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 3nya_1_A DATA FIRST_RESID 32 DATA SEQUENCE WVVGMGIVMS LIVLAIVFGN VLVITAIAKF ERLQTVTNYF ITSLACADLV DATA SEQUENCE MGLAVVPFGA AHILMKMWTF GNFWcEFWTS IDVLCVTASI WTLCVIAVDR DATA SEQUENCE YFAITSPFKY QSLLTKNKAR VIILMVWIVS GLTSFLPIQM HWYRATHQEA DATA SEQUENCE INcYAEETcc DFFTNQAYAI ASSIVSFYVP LVIMVFVYSR VFQEAKRQLX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XKFCLKEHKA LKTLGIIMGT DATA SEQUENCE FTLCWLPFFI VNIVHVIQDN LIRKEVYILL NWIGYVNSGF NPLIYCRSPD DATA SEQUENCE FRIAFQELLC LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX NIFEMLRIDE GLRLKIYKDT EGYYTIGIGH DATA SEQUENCE LLTKSPSLNA AKSELDKAIG RNTNGVITKD EAEKLFNQDV DAAVRGILRN DATA SEQUENCE AKLKPVYDSL DAVRRAALIN MVFQMGETGV AGFTNSLRML QQKRWDEAAV DATA SEQUENCE NLAKSRWYNQ TPNRAKRVIT TFRTGTWDAY 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 32 W HA 0.000 nan 4.660 nan 0.000 0.303 32 W C 0.000 176.496 176.519 -0.039 0.000 1.175 32 W CA 0.000 57.326 57.345 -0.031 0.000 1.226 32 W CB 0.000 29.442 29.460 -0.029 0.000 1.126 33 V N 1.237 121.280 119.914 0.214 0.000 2.515 33 V HA -0.259 3.878 4.120 0.029 0.000 0.250 33 V C 1.715 177.755 176.094 -0.090 0.000 1.058 33 V CA 2.133 64.470 62.300 0.063 0.000 1.064 33 V CB -0.824 31.062 31.823 0.104 0.000 0.675 33 V HN 0.138 nan 8.190 nan 0.000 0.461 34 V N 0.742 120.613 119.914 -0.071 0.000 2.379 34 V HA -0.103 4.034 4.120 0.029 0.000 0.245 34 V C 2.661 178.665 176.094 -0.150 0.000 1.044 34 V CA 1.963 64.210 62.300 -0.089 0.000 1.036 34 V CB -1.477 30.316 31.823 -0.051 0.000 0.664 34 V HN 0.568 nan 8.190 nan 0.000 0.453 35 G N -0.421 108.252 108.800 -0.212 0.000 2.446 35 G HA2 -0.364 3.613 3.960 0.029 0.000 0.217 35 G HA3 -0.364 3.613 3.960 0.029 0.000 0.217 35 G C 1.671 176.389 174.900 -0.302 0.000 1.168 35 G CA 1.308 46.254 45.100 -0.256 0.000 0.771 35 G HN 0.440 nan 8.290 nan 0.000 0.551 36 M N 0.935 120.277 119.600 -0.430 0.000 2.106 36 M HA -0.041 4.456 4.480 0.029 0.000 0.259 36 M C 2.553 178.704 176.300 -0.249 0.000 1.068 36 M CA 2.120 57.179 55.300 -0.402 0.000 1.100 36 M CB -0.366 31.942 32.600 -0.487 0.000 1.351 36 M HN 0.222 nan 8.290 nan 0.000 0.404 37 G N 0.036 108.723 108.800 -0.188 0.000 2.448 37 G HA2 -0.139 3.838 3.960 0.029 0.000 0.219 37 G HA3 -0.139 3.838 3.960 0.029 0.000 0.219 37 G C 1.297 176.139 174.900 -0.096 0.000 1.127 37 G CA 0.935 45.964 45.100 -0.119 0.000 0.766 37 G HN 0.542 nan 8.290 nan 0.000 0.552 38 I N 0.089 120.593 120.570 -0.110 0.000 2.235 38 I HA -0.082 4.106 4.170 0.029 0.000 0.241 38 I C 2.721 178.787 176.117 -0.085 0.000 1.085 38 I CA 0.241 61.488 61.300 -0.088 0.000 1.378 38 I CB -0.435 37.511 38.000 -0.090 0.000 1.076 38 I HN -0.021 nan 8.210 nan 0.000 0.415 39 V N 0.871 120.718 119.914 -0.113 0.000 2.250 39 V HA -0.373 3.765 4.120 0.029 0.000 0.250 39 V C 2.549 178.606 176.094 -0.061 0.000 1.060 39 V CA 2.327 64.568 62.300 -0.099 0.000 1.030 39 V CB -0.538 31.199 31.823 -0.144 0.000 0.643 39 V HN 0.391 nan 8.190 nan 0.000 0.445 40 M N -0.648 118.909 119.600 -0.072 0.000 2.117 40 M HA -0.169 4.328 4.480 0.029 0.000 0.262 40 M C 2.400 178.721 176.300 0.035 0.000 1.065 40 M CA 2.034 57.336 55.300 0.005 0.000 1.114 40 M CB -0.456 32.128 32.600 -0.026 0.000 1.361 40 M HN 0.316 nan 8.290 nan 0.000 0.408 41 S N 0.807 116.503 115.700 -0.007 0.000 2.382 41 S HA -0.074 4.413 4.470 0.029 0.000 0.228 41 S C 1.831 176.424 174.600 -0.011 0.000 1.027 41 S CA 1.079 59.274 58.200 -0.008 0.000 0.991 41 S CB -0.424 62.759 63.200 -0.027 0.000 0.823 41 S HN 0.365 nan 8.310 nan 0.000 0.469 42 L N 0.934 122.143 121.223 -0.024 0.000 2.042 42 L HA -0.162 4.196 4.340 0.029 0.000 0.210 42 L C 2.178 179.037 176.870 -0.018 0.000 1.076 42 L CA 1.224 56.044 54.840 -0.032 0.000 0.749 42 L CB -0.623 41.411 42.059 -0.042 0.000 0.893 42 L HN 0.299 nan 8.230 nan 0.000 0.432 43 I N -1.090 119.483 120.570 0.005 0.000 2.099 43 I HA -0.295 3.892 4.170 0.029 0.000 0.239 43 I C 2.474 178.597 176.117 0.010 0.000 1.066 43 I CA 1.287 62.596 61.300 0.014 0.000 1.324 43 I CB -0.436 37.608 38.000 0.074 0.000 1.037 43 I HN -0.033 nan 8.210 nan 0.000 0.401 44 V N 1.148 121.079 119.914 0.028 0.000 2.313 44 V HA -0.331 3.806 4.120 0.029 0.000 0.253 44 V C 2.370 178.479 176.094 0.026 0.000 1.070 44 V CA 2.021 64.334 62.300 0.021 0.000 1.057 44 V CB -0.653 31.185 31.823 0.025 0.000 0.653 44 V HN 0.390 nan 8.190 nan 0.000 0.450 45 L N -0.428 120.807 121.223 0.019 0.000 2.109 45 L HA -0.078 4.279 4.340 0.029 0.000 0.207 45 L C 2.672 179.578 176.870 0.060 0.000 1.086 45 L CA 1.290 56.150 54.840 0.033 0.000 0.760 45 L CB -0.722 41.335 42.059 -0.004 0.000 0.910 45 L HN 0.368 nan 8.230 nan 0.000 0.437 46 A N 0.305 123.138 122.820 0.021 0.000 1.930 46 A HA -0.132 4.205 4.320 0.029 0.000 0.217 46 A C 2.184 179.815 177.584 0.080 0.000 1.175 46 A CA 1.256 53.316 52.037 0.037 0.000 0.627 46 A CB -0.477 18.516 19.000 -0.011 0.000 0.815 46 A HN 0.338 nan 8.150 nan 0.000 0.443 47 I N -0.708 119.886 120.570 0.041 0.000 2.193 47 I HA -0.174 4.013 4.170 0.029 0.000 0.240 47 I C 2.349 178.509 176.117 0.071 0.000 1.084 47 I CA 1.043 62.366 61.300 0.037 0.000 1.365 47 I CB -0.431 37.572 38.000 0.006 0.000 1.064 47 I HN 0.137 nan 8.210 nan 0.000 0.410 48 V N 0.916 120.878 119.914 0.079 0.000 2.261 48 V HA -0.311 3.826 4.120 0.029 0.000 0.246 48 V C 2.294 178.446 176.094 0.096 0.000 1.047 48 V CA 2.043 64.391 62.300 0.079 0.000 1.015 48 V CB -0.769 31.099 31.823 0.074 0.000 0.642 48 V HN 0.352 nan 8.190 nan 0.000 0.446 49 F N 1.883 121.824 119.950 -0.015 0.000 2.025 49 F HA -0.173 4.372 4.527 0.029 0.000 0.297 49 F C 2.278 178.050 175.800 -0.046 0.000 1.132 49 F CA 2.204 60.187 58.000 -0.029 0.000 1.191 49 F CB -1.063 37.917 39.000 -0.034 0.000 0.963 49 F HN 0.147 nan 8.300 nan 0.000 0.481 50 G N 0.317 109.241 108.800 0.206 0.000 2.529 50 G HA2 -0.361 3.616 3.960 0.029 0.000 0.219 50 G HA3 -0.361 3.616 3.960 0.029 0.000 0.219 50 G C 1.581 176.459 174.900 -0.036 0.000 1.177 50 G CA 1.239 46.370 45.100 0.053 0.000 0.773 50 G HN 0.451 nan 8.290 nan 0.000 0.573 51 N N 0.110 118.825 118.700 0.025 0.000 2.216 51 N HA -0.063 4.694 4.740 0.029 0.000 0.183 51 N C 2.407 177.928 175.510 0.019 0.000 1.017 51 N CA 1.109 54.191 53.050 0.054 0.000 0.861 51 N CB -0.087 38.447 38.487 0.078 0.000 0.986 51 N HN 0.202 nan 8.380 nan 0.000 0.428 52 V N 1.862 121.758 119.914 -0.029 0.000 2.343 52 V HA -0.192 3.945 4.120 0.029 0.000 0.247 52 V C 2.433 178.480 176.094 -0.078 0.000 1.051 52 V CA 1.030 63.298 62.300 -0.052 0.000 1.036 52 V CB -0.507 31.274 31.823 -0.071 0.000 0.654 52 V HN 0.184 nan 8.190 nan 0.000 0.451 53 L N -0.222 120.893 121.223 -0.180 0.000 2.127 53 L HA -0.143 4.214 4.340 0.029 0.000 0.211 53 L C 2.265 179.196 176.870 0.102 0.000 1.089 53 L CA 1.768 56.495 54.840 -0.189 0.000 0.757 53 L CB -0.393 41.340 42.059 -0.544 0.000 0.899 53 L HN 0.132 nan 8.230 nan 0.000 0.434 54 V N -0.877 119.121 119.914 0.139 0.000 2.407 54 V HA -0.219 3.919 4.120 0.029 0.000 0.245 54 V C 2.331 178.540 176.094 0.191 0.000 1.041 54 V CA 1.802 64.285 62.300 0.304 0.000 1.040 54 V CB -0.203 31.767 31.823 0.245 0.000 0.671 54 V HN 0.352 nan 8.190 nan 0.000 0.455 55 I N 0.131 120.755 120.570 0.090 0.000 2.252 55 I HA -0.211 3.976 4.170 0.029 0.000 0.245 55 I C 2.497 178.610 176.117 -0.007 0.000 1.102 55 I CA 1.856 63.175 61.300 0.031 0.000 1.385 55 I CB -0.561 37.440 38.000 0.002 0.000 1.064 55 I HN 0.334 nan 8.210 nan 0.000 0.414 56 T N 0.756 115.300 114.554 -0.017 0.000 2.777 56 T HA -0.111 4.256 4.350 0.029 0.000 0.266 56 T C 2.104 176.723 174.700 -0.134 0.000 1.040 56 T CA 1.192 63.244 62.100 -0.079 0.000 1.141 56 T CB -0.420 68.398 68.868 -0.083 0.000 0.868 56 T HN 0.439 nan 8.240 nan 0.000 0.444 57 A N 1.539 124.349 122.820 -0.016 0.000 1.873 57 A HA -0.115 4.223 4.320 0.029 0.000 0.218 57 A C 2.317 179.849 177.584 -0.087 0.000 1.193 57 A CA 1.595 53.627 52.037 -0.008 0.000 0.629 57 A CB -0.988 18.200 19.000 0.313 0.000 0.826 57 A HN 0.503 nan 8.150 nan 0.000 0.447 58 I N -0.430 120.146 120.570 0.009 0.000 2.226 58 I HA -0.287 3.900 4.170 0.029 0.000 0.245 58 I C 2.961 179.024 176.117 -0.091 0.000 1.100 58 I CA 1.017 62.307 61.300 -0.016 0.000 1.374 58 I CB -0.266 37.747 38.000 0.022 0.000 1.057 58 I HN 0.385 nan 8.210 nan 0.000 0.413 59 A N 0.497 123.238 122.820 -0.132 0.000 1.883 59 A HA -0.229 4.108 4.320 0.029 0.000 0.217 59 A C 2.357 179.825 177.584 -0.194 0.000 1.186 59 A CA 1.677 53.622 52.037 -0.153 0.000 0.624 59 A CB -0.391 18.523 19.000 -0.144 0.000 0.822 59 A HN 0.295 nan 8.150 nan 0.000 0.444 60 K N -1.428 118.762 120.400 -0.350 0.000 2.021 60 K HA 0.036 4.373 4.320 0.029 0.000 0.205 60 K C -0.497 175.893 176.600 -0.351 0.000 1.047 60 K CA 0.524 56.520 56.287 -0.484 0.000 0.943 60 K CB -0.178 31.768 32.500 -0.923 0.000 0.725 60 K HN 0.435 nan 8.250 nan 0.000 0.439 61 F N 2.033 121.958 119.950 -0.042 0.000 2.411 61 F HA 0.119 4.664 4.527 0.029 0.000 0.350 61 F C 1.044 176.808 175.800 -0.060 0.000 1.114 61 F CA -0.731 57.234 58.000 -0.058 0.000 1.135 61 F CB 1.004 39.952 39.000 -0.086 0.000 1.120 61 F HN 0.002 nan 8.300 nan 0.000 0.495 62 E N 0.970 121.247 120.200 0.128 0.000 2.274 62 E HA -0.098 4.270 4.350 0.029 0.000 0.194 62 E C 1.986 178.602 176.600 0.027 0.000 0.996 62 E CA 0.511 56.944 56.400 0.055 0.000 0.840 62 E CB -0.098 29.622 29.700 0.034 0.000 0.772 62 E HN 0.553 nan 8.360 nan 0.000 0.491 63 R N 0.742 121.253 120.500 0.019 0.000 2.096 63 R HA -0.015 4.343 4.340 0.029 0.000 0.235 63 R C 1.682 177.939 176.300 -0.071 0.000 1.127 63 R CA 0.935 57.010 56.100 -0.041 0.000 0.968 63 R CB -0.093 30.159 30.300 -0.079 0.000 0.861 63 R HN 0.214 nan 8.270 nan 0.000 0.440 64 L N 0.631 121.815 121.223 -0.064 0.000 2.478 64 L HA 0.002 4.360 4.340 0.029 0.000 0.223 64 L C 0.414 177.258 176.870 -0.043 0.000 1.140 64 L CA 0.414 55.167 54.840 -0.145 0.000 0.842 64 L CB -0.059 41.874 42.059 -0.210 0.000 0.953 64 L HN 0.236 nan 8.230 nan 0.000 0.452 65 Q N 1.550 121.364 