.584 194 P HA 0.003 nan 4.420 nan 0.000 0.219 194 P C 2.048 179.409 177.300 0.102 0.000 1.150 194 P CA 2.370 65.595 63.100 0.208 0.000 0.814 194 P CB -0.112 31.748 31.700 0.268 0.000 0.787 195 A N 0.850 123.710 122.820 0.067 0.000 1.908 195 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 195 A C 2.488 179.961 177.584 -0.184 0.000 1.181 195 A CA 2.303 54.352 52.037 0.021 0.000 0.627 195 A CB -1.536 17.530 19.000 0.109 0.000 0.818 195 A HN 0.242 nan 8.150 nan 0.000 0.445 196 A N -0.535 122.196 122.820 -0.149 0.000 1.930 196 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 196 A C 1.985 179.385 177.584 -0.306 0.000 1.175 196 A CA 1.859 53.770 52.037 -0.209 0.000 0.627 196 A CB -0.430 18.497 19.000 -0.122 0.000 0.815 196 A HN 0.657 nan 8.150 nan 0.000 0.443 197 E N -0.234 119.771 120.200 -0.326 0.000 2.047 197 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 197 E C 1.844 178.029 176.600 -0.692 0.000 0.987 197 E CA 1.157 57.246 56.400 -0.519 0.000 0.799 197 E CB -0.246 29.070 29.700 -0.641 0.000 0.752 197 E HN 0.573 nan 8.360 nan 0.000 0.449 198 I N 0.203 120.370 120.570 -0.672 0.000 2.286 198 I HA -0.240 3.929 4.170 -0.001 0.000 0.248 198 I C 2.192 178.001 176.117 -0.513 0.000 1.115 198 I CA 1.179 62.200 61.300 -0.465 0.000 1.392 198 I CB -0.165 37.819 38.000 -0.027 0.000 1.065 198 I HN 0.275 nan 8.210 nan 0.000 0.418 199 A N 0.717 123.003 122.820 -0.889 0.000 1.883 199 A HA -0.331 3.988 4.320 -0.001 0.000 0.217 199 A C 2.018 179.319 177.584 -0.472 0.000 1.186 199 A CA 2.450 53.828 52.037 -1.098 0.000 0.624 199 A CB -1.083 17.207 19.000 -1.183 0.000 0.822 199 A HN 0.602 nan 8.150 nan 0.000 0.444 200 N N -0.106 118.365 118.700 -0.383 0.000 2.084 200 N HA -0.102 4.637 4.740 -0.001 0.000 0.190 200 N C 1.578 176.956 175.510 -0.220 0.000 1.030 200 N CA 1.805 54.703 53.050 -0.254 0.000 0.849 200 N CB -0.393 37.955 38.487 -0.232 0.000 1.012 200 N HN 0.457 nan 8.380 nan 0.000 0.423 201 L N -0.291 120.774 121.223 -0.264 0.000 2.042 201 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 201 L C 2.586 179.373 176.870 -0.138 0.000 1.076 201 L CA 1.039 55.754 54.840 -0.209 0.000 0.749 201 L CB -0.420 41.506 42.059 -0.222 0.000 0.893 201 L HN 0.208 nan 8.230 nan 0.000 0.432 202 R N 0.453 120.889 120.500 -0.106 0.000 2.073 202 R HA -0.216 4.123 4.340 -0.001 0.000 0.234 202 R C 2.250 178.540 176.300 -0.017 0.000 1.134 202 R CA 1.739 57.832 56.100 -0.012 0.000 0.952 202 R CB -0.513 29.839 30.300 0.088 0.000 0.850 202 R HN 0.239 nan 8.270 nan 0.000 0.433 203 Q N -0.474 119.299 119.800 -0.045 0.000 2.079 203 Q HA -0.032 4.308 4.340 -0.001 0.000 0.200 203 Q C 1.957 177.928 176.000 -0.050 0.000 0.974 203 Q CA 1.919 57.701 55.803 -0.034 0.000 0.840 203 Q CB -0.170 28.543 28.738 -0.042 0.000 0.898 203 Q HN 0.239 nan 8.270 nan 0.000 0.430 204 V N 0.031 119.897 119.914 -0.080 0.000 2.358 204 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 204 V C 2.065 178.109 176.094 -0.085 0.000 1.047 204 V CA 1.650 63.898 62.300 -0.086 0.000 1.035 204 V CB -0.356 31.399 31.823 -0.113 0.000 0.658 204 V HN 0.363 nan 8.190 nan 0.000 0.452 205 L N -0.971 120.193 121.223 -0.099 0.000 2.354 205 L HA 0.457 4.797 4.340 -0.001 0.000 0.212 205 L C 1.135 177.988 176.870 -0.029 0.000 1.091 205 L CA 0.761 55.540 54.840 -0.101 0.000 0.828 205 L CB -0.214 41.735 42.059 -0.182 0.000 0.973 205 L HN 0.542 nan 8.230 nan 0.000 0.461 206 G N -0.256 108.536 108.800 -0.013 0.000 2.661 206 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.685 206 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.685 206 G C -2.432 172.485 174.900 0.027 0.000 1.298 206 G CA -0.532 44.574 45.100 0.010 0.000 0.855 206 G HN -0.087 nan 8.290 nan 0.000 0.560 207 P HA -0.009 nan 4.420 nan 0.000 0.220 207 P C 1.667 178.985 177.300 0.030 0.000 1.148 207 P CA 1.443 64.563 63.100 0.033 0.000 0.803 207 P CB 0.115 31.829 31.700 0.024 0.000 0.782 208 Q N -0.692 119.125 119.800 0.028 0.000 2.331 208 Q HA 0.184 4.524 4.340 -0.001 0.000 0.203 208 Q C 0.965 176.978 176.000 0.022 0.000 0.944 208 Q CA 0.245 56.059 55.803 0.018 0.000 0.892 208 Q CB -0.724 28.024 28.738 0.017 0.000 0.983 208 Q HN 0.119 nan 8.270 nan 0.000 0.482 209 A N 1.402 124.264 122.820 0.069 0.000 2.498 209 A HA 0.133 4.453 4.320 -0.001 0.000 0.239 209 A C -0.346 177.275 177.584 0.061 0.000 1.068 209 A CA -0.050 52.074 52.037 0.145 0.000 0.766 209 A CB 0.204 19.341 19.000 0.228 0.000 1.003 209 A HN 0.107 nan 8.150 nan 0.000 0.497 210 K N 1.662 122.030 120.400 -0.053 0.000 2.227 210 K HA 0.525 4.844 4.320 -0.001 0.000 0.280 210 K C -1.167 175.489 176.600 0.093 0.000 1.041 210 K CA 0.215 56.356 56.287 -0.242 0.000 0.905 210 K CB 1.082 32.940 32.500 -1.071 0.000 1.068 210 K HN 0.588 nan 8.250 nan 0.000 0.470 211 I N 2.579 123.290 120.570 0.236 0.000 2.439 211 I HA 0.277 4.446 4.170 -0.001 0.000 0.283 211 I C -0.389 175.890 176.117 0.271 0.000 1.023 211 I CA -0.667 60.836 61.300 0.338 0.000 1.100 211 I CB 1.853 40.018 38.000 0.275 0.000 1.238 211 I HN 0.610 nan 8.210 nan 0.000 0.445 212 A N 4.751 127.652 122.820 0.135 0.000 2.295 212 A HA 0.920 5.240 4.320 -0.001 0.000 0.318 212 A C -0.230 177.131 177.584 -0.372 0.000 1.134 212 A CA -0.545 51.223 52.037 -0.448 0.000 0.827 212 A CB 1.242 19.305 19.000 -1.562 0.000 1.136 212 A HN 0.767 nan 8.150 nan 0.000 0.493 213 A N 1.464 123.982 122.820 -0.503 0.000 2.291 213 A HA 0.558 4.877 4.320 -0.001 0.000 0.311 213 A C -0.838 176.453 177.584 -0.488 0.000 1.224 213 A CA -0.442 51.167 52.037 -0.713 0.000 0.821 213 A CB 0.424 19.151 19.000 -0.453 0.000 1.172 213 A HN 0.731 nan 8.150 nan 0.000 0.494 214 D N 3.356 123.466 120.400 -0.483 0.000 2.380 214 D HA 0.331 4.971 4.640 -0.001 0.000 0.230 214 D C 0.760 176.922 176.300 -0.230 0.000 1.154 214 D CA -0.136 53.691 54.000 -0.288 0.000 0.859 214 D CB 0.694 41.396 40.800 -0.162 0.000 1.045 214 D HN 0.515 nan 8.370 nan 0.000 0.495 215 M N 1.802 121.229 119.600 -0.289 0.000 2.595 215 M HA 0.004 4.484 4.480 -0.001 0.000 0.248 215 M C 0.350 176.540 176.300 -0.183 0.000 1.119 215 M CA 0.048 55.219 55.300 -0.215 0.000 1.079 215 M CB -0.010 32.465 32.600 -0.209 0.000 1.472 215 M HN 0.478 nan 8.290 nan 0.000 0.501 216 H N -1.025 117.734 119.070 -0.518 0.000 2.791 216 H HA -0.251 4.305 4.556 -0.001 0.000 0.302 216 H C -0.124 175.120 175.328 -0.139 0.000 1.198 216 H CA 1.258 57.058 56.048 -0.413 0.000 1.145 216 H CB -1.211 28.515 29.762 -0.061 0.000 1.385 216 H HN 0.719 nan 8.280 nan 0.000 0.409 217 W N -2.683 118.443 121.300 -0.290 0.000 0.689 217 W HA -0.289 4.371 4.660 -0.001 0.000 0.218 217 W C 1.166 177.083 176.519 -1.002 0.000 0.922 217 W CA 1.202 58.199 57.345 -0.579 0.000 0.341 217 W CB -1.848 27.255 29.460 -0.595 0.000 1.916 217 W HN 0.372 nan 8.180 nan 0.000 1.294 218 N N 2.842 121.147 118.700 -0.659 0.000 3.245 218 N HA 0.250 4.990 4.740 -0.001 0.000 0.296 218 N C -0.527 174.820 