119.800 0.024 0.000 2.513 65 Q HA 0.067 4.424 4.340 0.029 0.000 0.227 65 Q C 0.274 176.285 176.000 0.018 0.000 1.257 65 Q CA 0.029 55.907 55.803 0.124 0.000 0.915 65 Q CB 0.126 28.959 28.738 0.159 0.000 1.507 65 Q HN 0.284 nan 8.270 nan 0.000 0.543 66 T N -3.398 111.155 114.554 -0.003 0.000 2.888 66 T HA 0.348 4.715 4.350 0.029 0.000 0.288 66 T C 1.051 175.605 174.700 -0.244 0.000 1.063 66 T CA -0.877 61.148 62.100 -0.124 0.000 1.010 66 T CB 0.972 69.805 68.868 -0.059 0.000 1.214 66 T HN 0.100 nan 8.240 nan 0.000 0.533 67 V N 1.063 120.795 119.914 -0.304 0.000 2.295 67 V HA -0.166 3.972 4.120 0.029 0.000 0.246 67 V C 2.991 178.862 176.094 -0.373 0.000 1.049 67 V CA 2.695 64.736 62.300 -0.432 0.000 1.024 67 V CB -1.318 30.337 31.823 -0.280 0.000 0.648 67 V HN 1.111 nan 8.190 nan 0.000 0.447 68 T N 0.463 114.974 114.554 -0.071 0.000 2.720 68 T HA -0.178 4.189 4.350 0.029 0.000 0.268 68 T C 1.668 176.444 174.700 0.128 0.000 1.037 68 T CA 1.740 63.910 62.100 0.116 0.000 1.144 68 T CB -0.376 68.601 68.868 0.181 0.000 0.864 68 T HN 0.418 nan 8.240 nan 0.000 0.444 69 N N 0.043 118.807 118.700 0.105 0.000 2.494 69 N HA 0.049 4.806 4.740 0.029 0.000 0.182 69 N C 1.173 176.794 175.510 0.185 0.000 1.076 69 N CA 0.345 53.495 53.050 0.168 0.000 0.908 69 N CB -0.263 38.317 38.487 0.155 0.000 0.967 69 N HN 0.394 nan 8.380 nan 0.000 0.449 70 Y N -0.019 120.191 120.300 -0.150 0.000 2.220 70 Y HA -0.028 4.540 4.550 0.031 0.000 0.291 70 Y C 1.626 177.505 175.900 -0.036 0.000 1.129 70 Y CA 0.634 58.633 58.100 -0.169 0.000 1.161 70 Y CB -0.445 37.814 38.460 -0.335 0.000 0.997 70 Y HN -0.052 nan 8.280 nan 0.000 0.522 71 F N -0.705 119.391 119.950 0.243 0.000 2.146 71 F HA -0.155 4.389 4.527 0.029 0.000 0.298 71 F C 2.394 178.288 175.800 0.156 0.000 1.096 71 F CA 0.676 58.787 58.000 0.184 0.000 1.275 71 F CB -1.384 37.711 39.000 0.159 0.000 1.008 71 F HN -0.044 nan 8.300 nan 0.000 0.480 72 I N -0.397 120.361 120.570 0.313 0.000 2.335 72 I HA -0.318 3.869 4.170 0.029 0.000 0.251 72 I C 2.180 178.398 176.117 0.167 0.000 1.129 72 I CA 1.441 62.867 61.300 0.210 0.000 1.402 72 I CB -0.614 37.435 38.000 0.081 0.000 1.069 72 I HN 0.173 nan 8.210 nan 0.000 0.424 73 T N -0.047 114.586 114.554 0.132 0.000 2.708 73 T HA -0.186 4.182 4.350 0.029 0.000 0.266 73 T C 2.090 176.862 174.700 0.121 0.000 1.037 73 T CA 1.864 64.010 62.100 0.077 0.000 1.146 73 T CB -0.331 68.517 68.868 -0.033 0.000 0.865 73 T HN 0.557 nan 8.240 nan 0.000 0.435 74 S N 1.507 117.320 115.700 0.188 0.000 2.382 74 S HA -0.071 4.417 4.470 0.029 0.000 0.228 74 S C 2.057 176.880 174.600 0.372 0.000 1.027 74 S CA 0.847 59.224 58.200 0.295 0.000 0.991 74 S CB -0.681 62.790 63.200 0.453 0.000 0.823 74 S HN 0.268 nan 8.310 nan 0.000 0.469 75 L N 1.744 123.141 121.223 0.289 0.000 2.093 75 L HA 0.230 4.587 4.340 0.029 0.000 0.208 75 L C 2.734 179.745 176.870 0.236 0.000 1.085 75 L CA 1.620 56.605 54.840 0.241 0.000 0.755 75 L CB -1.031 41.155 42.059 0.211 0.000 0.904 75 L HN 0.417 nan 8.230 nan 0.000 0.435 76 A N -1.988 120.961 122.820 0.216 0.000 2.014 76 A HA -0.156 4.181 4.320 0.029 0.000 0.218 76 A C 2.326 180.004 177.584 0.157 0.000 1.163 76 A CA 1.371 53.520 52.037 0.186 0.000 0.652 76 A CB -1.214 17.883 19.000 0.161 0.000 0.808 76 A HN 0.586 nan 8.150 nan 0.000 0.449 77 C N -1.000 118.396 119.300 0.160 0.000 2.446 77 C HA 0.102 4.579 4.460 0.029 0.000 0.277 77 C C 3.275 178.399 174.990 0.224 0.000 1.275 77 C CA 0.692 59.786 59.018 0.127 0.000 1.727 77 C CB -1.227 26.528 27.740 0.026 0.000 2.010 77 C HN 0.706 nan 8.230 nan 0.000 0.486 78 A N 0.857 123.898 122.820 0.367 0.000 1.902 78 A HA -0.194 4.143 4.320 0.029 0.000 0.217 78 A C 1.761 179.474 177.584 0.215 0.000 1.181 78 A CA 2.115 54.374 52.037 0.369 0.000 0.623 78 A CB -0.539 18.635 19.000 0.289 0.000 0.818 78 A HN 0.536 nan 8.150 nan 0.000 0.443 79 D N -0.581 119.932 120.400 0.190 0.000 2.149 79 D HA -0.090 4.568 4.640 0.029 0.000 0.201 79 D C 1.834 178.199 176.300 0.109 0.000 0.972 79 D CA 1.059 55.146 54.000 0.145 0.000 0.835 79 D CB -0.320 40.568 40.800 0.147 0.000 0.966 79 D HN 0.358 nan 8.370 nan 0.000 0.476 80 L N 0.605 121.896 121.223 0.113 0.000 2.056 80 L HA -0.103 4.254 4.340 0.029 0.000 0.207 80 L C 2.117 179.045 176.870 0.097 0.000 1.078 80 L CA 1.271 56.164 54.840 0.088 0.000 0.749 80 L CB -0.419 41.684 42.059 0.073 0.000 0.901 80 L HN -0.149 nan 8.230 nan 0.000 0.433 81 V N -0.598 119.389 119.914 0.122 0.000 2.490 81 V HA -0.298 3.839 4.120 0.029 0.000 0.250 81 V C 2.540 178.701 176.094 0.110 0.000 1.061 81 V CA 1.849 64.231 62.300 0.137 0.000 1.064 81 V CB -0.561 31.369 31.823 0.178 0.000 0.670 81 V HN 0.506 nan 8.190 nan 0.000 0.461 82 M N 1.163 120.812 119.600 0.081 0.000 2.059 82 M HA -0.057 4.440 4.480 0.029 0.000 0.259 82 M C 2.082 178.376 176.300 -0.010 0.000 1.072 82 M CA 2.340 57.647 55.300 0.012 0.000 1.117 82 M CB -1.135 31.483 32.600 0.030 0.000 1.320 82 M HN 0.292 nan 8.290 nan 0.000 0.408 83 G N -0.701 108.109 108.800 0.016 0.000 2.432 83 G HA2 -0.136 3.842 3.960 0.029 0.000 0.219 83 G HA3 -0.136 3.842 3.960 0.029 0.000 0.219 83 G C 1.510 176.445 174.900 0.058 0.000 1.135 83 G CA 0.905 46.012 45.100 0.012 0.000 0.767 83 G HN 0.456 nan 8.290 nan 0.000 0.550 84 L N -0.220 121.062 121.223 0.098 0.000 2.127 84 L HA 0.197 4.554 4.340 0.029 0.000 0.203 84 L C 3.101 180.121 176.870 0.251 0.000 1.080 84 L CA 1.070 55.993 54.840 0.138 0.000 0.768 84 L CB -0.051 42.086 42.059 0.130 0.000 0.924 84 L HN 0.316 nan 8.230 nan 0.000 0.444 85 A N -1.431 121.563 122.820 0.290 0.000 1.944 85 A HA 0.067 4.405 4.320 0.029 0.000 0.207 85 A C 2.064 179.967 177.584 0.531 0.000 1.265 85 A CA 0.388 52.715 52.037 0.484 0.000 0.712 85 A CB -0.353 18.886 19.000 0.399 0.000 0.915 85 A HN 0.050 nan 8.150 nan 0.000 0.470 86 V N -0.010 120.031 119.914 0.211 0.000 2.273 86 V HA -0.152 3.985 4.120 0.029 0.000 0.242 86 V C 2.563 178.745 176.094 0.148 0.000 1.035 86 V CA 1.965 64.305 62.300 0.068 0.000 1.013 86 V CB -0.777 30.863 31.823 -0.304 0.000 0.652 86 V HN 0.305 nan 8.190 nan 0.000 0.452 87 V N 0.551 120.377 119.914 -0.146 0.000 2.295 87 V HA -0.136 4.002 4.120 0.029 0.000 0.246 87 V C 0.095 176.231 176.094 0.070 0.000 1.049 87 V CA 2.370 64.485 62.300 -0.308 0.000 1.024 87 V CB -2.091 29.524 31.823 -0.346 0.000 0.648 87 V HN 0.502 nan 8.190 nan 0.000 0.447 88 P HA -0.141 nan 4.420 nan 0.000 0.215 88 P C 1.643 178.989 177.300 0.077 0.000 1.157 88 P CA 1.605 64.741 63.100 0.059 0.000 0.868 88 P CB -0.173 31.479 31.700 -0.080 0.000 0.788 89 F N -0.495 119.548 119.950 0.156 0.000 2.269 89 F HA -0.039 4.505 4.527 0.029 0.000 0.301 89 F C 2.491 178.388 175.800 0.162 0.000 1.082 89 F CA 1.513 59.534 58.000 0.036 0.000 1.360 89 F CB -1.340 37.590 39.000 -0.117 0.000 1.041 89 F HN -0.051 nan 8.300 nan 0.000 0.512 90 G N -0.315 108.818 108.800 0.554 0.000 2.404 90 G HA2 -0.165 3.812 3.960 0.029 0.000 0.215 90 G HA3 -0.165 3.812 3.960 0.029 0.000 0.215 90 G C 1.931 177.242 174.900 0.685 0.000 1.174 90 G CA 0.733 46.250 45.100 0.695 0.000 0.780 90 G HN 0.410 nan 8.290 nan 0.000 0.537 91 A N 1.269 124.450 122.820 0.601 0.000 1.908 91 A HA 0.178 4.516 4.320 0.029 0.000 0.218 91 A C 2.816 180.535 177.584 0.225 0.000 1.181 91 A CA 2.480 54.745 52.037 0.379 0.000 0.627 91 A CB -0.851 18.317 19.000 0.281 0.000 0.818 91 A HN 0.814 nan 8.150 nan 0.000 0.445 92 A N -1.318 121.632 122.820 0.216 0.000 1.902 92 A HA -0.220 4.117 4.320 0.029 0.000 0.217 92 A C 2.143 179.847 177.584 0.201 0.000 1.181 92 A CA 1.737 53.869 52.037 0.159 0.000 0.623 92 A CB -0.999 18.109 19.000 0.179 0.000 0.818 92 A HN 0.785 nan 8.150 nan 0.000 0.443 93 H N -0.106 119.108 119.070 0.239 0.000 2.353 93 H HA -0.092 4.481 4.556 0.029 0.000 0.300 93 H C 1.954 177.417 175.328 0.225 0.000 1.090 93 H CA 1.965 58.184 56.048 0.283 0.000 1.327 93 H CB -0.096 29.912 29.762 0.410 0.000 1.383 93 H HN 0.476 nan 8.280 nan 0.000 0.508 94 I N 0.541 121.214 120.570 0.171 0.000 2.163 94 I HA -0.291 3.896 4.170 0.029 0.000 0.240 94 I C 2.698 178.809 176.117 -0.010 0.000 1.081 94 I CA 0.891 62.222 61.300 0.052 0.000 1.353 94 I CB -0.193 37.860 38.000 0.088 0.000 1.054 94 I HN 0.208 nan 8.210 nan 0.000 0.407 95 L N -0.364 120.866 121.223 0.013 0.000 2.072 95 L HA -0.164 4.193 4.340 0.029 0.000 0.205 95 L C 2.560 179.421 176.870 -0.015 0.000 1.079 95 L CA 1.268 56.105 54.840 -0.005 0.000 0.752 95 L CB -0.417 41.635 42.059 -0.012 0.000 0.906 95 L HN 0.249 nan 8.230 nan 0.000 0.436 96 M N -0.449 119.138 119.600 -0.023 0.000 2.539 96 M HA -0.173 4.324 4.480 0.029 0.000 0.261 96 M C 0.727 177.000 176.300 -0.044 0.000 1.069 96 M CA 1.106 56.382 55.300 -0.040 0.000 1.081 96 M CB -0.136 32.426 32.600 -0.063 0.000 1.412 96 M HN 0.100 nan 8.290 nan 0.000 0.482 97 K N 0.242 120.601 120.400 -0.068 0.000 3.349 97 K HA -0.180 4.157 4.320 0.029 0.000 0.310 97 K C -0.412 176.137 176.600 -0.086 0.000 1.267 97 K CA 1.278 57.515 56.287 -0.083 0.000 0.920 97 K CB -1.441 31.042 32.500 -0.028 0.000 1.240 97 K HN 0.588 nan 8.250 nan 0.000 0.453 98 M N -2.856 116.702 119.600 -0.070 0.000 2.562 98 M HA 0.275 4.772 4.480 0.029 0.000 0.281 98 M C -1.291 175.140 176.300 0.218 0.000 1.195 98 M CA -0.883 54.457 55.300 0.066 0.000 0.888 98 M CB 1.166 33.809 32.600 0.071 0.000 1.731 98 M HN 0.135 nan 8.290 nan 0.000 0.493 99 W N 3.721 125.146 121.300 0.208 0.000 2.238 99 W HA 0.349 5.026 4.660 0.029 0.000 0.321 99 W C -0.292 176.261 176.519 0.056 0.000 1.293 99 W CA 0.905 58.398 57.345 0.247 0.000 1.204 99 W CB 1.227 30.846 29.460 0.265 0.000 1.167 99 W HN 0.966 nan 8.180 nan 0.000 0.553 100 T N 2.020 116.215 114.554 -0.598 0.000 3.170 100 T HA 0.131 4.498 4.350 0.029 0.000 0.288 100 T C 0.348 174.590 174.700 -0.764 0.000 0.992 100 T CA -0.143 61.597 62.100 -0.600 0.000 0.909 100 T CB -0.720 67.779 68.868 -0.615 0.000 1.133 100 T HN 0.296 nan 8.240 nan 0.000 0.530 101 F N 2.536 122.116 119.950 -0.617 0.000 2.695 101 F HA 0.569 5.113 4.527 0.029 0.000 0.303 101 F C 1.548 177.442 175.800 0.156 0.000 1.091 101 F CA -0.156 57.691 58.000 -0.255 0.000 1.300 101 F CB 0.068 38.874 39.000 -0.322 0.000 1.071 101 F HN 0.491 nan 8.300 nan 0.000 0.578 102 G N 1.011 110.044 108.800 0.388 0.000 2.862 102 G HA2 -0.270 3.708 3.960 0.029 0.000 0.686 102 G HA3 -0.270 3.708 3.960 0.029 0.000 0.686 102 G C 0.354 175.636 174.900 0.637 0.000 1.134 102 G CA -0.542 44.831 45.100 0.456 0.000 0.791 102 G HN 0.112 nan 8.290 nan 0.000 0.592 103 N N -0.023 118.969 118.700 0.486 0.000 2.322 103 N HA -0.139 4.618 4.740 0.029 0.000 0.189 103 N C 1.906 177.669 175.510 0.421 0.000 1.012 103 N CA 1.908 55.205 53.050 0.411 0.000 0.880 103 N CB -0.297 38.376 38.487 0.309 0.000 0.967 103 N HN 0.640 nan 8.380 nan 0.000 0.439 104 F N -0.108 120.049 119.950 0.347 0.000 2.084 104 F HA -0.119 4.425 4.527 0.029 0.000 0.296 104 F C 2.327 178.378 175.800 0.419 0.000 1.111 104 F CA 1.284 59.482 58.000 0.330 0.000 1.224 104 F CB -0.478 38.684 39.000 0.270 0.000 0.991 104 F HN 0.160 nan 8.300 nan 0.000 0.471 105 W N 0.658 122.143 121.300 0.308 0.000 2.465 105 W HA -0.185 4.492 4.660 0.029 0.000 0.268 105 W C 2.383 179.121 176.519 0.364 0.000 1.242 105 W CA 1.269 58.747 57.345 0.222 0.000 1.248 105 W CB -0.737 28.881 29.460 0.264 0.000 1.118 105 W HN 0.285 nan 8.180 nan 0.000 0.587 106 c N 1.550 120.404 118.600 0.424 0.000 2.413 106 c HA -0.220 4.367 4.570 0.029 0.000 0.278 106 c C 2.499 176.453 174.090 -0.226 0.000 1.224 106 c CA 2.148 58.334 56.329 -0.238 0.000 1.732 106 c CB -1.076 41.169 42.510 -0.441 0.000 2.050 106 c HN 0.385 nan 8.230 nan 0.000 0.463 107 E N -0.996 119.133 120.200 -0.118 0.000 2.085 107 E HA -0.222 4.145 4.350 0.029 0.000 0.194 107 E C 1.878 178.260 176.600 -0.362 0.000 0.994 107 E CA 1.739 58.031 56.400 -0.180 0.000 0.801 107 E CB -0.364 29.318 29.700 -0.031 0.000 0.743 107 E HN 0.800 nan 8.360 nan 0.000 0.453 108 F N -0.379 119.218 119.950 -0.589 0.000 2.128 108 F HA -0.135 4.409 4.527 0.029 0.000 0.295 108 F C 2.089 177.377 175.800 -0.854 0.000 1.100 108 F CA 1.302 58.889 58.000 -0.689 0.000 1.260 108 F CB -0.248 38.305 39.000 -0.745 0.000 1.009 108 F HN 0.115 nan 8.300 nan 0.000 0.476 109 W N 1.416 122.022 121.300 -1.157 0.000 2.305 109 W HA -0.285 4.392 4.660 0.029 0.000 0.308 109 W C 2.251 178.318 176.519 -0.753 0.000 1.226 109 W CA 2.870 59.533 57.345 -1.137 0.000 1.253 109 W CB -0.869 28.001 29.460 -0.984 0.000 1.146 109 W HN -0.065 nan 8.180 nan 0.000 0.507 110 T N -0.006 114.103 114.554 -0.743 0.000 2.643 110 T HA -0.226 4.142 4.350 0.029 0.000 0.264 110 T C 1.913 176.066 174.700 -0.911 0.000 1.045 110 T CA 2.222 63.764 62.100 -0.931 0.000 1.155 110 T CB -0.950 67.464 68.868 -0.757 0.000 0.863 110 T HN 0.131 nan 8.240 nan 0.000 0.420 111 S N 1.233 116.352 115.700 -0.968 0.000 2.383 111 S HA -0.026 4.462 4.470 0.029 0.000 0.229 111 S C 2.082 176.011 174.600 -1.118 0.000 1.030 111 S CA 0.904 58.350 58.200 -1.257 0.000 1.002 111 S CB -0.530 61.397 63.200 -2.122 0.000 0.829 111 S HN 0.387 nan 8.310 nan 0.000 0.467 112 I N 1.644 121.665 120.570 -0.915 0.000 2.163 112 I HA -0.225 3.962 4.170 0.029 0.000 0.243 112 I C 2.545 178.400 176.117 -0.437 0.000 1.085 112 I CA 1.548 62.555 61.300 -0.487 0.000 1.347 112 I CB -0.436 37.358 38.000 -0.343 0.000 1.044 112 I HN 0.243 nan 8.210 nan 0.000 0.408 113 D N 0.857 120.888 120.400 -0.615 0.000 2.104 113 D HA -0.152 4.506 4.640 0.029 0.000 0.194 113 D C 2.197 178.230 176.300 -0.445 0.000 0.994 113 D CA 1.400 55.065 54.000 -0.559 0.000 0.830 113 D CB -0.095 40.185 40.800 -0.866 0.000 0.959 113 D HN 0.089 nan 8.370 nan 0.000 0.452 114 V N 0.716 120.326 119.914 -0.505 0.000 2.343 114 V HA -0.203 3.934 4.120 0.029 0.000 0.247 114 V C 2.633 178.546 176.094 -0.302 0.000 1.051 114 V CA 1.460 63.539 62.300 -0.368 0.000 1.036 114 V CB -0.574 31.048 31.823 -0.335 0.000 0.654 114 V HN 0.261 nan 8.190 nan 0.000 0.451 115 L N -0.113 120.914 121.223 -0.327 0.000 2.079 115 L HA -0.197 4.160 4.340 0.029 0.000 0.210 115 L C 2.322 179.028 176.870 -0.274 0.000 1.081 115 L CA 2.196 56.892 54.840 -0.240 0.000 0.752 115 L CB -0.984 41.013 42.059 -0.103 0.000 0.896 115 L HN 0.376 nan 8.230 nan 0.000 0.433 116 C N -1.936 117.235 119.300 -0.214 0.000 2.466 116 C HA -0.061 4.416 4.460 0.029 0.000 0.278 116 C C 2.694 177.582 174.990 -0.169 0.000 1.288 116 C CA 0.767 59.691 59.018 -0.155 0.000 1.722 116 C CB -0.715 26.998 27.740 -0.045 0.000 2.017 116 C HN 0.483 nan 8.230 nan 0.000 0.488 117 V N 0.807 120.589 119.914 -0.221 0.000 2.427 117 V HA -0.189 3.949 4.120 0.029 0.000 0.248 117 V C 2.428 178.415 176.094 -0.179 0.000 1.051 117 V CA 2.467 64.592 62.300 -0.292 0.000 1.048 117 V CB -1.253 30.217 31.823 -0.588 0.000 0.666 117 V HN 0.596 nan 8.190 nan 0.000 0.456 118 T N 0.619 115.066 114.554 -0.178 0.000 2.770 118 T HA -0.073 4.294 4.350 0.029 0.000 0.263 118 T C 2.096 176.710 174.700 -0.143 0.000 1.039 118 T CA 1.523 63.563 62.100 -0.100 0.000 1.142 118 T CB -0.393 68.403 68.868 -0.121 0.000 0.868 118 T HN 0.552 nan 8.240 nan 0.000 0.435 119 A N 1.157 123.759 122.820 -0.363 0.000 1.969 119 A HA -0.037 4.300 4.320 0.029 0.000 0.218 119 A C 2.587 179.977 177.584 -0.325 0.000 1.169 119 A CA 1.654 53.344 52.037 -0.579 0.000 0.635 119 A CB -0.735 17.457 19.000 -1.346 0.000 0.810 119 A HN 0.402 nan 8.150 nan 0.000 0.445 120 S N -0.538 115.027 115.700 -0.225 0.000 2.338 120 S HA -0.119 4.368 4.470 0.029 0.000 0.218 120 S C 1.887 176.244 174.600 -0.405 0.000 1.032 120 S CA 1.395 59.481 58.200 -0.190 0.000 0.999 120 S CB -0.378 62.814 63.200 -0.013 0.000 0.905 120 S HN 0.547 nan 8.310 nan 0.000 0.439 121 I N 0.344 120.645 120.570 -0.450 0.000 2.286 121 I HA -0.080 4.107 4.170 0.029 0.000 0.248 121 I C 1.615 177.468 176.117 -0.439 0.000 1.115 121 I CA 1.161 62.097 61.300 -0.607 0.000 1.392 121 I CB -0.373 37.429 38.000 -0.330 0.000 1.065 121 I HN 0.375 nan 8.210 nan 0.000 0.418 122 W N 0.447 121.548 121.300 -0.332 0.000 2.519 122 W HA -0.098 4.579 4.660 0.028 0.000 0.266 122 W C 2.551 178.908 176.519 -0.269 0.000 1.253 122 W CA 1.476 58.655 57.345 -0.277 0.000 1.274 122 W CB -0.528 28.784 29.460 -0.248 0.000 1.114 122 W HN 0.011 nan 8.180 nan 0.000 0.596 123 T N 0.671 115.177 114.554 -0.081 0.000 2.770 123 T HA -0.150 4.217 4.350 0.029 0.000 0.263 123 T C 1.885 176.475 174.700 -0.185 0.000 1.039 123 T CA 1.170 63.203 62.100 -0.111 0.000 1.142 123 T CB -0.558 68.300 68.868 -0.017 0.000 0.868 123 T HN 0.024 nan 8.240 nan 0.000 0.435 124 L N 0.555 121.630 121.223 -0.247 0.000 2.042 124 L HA -0.144 4.213 4.340 0.029 0.000 0.210 124 L C 2.970 179.680 176.870 -0.267 0.000 1.076 124 L CA 0.878 55.554 54.840 -0.273 0.000 0.749 124 L CB -0.752 41.066 42.059 -0.401 0.000 0.893 124 L HN 0.416 nan 8.230 nan 0.000 0.432 125 C N -0.387 118.721 119.300 -0.319 0.000 2.413 125 C HA -0.148 4.329 4.460 0.029 0.000 0.277 125 C C 2.832 177.712 174.990 -0.182 0.000 1.228 125 C CA 0.965 59.799 59.018 -0.307 0.000 1.731 125 C CB -0.488 26.945 27.740 -0.512 0.000 2.042 125 C HN 0.362 nan 8.230 nan 0.000 0.468 126 V N 1.111 120.923 119.914 -0.170 0.000 2.324 126 V HA -0.262 3.875 4.120 0.029 0.000 0.250 126 V C 2.231 178.200 176.094 -0.209 0.000 1.060 126 V CA 2.519 64.703 62.300 -0.193 0.000 1.042 126 V CB -0.636 30.985 31.823 -0.338 0.000 0.650 126 V HN 0.602 nan 8.190 nan 0.000 0.450 127 I N 0.017 120.464 120.570 -0.206 0.000 2.286 127 I HA -0.236 3.951 4.170 0.029 0.000 0.248 127 I C 2.609 178.792 176.117 0.110 0.000 1.115 127 I CA 1.374 62.668 61.300 -0.010 0.000 1.392 127 I CB -0.489 37.529 38.000 0.030 0.000 1.065 127 I HN 0.310 nan 8.210 nan 0.000 0.418 128 A N 0.148 123.002 122.820 0.058 0.000 1.902 128 A HA -0.153 4.184 4.320 0.029 0.000 0.217 128 A C 2.410 180.126 177.584 0.220 0.000 1.181 128 A CA 1.634 53.809 52.037 0.229 0.000 0.623 128 A CB -0.884 18.196 19.000 0.133 0.000 0.818 128 A HN 0.243 nan 8.150 nan 0.000 0.443 129 V N 0.374 120.377 119.914 0.149 0.000 2.427 129 V HA -0.219 3.918 4.120 0.029 0.000 0.248 129 V C 2.316 178.649 176.094 0.398 0.000 1.051 129 V CA 2.429 64.873 62.300 0.240 0.000 1.048 129 V CB -0.650 31.302 31.823 0.215 0.000 0.666 129 V HN 0.733 nan 8.190 nan 0.000 0.456 130 D N -0.292 120.288 120.400 0.301 0.000 2.144 130 D HA -0.168 4.489 4.640 0.029 0.000 0.200 130 D C 2.353 178.844 176.300 0.317 0.000 0.978 130 D CA 1.012 55.218 54.000 0.343 0.000 0.833 130 D CB -0.013 41.013 40.800 0.377 0.000 0.961 130 D HN 0.098 nan 8.370 nan 0.000 0.470 131 R N -0.469 120.200 120.500 0.282 0.000 2.081 131 R HA -0.166 4.191 4.340 0.029 0.000 0.235 131 R C 2.250 178.618 176.300 0.113 0.000 1.131 131 R CA 1.083 57.311 56.100 0.213 0.000 0.960 131 R CB -1.366 29.087 30.300 0.254 0.000 0.856 131 R HN 0.444 nan 8.270 nan 0.000 0.436 132 Y N 0.316 120.613 120.300 -0.005 0.000 2.145 132 Y HA -0.211 4.358 4.550 0.032 0.000 0.286 132 Y C 1.892 177.680 175.900 -0.187 0.000 1.145 132 Y CA 1.583 59.584 58.100 -0.165 0.000 1.148 132 Y CB -0.394 37.900 38.460 -0.277 0.000 0.981 132 Y HN -0.105 nan 8.280 nan 0.000 0.507 133 F N -0.242 119.784 119.950 0.126 0.000 2.407 133 F HA 0.009 4.552 4.527 0.027 0.000 0.299 133 F C 2.448 178.226 175.800 -0.038 0.000 1.097 133 F CA 0.798 58.824 58.000 0.043 0.000 1.422 133 F CB -0.854 38.238 39.000 0.154 0.000 1.067 133 F HN 0.175 nan 8.300 nan 0.000 0.539 134 A N 0.214 123.118 122.820 0.140 0.000 1.858 134 A HA -0.178 4.159 4.320 0.029 0.000 0.216 134 A C 2.221 179.762 177.584 -0.072 0.000 1.190 134 A CA 1.660 53.739 52.037 0.070 0.000 0.617 134 A CB -1.025 18.039 19.000 0.108 0.000 0.827 134 A HN 0.396 nan 8.150 nan 0.000 0.443 135 I N 0.179 120.643 120.570 -0.178 0.000 2.546 135 I HA -0.127 4.060 4.170 0.029 0.000 0.255 135 I C 1.818 177.738 176.117 -0.329 0.000 1.163 135 I CA 1.763 62.889 61.300 -0.290 0.000 1.457 135 I CB 0.105 37.941 38.000 -0.274 0.000 1.092 135 I HN 0.462 nan 8.210 nan 0.000 0.434 136 T N -2.052 112.268 114.554 -0.391 0.000 3.163 136 T HA 0.190 4.557 4.350 0.029 0.000 0.252 136 T C 