175.510 -0.272 0.000 1.254 218 N CA 0.980 53.597 53.050 -0.722 0.000 1.190 218 N CB -0.128 38.204 38.487 -0.259 0.000 1.460 218 N HN 0.192 nan 8.380 nan 0.000 0.538 219 Q N -0.544 119.090 119.800 -0.276 0.000 2.379 219 Q HA 0.333 4.672 4.340 -0.001 0.000 0.278 219 Q C -0.426 175.564 176.000 -0.016 0.000 1.068 219 Q CA -0.819 54.934 55.803 -0.082 0.000 0.816 219 Q CB 1.550 30.241 28.738 -0.078 0.000 1.387 219 Q HN 0.418 nan 8.270 nan 0.000 0.413 220 T N -1.277 113.311 114.554 0.056 0.000 2.903 220 T HA 0.121 4.470 4.350 -0.001 0.000 0.314 220 T C -1.597 173.127 174.700 0.040 0.000 1.078 220 T CA -0.993 61.151 62.100 0.074 0.000 1.114 220 T CB 0.277 69.188 68.868 0.072 0.000 0.987 220 T HN 0.374 nan 8.240 nan 0.000 0.548 221 P HA -0.142 nan 4.420 nan 0.000 0.216 221 P C 1.094 178.408 177.300 0.024 0.000 1.150 221 P CA 1.311 64.429 63.100 0.031 0.000 0.843 221 P CB 0.118 31.841 31.700 0.039 0.000 0.787 222 E N -0.529 119.688 120.200 0.029 0.000 2.047 222 E HA -0.171 4.179 4.350 -0.001 0.000 0.191 222 E C 2.268 178.882 176.600 0.022 0.000 0.987 222 E CA 1.018 57.433 56.400 0.025 0.000 0.799 222 E CB -0.667 29.050 29.700 0.029 0.000 0.752 222 E HN 0.013 nan 8.360 nan 0.000 0.449 223 R N 0.853 121.368 120.500 0.024 0.000 2.075 223 R HA 0.045 4.385 4.340 -0.001 0.000 0.232 223 R C 1.958 178.264 176.300 0.010 0.000 1.126 223 R CA 1.576 57.688 56.100 0.020 0.000 0.963 223 R CB -0.843 29.471 30.300 0.023 0.000 0.858 223 R HN 0.189 nan 8.270 nan 0.000 0.435 224 A N 0.469 123.288 122.820 -0.000 0.000 1.877 224 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 224 A C 2.279 179.862 177.584 -0.002 0.000 1.186 224 A CA 1.581 53.610 52.037 -0.014 0.000 0.620 224 A CB -0.693 18.289 19.000 -0.030 0.000 0.822 224 A HN 0.350 nan 8.150 nan 0.000 0.443 225 L N -0.803 120.424 121.223 0.006 0.000 2.083 225 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 225 L C 2.594 179.475 176.870 0.018 0.000 1.083 225 L CA 1.648 56.495 54.840 0.012 0.000 0.752 225 L CB -0.521 41.546 42.059 0.014 0.000 0.899 225 L HN 0.481 nan 8.230 nan 0.000 0.433 226 E N 0.043 120.255 120.200 0.020 0.000 2.051 226 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 226 E C 2.332 178.952 176.600 0.034 0.000 0.991 226 E CA 1.104 57.520 56.400 0.026 0.000 0.799 226 E CB -0.113 29.603 29.700 0.026 0.000 0.748 226 E HN 0.435 nan 8.360 nan 0.000 0.449 227 L N 0.579 121.821 121.223 0.031 0.000 2.093 227 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 227 L C 2.388 179.291 176.870 0.055 0.000 1.085 227 L CA 0.802 55.668 54.840 0.043 0.000 0.755 227 L CB -0.278 41.799 42.059 0.030 0.000 0.904 227 L HN 0.169 nan 8.230 nan 0.000 0.435 228 I N -0.130 120.462 120.570 0.037 0.000 2.226 228 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 228 I C 2.772 178.920 176.117 0.052 0.000 1.100 228 I CA 1.119 62.444 61.300 0.041 0.000 1.374 228 I CB -0.424 37.588 38.000 0.021 0.000 1.057 228 I HN 0.194 nan 8.210 nan 0.000 0.413 229 A N 0.369 123.214 122.820 0.042 0.000 1.933 229 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 229 A C 2.191 179.805 177.584 0.050 0.000 1.175 229 A CA 1.549 53.607 52.037 0.036 0.000 0.628 229 A CB -0.516 18.499 19.000 0.026 0.000 0.814 229 A HN 0.445 nan 8.150 nan 0.000 0.444 230 E N -0.814 119.431 120.200 0.075 0.000 2.150 230 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 230 E C 1.909 178.630 176.600 0.202 0.000 0.985 230 E CA 1.222 57.691 56.400 0.116 0.000 0.814 230 E CB -0.190 29.578 29.700 0.113 0.000 0.752 230 E HN 0.668 nan 8.360 nan 0.000 0.466 231 M N 0.174 119.891 119.600 0.195 0.000 2.435 231 M HA -0.067 4.412 4.480 -0.001 0.000 0.265 231 M C 2.305 178.752 176.300 0.246 0.000 1.104 231 M CA 0.462 55.942 55.300 0.300 0.000 1.140 231 M CB 0.118 32.857 32.600 0.231 0.000 1.372 231 M HN 0.010 nan 8.290 nan 0.000 0.456 232 Q N 1.488 121.352 119.800 0.107 0.000 2.096 232 Q HA -0.194 4.146 4.340 -0.001 0.000 0.208 232 Q C -0.882 175.083 176.000 -0.058 0.000 0.993 232 Q CA 2.160 57.983 55.803 0.035 0.000 0.862 232 Q CB -1.462 27.284 28.738 0.013 0.000 0.915 232 Q HN 0.304 nan 8.270 nan 0.000 0.416 233 P HA -0.116 nan 4.420 nan 0.000 0.223 233 P C 0.207 177.150 177.300 -0.594 0.000 1.144 233 P CA 1.077 63.891 63.100 -0.477 0.000 0.783 233 P CB -0.263 30.985 31.700 -0.753 0.000 0.771 234 F N -1.717 118.252 119.950 0.032 0.000 2.641 234 F HA 0.212 4.738 4.527 -0.001 0.000 0.302 234 F C 0.431 176.259 175.800 0.047 0.000 1.098 234 F CA -0.494 57.525 58.000 0.032 0.000 1.318 234 F CB -0.859 38.156 39.000 0.025 0.000 1.035 234 F HN -0.157 nan 8.300 nan 0.000 0.551 235 D N 1.153 121.629 120.400 0.126 0.000 2.848 235 D HA -0.136 4.503 4.640 -0.001 0.000 0.245 235 D C -2.498 173.896 176.300 0.157 0.000 1.122 235 D CA -0.143 53.925 54.000 0.112 0.000 0.769 235 D CB -0.346 40.506 40.800 0.087 0.000 1.025 235 D HN 0.119 nan 8.370 nan 0.000 0.423 236 P HA -0.010 nan 4.420 nan 0.000 0.268 236 P C 0.714 178.129 177.300 0.192 0.000 1.204 236 P CA -0.382 62.818 63.100 0.166 0.000 0.768 236 P CB 0.603 32.377 31.700 0.124 0.000 0.842 237 W N 6.328 127.590 121.300 -0.064 0.000 2.379 237 W HA -0.030 4.629 4.660 -0.001 0.000 0.307 237 W C 0.046 176.590 176.519 0.040 0.000 1.200 237 W CA 1.099 58.410 57.345 -0.057 0.000 1.297 237 W CB -0.539 28.817 29.460 -0.174 0.000 1.140 237 W HN 0.400 nan 8.180 nan 0.000 0.507 238 F N -2.223 117.674 119.950 -0.089 0.000 2.711 238 F HA 0.709 5.236 4.527 -0.001 0.000 0.313 238 F C -0.949 174.743 175.800 -0.179 0.000 1.141 238 F CA -2.038 55.826 58.000 -0.226 0.000 0.941 238 F CB 0.290 39.010 39.000 -0.466 0.000 1.349 238 F HN -0.079 nan 8.300 nan 0.000 0.464 239 A N 1.253 124.143 122.820 0.117 0.000 2.273 239 A HA 0.587 4.906 4.320 -0.001 0.000 0.315 239 A C -0.828 176.778 177.584 0.036 0.000 1.256 239 A CA -0.483 51.559 52.037 0.008 0.000 0.851 239 A CB 0.769 19.755 19.000 -0.023 0.000 1.172 239 A HN 0.862 nan 8.150 nan 0.000 0.508 240 E N 2.484 122.675 120.200 -0.015 0.000 2.191 240 E HA 0.527 4.876 4.350 -0.001 0.000 0.278 240 E C 0.277 176.670 176.600 -0.345 0.000 0.972 240 E CA -0.067 56.254 56.400 -0.132 0.000 0.804 240 E CB 1.113 30.784 29.700 -0.049 0.000 1.110 240 E HN 1.835 nan 8.360 nan 0.000 0.394 241 A N 4.781 127.351 122.820 -0.417 0.000 2.519 241 A HA -0.110 4.209 4.320 -0.001 0.000 0.297 241 A C -1.779 175.532 177.584 -0.456 0.000 1.472 241 A CA 0.500 52.169 52.037 -0.614 0.000 0.739 241 A CB -1.401 16.737 19.000 -1.437 0.000 1.096 241 A HN 0.729 nan 8.150 nan 0.000 0.414 242 P HA 0.034 nan 4.420 nan 0.000 0.221 242 P C 0.788 177.998 177.300 -0.149 0.000 1.150 242 P CA 2.014 65.012 63.100 -0.170 0.000 0.800 242 P CB -0.287 31.356 31.700 -0.095 0.000 0.787 243 V N -6.064 113.793 119.914 -0.097 0.000 3.167 243 V HA 0.540 4.659 4.120 -0.001 0.000 0.310 243 V C -0.838 175.302 176.094 0.077 0.000 1.207 243 V CA -1.985 60.282 62.300 -0.054 0.000 1.059 243 V CB 0.816 32.666 31.823 0.045 0.000 1.079 243 V HN -0.132 nan 8.190 nan 0.000 0.446 244 W N 0.585 122.005 121.300 0.199 0.000 2.170 244 W HA 0.361 5.020 4.660 -0.001 0.000 0.342 244 W C 1.890 178.525 176.519 0.194 0.000 1.294 244 W CA 0.732 58.201 57.345 0.207 0.000 1.246 244 W CB 0.215 29.727 29.460 0.088 0.000 1.156 244 W HN 0.806 nan 8.180 nan 0.000 0.572 245 T N 1.444 116.269 114.554 0.452 0.000 2.699 245 T HA -0.265 4.084 4.350 -0.001 0.000 0.268 245 T C 1.182 176.015 174.700 0.222 0.000 1.036 245 T CA 1.909 64.194 62.100 0.308 0.000 1.147 245 T CB -0.147 68.828 68.868 0.178 0.000 0.862 245 T HN 0.430 nan 8.240 nan 0.000 0.446 246 E N 0.983 121.286 120.200 0.172 0.000 2.274 246 E HA -0.011 4.339 4.350 -0.001 0.000 0.194 246 E C 0.909 177.568 176.600 0.099 0.000 0.996 246 E CA 0.421 56.873 56.400 0.086 0.000 0.840 246 E CB -0.081 29.628 29.700 0.014 0.000 0.772 246 E HN 0.280 nan 8.360 nan 0.000 0.491 247 D N 0.344 120.844 120.400 0.166 0.000 2.688 247 D HA 0.069 4.708 4.640 -0.001 0.000 0.228 247 D C 0.636 177.005 176.300 0.115 0.000 1.116 247 D CA 0.026 54.113 54.000 0.145 0.000 1.023 247 D CB -0.342 40.584 40.800 0.210 0.000 1.100 247 D HN 0.116 nan 8.370 nan 0.000 0.487 248 I N 0.830 121.448 120.570 0.081 0.000 2.286 248 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 248 I C 2.325 178.471 176.117 0.049 0.000 1.115 248 I CA 0.893 62.230 61.300 0.062 0.000 1.392 248 I CB -0.132 37.886 38.000 0.031 0.000 1.065 248 I HN 0.289 nan 8.210 nan 0.000 0.418 249 A N 1.097 123.942 122.820 0.043 0.000 1.902 249 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 249 A C 2.455 180.065 177.584 0.044 0.000 1.181 249 A CA 1.932 53.990 52.037 0.036 0.000 0.623 249 A CB -1.393 17.625 19.000 0.030 0.000 0.818 249 A HN 0.458 nan 8.150 nan 0.000 0.443 250 G N -0.301 108.536 108.800 0.061 0.000 2.418 250 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.217 250 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.217 250 G C 1.484 176.416 174.900 0.053 0.000 1.158 250 G CA 1.179 46.317 45.100 0.064 0.000 0.771 250 G HN 0.458 nan 8.290 nan 0.000 0.545 251 L N 0.795 122.055 121.223 0.063 0.000 2.046 251 L HA 0.002 4.341 4.340 -0.001 0.000 0.208 251 L C 2.655 179.546 176.870 0.034 0.000 1.077 251 L CA 2.556 57.427 54.840 0.051 0.000 0.747 251 L CB -0.594 41.511 42.059 0.076 0.000 0.896 251 L HN 0.490 nan 8.230 nan 0.000 0.432 252 E N -0.440 119.780 120.200 0.033 0.000 2.038 252 E HA -0.322 4.028 4.350 -0.001 0.000 0.195 252 E C 2.308 178.919 176.600 0.019 0.000 1.000 252 E CA 1.706 58.119 56.400 0.022 0.000 0.803 252 E CB -0.240 29.471 29.700 0.018 0.000 0.750 252 E HN 0.484 nan 8.360 nan 0.000 0.448 253 K N 0.154 120.567 120.400 0.022 0.000 2.044 253 K HA -0.177 4.142 4.320 -0.001 0.000 0.210 253 K C 2.133 178.743 176.600 0.017 0.000 1.049 253 K CA 1.767 58.066 56.287 0.020 0.000 0.927 253 K CB -0.132 32.383 32.500 0.024 0.000 0.713 253 K HN 0.094 nan 8.250 nan 0.000 0.443 254 V N 1.363 121.286 119.914 0.017 0.000 2.255 254 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 254 V C 2.452 178.550 176.094 0.007 0.000 1.051 254 V CA 2.309 64.614 62.300 0.009 0.000 1.018 254 V CB -0.703 31.122 31.823 0.002 0.000 0.641 254 V HN 0.584 nan 8.190 nan 0.000 0.445 255 S N -0.304 115.400 115.700 0.007 0.000 2.423 255 S HA -0.163 4.307 4.470 -0.001 0.000 0.231 255 S C 1.778 176.381 174.600 0.006 0.000 1.014 255 S CA 1.204 59.405 58.200 0.003 0.000 0.965 255 S CB -0.376 62.825 63.200 0.002 0.000 0.785 255 S HN 0.630 nan 8.310 nan 0.000 0.495 256 K N 0.755 121.160 120.400 0.008 0.000 2.404 256 K HA 0.254 4.574 4.320 -0.001 0.000 0.194 256 K C 0.332 176.938 176.600 0.010 0.000 1.023 256 K CA 0.332 56.624 56.287 0.009 0.000 1.094 256 K CB 0.019 32.524 32.500 0.009 0.000 0.841 256 K HN 0.435 nan 8.250 nan 0.000 0.523 257 N N -0.373 118.333 118.700 0.010 0.000 2.194 257 N HA 0.005 4.744 4.740 -0.001 0.000 0.231 257 N C -0.919 174.598 175.510 0.011 0.000 1.247 257 N CA -0.048 53.008 53.050 0.011 0.000 0.884 257 N CB 1.624 40.118 38.487 0.012 0.000 1.146 257 N HN -0.115 nan 8.380 nan 0.000 0.516 258 T N -1.379 113.182 114.554 0.011 0.000 2.903 258 T HA 0.191 4.540 4.350 -0.001 0.000 0.299 258 T C -0.699 174.010 174.700 0.015 0.000 1.093 258 T CA -0.609 61.499 62.100 0.013 0.000 1.002 258 T CB 1.318 70.194 68.868 0.014 0.000 1.127 258 T HN -0.128 nan 8.240 nan 0.000 0.488 259 D N 1.616 122.027 120.400 0.018 0.000 2.349 259 D HA 0.110 4.750 4.640 -0.001 0.000 0.215 259 D C 0.754 177.073 176.300 0.031 0.000 1.016 259 D CA 0.416 54.429 54.000 0.022 0.000 0.870 259 D CB 0.333 41.146 40.800 0.021 0.000 0.917 259 D HN 0.310 nan 8.370 nan 0.000 0.524 260 V N 3.312 123.246 119.914 0.034 0.000 2.540 260 V HA 0.026 4.145 4.120 -0.001 0.000 0.297 260 V C -1.978 174.141 176.094 0.042 0.000 1.024 260 V CA -0.995 61.333 62.300 0.048 0.000 1.105 260 V CB 0.400 32.251 31.823 0.047 0.000 0.938 260 V HN -0.068 nan 8.190 nan 0.000 0.482 261 P HA 0.109 nan 4.420 nan 0.000 0.264 261 P C -0.538 176.768 177.300 0.010 0.000 1.193 261 P CA 0.068 63.187 63.100 0.032 0.000 0.763 261 P CB 0.237 31.971 31.700 0.057 0.000 0.810 262 I N 2.633 123.178 120.570 -0.041 0.000 2.353 262 I HA 0.485 4.654 4.170 -0.001 0.000 0.293 262 I C 0.534 176.540 176.117 -0.184 0.000 0.992 262 I CA -0.984 60.269 61.300 -0.078 0.000 1.268 262 I CB 0.668 38.634 38.000 -0.056 0.000 1.387 262 I HN 0.296 nan 8.210 nan 0.000 0.478 263 A N 7.132 129.788 122.820 -0.274 0.000 2.331 263 A HA 0.856 5.176 4.320 -0.001 0.000 0.320 263 A C -0.440 176.908 177.584 -0.393 0.000 1.138 263 A CA -0.426 51.322 52.037 -0.482 0.000 0.790 263 A CB 1.571 19.970 19.000 -1.003 0.000 1.206 263 A HN 0.612 nan 8.150 nan 0.000 0.470 264 V N -0.906 118.748 119.914 -0.432 0.000 3.206 264 V HA 0.979 5.099 4.120 -0.001 0.000 0.305 264 V C 0.453 176.031 176.094 -0.860 0.000 1.257 264 V CA -0.180 61.822 62.300 -0.497 0.000 1.057 264 V CB 1.108 32.755 31.823 -0.294 0.000 1.075 264 V HN 2.369 nan 8.190 nan 0.000 0.443 265 G N 0.448 108.596 108.800 -1.087 0.000 2.273 265 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.162 265 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.162 265 G C 0.580 174.917 174.900 -0.938 0.000 1.006 265 G CA 0.661 44.626 45.100 -1.891 0.000 0.704 265 G HN 1.376 nan 8.290 nan 0.000 0.487 266 E N 0.992 120.866 120.200 -0.544 0.000 2.204 266 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 266 E C 1.681 178.128 176.600 -0.256 0.000 0.990 266 E CA 1.406 57.578 56.400 -0.379 0.000 0.821 266 E CB -0.216 29.155 29.700 -0.549 0.000 0.750 266 E HN 0.558 nan 8.360 nan 0.000 0.477 267 E N 0.068 120.116 120.200 -0.253 0.000 2.476 267 E HA -0.002 4.348 4.350 -0.001 0.000 0.196 267 E C -0.153 176.388 176.600 -0.098 0.000 1.029 267 E CA -0.427 55.831 56.400 -0.237 0.000 0.896 267 E CB -0.152 29.429 29.700 -0.198 0.000 1.012 