0.710 175.300 174.700 -0.183 0.000 1.056 136 T CA 0.076 61.970 62.100 -0.343 0.000 0.947 136 T CB -0.562 67.989 68.868 -0.528 0.000 1.016 136 T HN 0.353 nan 8.240 nan 0.000 0.554 137 S N 1.544 117.168 115.700 -0.127 0.000 2.713 137 S HA 0.462 4.949 4.470 0.029 0.000 0.283 137 S C -1.550 172.971 174.600 -0.131 0.000 1.161 137 S CA -1.439 56.724 58.200 -0.062 0.000 0.999 137 S CB 1.701 64.928 63.200 0.044 0.000 1.039 137 S HN 0.001 nan 8.310 nan 0.000 0.548 138 P HA 0.006 nan 4.420 nan 0.000 0.220 138 P C -0.119 176.953 177.300 -0.379 0.000 1.148 138 P CA 0.882 63.791 63.100 -0.317 0.000 0.803 138 P CB -0.176 31.263 31.700 -0.434 0.000 0.782 139 F N 2.054 121.953 119.950 -0.085 0.000 2.567 139 F HA 0.217 4.750 4.527 0.011 0.000 0.352 139 F C 1.165 176.887 175.800 -0.131 0.000 1.229 139 F CA -0.775 57.177 58.000 -0.080 0.000 1.228 139 F CB -0.346 38.630 39.000 -0.039 0.000 1.568 139 F HN -0.292 nan 8.300 nan 0.000 0.634 140 K N 2.303 122.638 120.400 -0.109 0.000 2.382 140 K HA 0.068 4.405 4.320 0.029 0.000 0.275 140 K C -0.334 176.081 176.600 -0.309 0.000 1.009 140 K CA -0.134 55.894 56.287 -0.432 0.000 0.970 140 K CB 0.331 32.323 32.500 -0.847 0.000 0.934 140 K HN 0.518 nan 8.250 nan 0.000 0.479 141 Y N -2.171 118.169 120.300 0.066 0.000 4.936 141 Y HA -0.297 4.266 4.550 0.023 0.000 0.260 141 Y C 0.113 176.056 175.900 0.072 0.000 0.928 141 Y CA 0.690 58.834 58.100 0.074 0.000 1.869 141 Y CB -2.029 36.482 38.460 0.085 0.000 1.344 141 Y HN 0.674 nan 8.280 nan 0.000 0.521 142 Q N 0.649 120.546 119.800 0.161 0.000 2.340 142 Q HA 0.576 4.933 4.340 0.029 0.000 0.268 142 Q C 0.058 176.107 176.000 0.081 0.000 1.031 142 Q CA -0.365 55.495 55.803 0.094 0.000 0.804 142 Q CB 1.951 30.706 28.738 0.028 0.000 1.286 142 Q HN 0.246 nan 8.270 nan 0.000 0.448 143 S N 3.079 118.815 115.700 0.061 0.000 2.568 143 S HA 0.103 4.590 4.470 0.029 0.000 0.282 143 S C 0.976 175.608 174.600 0.054 0.000 1.338 143 S CA -0.167 58.081 58.200 0.081 0.000 1.045 143 S CB 0.393 63.630 63.200 0.061 0.000 0.873 143 S HN 0.761 nan 8.310 nan 0.000 0.516 144 L N 3.292 124.568 121.223 0.089 0.000 2.509 144 L HA 0.229 4.586 4.340 0.029 0.000 0.222 144 L C 0.348 177.231 176.870 0.021 0.000 1.123 144 L CA 0.146 55.023 54.840 0.061 0.000 0.856 144 L CB -0.196 41.909 42.059 0.077 0.000 0.985 144 L HN 0.542 nan 8.230 nan 0.000 0.456 145 L N -0.201 121.040 121.223 0.030 0.000 2.418 145 L HA 0.189 4.546 4.340 0.029 0.000 0.265 145 L C 0.876 177.719 176.870 -0.044 0.000 1.143 145 L CA -0.361 54.485 54.840 0.011 0.000 0.809 145 L CB 0.981 43.081 42.059 0.069 0.000 1.124 145 L HN 0.103 nan 8.230 nan 0.000 0.456 146 T N -1.993 112.528 114.554 -0.054 0.000 2.847 146 T HA 0.197 4.564 4.350 0.029 0.000 0.279 146 T C 0.871 175.483 174.700 -0.147 0.000 0.984 146 T CA -0.751 61.292 62.100 -0.095 0.000 0.988 146 T CB 1.490 70.317 68.868 -0.069 0.000 1.040 146 T HN 0.570 nan 8.240 nan 0.000 0.528 147 K N 0.282 120.557 120.400 -0.208 0.000 2.063 147 K HA -0.134 4.203 4.320 0.029 0.000 0.208 147 K C 2.288 178.791 176.600 -0.163 0.000 1.048 147 K CA 1.440 57.523 56.287 -0.340 0.000 0.928 147 K CB -0.133 32.168 32.500 -0.330 0.000 0.713 147 K HN 0.508 nan 8.250 nan 0.000 0.442 148 N N 0.489 119.148 118.700 -0.069 0.000 2.135 148 N HA -0.147 4.611 4.740 0.029 0.000 0.186 148 N C 1.668 177.189 175.510 0.018 0.000 1.027 148 N CA 1.050 54.099 53.050 -0.002 0.000 0.849 148 N CB -0.071 38.414 38.487 -0.003 0.000 1.002 148 N HN 0.035 nan 8.380 nan 0.000 0.425 149 K N 1.535 121.937 120.400 0.003 0.000 2.147 149 K HA 0.024 4.361 4.320 0.029 0.000 0.205 149 K C 1.760 178.405 176.600 0.075 0.000 1.049 149 K CA 1.162 57.467 56.287 0.029 0.000 0.936 149 K CB -0.466 32.043 32.500 0.014 0.000 0.722 149 K HN 0.136 nan 8.250 nan 0.000 0.446 150 A N 0.740 123.594 122.820 0.057 0.000 1.877 150 A HA -0.154 4.184 4.320 0.029 0.000 0.216 150 A C 2.111 179.826 177.584 0.217 0.000 1.186 150 A CA 1.634 53.751 52.037 0.133 0.000 0.620 150 A CB -0.512 18.413 19.000 -0.126 0.000 0.822 150 A HN 0.332 nan 8.150 nan 0.000 0.443 151 R N -0.683 119.921 120.500 0.173 0.000 2.133 151 R HA -0.144 4.214 4.340 0.029 0.000 0.247 151 R C 2.001 178.396 176.300 0.158 0.000 1.151 151 R CA 1.628 57.844 56.100 0.194 0.000 0.971 151 R CB -0.611 29.783 30.300 0.158 0.000 0.866 151 R HN 0.421 nan 8.270 nan 0.000 0.447 152 V N 1.226 121.217 119.914 0.128 0.000 2.379 152 V HA -0.210 3.927 4.120 0.029 0.000 0.245 152 V C 2.280 178.453 176.094 0.131 0.000 1.044 152 V CA 1.298 63.660 62.300 0.104 0.000 1.036 152 V CB -0.348 31.517 31.823 0.070 0.000 0.664 152 V HN 0.254 nan 8.190 nan 0.000 0.453 153 I N -0.095 120.577 120.570 0.171 0.000 2.248 153 I HA -0.262 3.925 4.170 0.029 0.000 0.248 153 I C 2.310 178.554 176.117 0.211 0.000 1.107 153 I CA 2.007 63.413 61.300 0.177 0.000 1.373 153 I CB -0.914 37.221 38.000 0.226 0.000 1.055 153 I HN 0.293 nan 8.210 nan 0.000 0.418 154 I N 0.220 120.971 120.570 0.302 0.000 2.202 154 I HA -0.279 3.909 4.170 0.029 0.000 0.242 154 I C 2.593 178.920 176.117 0.350 0.000 1.091 154 I CA 1.070 62.585 61.300 0.359 0.000 1.368 154 I CB -0.240 37.978 38.000 0.364 0.000 1.058 154 I HN 0.123 nan 8.210 nan 0.000 0.410 155 L N -0.201 121.145 121.223 0.205 0.000 2.012 155 L HA -0.264 4.093 4.340 0.029 0.000 0.210 155 L C 2.691 179.661 176.870 0.167 0.000 1.073 155 L CA 1.579 56.512 54.840 0.155 0.000 0.748 155 L CB -0.418 41.688 42.059 0.077 0.000 0.891 155 L HN 0.274 nan 8.230 nan 0.000 0.431 156 M N -1.154 118.515 119.600 0.116 0.000 2.065 156 M HA -0.218 4.279 4.480 0.029 0.000 0.259 156 M C 2.347 178.659 176.300 0.019 0.000 1.069 156 M CA 1.559 56.890 55.300 0.051 0.000 1.110 156 M CB -0.522 32.091 32.600 0.021 0.000 1.328 156 M HN 0.075 nan 8.290 nan 0.000 0.405 157 V N -0.618 119.318 119.914 0.035 0.000 2.278 157 V HA -0.300 3.838 4.120 0.029 0.000 0.251 157 V C 1.885 177.904 176.094 -0.126 0.000 1.062 157 V CA 2.286 64.537 62.300 -0.081 0.000 1.038 157 V CB -0.827 30.980 31.823 -0.027 0.000 0.646 157 V HN 0.551 nan 8.190 nan 0.000 0.447 158 W N -0.497 120.777 121.300 -0.044 0.000 2.381 158 W HA -0.016 4.661 4.660 0.028 0.000 0.301 158 W C 2.310 178.800 176.519 -0.048 0.000 1.205 158 W CA 0.987 58.312 57.345 -0.034 0.000 1.285 158 W CB -0.543 28.912 29.460 -0.008 0.000 1.133 158 W HN 0.150 nan 8.180 nan 0.000 0.521 159 I N -0.544 120.119 120.570 0.157 0.000 2.099 159 I HA -0.342 3.845 4.170 0.029 0.000 0.239 159 I C 2.182 178.294 176.117 -0.009 0.000 1.066 159 I CA 1.399 62.735 61.300 0.059 0.000 1.324 159 I CB -1.083 36.937 38.000 0.034 0.000 1.037 159 I HN -0.238 nan 8.210 nan 0.000 0.401 160 V N -0.080 119.793 119.914 -0.069 0.000 2.343 160 V HA -0.295 3.842 4.120 0.029 0.000 0.247 160 V C 2.540 178.539 176.094 -0.159 0.000 1.051 160 V CA 2.156 64.374 62.300 -0.136 0.000 1.036 160 V CB -0.520 31.164 31.823 -0.232 0.000 0.654 160 V HN 0.370 nan 8.190 nan 0.000 0.451 161 S N 0.196 115.773 115.700 -0.205 0.000 2.356 161 S HA -0.139 4.348 4.470 0.029 0.000 0.223 161 S C 2.075 176.626 174.600 -0.082 0.000 1.032 161 S CA 1.428 59.498 58.200 -0.216 0.000 1.005 161 S CB -0.714 62.278 63.200 -0.346 0.000 0.867 161 S HN 0.707 nan 8.310 nan 0.000 0.449 162 G N 1.727 110.530 108.800 0.004 0.000 2.459 162 G HA2 -0.181 3.796 3.960 0.029 0.000 0.217 162 G HA3 -0.181 3.796 3.960 0.029 0.000 0.217 162 G C 1.352 176.336 174.900 0.140 0.000 1.183 162 G CA 0.837 46.018 45.100 0.135 0.000 0.776 162 G HN 0.436 nan 8.290 nan 0.000 0.552 163 L N 0.954 122.204 121.223 0.044 0.000 2.012 163 L HA -0.108 4.249 4.340 0.029 0.000 0.210 163 L C 3.269 180.174 176.870 0.059 0.000 1.073 163 L CA 1.897 56.763 54.840 0.043 0.000 0.748 163 L CB -0.906 41.161 42.059 0.014 0.000 0.891 163 L HN 0.472 nan 8.230 nan 0.000 0.431 164 T N -5.050 109.517 114.554 0.022 0.000 3.118 164 T HA 0.008 4.375 4.350 0.029 0.000 0.260 164 T C 1.735 176.452 174.700 0.029 0.000 1.139 164 T CA 0.940 63.060 62.100 0.033 0.000 1.085 164 T CB 0.111 68.967 68.868 -0.020 0.000 0.934 164 T HN 0.169 nan 8.240 nan 0.000 0.518 165 S N 0.246 115.945 115.700 -0.001 0.000 2.427 165 S HA 0.294 4.781 4.470 0.029 0.000 0.224 165 S C 1.242 175.729 174.600 -0.187 0.000 1.047 165 S CA 0.116 58.256 58.200 -0.101 0.000 0.953 165 S CB -0.321 62.770 63.200 -0.181 0.000 0.824 165 S HN 0.458 nan 8.310 nan 0.000 0.502 166 F N 1.839 121.697 119.950 -0.152 0.000 2.147 166 F HA 0.227 4.771 4.527 0.029 0.000 0.291 166 F C 2.043 177.720 175.800 -0.205 0.000 1.093 166 F CA 0.569 58.446 58.000 -0.207 0.000 1.263 166 F CB -0.540 38.336 39.000 -0.207 0.000 1.036 166 F HN 0.049 nan 8.300 nan 0.000 0.481 167 L N 0.151 121.374 121.223 0.001 0.000 1.990 167 L HA -0.218 4.139 4.340 0.029 0.000 0.213 167 L C -0.400 176.219 176.870 -0.418 0.000 1.072 167 L CA 1.797 56.498 54.840 -0.232 0.000 0.755 167 L CB -2.205 39.747 42.059 -0.178 0.000 0.889 167 L HN 0.080 nan 8.230 nan 0.000 0.432 168 P HA -0.227 nan 4.420 nan 0.000 0.216 168 P C 1.794 179.096 177.300 0.004 0.000 1.157 168 P CA 1.636 64.802 63.100 0.111 0.000 0.880 168 P CB -0.031 31.925 31.700 0.427 0.000 0.791 169 I N -1.004 119.492 120.570 -0.124 0.000 2.193 169 I HA -0.157 4.030 4.170 0.029 0.000 0.240 169 I C 2.242 178.294 176.117 -0.108 0.000 1.084 169 I CA 1.616 62.771 61.300 -0.241 0.000 1.365 169 I CB -1.553 36.177 38.000 -0.451 0.000 1.064 169 I HN 0.071 nan 8.210 nan 0.000 0.410 170 Q N -0.258 119.419 119.800 -0.205 0.000 2.230 170 Q HA -0.012 4.346 4.340 0.029 0.000 0.202 170 Q C 1.904 177.611 176.000 -0.487 0.000 0.963 170 Q CA 0.879 56.539 55.803 -0.237 0.000 0.866 170 Q CB -0.077 28.603 28.738 -0.098 0.000 0.931 170 Q HN 0.453 nan 8.270 nan 0.000 0.452 171 M N -0.040 119.209 119.600 -0.585 0.000 2.561 171 M HA 0.014 4.511 4.480 0.029 0.000 0.238 171 M C -0.345 175.643 176.300 -0.519 0.000 1.131 171 M CA 0.465 55.304 55.300 -0.767 0.000 1.046 171 M CB -0.488 31.191 32.600 -1.536 0.000 1.532 171 M HN 0.247 nan 8.290 nan 0.000 0.497 172 H N -2.904 116.071 119.070 -0.159 0.000 3.047 172 H HA -0.201 4.372 4.556 0.029 0.000 0.263 172 H C 0.672 175.940 175.328 -0.100 0.000 1.168 172 H CA 1.041 57.006 56.048 -0.139 0.000 1.152 172 H CB -2.127 27.526 29.762 -0.182 0.000 1.278 172 H HN 0.510 nan 8.280 nan 0.000 0.339 173 W N 0.569 121.908 121.300 0.066 0.000 2.519 173 W HA -0.077 4.600 4.660 0.029 0.000 0.266 173 W C 2.358 178.867 176.519 -0.017 0.000 1.253 173 W CA 1.270 58.634 57.345 0.032 0.000 1.274 173 W CB -1.258 28.266 29.460 0.108 0.000 1.114 173 W HN 0.528 nan 8.180 nan 0.000 0.596 174 Y N 0.402 120.716 120.300 0.024 0.000 2.439 174 Y HA 0.199 4.766 4.550 0.029 0.000 0.292 174 Y C 1.152 176.938 175.900 -0.191 0.000 1.130 174 Y CA -0.280 57.609 58.100 -0.351 0.000 1.254 174 Y CB -1.127 36.816 38.460 -0.861 0.000 1.000 174 Y HN -0.314 nan 8.280 nan 0.000 0.554 175 R N 1.885 121.875 120.500 -0.850 0.000 2.570 175 R HA 0.361 4.718 4.340 0.029 0.000 0.277 175 R C 0.220 176.364 176.300 -0.258 0.000 1.039 175 R CA 0.260 55.889 56.100 -0.786 0.000 1.065 175 R CB 0.489 30.185 30.300 -1.008 0.000 0.964 175 R HN 0.433 nan 8.270 nan 0.000 0.428 176 A N 1.760 124.546 122.820 -0.058 0.000 2.407 176 A HA 0.094 4.431 4.320 0.029 0.000 0.248 176 A C 1.231 178.757 177.584 -0.096 0.000 1.082 176 A CA -0.198 51.825 52.037 -0.024 0.000 0.785 176 A CB 0.413 19.376 19.000 -0.061 0.000 1.020 176 A HN 0.878 nan 8.150 nan 0.000 0.489 177 T N -0.418 114.103 114.554 -0.055 0.000 3.044 177 T HA 0.040 4.407 4.350 0.029 0.000 0.255 177 T C 0.894 175.552 174.700 -0.070 0.000 1.073 177 T CA 0.912 62.978 62.100 -0.057 0.000 1.125 177 T CB -0.569 68.293 68.868 -0.009 0.000 0.908 177 T HN 0.867 nan 8.240 nan 0.000 0.480 178 H N 1.027 120.069 119.070 -0.046 0.000 2.757 178 H HA 0.277 4.850 4.556 0.029 0.000 0.370 178 H C 1.392 176.664 175.328 -0.095 0.000 1.172 178 H CA -0.241 55.765 56.048 -0.070 0.000 1.426 178 H CB 0.907 30.618 29.762 -0.085 0.000 1.438 178 H HN 0.043 nan 8.280 nan 0.000 0.612 179 Q N 1.103 120.917 119.800 0.022 0.000 2.030 179 Q HA -0.226 4.131 4.340 0.029 0.000 0.204 179 Q C 2.319 178.253 176.000 -0.111 0.000 0.986 179 Q CA 2.291 58.067 55.803 -0.044 0.000 0.843 179 Q CB -0.411 28.324 28.738 -0.005 0.000 0.904 179 Q HN 0.886 nan 8.270 nan 0.000 0.420 180 E N -0.848 119.336 120.200 -0.026 0.000 2.187 180 E HA -0.283 4.084 4.350 0.029 0.000 0.199 180 E C 1.606 177.938 176.600 -0.447 0.000 1.004 180 E CA 1.502 57.819 56.400 -0.138 0.000 0.813 180 E CB -0.359 29.311 29.700 -0.049 0.000 0.736 180 E HN 0.466 nan 8.360 nan 0.000 0.468 181 A N 0.644 123.003 122.820 -0.769 0.000 1.872 181 A HA -0.071 4.266 4.320 0.029 0.000 0.214 181 A C 2.167 179.374 177.584 -0.629 0.000 1.187 181 A CA 1.265 52.692 52.037 -1.016 0.000 0.614 181 A CB -0.484 17.850 19.000 -1.111 0.000 0.826 181 A HN 0.354 nan 8.150 nan 0.000 0.442 182 I N 0.510 120.914 120.570 -0.276 0.000 2.567 182 I HA -0.222 3.965 4.170 0.029 0.000 0.257 182 I C 1.762 177.865 176.117 -0.023 0.000 1.184 182 I CA 0.773 62.085 61.300 0.020 0.000 1.451 182 I CB -0.438 37.559 38.000 -0.005 0.000 1.089 182 I HN 0.273 nan 8.210 nan 0.000 0.441 183 N N 0.234 118.870 118.700 -0.106 0.000 2.216 183 N HA -0.156 4.601 4.740 0.029 0.000 0.183 183 N C 1.911 177.391 175.510 -0.050 0.000 1.017 183 N CA 1.186 54.202 53.050 -0.056 0.000 0.861 183 N CB -0.591 37.863 38.487 -0.054 0.000 0.986 183 N HN 0.392 nan 8.380 nan 0.000 0.428 184 c N 0.402 118.916 118.600 -0.145 0.000 2.446 184 c HA -0.008 4.579 4.570 0.029 0.000 0.279 184 c C 2.325 176.372 174.090 -0.071 0.000 1.366 184 c CA 0.124 56.394 56.329 -0.098 0.000 1.763 184 c CB -1.258 41.196 42.510 -0.092 0.000 1.929 184 c HN 0.311 nan 8.230 nan 0.000 0.509 185 Y N 1.418 121.731 120.300 0.023 0.000 2.133 185 Y HA 0.066 4.633 4.550 0.029 0.000 0.287 185 Y C 2.725 178.639 175.900 0.024 0.000 1.134 185 Y CA 1.600 59.706 58.100 0.010 0.000 1.133 185 Y CB -1.234 37.182 38.460 -0.074 0.000 0.987 185 Y HN 0.296 nan 8.280 nan 0.000 0.502 186 A N -0.348 122.575 122.820 0.171 0.000 2.209 186 A HA -0.048 4.289 4.320 0.029 0.000 0.212 186 A C 0.665 178.313 177.584 0.108 0.000 1.158 186 A CA 0.526 52.631 52.037 0.114 0.000 0.742 186 A CB -0.630 18.416 19.000 0.076 0.000 0.790 186 A HN 0.236 nan 8.150 nan 0.000 0.472 187 E N 0.375 120.642 120.200 0.111 0.000 2.174 187 E HA 0.268 4.635 4.350 0.029 0.000 0.282 187 E C 0.460 177.157 176.600 0.162 0.000 0.992 187 E CA -0.275 56.195 56.400 0.116 0.000 0.803 187 E CB 0.622 30.380 29.700 0.097 0.000 1.090 187 E HN 0.354 nan 8.360 nan 0.000 0.396 188 E N 1.924 122.227 120.200 0.173 0.000 2.347 188 E HA -0.085 4.282 4.350 0.029 0.000 0.196 188 E C 0.607 177.384 176.600 0.296 0.000 1.008 188 E CA 1.321 57.860 56.400 0.232 0.000 0.852 188 E CB 0.272 30.090 29.700 0.195 0.000 0.783 188 E HN 0.682 nan 8.360 nan 0.000 0.505 189 T N -2.717 111.979 114.554 0.237 0.000 3.069 189 T HA 0.117 4.484 4.350 0.029 0.000 0.252 189 T C 0.526 175.405 174.700 0.299 0.000 1.053 189 T CA -0.466 61.791 62.100 0.262 0.000 0.964 189 T CB -0.073 68.888 68.868 0.155 0.000 1.005 189 T HN -0.018 nan 8.240 nan 0.000 0.532 190 c N 1.060 119.809 118.600 0.249 0.000 2.281 190 c HA 0.726 5.314 4.570 0.029 0.000 0.325 190 c C 1.060 175.242 174.090 0.152 0.000 1.282 190 c CA -0.896 55.565 56.329 0.220 0.000 1.640 190 c CB -0.186 42.415 42.510 0.152 0.000 2.288 190 c HN 0.684 nan 8.230 nan 0.000 0.507 191 c N 5.531 124.198 118.600 0.111 0.000 3.098 191 c HA 0.318 4.905 4.570 0.029 0.000 0.265 191 c C 0.276 174.301 174.090 -0.107 0.000 1.572 191 c CA -0.398 55.800 56.329 -0.218 0.000 1.788 191 c CB -1.739 40.177 42.510 -0.990 0.000 2.982 191 c HN 0.902 nan 8.230 nan 0.000 0.532 192 D N 1.379 121.818 120.400 0.065 0.000 2.458 192 D HA 0.025 4.682 4.640 0.029 0.000 0.243 192 D C -0.259 175.988 176.300 -0.089 0.000 1.146 192 D CA 0.523 54.519 54.000 -0.007 0.000 0.877 192 D CB 0.493 41.266 40.800 -0.046 0.000 1.176 192 D HN 0.347 nan 8.370 nan 0.000 0.461 193 F N 3.736 123.499 119.950 -0.312 0.000 2.462 193 F HA 0.199 4.743 4.527 0.029 0.000 0.360 193 F C -0.837 174.711 175.800 -0.419 0.000 1.134 193 F CA -0.618 57.242 58.000 -0.233 0.000 1.148 193 F CB -0.372 38.566 39.000 -0.102 0.000 1.147 193 F HN 0.077 nan 8.300 nan 0.000 0.550 194 F N 3.329 123.160 119.950 -0.198 0.000 2.467 194 F HA 0.515 5.059 4.527 0.029 0.000 0.336 194 F C 0.183 175.864 175.800 -0.199 0.000 1.123 194 F CA -0.608 57.265 58.000 -0.211 0.000 0.964 194 F CB 1.978 40.866 39.000 -0.187 0.000 1.136 194 F HN 0.426 nan 8.300 nan 0.000 0.447 195 T N -0.181 114.363 114.554 -0.016 0.000 2.903 195 T HA 0.523 4.890 4.350 0.029 0.000 0.299 195 T C -0.718 174.054 174.700 0.119 0.000 1.093 195 T CA -1.212 60.879 62.100 -0.016 0.000 1.002 195 T CB 1.541 70.302 68.868 -0.179 0.000 1.127 195 T HN 0.499 nan 8.240 nan 0.000 0.488 196 N N 1.600 120.369 118.700 0.116 0.000 2.444 196 N HA 0.150 4.908 4.740 0.029 0.000 0.255 196 N C 1.238 176.857 175.510 0.181 0.000 1.255 196 N CA -0.509 52.624 53.050 0.139 0.000 0.933 196 N CB 0.377 38.923 38.487 0.098 0.000 1.143 196 N HN 0.773 nan 8.380 nan 0.000 0.453 197 Q N 0.651 120.530 119.800 0.130 0.000 2.077 197 Q HA -0.241 4.117 4.340 0.029 0.000 0.206 197 Q C 1.869 177.945 176.000 0.127 0.000 0.989 197 Q CA 2.087 57.956 55.803 0.110 0.000 0.853 197 Q CB -0.533 28.239 28.738 0.057 0.000 0.907 197 Q HN 0.837 nan 8.270 nan 0.000 0.418 198 A N 0.704 123.597 122.820 0.122 0.000 1.933 198 A HA -0.219 4.118 4.320 0.029 0.000 0.218 198 A C 1.975 179.650 177.584 0.150 0.000 1.175 198 A CA 1.448 53.551 52.037 0.109 0.000 0.628 198 A CB -0.872 18.179 19.000 0.085 0.000 0.814 198 A HN 0.532 nan 8.150 nan 0.000 0.444 199 Y N 0.598 120.960 120.300 0.103 0.000 2.114 199 Y HA -0.076 4.492 4.550 0.029 0.000 0.284 199 Y C 2.624 178.613 175.900 0.148 0.000 1.143 199 Y CA 1.440 59.626 58.100 0.142 0.000 1.135 199 Y CB -0.601 37.969 38.460 0.183 0.000 0.980 199 Y HN 0.310 nan 8.280 nan 0.000 0.499 200 A N 1.109 124.084 122.820 0.257 0.000 1.903 200 A HA -0.249 4.089 4.320 0.029 0.000 0.219 200 A C 2.150 179.775 177.584 0.067 0.000 1.191 200 A CA 2.372 54.508 52.037 0.165 0.000 0.638 200 A CB -1.062 18.067 19.000 0.213 0.000 0.823 200 A HN 0.562 nan 8.150 nan 0.000 0.451 201 I N -0.457 120.158 120.570 0.074 0.000 2.163 201 I HA -0.182 4.006 4.170 0.029 0.000 0.240 201 I C 2.986 179.130 176.117 0.044 0.000 1.081 201 I CA 1.485 62.831 61.300 0.076 0.000 1.353 201 I CB -1.796 36.240 38.000 0.060 0.000 1.054 201 I HN 0.362 nan 8.210 nan 0.000 0.407 202 A N 0.250 123.066 122.820 -0.006 0.000 1.902 202 A HA -0.212 4.125 4.320 0.029 0.000 0.217 202 A C 2.638 180.184 177.584 -0.062 0.000 1.181 202 A CA 2.220 54.247 52.037 -0.018 0.000 0.623 202 A CB -0.840 18.156 19.000 -0.007 0.000 0.818 202 A HN 0.441 nan 8.150 nan 0.000 0.443 203 S N -0.679 114.881 115.700 -0.233 0.000 2.355 203 S HA -0.124 4.363 4.470 0.029 0.000 0.222 203 S C 2.268 176.853 174.600 -0.025 0.000 1.031 203 S CA 1.880 59.925 58.200 -0.259 0.000 0.993 203 S CB -0.458 62.305 63.200 -0.728 0.000 0.859 203 S HN 0.530 nan 8.310 nan 0.000 0.453 204 S N 1.148 116.891 115.700 0.071 0.000 2.353 204 S HA -0.075 4.412 4.470 0.029 0.000 0.222 204 S C 1.744 176.490 174.600 0.242 0.000 1.035 204 S CA 1.646 59.983 58.200 0.229 0.000 1.025 204 S CB -0.548 62.887 63.200 0.393 0.000 0.902 204 S HN 0.462 nan 8.310 nan 0.000 0.440 205 I N 1.088 121.818 120.570 0.267 0.000 2.127 205 I HA -0.144 4.043 4.170 0.029 0.000 0.241 205 I C 2.214 178.428 176.117 0.161 0.000 1.075 205 I CA 1.129 62.584 61.300 0.258 0.000 1.334 205 I CB -0.648 37.437 38.000 0.141 0.000 1.040 205 I HN 0.111 nan 8.210 nan 0.000 0.405 206 V N -0.492 119.498 119.914 0.127 0.000 2.379 206 V HA -0.205 3.932 4.120 0.029 0.000 0.245 206 V C 2.370 178.603 176.094 0.233 0.000 1.044 206 V CA 2.010 64.406 62.300 0.159 0.000 1.036 206 V CB -0.672 31.207 31.823 0.093 0.000 0.664 206 V HN 0.387 nan 8.190 nan 0.000 0.453 207 S N -1.055 114.726 115.700 0.136 0.000 2.387 207 S HA -0.022 4.465 4.470 0.029 0.000 