267 E HN 0.201 nan 8.360 nan 0.000 0.475 268 W N 1.399 122.610 121.300 -0.149 0.000 1.924 268 W HA 0.265 4.924 4.660 -0.001 0.000 0.363 268 W C 1.618 178.065 176.519 -0.120 0.000 1.435 268 W CA -0.547 56.728 57.345 -0.117 0.000 1.497 268 W CB 0.214 29.628 29.460 -0.077 0.000 1.263 268 W HN -0.000 nan 8.180 nan 0.000 0.667 269 R N -0.932 119.679 120.500 0.186 0.000 2.444 269 R HA 0.099 4.439 4.340 -0.001 0.000 0.201 269 R C 0.490 176.867 176.300 0.129 0.000 0.861 269 R CA 0.864 57.042 56.100 0.131 0.000 1.034 269 R CB -0.020 30.348 30.300 0.114 0.000 1.347 269 R HN 0.573 nan 8.270 nan 0.000 0.659 270 T N -1.947 112.653 114.554 0.077 0.000 2.812 270 T HA 0.227 4.577 4.350 -0.001 0.000 0.294 270 T C 0.910 175.532 174.700 -0.130 0.000 1.159 270 T CA -0.404 61.682 62.100 -0.023 0.000 1.008 270 T CB 1.632 70.457 68.868 -0.072 0.000 1.289 270 T HN 0.336 nan 8.240 nan 0.000 0.514 271 H N -1.233 117.737 119.070 -0.166 0.000 2.489 271 H HA 0.038 4.593 4.556 -0.001 0.000 0.295 271 H C 1.447 176.591 175.328 -0.306 0.000 1.082 271 H CA 1.271 57.158 56.048 -0.268 0.000 1.295 271 H CB -0.630 28.918 29.762 -0.356 0.000 1.380 271 H HN 0.655 nan 8.280 nan 0.000 0.548 272 W N 1.803 122.686 121.300 -0.695 0.000 2.342 272 W HA -0.147 4.512 4.660 -0.001 0.000 0.297 272 W C 1.760 178.053 176.519 -0.377 0.000 1.213 272 W CA 0.878 57.970 57.345 -0.421 0.000 1.251 272 W CB 0.036 29.282 29.460 -0.356 0.000 1.136 272 W HN 0.256 nan 8.180 nan 0.000 0.526 273 D N -0.248 120.005 120.400 -0.246 0.000 2.117 273 D HA -0.206 4.434 4.640 -0.001 0.000 0.198 273 D C 1.999 177.656 176.300 -1.072 0.000 0.982 273 D CA 1.558 55.201 54.000 -0.595 0.000 0.828 273 D CB -0.735 39.675 40.800 -0.649 0.000 0.967 273 D HN 0.209 nan 8.370 nan 0.000 0.464 274 M N 0.671 119.652 119.600 -1.031 0.000 2.065 274 M HA -0.181 4.298 4.480 -0.001 0.000 0.259 274 M C 2.228 178.245 176.300 -0.472 0.000 1.069 274 M CA 1.508 56.241 55.300 -0.945 0.000 1.110 274 M CB 0.112 32.494 32.600 -0.363 0.000 1.328 274 M HN -0.165 nan 8.290 nan 0.000 0.405 275 R N -0.015 120.317 120.500 -0.281 0.000 2.103 275 R HA -0.179 4.160 4.340 -0.001 0.000 0.242 275 R C 2.243 178.463 176.300 -0.133 0.000 1.142 275 R CA 1.702 57.715 56.100 -0.145 0.000 0.960 275 R CB -0.792 29.495 30.300 -0.022 0.000 0.858 275 R HN 0.537 nan 8.270 nan 0.000 0.439 276 A N 0.899 123.625 122.820 -0.157 0.000 1.940 276 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 276 A C 2.097 179.606 177.584 -0.125 0.000 1.176 276 A CA 1.516 53.478 52.037 -0.124 0.000 0.631 276 A CB -0.253 18.665 19.000 -0.137 0.000 0.814 276 A HN 0.156 nan 8.150 nan 0.000 0.446 277 R N -0.150 120.240 120.500 -0.184 0.000 2.066 277 R HA 0.093 4.433 4.340 -0.001 0.000 0.224 277 R C 2.095 178.355 176.300 -0.068 0.000 1.122 277 R CA 1.364 57.415 56.100 -0.083 0.000 0.974 277 R CB -0.593 29.711 30.300 0.007 0.000 0.871 277 R HN 0.774 nan 8.270 nan 0.000 0.435 278 I N -1.398 119.100 120.570 -0.121 0.000 2.676 278 I HA -0.016 4.153 4.170 -0.001 0.000 0.259 278 I C 1.201 177.228 176.117 -0.150 0.000 1.194 278 I CA 1.328 62.540 61.300 -0.147 0.000 1.473 278 I CB -0.156 37.696 38.000 -0.247 0.000 1.096 278 I HN 0.036 nan 8.210 nan 0.000 0.443 279 E N 1.270 121.401 120.200 -0.116 0.000 2.204 279 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 279 E C 2.086 178.661 176.600 -0.041 0.000 0.989 279 E CA 1.129 57.487 56.400 -0.069 0.000 0.824 279 E CB 0.114 29.788 29.700 -0.043 0.000 0.756 279 E HN 0.565 nan 8.360 nan 0.000 0.477 280 R N -1.487 118.991 120.500 -0.037 0.000 2.287 280 R HA 0.244 4.583 4.340 -0.001 0.000 0.197 280 R C 0.160 176.454 176.300 -0.011 0.000 0.900 280 R CA 0.026 56.116 56.100 -0.017 0.000 1.052 280 R CB 0.828 31.121 30.300 -0.011 0.000 1.117 280 R HN 0.060 nan 8.270 nan 0.000 0.568 281 C N 0.595 119.886 119.300 -0.014 0.000 2.595 281 C HA 0.491 4.951 4.460 -0.001 0.000 0.338 281 C C 0.075 175.059 174.990 -0.010 0.000 1.219 281 C CA -1.006 58.011 59.018 -0.002 0.000 1.811 281 C CB 1.754 29.504 27.740 0.017 0.000 2.313 281 C HN 0.322 nan 8.230 nan 0.000 0.499 282 R N 1.615 122.113 120.500 -0.004 0.000 2.391 282 R HA 0.408 4.747 4.340 -0.001 0.000 0.310 282 R C -0.951 175.341 176.300 -0.012 0.000 1.174 282 R CA -0.221 55.875 56.100 -0.007 0.000 1.118 282 R CB 0.055 30.354 30.300 -0.001 0.000 1.134 282 R HN 0.490 nan 8.270 nan 0.000 0.524 283 I N 2.289 122.848 120.570 -0.017 0.000 2.315 283 I HA 0.156 4.326 4.170 -0.001 0.000 0.291 283 I C 1.270 177.358 176.117 -0.048 0.000 1.006 283 I CA -0.174 61.109 61.300 -0.027 0.000 1.265 283 I CB 1.087 39.093 38.000 0.010 0.000 1.387 283 I HN 0.563 nan 8.210 nan 0.000 0.475 284 A N 7.210 129.983 122.820 -0.078 0.000 1.935 284 A HA 0.276 4.595 4.320 -0.001 0.000 0.214 284 A C 0.862 178.364 177.584 -0.136 0.000 1.178 284 A CA 0.999 52.986 52.037 -0.085 0.000 0.640 284 A CB 0.172 19.125 19.000 -0.078 0.000 0.825 284 A HN 0.614 nan 8.150 nan 0.000 0.447 285 I N 0.166 120.602 120.570 -0.224 0.000 2.607 285 I HA 0.358 4.528 4.170 -0.001 0.000 0.290 285 I C -0.853 175.066 176.117 -0.330 0.000 1.129 285 I CA -1.027 60.080 61.300 -0.322 0.000 1.042 285 I CB 2.480 40.132 38.000 -0.581 0.000 1.242 285 I HN 0.077 nan 8.210 nan 0.000 0.421 286 V N 2.686 122.431 119.914 -0.281 0.000 2.612 286 V HA 0.594 4.713 4.120 -0.001 0.000 0.301 286 V C -0.408 175.460 176.094 -0.377 0.000 1.046 286 V CA -0.383 61.718 62.300 -0.331 0.000 0.946 286 V CB 1.623 33.348 31.823 -0.164 0.000 1.003 286 V HN 0.845 nan 8.190 nan 0.000 0.459 287 Q N 3.126 122.661 119.800 -0.443 0.000 2.831 287 Q HA 0.366 4.706 4.340 -0.001 0.000 0.366 287 Q C -2.668 173.163 176.000 -0.280 0.000 0.899 287 Q CA -1.680 53.920 55.803 -0.338 0.000 0.987 287 Q CB 1.399 29.942 28.738 -0.325 0.000 1.382 287 Q HN 0.682 nan 8.270 nan 0.000 0.403 288 P HA -0.031 nan 4.420 nan 0.000 0.271 288 P C -0.380 176.949 177.300 0.049 0.000 1.218 288 P CA 0.002 62.967 63.100 -0.225 0.000 0.780 288 P CB 0.991 32.350 31.700 -0.569 0.000 0.901 289 E N 2.623 122.911 120.200 0.146 0.000 2.092 289 E HA 0.228 4.577 4.350 -0.001 0.000 0.271 289 E C 0.870 177.640 176.600 0.283 0.000 0.919 289 E CA -0.648 55.910 56.400 0.264 0.000 0.760 289 E CB 0.650 30.467 29.700 0.196 0.000 1.106 289 E HN 0.201 nan 8.360 nan 0.000 0.408 290 M N 4.257 124.039 119.600 0.303 0.000 2.149 290 M HA 0.032 4.511 4.480 -0.001 0.000 0.261 290 M C 1.547 177.853 176.300 0.009 0.000 1.064 290 M CA 2.532 57.915 55.300 0.139 0.000 1.102 290 M CB -0.676 31.870 32.600 -0.089 0.000 1.369 290 M HN 0.598 nan 8.290 nan 0.000 0.408 291 G N -1.363 107.251 108.800 -0.311 0.000 2.448 291 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 291 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 291 G C 1.370 176.198 174.900 -0.118 0.000 1.127 291 G CA 0.996 45.700 45.100 -0.659 0.000 0.766 291 G HN 0.591 nan 8.290 nan 0.000 0.552 292 H N -0.427 118.660 119.070 