0.226 207 S C 1.567 176.207 174.600 0.066 0.000 1.026 207 S CA 1.630 59.907 58.200 0.128 0.000 0.972 207 S CB -0.112 63.121 63.200 0.056 0.000 0.814 207 S HN 0.605 nan 8.310 nan 0.000 0.477 208 F N -0.764 119.009 119.950 -0.295 0.000 2.421 208 F HA 0.328 4.873 4.527 0.029 0.000 0.270 208 F C 1.417 176.936 175.800 -0.468 0.000 0.894 208 F CA -0.318 57.327 58.000 -0.592 0.000 1.128 208 F CB -0.229 37.977 39.000 -1.324 0.000 1.011 208 F HN -0.036 nan 8.300 nan 0.000 0.788 209 Y N 0.546 120.715 120.300 -0.219 0.000 2.181 209 Y HA -0.151 4.416 4.550 0.029 0.000 0.288 209 Y C 2.499 178.223 175.900 -0.294 0.000 1.146 209 Y CA 1.889 59.842 58.100 -0.246 0.000 1.164 209 Y CB -1.086 37.346 38.460 -0.047 0.000 0.982 209 Y HN -0.076 nan 8.280 nan 0.000 0.515 210 V N 1.454 121.322 119.914 -0.077 0.000 2.237 210 V HA -0.228 3.909 4.120 0.029 0.000 0.245 210 V C -0.264 175.593 176.094 -0.395 0.000 1.046 210 V CA 2.451 64.661 62.300 -0.149 0.000 1.007 210 V CB -1.717 30.098 31.823 -0.014 0.000 0.638 210 V HN 0.288 nan 8.190 nan 0.000 0.445 211 P HA -0.127 nan 4.420 nan 0.000 0.219 211 P C 1.978 178.859 177.300 -0.698 0.000 1.150 211 P CA 1.210 63.702 63.100 -1.012 0.000 0.814 211 P CB -0.040 30.669 31.700 -1.651 0.000 0.787 212 L N 0.155 120.951 121.223 -0.711 0.000 2.012 212 L HA -0.126 4.232 4.340 0.029 0.000 0.210 212 L C 2.348 179.014 176.870 -0.339 0.000 1.073 212 L CA 1.895 56.367 54.840 -0.613 0.000 0.748 212 L CB -1.323 40.170 42.059 -0.944 0.000 0.891 212 L HN -0.239 nan 8.230 nan 0.000 0.431 213 V N -0.038 119.716 119.914 -0.267 0.000 2.307 213 V HA -0.278 3.859 4.120 0.029 0.000 0.245 213 V C 2.530 178.566 176.094 -0.098 0.000 1.045 213 V CA 2.195 64.422 62.300 -0.122 0.000 1.024 213 V CB -0.425 31.351 31.823 -0.078 0.000 0.651 213 V HN 0.458 nan 8.190 nan 0.000 0.449 214 I N -0.480 119.978 120.570 -0.187 0.000 2.208 214 I HA -0.357 3.830 4.170 0.029 0.000 0.245 214 I C 2.526 178.578 176.117 -0.108 0.000 1.097 214 I CA 2.188 63.391 61.300 -0.162 0.000 1.363 214 I CB -0.327 37.525 38.000 -0.247 0.000 1.051 214 I HN 0.366 nan 8.210 nan 0.000 0.413 215 M N 0.624 120.109 119.600 -0.191 0.000 2.065 215 M HA -0.223 4.274 4.480 0.029 0.000 0.259 215 M C 2.303 178.578 176.300 -0.042 0.000 1.069 215 M CA 2.067 57.278 55.300 -0.149 0.000 1.110 215 M CB -0.093 32.358 32.600 -0.249 0.000 1.328 215 M HN 0.020 nan 8.290 nan 0.000 0.405 216 V N 0.277 120.169 119.914 -0.037 0.000 2.358 216 V HA -0.258 3.879 4.120 0.029 0.000 0.246 216 V C 2.167 178.288 176.094 0.046 0.000 1.047 216 V CA 1.972 64.281 62.300 0.016 0.000 1.035 216 V CB -1.016 30.816 31.823 0.016 0.000 0.658 216 V HN 0.553 nan 8.190 nan 0.000 0.452 217 F N 0.702 120.616 119.950 -0.062 0.000 2.051 217 F HA -0.189 4.355 4.527 0.028 0.000 0.296 217 F C 2.293 178.050 175.800 -0.072 0.000 1.122 217 F CA 2.067 60.030 58.000 -0.063 0.000 1.201 217 F CB -0.411 38.536 39.000 -0.089 0.000 0.978 217 F HN -0.066 nan 8.300 nan 0.000 0.472 218 V N -0.769 119.262 119.914 0.196 0.000 2.287 218 V HA -0.341 3.796 4.120 0.029 0.000 0.248 218 V C 2.058 178.155 176.094 0.004 0.000 1.053 218 V CA 2.265 64.601 62.300 0.059 0.000 1.027 218 V CB -1.049 30.762 31.823 -0.020 0.000 0.646 218 V HN 0.463 nan 8.190 nan 0.000 0.447 219 Y N 1.523 121.754 120.300 -0.115 0.000 2.314 219 Y HA -0.185 4.382 4.550 0.029 0.000 0.293 219 Y C 2.823 178.548 175.900 -0.292 0.000 1.129 219 Y CA 1.350 59.320 58.100 -0.218 0.000 1.201 219 Y CB -0.211 38.096 38.460 -0.256 0.000 0.999 219 Y HN 0.412 nan 8.280 nan 0.000 0.541 220 S N -0.476 115.173 115.700 -0.085 0.000 2.442 220 S HA -0.151 4.336 4.470 0.029 0.000 0.236 220 S C 1.975 176.524 174.600 -0.085 0.000 1.007 220 S CA 0.749 58.924 58.200 -0.041 0.000 0.965 220 S CB -0.268 62.911 63.200 -0.035 0.000 0.773 220 S HN 0.337 nan 8.310 nan 0.000 0.504 221 R N 0.682 121.096 120.500 -0.143 0.000 2.161 221 R HA 0.189 4.546 4.340 0.029 0.000 0.213 221 R C 2.181 178.434 176.300 -0.078 0.000 1.055 221 R CA 0.862 56.915 56.100 -0.079 0.000 0.996 221 R CB -0.818 29.470 30.300 -0.020 0.000 0.901 221 R HN 0.448 nan 8.270 nan 0.000 0.456 222 V N 0.698 120.477 119.914 -0.225 0.000 2.515 222 V HA -0.196 3.941 4.120 0.029 0.000 0.250 222 V C 1.986 177.905 176.094 -0.291 0.000 1.058 222 V CA 1.400 63.481 62.300 -0.366 0.000 1.064 222 V CB -0.589 30.792 31.823 -0.736 0.000 0.675 222 V HN 0.054 nan 8.190 nan 0.000 0.461 223 F N 0.375 120.167 119.950 -0.263 0.000 2.206 223 F HA -0.083 4.461 4.527 0.027 0.000 0.298 223 F C 2.530 178.246 175.800 -0.139 0.000 1.090 223 F CA 1.176 59.076 58.000 -0.167 0.000 1.323 223 F CB -0.842 38.126 39.000 -0.054 0.000 1.028 223 F HN 0.157 nan 8.300 nan 0.000 0.492 224 Q N -0.288 119.558 119.800 0.076 0.000 2.172 224 Q HA -0.140 4.218 4.340 0.029 0.000 0.200 224 Q C 2.116 178.109 176.000 -0.012 0.000 0.964 224 Q CA 0.910 56.726 55.803 0.022 0.000 0.855 224 Q CB 0.081 28.821 28.738 0.004 0.000 0.918 224 Q HN 0.193 nan 8.270 nan 0.000 0.444 225 E N 0.150 120.321 120.200 -0.049 0.000 2.047 225 E HA -0.156 4.211 4.350 0.029 0.000 0.191 225 E C 1.854 178.404 176.600 -0.083 0.000 0.987 225 E CA 1.127 57.474 56.400 -0.089 0.000 0.799 225 E CB -0.267 29.333 29.700 -0.166 0.000 0.752 225 E HN 0.371 nan 8.360 nan 0.000 0.449 226 A N 1.760 124.528 122.820 -0.087 0.000 1.851 226 A HA -0.250 4.088 4.320 0.029 0.000 0.216 226 A C 2.196 179.768 177.584 -0.020 0.000 1.195 226 A CA 2.140 54.120 52.037 -0.095 0.000 0.622 226 A CB -0.555 18.237 19.000 -0.347 0.000 0.831 226 A HN 0.208 nan 8.150 nan 0.000 0.444 227 K N -0.607 119.771 120.400 -0.037 0.000 2.001 227 K HA -0.237 4.100 4.320 0.029 0.000 0.214 227 K C 2.389 179.015 176.600 0.044 0.000 1.050 227 K CA 1.962 58.254 56.287 0.008 0.000 0.934 227 K CB -0.257 32.252 32.500 0.016 0.000 0.718 227 K HN 0.423 nan 8.250 nan 0.000 0.443 228 R N 0.497 121.027 120.500 0.051 0.000 2.115 228 R HA -0.093 4.264 4.340 0.029 0.000 0.230 228 R C 1.528 177.850 176.300 0.037 0.000 1.111 228 R CA 1.480 57.633 56.100 0.087 0.000 0.976 228 R CB 0.070 30.395 30.300 0.042 0.000 0.870 228 R HN 0.377 nan 8.270 nan 0.000 0.445 229 Q N 0.375 120.149 119.800 -0.043 0.000 2.322 229 Q HA 0.125 4.482 4.340 0.029 0.000 0.203 229 Q C 0.083 175.988 176.000 -0.159 0.000 0.923 229 Q CA -0.265 55.491 55.803 -0.079 0.000 0.949 229 Q CB 0.353 29.033 28.738 -0.097 0.000 1.039 229 Q HN 0.299 nan 8.270 nan 0.000 0.496 264 F N -1.044 118.983 119.950 0.128 0.000 3.034 264 F HA -0.345 4.199 4.527 0.028 0.000 0.286 264 F C 1.093 176.927 175.800 0.056 0.000 0.804 264 F CA 0.342 58.396 58.000 0.091 0.000 1.161 264 F CB -2.575 36.437 39.000 0.020 0.000 1.317 264 F HN 0.620 nan 8.300 nan 0.000 0.453 265 C N -1.093 118.290 119.300 0.138 0.000 2.518 265 C HA 0.309 4.786 4.460 0.029 0.000 0.283 265 C C 1.650 176.646 174.990 0.009 0.000 1.351 265 C CA -0.007 59.050 59.018 0.065 0.000 1.745 265 C CB -0.527 27.245 27.740 0.053 0.000 2.107 265 C HN 0.347 nan 8.230 nan 0.000 0.502 266 L N 1.585 122.753 121.223 -0.092 0.000 2.452 266 L HA 0.134 4.492 4.340 0.029 0.000 0.267 266 L C 1.584 178.410 176.870 -0.074 0.000 1.188 266 L CA 0.603 55.338 54.840 -0.175 0.000 0.821 266 L CB 0.130 41.904 42.059 -0.475 0.000 1.102 266 L HN 0.127 nan 8.230 nan 0.000 0.470 267 K N 1.298 121.643 120.400 -0.091 0.000 2.026 267 K HA -0.177 4.161 4.320 0.029 0.000 0.208 267 K C 1.258 177.834 176.600 -0.040 0.000 1.048 267 K CA 2.116 58.376 56.287 -0.045 0.000 0.929 267 K CB 0.174 32.642 32.500 -0.054 0.000 0.713 267 K HN 0.774 nan 8.250 nan 0.000 0.439 268 E N -0.633 119.467 120.200 -0.165 0.000 2.418 268 E HA -0.091 4.276 4.350 0.029 0.000 0.197 268 E C 1.576 178.125 176.600 -0.085 0.000 1.026 268 E CA 0.759 57.023 56.400 -0.226 0.000 0.862 268 E CB -0.042 29.260 29.700 -0.662 0.000 0.799 268 E HN 0.478 nan 8.360 nan 0.000 0.518 269 H N 0.048 119.006 119.070 -0.187 0.000 2.448 269 H HA 0.114 4.688 4.556 0.029 0.000 0.292 269 H C 1.499 176.964 175.328 0.227 0.000 1.035 269 H CA 0.690 56.763 56.048 0.042 0.000 1.349 269 H CB 0.405 30.169 29.762 0.004 0.000 1.425 269 H HN 0.057 nan 8.280 nan 0.000 0.539 270 K N 0.773 121.331 120.400 0.262 0.000 2.062 270 K HA -0.014 4.323 4.320 0.029 0.000 0.205 270 K C 2.440 179.150 176.600 0.184 0.000 1.051 270 K CA 0.790 57.199 56.287 0.204 0.000 0.941 270 K CB 0.054 32.629 32.500 0.124 0.000 0.719 270 K HN 0.106 nan 8.250 nan 0.000 0.440 271 A N 1.574 124.490 122.820 0.160 0.000 1.940 271 A HA -0.158 4.180 4.320 0.029 0.000 0.219 271 A C 2.121 179.847 177.584 0.237 0.000 1.176 271 A CA 1.338 53.481 52.037 0.176 0.000 0.631 271 A CB -0.654 18.427 19.000 0.135 0.000 0.814 271 A HN 0.164 nan 8.150 nan 0.000 0.446 272 L N -0.929 120.458 121.223 0.273 0.000 2.056 272 L HA -0.171 4.186 4.340 0.029 0.000 0.207 272 L C 2.639 179.823 176.870 0.523 0.000 1.078 272 L CA 1.852 56.925 54.840 0.389 0.000 0.749 272 L CB -0.334 41.934 42.059 0.348 0.000 0.901 272 L HN 0.467 nan 8.230 nan 0.000 0.433 273 K N -0.446 120.225 120.400 0.451 0.000 2.057 273 K HA -0.167 4.170 4.320 0.029 0.000 0.207 273 K C 1.997 178.709 176.600 0.186 0.000 1.049 273 K CA 1.814 58.273 56.287 0.287 0.000 0.931 273 K CB -0.033 32.347 32.500 -0.200 0.000 0.714 273 K HN 0.191 nan 8.250 nan 0.000 0.440 274 T N 2.108 116.755 114.554 0.156 0.000 2.652 274 T HA -0.164 4.204 4.350 0.029 0.000 0.267 274 T C 1.752 176.533 174.700 0.135 0.000 1.039 274 T CA 1.524 63.700 62.100 0.126 0.000 1.153 274 T CB -0.212 68.754 68.868 0.163 0.000 0.863 274 T HN 0.181 nan 8.240 nan 0.000 0.428 275 L N 0.617 121.950 121.223 0.184 0.000 2.127 275 L HA -0.080 4.277 4.340 0.029 0.000 0.211 275 L C 2.954 179.786 176.870 -0.063 0.000 1.089 275 L CA 1.359 56.258 54.840 0.099 0.000 0.757 275 L CB -0.997 41.160 42.059 0.163 0.000 0.899 275 L HN 0.395 nan 8.230 nan 0.000 0.434 276 G N 0.081 108.950 108.800 0.115 0.000 2.422 276 G HA2 -0.183 3.794 3.960 0.029 0.000 0.218 276 G HA3 -0.183 3.794 3.960 0.029 0.000 0.218 276 G C 1.575 176.524 174.900 0.083 0.000 1.140 276 G CA 