0.029 0.000 2.562 292 H HA 0.246 4.801 4.556 -0.001 0.000 0.267 292 H C 2.085 177.445 175.328 0.053 0.000 0.959 292 H CA 0.782 56.817 56.048 -0.022 0.000 1.204 292 H CB 0.579 30.258 29.762 -0.138 0.000 1.430 292 H HN 0.394 nan 8.280 nan 0.000 0.545 293 K N -0.734 119.790 120.400 0.208 0.000 2.380 293 K HA 0.279 4.598 4.320 -0.001 0.000 0.200 293 K C 0.568 177.248 176.600 0.134 0.000 1.201 293 K CA 0.522 56.921 56.287 0.187 0.000 0.916 293 K CB 1.530 34.171 32.500 0.234 0.000 1.187 293 K HN 0.260 nan 8.250 nan 0.000 0.498 294 G N 1.367 110.246 108.800 0.133 0.000 2.781 294 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.683 294 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.683 294 G C 0.417 175.341 174.900 0.041 0.000 1.390 294 G CA -0.354 44.801 45.100 0.093 0.000 0.850 294 G HN 0.100 nan 8.290 nan 0.000 0.557 295 I N 0.509 121.074 120.570 -0.008 0.000 2.179 295 I HA -0.164 4.006 4.170 -0.001 0.000 0.242 295 I C 3.087 179.141 176.117 -0.104 0.000 1.088 295 I CA 2.262 63.461 61.300 -0.168 0.000 1.357 295 I CB -0.528 37.178 38.000 -0.490 0.000 1.051 295 I HN 0.731 nan 8.210 nan 0.000 0.409 296 T N 0.698 115.252 114.554 -0.001 0.000 2.684 296 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 296 T C 1.768 176.395 174.700 -0.122 0.000 1.036 296 T CA 1.599 63.688 62.100 -0.018 0.000 1.148 296 T CB -0.335 68.503 68.868 -0.051 0.000 0.863 296 T HN 0.294 nan 8.240 nan 0.000 0.436 297 N N 0.376 118.951 118.700 -0.207 0.000 2.142 297 N HA -0.006 4.733 4.740 -0.001 0.000 0.186 297 N C 1.605 177.139 175.510 0.040 0.000 1.023 297 N CA 0.847 53.839 53.050 -0.097 0.000 0.852 297 N CB -0.489 37.950 38.487 -0.080 0.000 0.998 297 N HN 0.346 nan 8.380 nan 0.000 0.424 298 F N 2.355 122.256 119.950 -0.083 0.000 2.134 298 F HA -0.088 4.439 4.527 -0.001 0.000 0.299 298 F C 2.299 178.055 175.800 -0.075 0.000 1.097 298 F CA 0.991 58.957 58.000 -0.056 0.000 1.264 298 F CB -0.179 38.785 39.000 -0.059 0.000 1.001 298 F HN -0.010 nan 8.300 nan 0.000 0.479 299 I N -1.348 119.307 120.570 0.142 0.000 2.315 299 I HA -0.190 3.980 4.170 -0.001 0.000 0.248 299 I C 2.258 178.352 176.117 -0.039 0.000 1.117 299 I CA 1.242 62.558 61.300 0.028 0.000 1.404 299 I CB -0.674 37.303 38.000 -0.039 0.000 1.071 299 I HN 0.034 nan 8.210 nan 0.000 0.419 300 R N 1.278 121.746 120.500 -0.053 0.000 2.075 300 R HA 0.009 4.348 4.340 -0.001 0.000 0.232 300 R C 2.423 178.662 176.300 -0.102 0.000 1.126 300 R CA 1.766 57.801 56.100 -0.109 0.000 0.963 300 R CB -0.437 29.774 30.300 -0.147 0.000 0.858 300 R HN 0.411 nan 8.270 nan 0.000 0.435 301 I N 0.131 120.660 120.570 -0.068 0.000 2.208 301 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 301 I C 2.540 178.595 176.117 -0.103 0.000 1.097 301 I CA 1.545 62.804 61.300 -0.069 0.000 1.363 301 I CB -0.644 37.311 38.000 -0.076 0.000 1.051 301 I HN 0.335 nan 8.210 nan 0.000 0.413 302 G N 0.389 109.104 108.800 -0.140 0.000 2.446 302 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 302 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 302 G C 1.844 176.698 174.900 -0.076 0.000 1.168 302 G CA 0.867 45.894 45.100 -0.121 0.000 0.771 302 G HN 0.503 nan 8.290 nan 0.000 0.551 303 A N 0.244 123.020 122.820 -0.072 0.000 1.898 303 A HA 0.099 4.419 4.320 -0.001 0.000 0.216 303 A C 2.348 179.897 177.584 -0.057 0.000 1.181 303 A CA 1.625 53.622 52.037 -0.067 0.000 0.620 303 A CB -0.427 18.525 19.000 -0.080 0.000 0.819 303 A HN 0.414 nan 8.150 nan 0.000 0.442 304 L N -0.214 120.975 121.223 -0.057 0.000 2.083 304 L HA -0.053 4.287 4.340 -0.001 0.000 0.209 304 L C 2.668 179.578 176.870 0.068 0.000 1.083 304 L CA 2.042 56.882 54.840 0.001 0.000 0.752 304 L CB -0.792 41.252 42.059 -0.024 0.000 0.899 304 L HN 0.350 nan 8.230 nan 0.000 0.433 305 A N -0.503 122.325 122.820 0.014 0.000 1.902 305 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 305 A C 2.478 180.073 177.584 0.018 0.000 1.181 305 A CA 1.859 53.907 52.037 0.018 0.000 0.623 305 A CB -1.205 17.773 19.000 -0.036 0.000 0.818 305 A HN 0.553 nan 8.150 nan 0.000 0.443 306 A N -0.088 122.723 122.820 -0.016 0.000 1.917 306 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 306 A C 1.873 179.432 177.584 -0.041 0.000 1.182 306 A CA 1.833 53.853 52.037 -0.028 0.000 0.633 306 A CB -0.655 18.322 19.000 -0.039 0.000 0.819 306 A HN 0.656 nan 8.150 nan 0.000 0.448 307 E N -1.392 118.772 120.200 -0.060 0.000 2.204 307 E HA -0.170 4.180 4.350 -0.001 0.000 0.195 307 E C 1.033 177.460 176.600 -0.289 0.000 0.990 307 E CA 1.109 57.405 56.400 -0.173 0.000 0.821 307 E CB -0.132 29.440 29.700 -0.214 0.000 0.750 307 E HN 0.752 nan 8.360 nan 0.000 0.477 308 H N -1.497 117.551 119.070 -0.036 0.000 2.784 308 H HA 0.186 4.742 4.556 -0.001 0.000 0.273 308 H C 0.862 176.175 175.328 -0.025 0.000 1.112 308 H CA 0.568 56.599 56.048 -0.028 0.000 1.162 308 H CB 1.337 31.082 29.762 -0.028 0.000 1.586 308 H HN 0.242 nan 8.280 nan 0.000 0.548 309 G N 2.079 110.908 108.800 0.050 0.000 2.249 309 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.273 309 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.273 309 G C 0.103 175.016 174.900 0.023 0.000 1.036 309 G CA 0.221 45.335 45.100 0.025 0.000 0.824 309 G HN 0.340 nan 8.290 nan 0.000 0.504 310 I N 0.647 121.230 120.570 0.023 0.000 2.353 310 I HA 0.261 4.430 4.170 -0.001 0.000 0.293 310 I C -0.010 176.082 176.117 -0.041 0.000 0.992 310 I CA -0.952 60.341 61.300 -0.011 0.000 1.268 310 I CB 0.989 38.984 38.000 -0.008 0.000 1.387 310 I HN -0.056 nan 8.210 nan 0.000 0.478 311 D N 5.319 125.682 120.400 -0.063 0.000 2.372 311 D HA 0.198 4.838 4.640 -0.001 0.000 0.243 311 D C -0.398 175.826 176.300 -0.126 0.000 1.121 311 D CA 0.060 54.014 54.000 -0.076 0.000 0.898 311 D CB 1.688 42.448 40.800 -0.067 0.000 1.202 311 D HN 0.034 nan 8.370 nan 0.000 0.428 312 V N 3.388 123.230 119.914 -0.121 0.000 2.384 312 V HA 0.362 4.481 4.120 -0.001 0.000 0.287 312 V C 0.323 176.328 176.094 -0.147 0.000 1.020 312 V CA -0.579 61.621 62.300 -0.167 0.000 0.850 312 V CB 1.078 32.794 31.823 -0.178 0.000 0.987 312 V HN 0.355 nan 8.190 nan 0.000 0.436 313 I N 6.814 127.274 120.570 -0.183 0.000 2.623 313 I HA 0.324 4.493 4.170 -0.001 0.000 0.275 313 I C -2.629 173.424 176.117 -0.106 0.000 1.108 313 I CA -1.707 59.537 61.300 -0.093 0.000 1.120 313 I CB 1.874 39.800 38.000 -0.123 0.000 1.249 313 I HN 0.411 nan 8.210 nan 0.000 0.500 314 P HA -0.024 nan 4.420 nan 0.000 0.269 314 P C -0.286 176.897 177.300 -0.195 0.000 1.215 314 P CA 0.265 63.226 63.100 -0.231 0.000 0.780 314 P CB 0.412 31.927 31.700 -0.308 0.000 0.898 315 H N 1.461 120.453 119.070 -0.131 0.000 2.603 315 H HA 0.549 5.104 4.556 -0.001 0.000 0.370 315 H C -0.828 174.537 175.328 0.061 0.000 1.225 315 H CA -0.314 55.724 56.048 -0.018 0.000 1.410 315 H CB 0.793 30.567 29.762 0.020 0.000 1.495 315 H HN 0.432 nan 8.280 nan 0.000 0.602 316 A N 2.215 124.821 