0.443 45.630 45.100 0.144 0.000 0.775 276 G HN 0.302 nan 8.290 nan 0.000 0.545 277 I N 0.952 121.564 120.570 0.070 0.000 2.406 277 I HA -0.053 4.134 4.170 0.029 0.000 0.249 277 I C 2.606 178.727 176.117 0.007 0.000 1.122 277 I CA 0.665 61.980 61.300 0.024 0.000 1.431 277 I CB -0.183 37.811 38.000 -0.010 0.000 1.087 277 I HN 0.275 nan 8.210 nan 0.000 0.424 278 I N -0.882 119.684 120.570 -0.008 0.000 2.226 278 I HA -0.253 3.935 4.170 0.029 0.000 0.245 278 I C 2.412 178.557 176.117 0.047 0.000 1.100 278 I CA 1.755 63.058 61.300 0.004 0.000 1.374 278 I CB -0.780 37.211 38.000 -0.015 0.000 1.057 278 I HN 0.072 nan 8.210 nan 0.000 0.413 279 M N 1.323 120.903 119.600 -0.034 0.000 2.080 279 M HA -0.074 4.423 4.480 0.029 0.000 0.260 279 M C 2.396 178.734 176.300 0.063 0.000 1.068 279 M CA 2.172 57.439 55.300 -0.056 0.000 1.109 279 M CB -1.052 31.402 32.600 -0.244 0.000 1.342 279 M HN 0.551 nan 8.290 nan 0.000 0.405 280 G N -0.858 107.976 108.800 0.058 0.000 2.422 280 G HA2 -0.165 3.812 3.960 0.029 0.000 0.218 280 G HA3 -0.165 3.812 3.960 0.029 0.000 0.218 280 G C 1.452 176.426 174.900 0.123 0.000 1.140 280 G CA 1.392 46.549 45.100 0.095 0.000 0.775 280 G HN 0.378 nan 8.290 nan 0.000 0.545 281 T N 0.577 115.203 114.554 0.121 0.000 2.737 281 T HA -0.076 4.292 4.350 0.029 0.000 0.265 281 T C 1.920 176.751 174.700 0.220 0.000 1.038 281 T CA 0.920 63.094 62.100 0.124 0.000 1.144 281 T CB -0.296 68.627 68.868 0.091 0.000 0.866 281 T HN 0.235 nan 8.240 nan 0.000 0.434 282 F N 2.136 122.180 119.950 0.157 0.000 2.161 282 F HA -0.195 4.349 4.527 0.029 0.000 0.300 282 F C 2.377 178.385 175.800 0.346 0.000 1.089 282 F CA 1.392 59.559 58.000 0.279 0.000 1.282 282 F CB -0.710 38.424 39.000 0.225 0.000 1.010 282 F HN 0.086 nan 8.300 nan 0.000 0.485 283 T N 1.237 116.061 114.554 0.451 0.000 2.674 283 T HA -0.212 4.155 4.350 0.029 0.000 0.265 283 T C 2.071 176.918 174.700 0.245 0.000 1.039 283 T CA 1.914 64.235 62.100 0.369 0.000 1.150 283 T CB -0.668 68.346 68.868 0.243 0.000 0.864 283 T HN 0.238 nan 8.240 nan 0.000 0.427 284 L N 0.288 121.606 121.223 0.158 0.000 2.191 284 L HA -0.080 4.277 4.340 0.029 0.000 0.212 284 L C 2.741 179.628 176.870 0.029 0.000 1.103 284 L CA 0.737 55.631 54.840 0.091 0.000 0.769 284 L CB -0.515 41.579 42.059 0.058 0.000 0.908 284 L HN 0.398 nan 8.230 nan 0.000 0.438 285 C N -1.807 117.477 119.300 -0.027 0.000 2.475 285 C HA -0.101 4.376 4.460 0.029 0.000 0.279 285 C C 2.302 177.030 174.990 -0.437 0.000 1.322 285 C CA 0.230 59.101 59.018 -0.244 0.000 1.734 285 C CB -0.856 26.683 27.740 -0.335 0.000 2.005 285 C HN 0.674 nan 8.230 nan 0.000 0.495 286 W N -0.741 120.423 121.300 -0.227 0.000 2.735 286 W HA 0.250 4.927 4.660 0.028 0.000 0.264 286 W C 2.124 178.633 176.519 -0.016 0.000 1.233 286 W CA -0.357 56.845 57.345 -0.238 0.000 1.408 286 W CB -0.668 28.487 29.460 -0.508 0.000 1.038 286 W HN 0.017 nan 8.180 nan 0.000 0.603 287 L N 1.836 123.224 121.223 0.275 0.000 2.051 287 L HA -0.157 4.201 4.340 0.029 0.000 0.214 287 L C -0.728 176.285 176.870 0.238 0.000 1.076 287 L CA 2.329 57.356 54.840 0.313 0.000 0.758 287 L CB -1.715 40.532 42.059 0.314 0.000 0.890 287 L HN -0.219 nan 8.230 nan 0.000 0.433 288 P HA -0.235 nan 4.420 nan 0.000 0.214 288 P C 1.770 179.126 177.300 0.094 0.000 1.163 288 P CA 1.588 64.754 63.100 0.109 0.000 0.883 288 P CB -0.304 31.431 31.700 0.059 0.000 0.788 289 F N -0.826 119.062 119.950 -0.102 0.000 2.120 289 F HA -0.224 4.320 4.527 0.029 0.000 0.300 289 F C 1.920 177.574 175.800 -0.243 0.000 1.095 289 F CA 1.617 59.471 58.000 -0.244 0.000 1.249 289 F CB -0.763 37.989 39.000 -0.413 0.000 0.995 289 F HN -0.227 nan 8.300 nan 0.000 0.480 290 F N 0.098 119.994 119.950 -0.091 0.000 2.293 290 F HA -0.027 4.518 4.527 0.029 0.000 0.297 290 F C 2.205 178.015 175.800 0.016 0.000 1.089 290 F CA 1.021 58.903 58.000 -0.196 0.000 1.377 290 F CB -0.480 38.283 39.000 -0.394 0.000 1.051 290 F HN -0.056 nan 8.300 nan 0.000 0.511 291 I N -0.864 119.870 120.570 0.272 0.000 2.163 291 I HA -0.265 3.922 4.170 0.029 0.000 0.240 291 I C 2.271 178.466 176.117 0.129 0.000 1.081 291 I CA 1.004 62.463 61.300 0.265 0.000 1.353 291 I CB -0.540 37.595 38.000 0.225 0.000 1.054 291 I HN -0.148 nan 8.210 nan 0.000 0.407 292 V N 1.130 121.069 119.914 0.043 0.000 2.469 292 V HA -0.309 3.829 4.120 0.029 0.000 0.251 292 V C 2.123 178.212 176.094 -0.008 0.000 1.064 292 V CA 2.106 64.412 62.300 0.010 0.000 1.066 292 V CB -0.961 30.849 31.823 -0.022 0.000 0.667 292 V HN 0.455 nan 8.190 nan 0.000 0.461 293 N N -0.157 118.461 118.700 -0.136 0.000 2.120 293 N HA -0.122 4.635 4.740 0.029 0.000 0.188 293 N C 1.444 177.008 175.510 0.089 0.000 1.024 293 N CA 1.350 54.341 53.050 -0.099 0.000 0.852 293 N CB -0.197 38.088 38.487 -0.337 0.000 1.003 293 N HN 0.378 nan 8.380 nan 0.000 0.424 294 I N -0.540 120.108 120.570 0.130 0.000 2.439 294 I HA -0.101 4.086 4.170 0.029 0.000 0.251 294 I C 1.807 177.985 176.117 0.102 0.000 1.139 294 I CA 0.550 61.937 61.300 0.144 0.000 1.438 294 I CB -0.144 37.960 38.000 0.173 0.000 1.085 294 I HN -0.038 nan 8.210 nan 0.000 0.427 295 V N 0.107 120.081 119.914 0.100 0.000 3.041 295 V HA -0.235 3.903 4.120 0.029 0.000 0.260 295 V C 2.421 178.571 176.094 0.094 0.000 1.105 295 V CA 1.460 63.808 62.300 0.079 0.000 1.125 295 V CB -0.952 30.915 31.823 0.074 0.000 0.730 295 V HN 0.550 nan 8.190 nan 0.000 0.479 296 H N -0.061 119.023 119.070 0.024 0.000 2.389 296 H HA -0.091 4.483 4.556 0.029 0.000 0.299 296 H C 2.135 177.474 175.328 0.019 0.000 1.081 296 H CA 1.906 57.965 56.048 0.018 0.000 1.345 296 H CB 0.396 30.164 29.762 0.010 0.000 1.393 296 H HN 0.318 nan 8.280 nan 0.000 0.520 297 V N 1.119 121.019 119.914 -0.024 0.000 2.548 297 V HA -0.197 3.941 4.120 0.029 0.000 0.249 297 V C 2.678 178.732 176.094 -0.067 0.000 1.055 297 V CA 1.335 63.596 62.300 -0.065 0.000 1.065 297 V CB -0.336 31.512 31.823 0.041 0.000 0.681 297 V HN 0.355 nan 8.190 nan 0.000 0.462 298 I N -1.066 119.485 120.570 -0.032 0.000 2.333 298 I HA -0.054 4.134 4.170 0.029 0.000 0.246 298 I C 0.922 177.012 176.117 -0.045 0.000 1.106 298 I CA 1.008 62.292 61.300 -0.027 0.000 1.411 298 I CB 0.077 38.075 38.000 -0.004 0.000 1.082 298 I HN 0.292 nan 8.210 nan 0.000 0.420 299 Q N 1.084 120.855 119.800 -0.049 0.000 2.454 299 Q HA 0.142 4.499 4.340 0.029 0.000 0.255 299 Q C -0.414 175.533 176.000 -0.088 0.000 1.034 299 Q CA -0.215 55.560 55.803 -0.047 0.000 0.736 299 Q CB 1.637 30.371 28.738 -0.006 0.000 1.210 299 Q HN 0.166 nan 8.270 nan 0.000 0.500 300 D N 1.298 121.613 120.400 -0.143 0.000 2.158 300 D HA -0.182 4.475 4.640 0.029 0.000 0.197 300 D C 1.353 177.619 176.300 -0.058 0.000 0.995 300 D CA 1.464 55.328 54.000 -0.226 0.000 0.846 300 D CB 0.287 40.983 40.800 -0.174 0.000 0.941 300 D HN 0.558 nan 8.370 nan 0.000 0.456 301 N N 0.186 118.884 118.700 -0.004 0.000 2.299 301 N HA -0.029 4.728 4.740 0.029 0.000 0.187 301 N C 1.701 177.251 175.510 0.067 0.000 1.099 301 N CA 0.022 53.097 53.050 0.041 0.000 0.867 301 N CB -0.323 38.173 38.487 0.016 0.000 0.974 301 N HN 0.227 nan 8.380 nan 0.000 0.477 302 L N 0.186 121.453 121.223 0.074 0.000 2.217 302 L HA 0.095 4.453 4.340 0.029 0.000 0.211 302 L C 0.138 177.065 176.870 0.095 0.000 1.107 302 L CA 0.700 55.584 54.840 0.074 0.000 0.783 302 L CB -0.057 42.040 42.059 0.063 0.000 0.919 302 L HN 0.072 nan 8.230 nan 0.000 0.442 303 I N 0.585 121.244 120.570 0.148 0.000 2.371 303 I HA 0.246 4.433 4.170 0.029 0.000 0.282 303 I C 0.349 176.508 176.117 0.070 0.000 1.031 303 I CA -0.331 61.037 61.300 0.114 0.000 1.180 303 I CB 0.719 38.788 38.000 0.115 0.000 1.336 303 I HN 0.098 nan 8.210 nan 0.000 0.467 304 R N 3.456 123.993 120.500 0.062 0.000 2.726 304 R HA 0.177 4.535 4.340 0.029 0.000 0.272 304 R C 1.405 177.734 176.300 0.049 0.000 1.097 304 R CA -0.497 55.635 56.100 0.053 0.000 1.198 304 R CB 1.400 31.733 30.300 0.056 0.000 1.114 304 R HN 0.461 nan 8.270 nan 0.000 0.550 305 K N 1.415 121.844 120.400 0.048 0.000 2.009 305 K HA -0.268 4.069 4.320 0.029 0.000 0.210 305 K C 1.753 178.436 176.600 0.138 0.000 1.049 305 K CA 2.090 58.420 56.287 0.072 0.000 0.929 305 K CB -0.035 32.507 32.500 0.070 0.000 0.714 305 K HN 0.496 nan 8.250 nan 0.000 0.440 306 E N 0.068 120.332 120.200 0.106 0.000 2.114 306 E HA -0.201 4.166 4.350 0.029 0.000 0.199 306 E C 1.753 178.423 176.600 0.117 0.000 1.008 306 E CA 1.887 58.350 56.400 0.104 0.000 0.810 306 E CB -0.008 29.733 29.700 0.069 0.000 0.739 306 E HN 0.223 nan 8.360 nan 0.000 0.456 307 V N -0.179 119.803 119.914 0.113 0.000 2.323 307 V HA -0.214 3.924 4.120 0.029 0.000 0.244 307 V C 1.961 178.140 176.094 0.142 0.000 1.041 307 V CA 1.927 64.290 62.300 0.105 0.000 1.025 307 V CB -0.778 31.095 31.823 0.084 0.000 0.656 307 V HN 0.386 nan 8.190 nan 0.000 0.451 308 Y N 0.699 121.021 120.300 0.037 0.000 2.081 308 Y HA -0.279 4.288 4.550 0.029 0.000 0.280 308 Y C 2.333 178.335 175.900 0.171 0.000 1.163 308 Y CA 2.015 60.150 58.100 0.059 0.000 1.135 308 Y CB -0.219 38.229 38.460 -0.020 0.000 0.970 308 Y HN 0.130 nan 8.280 nan 0.000 0.498 309 I N -0.652 120.107 120.570 0.316 0.000 2.179 309 I HA -0.295 3.892 4.170 0.029 0.000 0.242 309 I C 2.341 178.612 176.117 0.257 0.000 1.088 309 I CA 1.338 62.824 61.300 0.311 0.000 1.357 309 I CB -0.488 37.725 38.000 0.355 0.000 1.051 309 I HN 0.353 nan 8.210 nan 0.000 0.409 310 L N 0.925 122.241 121.223 0.154 0.000 2.012 310 L HA -0.205 4.152 4.340 0.029 0.000 0.210 310 L C 2.272 179.177 176.870 0.058 0.000 1.073 310 L CA 1.903 56.804 54.840 0.102 0.000 0.748 310 L CB -0.629 41.467 42.059 0.062 0.000 0.891 310 L HN 0.133 nan 8.230 nan 0.000 0.431 311 L N -0.446 120.788 121.223 0.019 0.000 2.046 311 L HA -0.236 4.121 4.340 0.029 0.000 0.208 311 L C 2.399 179.116 176.870 -0.255 0.000 1.077 311 L CA 1.813 56.628 54.840 -0.042 0.000 0.747 311 L CB -0.788 41.300 42.059 0.050 0.000 0.896 311 L HN 0.520 nan 8.230 nan 0.000 0.432 312 N N -0.768 117.724 118.700 -0.347 0.000 2.272 312 N HA -0.232 4.525 