122.820 -0.356 0.000 2.498 316 A HA 0.512 4.832 4.320 -0.001 0.000 0.298 316 A C -0.835 176.593 177.584 -0.261 0.000 1.075 316 A CA -0.426 51.567 52.037 -0.074 0.000 0.714 316 A CB 2.131 21.224 19.000 0.155 0.000 1.299 316 A HN 0.672 nan 8.150 nan 0.000 0.407 317 T N -0.237 114.351 114.554 0.058 0.000 2.894 317 T HA 0.479 4.829 4.350 -0.001 0.000 0.309 317 T C -1.080 173.705 174.700 0.142 0.000 1.208 317 T CA -0.191 61.956 62.100 0.078 0.000 1.016 317 T CB 1.375 70.296 68.868 0.089 0.000 1.192 317 T HN 1.579 nan 8.240 nan 0.000 0.491 318 V N 3.155 123.112 119.914 0.073 0.000 2.673 318 V HA 0.678 4.798 4.120 -0.001 0.000 0.303 318 V C 0.704 176.821 176.094 0.037 0.000 1.046 318 V CA 1.687 64.006 62.300 0.031 0.000 1.126 318 V CB 0.376 32.206 31.823 0.012 0.000 0.934 318 V HN 1.178 nan 8.190 nan 0.000 0.487 319 G N 3.681 112.406 108.800 -0.124 0.000 2.554 319 G HA2 0.558 4.518 3.960 -0.001 0.000 0.306 319 G HA3 0.558 4.518 3.960 -0.001 0.000 0.306 319 G C 0.219 174.908 174.900 -0.352 0.000 1.320 319 G CA -0.029 44.885 45.100 -0.312 0.000 0.800 319 G HN 1.141 nan 8.290 nan 0.000 0.481 320 A N -1.690 120.888 122.820 -0.404 0.000 2.119 320 A HA 0.481 4.801 4.320 -0.001 0.000 0.216 320 A C 1.898 179.251 177.584 -0.385 0.000 1.152 320 A CA 1.864 53.700 52.037 -0.336 0.000 0.708 320 A CB -0.506 18.319 19.000 -0.291 0.000 0.805 320 A HN 2.667 nan 8.150 nan 0.000 0.460 321 G N -1.319 107.189 108.800 -0.487 0.000 2.211 321 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.201 321 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.201 321 G C 0.825 175.517 174.900 -0.347 0.000 0.997 321 G CA 0.261 45.113 45.100 -0.414 0.000 0.652 321 G HN 0.198 nan 8.290 nan 0.000 0.500 322 I N 1.410 121.756 120.570 -0.374 0.000 2.162 322 I HA 0.031 4.200 4.170 -0.001 0.000 0.238 322 I C 2.761 178.816 176.117 -0.104 0.000 1.076 322 I CA 2.142 63.325 61.300 -0.196 0.000 1.353 322 I CB -1.529 36.413 38.000 -0.097 0.000 1.063 322 I HN 0.365 nan 8.210 nan 0.000 0.408 323 F N 0.966 120.912 119.950 -0.007 0.000 2.293 323 F HA -0.098 4.429 4.527 -0.001 0.000 0.300 323 F C 2.216 177.994 175.800 -0.037 0.000 1.086 323 F CA 0.542 58.537 58.000 -0.008 0.000 1.375 323 F CB -1.566 37.447 39.000 0.022 0.000 1.045 323 F HN -0.028 nan 8.300 nan 0.000 0.516 324 L N 1.717 122.970 121.223 0.049 0.000 2.056 324 L HA 0.078 4.417 4.340 -0.001 0.000 0.207 324 L C 2.514 179.370 176.870 -0.024 0.000 1.078 324 L CA 1.793 56.675 54.840 0.070 0.000 0.749 324 L CB -1.396 40.660 42.059 -0.005 0.000 0.901 324 L HN 0.192 nan 8.230 nan 0.000 0.433 325 A N -0.393 122.391 122.820 -0.061 0.000 1.908 325 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 325 A C 2.467 180.023 177.584 -0.046 0.000 1.181 325 A CA 1.967 53.972 52.037 -0.053 0.000 0.627 325 A CB -1.227 17.743 19.000 -0.051 0.000 0.818 325 A HN 0.585 nan 8.150 nan 0.000 0.445 326 A N -0.902 121.900 122.820 -0.030 0.000 1.908 326 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 326 A C 2.486 179.949 177.584 -0.201 0.000 1.181 326 A CA 2.245 54.236 52.037 -0.077 0.000 0.627 326 A CB -1.025 17.964 19.000 -0.018 0.000 0.818 326 A HN 0.553 nan 8.150 nan 0.000 0.445 327 S N -0.557 115.035 115.700 -0.180 0.000 2.368 327 S HA -0.104 4.366 4.470 -0.001 0.000 0.225 327 S C 1.926 176.463 174.600 -0.104 0.000 1.030 327 S CA 1.500 59.528 58.200 -0.288 0.000 0.999 327 S CB -0.472 62.782 63.200 0.089 0.000 0.844 327 S HN 0.494 nan 8.310 nan 0.000 0.459 328 L N 1.032 122.225 121.223 -0.050 0.000 2.056 328 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 328 L C 2.990 179.921 176.870 0.101 0.000 1.078 328 L CA 1.043 55.926 54.840 0.072 0.000 0.749 328 L CB -0.746 41.250 42.059 -0.105 0.000 0.901 328 L HN 0.332 nan 8.230 nan 0.000 0.433 329 Q N 0.216 120.008 119.800 -0.012 0.000 2.045 329 Q HA -0.226 4.114 4.340 -0.001 0.000 0.206 329 Q C 2.406 178.374 176.000 -0.053 0.000 0.991 329 Q CA 2.065 57.852 55.803 -0.027 0.000 0.851 329 Q CB -0.439 28.262 28.738 -0.062 0.000 0.911 329 Q HN 0.552 nan 8.270 nan 0.000 0.418 330 A N 0.595 123.326 122.820 -0.148 0.000 1.898 330 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 330 A C 2.464 180.076 177.584 0.047 0.000 1.181 330 A CA 1.610 53.569 52.037 -0.131 0.000 0.620 330 A CB -0.476 18.346 19.000 -0.296 0.000 0.819 330 A HN 0.316 nan 8.150 nan 0.000 0.442 331 S N 0.606 116.367 115.700 0.100 0.000 2.382 331 S HA -0.175 4.294 4.470 -0.001 0.000 0.228 331 S C 2.284 176.863 174.600 -0.035 0.000 1.027 331 S CA 1.668 59.938 58.200 0.118 0.000 0.991 331 S CB -0.470 62.755 63.200 0.042 0.000 0.823 331 S HN 0.911 nan 8.310 nan 0.000 0.469 332 S N 1.725 117.484 115.700 0.098 0.000 2.440 332 S HA -0.146 4.324 4.470 -0.001 0.000 0.238 332 S C 1.804 176.445 174.600 0.069 0.000 1.010 332 S CA 1.597 59.898 58.200 0.168 0.000 0.972 332 S CB -0.958 62.397 63.200 0.257 0.000 0.774 332 S HN 0.704 nan 8.310 nan 0.000 0.501 333 T N -0.585 113.988 114.554 0.031 0.000 3.081 333 T HA 0.360 4.710 4.350 -0.001 0.000 0.250 333 T C 0.477 175.176 174.700 -0.002 0.000 1.100 333 T CA -0.364 61.742 62.100 0.010 0.000 1.038 333 T CB -0.530 68.331 68.868 -0.012 0.000 0.962 333 T HN 0.378 nan 8.240 nan 0.000 0.516 334 L N 2.925 124.141 121.223 -0.012 0.000 2.265 334 L HA 0.370 4.710 4.340 -0.001 0.000 0.288 334 L C 1.839 178.688 176.870 -0.035 0.000 1.058 334 L CA -0.573 54.250 54.840 -0.028 0.000 0.809 334 L CB 1.322 43.358 42.059 -0.039 0.000 1.179 334 L HN 0.256 nan 8.230 nan 0.000 0.429 335 S N 3.186 118.869 115.700 -0.028 0.000 2.419 335 S HA -0.116 4.353 4.470 -0.001 0.000 0.233 335 S C 1.414 175.998 174.600 -0.027 0.000 1.016 335 S CA 0.773 58.959 58.200 -0.022 0.000 0.974 335 S CB 0.010 63.198 63.200 -0.019 0.000 0.786 335 S HN 0.643 nan 8.310 nan 0.000 0.492 336 M N 0.910 120.486 119.600 -0.039 0.000 2.495 336 M HA 0.422 4.902 4.480 -0.001 0.000 0.237 336 M C 0.227 176.495 176.300 -0.053 0.000 1.131 336 M CA -0.361 54.914 55.300 -0.041 0.000 1.032 336 M CB -1.226 31.345 32.600 -0.048 0.000 1.513 336 M HN 0.343 nan 8.290 nan 0.000 0.488 337 L N 2.773 123.953 121.223 -0.070 0.000 2.584 337 L HA -0.032 4.308 4.340 -0.001 0.000 0.272 337 L C 0.795 177.637 176.870 -0.047 0.000 1.195 337 L CA 0.986 55.766 54.840 -0.101 0.000 0.920 337 L CB 0.225 42.167 42.059 -0.195 0.000 1.173 337 L HN 0.041 nan 8.230 nan 0.000 0.489 338 K N 4.250 124.647 120.400 -0.006 0.000 2.506 338 K HA 0.514 4.833 4.320 -0.001 0.000 0.204 338 K C 0.151 176.850 176.600 0.165 0.000 1.045 338 K CA 0.392 56.725 56.287 0.076 0.000 1.074 338 K CB 0.596 33.158 32.500 0.103 0.000 0.842 338 K HN 0.863 nan 8.250 nan 0.000 0.514 339 G N 0.611 109.505 108.800 0.157 0.000 2.353 339 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.424 339 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.424 339 G C -1.938 173.218 174.900 0.427 0.000 1.320 339 G CA -0.910 44.400 45.100 0.350 0.000 0.995 339 G HN 0.214 nan 8.290 nan 0.000 0.580 340 H N 0.548 119.951 119.070 0.555 0.000 3.087 340 H HA 0.376 4.932 4.556 -0.001 0.000 0.348 340 H C -0.281 175.353 175.328 0.511 0.000 1.092 340 H CA -0.313 56.041 56.048 0.510 0.000 1.285 340 H CB 1.791 31.892 29.762 0.564 0.000 1.875 340 H HN 0.684 nan 8.280 nan 0.000 0.512 341 E N 2.940 123.364 120.200 0.373 0.000 2.442 341 E HA 0.136 4.485 4.350 -0.001 0.000 0.262 341 E C -0.751 176.078 176.600 0.381 0.000 1.004 341 E CA 0.488 56.857 56.400 -0.052 0.000 0.928 341 E CB 0.989 30.592 29.700 -0.162 0.000 0.937 341 E HN 0.255 nan 8.360 nan 0.000 0.446 342 F N 1.489 121.387 119.950 -0.087 0.000 2.591 342 F HA 0.319 4.845 4.527 -0.001 0.000 0.309 342 F C -1.309 174.363 175.800 -0.213 0.000 1.098 342 F CA -0.484 57.496 58.000 -0.033 0.000 0.937 342 F CB 1.692 40.594 39.000 -0.164 0.000 1.250 342 F HN 0.289 nan 8.300 nan 0.000 0.447 343 Q N 3.464 122.605 119.800 -1.100 0.000 2.345 343 Q HA 0.151 4.491 4.340 -0.001 0.000 0.275 343 Q C -0.133 175.038 176.000 -1.381 0.000 1.063 343 Q CA -0.778 54.346 55.803 -1.131 0.000 0.819 343 Q CB 2.248 30.712 28.738 -0.456 0.000 1.356 343 Q HN 0.989 nan 8.270 nan 0.000 0.418 344 H N 1.388 119.810 119.070 -1.081 0.000 2.321 344 H HA -0.199 4.356 4.556 -0.001 0.000 0.295 344 H C 1.882 177.123 175.328 -0.144 0.000 1.102 344 H CA 3.019 58.839 56.048 -0.379 0.000 1.266 344 H CB 0.397 30.263 29.762 0.174 0.000 1.363 344 H HN 0.611 nan 8.280 nan 0.000 0.492 345 S N -0.585 115.024 115.700 -0.152 0.000 2.423 345 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 345 S C 2.250 176.759 174.600 -0.151 0.000 1.014 345 S CA 1.271 59.400 58.200 -0.118 0.000 0.965 345 S CB -0.435 62.752 63.200 -0.022 0.000 0.785 345 S HN 0.514 nan 8.310 nan 0.000 0.495 346 I N -0.325 120.135 120.570 -0.183 0.000 2.333 346 I HA 0.012 4.181 4.170 -0.001 0.000 0.246 346 I C 2.266 178.334 176.117 -0.082 0.000 1.106 346 I CA 1.229 62.460 61.300 -0.115 0.000 1.411 346 I CB -0.247 37.691 38.000 -0.102 0.000 1.082 346 I HN 0.264 nan 8.210 nan 0.000 0.420 347 F N 1.652 121.459 119.950 -0.239 0.000 2.187 347 F HA -0.144 4.383 4.527 -0.001 0.000 0.295 347 F C 2.449 178.184 175.800 -0.108 0.000 1.091 347 F CA 1.389 59.338 58.000 -0.086 0.000 1.308 347 F CB -0.018 39.047 39.000 0.108 0.000 1.030 347 F HN -0.065 nan 8.300 nan 0.000 0.487 348 E N 0.766 120.912 120.200 -0.089 0.000 2.097 348 E HA -0.202 4.148 4.350 -0.001 0.000 0.196 348 E C -0.604 175.905 176.600 -0.153 0.000 1.000 348 E CA 1.872 58.193 56.400 -0.132 0.000 0.804 348 E CB -1.435 28.080 29.700 -0.308 0.000 0.740 348 E HN 0.213 nan 8.360 nan 0.000 0.454 349 P HA -0.166 nan 4.420 nan 0.000 0.217 349 P C 0.501 177.671 177.300 -0.217 0.000 1.148 349 P CA 1.977 64.980 63.100 -0.162 0.000 0.828 349 P CB -0.405 31.203 31.700 -0.153 0.000 0.783 350 N N -0.617 117.884 118.700 -0.332 0.000 2.453 350 N HA -0.133 4.606 4.740 -0.001 0.000 0.183 350 N C 1.495 176.833 175.510 -0.287 0.000 1.041 350 N CA 0.909 53.736 53.050 -0.371 0.000 0.900 350 N CB -0.815 37.364 38.487 -0.514 0.000 0.961 350 N HN 0.090 nan 8.380 nan 0.000 0.443 351 R N 0.008 120.375 120.500 -0.221 0.000 2.096 351 R HA 0.083 4.423 4.340 -0.001 0.000 0.235 351 R C 1.799 178.047 176.300 -0.087 0.000 1.127 351 R CA 1.225 57.265 56.100 -0.101 0.000 0.968 351 R CB -0.141 30.156 30.300 -0.006 0.000 0.861 351 R HN 0.361 nan 8.270 nan 0.000 0.440 352 R N -0.127 120.314 120.500 -0.098 0.000 2.237 352 R HA 0.160 4.500 4.340 -0.001 0.000 0.195 352 R C 1.829 178.059 176.300 -0.117 0.000 0.956 352 R CA 0.292 56.340 56.100 -0.086 0.000 1.029 352 R CB 0.309 30.571 30.300 -0.063 0.000 0.972 352 R HN 0.154 nan 8.270 nan 0.000 0.493 353 L N 0.383 121.513 121.223 -0.156 0.000 2.529 353 L HA 0.234 4.574 4.340 -0.001 0.000 0.223 353 L C 0.311 177.044 176.870 -0.228 0.000 1.113 353 L CA 0.271 54.996 54.840 -0.191 0.000 0.861 353 L CB 0.340 42.276 42.059 -0.205 0.000 1.012 353 L HN 0.007 nan 8.230 nan 0.000 0.461 354 L N -0.556 120.542 121.223 -0.208 0.000 2.381 354 L HA 0.432 4.772 4.340 -0.001 0.000 0.268 354 L C -1.100 175.680 176.870 -0.151 0.000 0.997 354 L CA -0.834 53.880 54.840 -0.210 0.000 0.818 354 L CB 2.337 44.268 42.059 -0.213 0.000 1.310 354 L HN -0.136 nan 8.230 nan 0.000 0.416 355 D N 1.495 121.812 120.400 -0.139 0.000 2.175 355 D HA 0.702 5.342 4.640 -0.001 0.000 0.248 355 D C 0.231 176.488 176.300 -0.073 0.000 1.047 355 D CA 0.312 54.257 54.000 -0.090 0.000 0.883 355 D CB 2.079 42.833 40.800 -0.077 0.000 1.180 355 D HN 0.766 nan 8.370 nan 0.000 0.438 356 G N 1.313 110.085 108.800 -0.046 0.000 2.340 356 G HA2 0.103 4.063 3.960 -0.001 0.000 0.527 356 G HA3 0.103 4.063 3.960 -0.001 0.000 0.527 356 G C -1.305 173.589 174.900 -0.010 0.000 1.381 356 G CA -0.747 44.337 45.100 -0.026 0.000 1.001 356 G HN 0.457 nan 8.290 nan 0.000 0.626 357 D N -0.463 119.941 120.400 0.007 0.000 2.894 357 D HA 0.322 4.961 4.640 -0.001 0.000 0.273 357 D C 0.833 177.165 176.300 0.053 0.000 1.328 357 D CA -0.476 53.538 54.000 0.023 0.000 0.845 357 D CB 0.227 41.033 40.800 0.011 0.000 1.072 357 D HN 0.668 nan 8.370 nan 0.000 0.484 358 M N 0.735 120.378 119.600 0.071 0.000 2.217 358 M HA 0.297 4.777 4.480 -0.001 0.000 0.354 358 M C -1.093 175.377 176.300 0.283 0.000 1.225 358 M CA 0.183 55.569 55.300 0.144 0.000 1.137 358 M CB 0.837 33.508 32.600 0.118 0.000 1.576 358 M HN -0.068 nan 8.290 nan 0.000 0.461 359 D N 3.062 123.641 120.400 0.299 0.000 2.596 359 D HA 0.471 5.110 4.640 -0.001 0.000 0.234 359 D C -2.135 174.149 176.300 -0.027 0.000 1.181 359 D CA -0.362 53.781 54.000 0.237 0.000 0.856 359 D CB 2.373 43.217 40.800 0.075 0.000 1.498 359 D HN 0.786 nan 8.370 nan 0.000 0.446 360 C N 3.048 122.064 119.300 -0.474 0.000 2.381 360 C HA 0.837 5.297 4.460 -0.001 0.000 0.328 360 C C -1.155 173.538 174.990 -0.496 0.000 1.190 360 C CA -0.398 58.174 59.018 -0.743 0.000 1.369 360 C CB -0.616 26.242 27.740 -1.470 0.000 2.029 360 C HN 0.645 nan 8.230 nan 0.000 0.448 361 R N 3.722 124.023 120.500 -0.332 0.000 2.698 361 R HA 0.575 4.915 4.340 -0.001 0.000 0.275 361 R C -0.275 175.867 176.300 -0.265 0.000 1.001 361 R CA -0.444 55.520 56.100 -0.226 0.000 0.896 361 R CB 0.753 30.968 30.300 -0.143 0.000 1.218 361 R HN 0.679 nan 8.270 nan 0.000 0.462 362 E N 0.672 120.734 120.200 -0.230 0.000 2.328 362 E HA -0.285 4.065 4.350 -0.001 0.000 0.233 362 E C 0.407 176.692 176.600 -0.525 0.000 1.219 362 E CA 0.999 57.241 56.400 -0.264 0.000 0.717 362 E CB -1.366 28.238 29.700 -0.159 0.000 1.210 362 E HN 1.160 nan 8.360 nan 0.000 0.381 363 G N 0.038 108.221 108.800 -1.028 0.000 2.143 363 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.248 363 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.248 363 G C 0.092 174.422 174.900 -0.950 0.000 0.991 363 G CA 0.626 44.709 45.100 -1.694 0.000 0.689 363 G HN 0.306 nan 8.290 nan 0.000 0.522 364 R N -1.190 118.885 120.500 -0.709 0.000 2.686 364 R HA 0.516 4.856 4.340 -0.001 0.000 0.283 364 R C -0.990 174.933 176.300 -0.629 0.000 0.978 364 R CA -0.925 54.844 56.100 -0.551 0.000 0.897 364 R CB 1.305 31.328 30.300 -0.461 0.000 1.192 364 R HN 0.101 nan 8.270 nan 0.000 0.457 365 Y N 2.156 122.104 120.300 -0.586 0.000 2.359 365 Y HA 0.156 4.706 4.550 -0.001 0.000 0.330 365 Y C 0.597 176.032 175.900 -0.776 0.000 1.143 365 Y CA 0.458 58.181 58.100 -0.629 0.000 1.318 365 Y CB 0.734 38.729 38.460 -0.775 0.000 1.234 365 Y HN 0.268 nan 8.280 nan 0.000 0.522 366 H N 4.222 123.187 119.070 -0.176 0.000 2.547 366 H HA 0.279 4.835 4.556 -0.001 0.000 0.342 366 H C -0.900 174.367 175.328 -0.102 0.000 1.048 366 H CA -0.954 54.998 56.048 -0.162 0.000 1.204 366 H CB 1.874 31.566 29.762 -0.116 0.000 1.493 366 H HN 0.456 nan 8.280 nan 0.000 0.511 367 L N 5.468 126.671 121.223 -0.033 0.000 2.439 367 L HA 0.156 4.496 4.340 -0.001 0.000 0.269 367 L C -1.698 175.188 176.870 0.027 0.000 1.179 367 L CA -1.178 53.649 54.840 -0.021 0.000 0.828 367 L CB 0.222 42.265 42.059 -0.027 0.000 1.106 367 L HN 0.475 nan 8.230 nan 0.000 0.467 368 P HA 0.132 nan 4.420 nan 0.000 0.274 368 P C -0.984 176.330 177.300 0.023 0.000 1.237 368 P CA -0.564 62.551 63.100 0.026 0.000 0.793 368 P CB 0.832 32.542 31.700 0.018 0.000 0.977 369 S N -0.268 115.444 115.700 0.020 0.000 2.601 369 S HA 0.680 5.149 4.470 -0.001 0.000 0.271 369 S C 0.487 175.100 174.600 0.022 0.000 1.305 369 S CA 0.243 58.455 58.200 0.020 0.000 1.022 369 S CB 0.215 63.424 63.200 0.016 0.000 0.940 369 S HN 1.031 nan 8.310 nan 0.000 0.525 370 G N 1.132 109.948 108.800 0.026 0.000 2.555 370 G HA2 0.114 4.073 3.960 -0.001 0.000 0.686 370 G HA3 0.114 4.073 3.960 -0.001 0.000 0.686 370 G C -3.520 171.404 174.900 0.039 0.000 1.275 370 G CA -0.934 44.184 45.100 0.030 0.000 0.871 370 G HN 0.742 nan 8.290 nan 0.000 0.603 371 P HA 0.509 nan 4.420 nan 0.000 0.272 371 P C 1.234 178.576 177.300 0.069 0.000 1.240 371 P CA 1.592 64.726 63.100 0.057 0.000 0.791 371 P CB 0.786 32.520 31.700 0.056 0.000 0.978 372 G N 0.259 109.112 108.800 0.088 0.000 2.550 372 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.277 372 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.277 372 G C 0.830 175.786 174.900 0.093 0.000 1.190 372 G CA 0.257 45.424 45.100 0.111 0.000 0.971 372 G HN 0.480 nan 8.290 nan 0.000 0.559 373 L N 1.864 123.143 121.223 0.094 0.000 2.201 373 L HA 0.262 4.602 4.340 -0.001 0.000 0.212 373 L C 2.656 179.548 176.870 0.037 0.000 1.105 373 L CA 1.555 56.432 54.840 0.063 0.000 0.775 373 L CB -0.615 41.485 42.059 0.068 0.000 0.913 373 L HN 2.136 nan 8.230 nan 0.000 0.440 374 G N 0.189 109.014 108.800 0.043 0.000 2.148 374 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.254 374 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.254 374 G C 0.175 175.081 174.900 0.009 0.000 0.981 374 G CA 0.304 45.420 45.100 0.027 0.000 0.670 374 G HN 0.397 nan 8.290 nan 0.000 0.528 375 V N -3.290 116.625 119.914 0.002 0.000 3.159 375 V HA 1.035 5.155 4.120 -0.001 0.000 0.308 375 V C -0.461 175.606 176.094 -0.046 0.000 1.190 375 V CA -0.549 61.728 62.300 -0.037 0.000 1.037 375 V CB 1.974 33.754 31.823 -0.072 0.000 1.060 375 V HN 1.299 nan 8.190 nan 0.000 0.437 376 R N 0.517 120.949 120.500 -0.114 0.000 2.716 376 R HA 0.691 5.030 4.340 -0.001 0.000 0.271 376 R C -3.353 172.733 176.300 -0.357 0.000 1.028 376 R CA -1.830 54.141 56.100 -0.214 0.000 0.883 376 R CB 1.414 31.667 30.300 -0.078 0.000 1.250 376 R HN 0.478 nan 8.270 nan 0.000 0.465 377 P HA -0.036 nan 4.420 nan 0.000 0.265 377 P C -0.191 176.900 177.300 -0.348 0.000 1.193 377 P CA 0.177 62.925 63.100 -0.587 0.000 0.765 377 P CB 0.832 31.950 31.700 -0.969 0.000 0.823 378 S N 2.324 117.866 115.700 -0.263 0.000 2.617 378 S HA 0.093 4.562 4.470 -0.001 0.000 0.259 378 S C 1.260 175.767 174.600 -0.155 0.000 1.301 378 S CA -0.290 57.806 58.200 -0.173 0.000 0.984 378 S CB 0.393 63.506 63.200 -0.145 0.000 0.954 378 S HN 0.350 nan 8.310 nan 0.000 0.572 379 E N 0.992 121.130 120.200 -0.104 0.000 2.130 379 E HA -0.153 4.196 4.350 -0.001 0.000 0.196 379 E C 2.362 178.909 176.600 -0.088 0.000 0.998 379 E CA 1.630 57.981 56.400 -0.082 0.000 0.806 379 E CB -1.173 28.495 29.700 -0.053 0.000 0.738 379 E HN 0.777 nan 8.360 nan 0.000 0.459 380 A N 1.388 124.154 122.820 -0.091 0.000 1.883 380 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 380 A C 2.441 179.959 177.584 -0.110 0.000 1.186 380 A CA 2.423 54.409 52.037 -0.086 0.000 0.624 380 A CB -0.693 18.259 19.000 -0.080 0.000 0.822 380 A HN 0.290 nan 8.150 nan 0.000 0.444 381 A N -0.380 122.346 122.820 -0.156 0.000 1.898 381 A HA -0.004 4.316 4.320 -0.001 0.000 0.216 381 A C 2.139 179.595 177.584 -0.213 0.000 1.181 381 A CA 1.447 53.364 52.037 -0.201 0.000 0.620 381 A CB -0.629 18.198 19.000 -0.288 0.000 0.819 381 A HN 0.476 nan 8.150 nan 0.000 0.442 382 L N -0.612 120.486 121.223 -0.208 0.000 2.191 382 L HA -0.116 4.224 4.340 -0.001 0.000 0.212 382 L C 2.720 179.518 176.870 -0.119 0.000 1.103 382 L CA 0.892 55.624 54.840 -0.178 0.000 0.769 382 L CB -0.679 41.307 42.059 -0.121 0.000 0.908 382 L HN 0.494 nan 8.230 nan 0.000 0.438 383 G N -0.013 108.733 108.800 -0.090 0.000 2.408 383 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.217 383 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.217 383 G C 1.601 176.471 174.900 -0.050 0.000 1.150 383 G CA 0.378 45.445 45.100 -0.056 0.000 0.776 383 G HN 0.246 nan 8.290 nan 0.000 0.542 384 L N 1.068 122.251 121.223 -0.068 0.000 2.307 384 L HA 0.283 4.623 4.340 -0.001 0.000 0.211 384 L C 1.382 178.232 176.870 -0.034 0.000 1.099 384 L CA -0.308 54.504 54.840 -0.047 0.000 0.816 384 L CB -0.305 41.723 42.059 -0.051 0.000 0.952 384 L HN 0.294 nan 8.230 nan 0.000 0.455 385 I N -1.003 119.522 120.570 -0.076 0.000 2.815 385 I HA 0.011 4.180 4.170 -0.001 0.000 0.291 385 I C -0.297 175.882 176.117 0.103 0.000 1.209 385 I CA 0.392 61.668 61.300 -0.039 0.000 1.431 385 I CB 0.270 38.089 38.000 -0.300 0.000 1.351 385 I HN 0.094 nan 8.210 nan 0.000 0.585 386 E N 5.672 126.013 120.200 0.235 0.000 2.248 386 E HA 0.442 4.791 4.350 -0.001 0.000 0.267 386 E C -0.973 175.835 176.600 0.347 0.000 0.877 386 E CA -1.023 55.525 56.400 0.246 0.000 0.759 386 E CB 2.082 31.852 29.700 0.116 0.000 1.182 386 E HN 0.585 nan 8.360 nan 0.000 0.418 387 R N 1.810 122.466 120.500 0.260 0.000 2.679 387 R HA 0.357 4.696 4.340 -0.001 0.000 0.268 387 R C 0.067 176.357 176.300 -0.018 0.000 1.044 387 R CA 0.413 56.513 56.100 0.000 0.000 1.105 387 R CB 0.547 30.815 30.300 -0.054 0.000 0.989 387 R HN 0.504 nan 8.270 nan 0.000 0.447 388 I N 0.000 120.513 120.570 -0.095 0.000 2.984 388 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 388 I CA 0.000 61.274 61.300 -0.044 0.000 1.566 388 I CB 0.000 38.005 38.000 0.009 0.000 1.214 388 I HN 0.000 nan 8.210 nan 0.000 0.494