4.740 0.029 0.000 0.185 312 N C 1.722 176.565 175.510 -1.111 0.000 1.014 312 N CA 1.017 53.431 53.050 -1.059 0.000 0.870 312 N CB -0.048 37.898 38.487 -0.902 0.000 0.975 312 N HN 0.275 nan 8.380 nan 0.000 0.433 313 W N 0.157 121.095 121.300 -0.603 0.000 2.863 313 W HA 0.234 4.911 4.660 0.029 0.000 0.258 313 W C 1.536 177.836 176.519 -0.364 0.000 1.298 313 W CA -0.259 56.868 57.345 -0.364 0.000 1.451 313 W CB 0.153 29.559 29.460 -0.090 0.000 1.107 313 W HN 0.075 nan 8.180 nan 0.000 0.641 314 I N -0.200 120.209 120.570 -0.267 0.000 2.353 314 I HA -0.111 4.076 4.170 0.029 0.000 0.248 314 I C 2.680 178.406 176.117 -0.652 0.000 1.119 314 I CA 1.769 62.882 61.300 -0.313 0.000 1.417 314 I CB -1.123 36.733 38.000 -0.240 0.000 1.078 314 I HN 0.004 nan 8.210 nan 0.000 0.421 315 G N -0.293 107.768 108.800 -1.233 0.000 2.440 315 G HA2 -0.273 3.704 3.960 0.029 0.000 0.218 315 G HA3 -0.273 3.704 3.960 0.029 0.000 0.218 315 G C 1.559 175.684 174.900 -1.292 0.000 1.154 315 G CA 0.711 44.406 45.100 -2.340 0.000 0.767 315 G HN 0.243 nan 8.290 nan 0.000 0.552 316 Y N 0.647 120.406 120.300 -0.900 0.000 2.145 316 Y HA -0.058 4.509 4.550 0.029 0.000 0.286 316 Y C 3.066 178.715 175.900 -0.419 0.000 1.145 316 Y CA 0.113 57.867 58.100 -0.576 0.000 1.148 316 Y CB -1.004 36.971 38.460 -0.809 0.000 0.981 316 Y HN 0.037 nan 8.280 nan 0.000 0.507 317 V N 0.731 120.504 119.914 -0.235 0.000 2.688 317 V HA -0.299 3.839 4.120 0.029 0.000 0.256 317 V C 2.091 177.762 176.094 -0.705 0.000 1.084 317 V CA 1.905 63.987 62.300 -0.363 0.000 1.103 317 V CB -0.848 30.839 31.823 -0.228 0.000 0.688 317 V HN 0.419 nan 8.190 nan 0.000 0.480 318 N N 0.174 118.601 118.700 -0.456 0.000 2.364 318 N HA -0.142 4.615 4.740 0.029 0.000 0.183 318 N C 1.752 177.186 175.510 -0.127 0.000 1.022 318 N CA 1.425 54.330 53.050 -0.242 0.000 0.883 318 N CB -0.142 38.280 38.487 -0.109 0.000 0.965 318 N HN 0.376 nan 8.380 nan 0.000 0.438 319 S N -1.687 113.941 115.700 -0.121 0.000 2.522 319 S HA 0.105 4.592 4.470 0.029 0.000 0.227 319 S C 1.539 176.107 174.600 -0.053 0.000 0.986 319 S CA 0.705 58.903 58.200 -0.005 0.000 0.929 319 S CB -0.005 63.211 63.200 0.026 0.000 0.769 319 S HN 0.588 nan 8.310 nan 0.000 0.529 320 G N -0.462 108.212 108.800 -0.210 0.000 2.833 320 G HA2 0.118 4.096 3.960 0.029 0.000 0.210 320 G HA3 0.118 4.096 3.960 0.029 0.000 0.210 320 G C 0.827 175.701 174.900 -0.043 0.000 1.139 320 G CA -0.131 44.883 45.100 -0.144 0.000 0.771 320 G HN 0.414 nan 8.290 nan 0.000 0.535 321 F N 2.037 121.987 119.950 0.002 0.000 2.206 321 F HA 0.038 4.582 4.527 0.029 0.000 0.298 321 F C 2.399 178.140 175.800 -0.098 0.000 1.090 321 F CA 0.153 58.133 58.000 -0.033 0.000 1.323 321 F CB -0.564 38.417 39.000 -0.031 0.000 1.028 321 F HN 0.071 nan 8.300 nan 0.000 0.492 322 N N 0.737 119.467 118.700 0.050 0.000 2.069 322 N HA -0.160 4.597 4.740 0.029 0.000 0.191 322 N C -0.691 174.522 175.510 -0.495 0.000 1.031 322 N CA 1.729 54.612 53.050 -0.278 0.000 0.852 322 N CB -1.800 36.590 38.487 -0.161 0.000 1.018 322 N HN 0.197 nan 8.380 nan 0.000 0.423 323 P HA -0.122 nan 4.420 nan 0.000 0.216 323 P C 1.842 179.225 177.300 0.138 0.000 1.153 323 P CA 0.728 63.927 63.100 0.165 0.000 0.858 323 P CB -0.074 31.673 31.700 0.078 0.000 0.789 324 L N -0.794 120.471 121.223 0.071 0.000 2.042 324 L HA -0.135 4.222 4.340 0.029 0.000 0.210 324 L C 2.143 179.047 176.870 0.057 0.000 1.076 324 L CA 1.807 56.704 54.840 0.094 0.000 0.749 324 L CB -1.057 41.063 42.059 0.102 0.000 0.893 324 L HN -0.121 nan 8.230 nan 0.000 0.432 325 I N -1.745 118.779 120.570 -0.076 0.000 2.546 325 I HA -0.260 3.927 4.170 0.029 0.000 0.255 325 I C 1.670 177.745 176.117 -0.070 0.000 1.163 325 I CA 0.637 61.864 61.300 -0.122 0.000 1.457 325 I CB -0.331 37.537 38.000 -0.219 0.000 1.092 325 I HN 0.234 nan 8.210 nan 0.000 0.434 326 Y N -0.238 120.085 120.300 0.038 0.000 2.509 326 Y HA -0.139 4.429 4.550 0.029 0.000 0.293 326 Y C 2.502 178.445 175.900 0.072 0.000 1.133 326 Y CA -0.026 58.028 58.100 -0.078 0.000 1.283 326 Y CB -1.280 36.957 38.460 -0.371 0.000 1.001 326 Y HN 0.223 nan 8.280 nan 0.000 0.555 327 C N -0.343 119.152 119.300 0.324 0.000 2.466 327 C HA -0.105 4.372 4.460 0.029 0.000 0.283 327 C C 2.608 177.701 174.990 0.171 0.000 1.472 327 C CA 0.412 59.599 59.018 0.281 0.000 1.765 327 C CB -1.284 26.627 27.740 0.284 0.000 1.724 327 C HN 0.493 nan 8.230 nan 0.000 0.560 328 R N 0.582 121.168 120.500 0.142 0.000 2.075 328 R HA -0.075 4.283 4.340 0.029 0.000 0.232 328 R C 1.390 177.764 176.300 0.124 0.000 1.126 328 R CA 0.948 57.112 56.100 0.106 0.000 0.963 328 R CB -0.285 30.064 30.300 0.082 0.000 0.858 328 R HN 0.411 nan 8.270 nan 0.000 0.435 329 S N 1.280 117.090 115.700 0.183 0.000 2.465 329 S HA 0.105 4.592 4.470 0.029 0.000 0.280 329 S C -1.905 172.773 174.600 0.132 0.000 1.232 329 S CA -1.576 56.745 58.200 0.202 0.000 1.066 329 S CB 1.080 64.522 63.200 0.403 0.000 0.929 329 S HN -0.051 nan 8.310 nan 0.000 0.494 330 P HA 0.016 nan 4.420 nan 0.000 0.226 330 P C 0.543 177.813 177.300 -0.050 0.000 1.153 330 P CA 0.597 63.704 63.100 0.011 0.000 0.777 330 P CB 0.145 31.845 31.700 0.000 0.000 0.794 331 D N -1.183 119.170 120.400 -0.079 0.000 2.097 331 D HA -0.092 4.565 4.640 0.029 0.000 0.197 331 D C 1.565 177.678 176.300 -0.312 0.000 0.984 331 D CA 1.174 55.046 54.000 -0.213 0.000 0.826 331 D CB -0.755 39.876 40.800 -0.281 0.000 0.973 331 D HN 0.129 nan 8.370 nan 0.000 0.460 332 F N 0.647 120.456 119.950 -0.235 0.000 2.259 332 F HA 0.054 4.599 4.527 0.030 0.000 0.298 332 F C 2.454 177.862 175.800 -0.652 0.000 1.088 332 F CA 0.550 58.252 58.000 -0.498 0.000 1.358 332 F CB -0.129 38.577 39.000 -0.490 0.000 1.040 332 F HN -0.168 nan 8.300 nan 0.000 0.505 333 R N 0.834 121.266 120.500 -0.112 0.000 2.070 333 R HA -0.141 4.216 4.340 0.029 0.000 0.233 333 R C 2.265 178.564 176.300 -0.002 0.000 1.137 333 R CA 1.667 57.768 56.100 0.002 0.000 0.945 333 R CB -0.640 29.702 30.300 0.070 0.000 0.845 333 R HN 0.236 nan 8.270 nan 0.000 0.430 334 I N 0.859 121.392 120.570 -0.062 0.000 2.315 334 I HA -0.295 3.893 4.170 0.029 0.000 0.251 334 I C 2.345 178.388 176.117 -0.124 0.000 1.125 334 I CA 1.344 62.590 61.300 -0.090 0.000 1.392 334 I CB -0.280 37.633 38.000 -0.144 0.000 1.065 334 I HN 0.416 nan 8.210 nan 0.000 0.424 335 A N 0.467 123.189 122.820 -0.163 0.000 1.898 335 A HA -0.141 4.196 4.320 0.029 0.000 0.214 335 A C 1.975 179.710 177.584 0.251 0.000 1.183 335 A CA 1.028 53.029 52.037 -0.060 0.000 0.622 335 A CB -0.688 18.292 19.000 -0.033 0.000 0.824 335 A HN 0.273 nan 8.150 nan 0.000 0.444 336 F N 1.293 121.351 119.950 0.180 0.000 2.134 336 F HA -0.218 4.328 4.527 0.031 0.000 0.299 336 F C 2.880 178.754 175.800 0.124 0.000 1.097 336 F CA 1.170 59.266 58.000 0.161 0.000 1.264 336 F CB -1.031 38.067 39.000 0.163 0.000 1.001 336 F HN 0.532 nan 8.300 nan 0.000 0.479 337 Q N 0.057 120.027 119.800 0.283 0.000 2.079 337 Q HA -0.176 4.182 4.340 0.029 0.000 0.200 337 Q C 1.665 177.752 176.000 0.144 0.000 0.974 337 Q CA 1.405 57.316 55.803 0.180 0.000 0.840 337 Q CB -0.769 28.043 28.738 0.123 0.000 0.898 337 Q HN 0.338 nan 8.270 nan 0.000 0.430 338 E N 1.290 121.565 120.200 0.125 0.000 2.085 338 E HA -0.098 4.270 4.350 0.029 0.000 0.194 338 E C 2.230 178.946 176.600 0.195 0.000 0.994 338 E CA 0.886 57.362 56.400 0.126 0.000 0.801 338 E CB -0.156 29.580 29.700 0.060 0.000 0.743 338 E HN 0.430 nan 8.360 nan 0.000 0.453 339 L N 0.166 121.544 121.223 0.258 0.000 2.109 339 L HA -0.089 4.268 4.340 0.029 0.000 0.207 339 L C 2.283 179.226 176.870 0.121 0.000 1.086 339 L CA 0.639 55.597 54.840 0.197 0.000 0.760 339 L CB -0.226 41.956 42.059 0.205 0.000 0.910 339 L HN 0.094 nan 8.230 nan 0.000 0.437 340 L N -1.026 120.277 121.223 0.133 0.000 2.650 340 L HA -0.055 4.303 4.340 0.029 0.000 0.235 340 L C 1.271 178.203 176.870 0.103 0.000 1.149 340 L CA -0.319 54.588 54.840 0.112 0.000 0.887 340 L CB -0.356 41.788 42.059 0.141 0.000 1.021 340 L HN 0.380 nan 8.230 nan 0.000 0.441 341 C N 0.883 120.243 119.300 0.100 0.000 4.114 341 C HA -0.200 4.278 4.460 0.029 0.000 0.300 341 C C 1.118 176.151 174.990 0.072 0.000 1.423 341 C CA -0.358 58.708 59.018 0.080 0.000 2.034 341 C CB -2.328 25.452 27.740 0.066 0.000 1.299 341 C HN 0.355 nan 8.230 nan 0.000 0.727 1003 I N -0.521 119.980 120.570 -0.115 0.000 2.361 1003 I HA -0.096 4.091 4.170 0.029 0.000 0.251 1003 I C 0.886 176.847 176.117 -0.261 0.000 1.133 1003 I CA 1.257 62.413 61.300 -0.241 0.000 1.413 1003 I CB -0.128 37.650 38.000 -0.370 0.000 1.073 1003 I HN 0.500 nan 8.210 nan 0.000 0.424 1004 F N 1.537 121.455 119.950 -0.053 0.000 2.095 1004 F HA -0.238 4.315 4.527 0.044 0.000 0.298 1004 F C 2.504 178.380 175.800 0.126 0.000 1.104 1004 F CA 1.833 59.917 58.000 0.140 0.000 1.232 1004 F CB -0.731 38.354 39.000 0.142 0.000 0.987 1004 F HN 0.085 nan 8.300 nan 0.000 0.475 1005 E N -0.123 120.155 120.200 0.130 0.000 2.077 1005 E HA -0.251 4.116 4.350 0.029 0.000 0.193 1005 E C 2.248 178.759 176.600 -0.149 0.000 0.989 1005 E CA 1.281 57.648 56.400 -0.054 0.000 0.800 1005 E CB -0.319 29.282 29.700 -0.164 0.000 0.746 1005 E HN 0.407 nan 8.360 nan 0.000 0.452 1006 M N 0.761 120.205 119.600 -0.260 0.000 2.080 1006 M HA -0.209 4.289 4.480 0.029 0.000 0.260 1006 M C 2.148 178.363 176.300 -0.142 0.000 1.068 1006 M CA 1.546 56.626 55.300 -0.366 0.000 1.109 1006 M CB -0.050 32.289 32.600 -0.435 0.000 1.342 1006 M HN 0.146 nan 8.290 nan 0.000 0.405 1007 L N -0.693 120.474 121.223 -0.093 0.000 2.056 1007 L HA -0.210 4.147 4.340 0.029 0.000 0.207 1007 L C 2.807 179.651 176.870 -0.043 0.000 1.078 1007 L CA 0.865 55.666 54.840 -0.066 0.000 0.749 1007 L CB -0.773 41.194 42.059 -0.153 0.000 0.901 1007 L HN 0.324 nan 8.230 nan 0.000 0.433 1008 R N 0.826 121.278 120.500 -0.081 0.000 2.096 1008 R HA -0.182 4.175 4.340 0.029 0.000 0.240 1008 R C 2.149 178.408 176.300 -0.068 0.000 1.139 1008 R CA 1.802 57.802 56.100 -0.167 0.000 0.952 1008 R CB -0.708 29.486 30.300 -0.176 0.000 0.854 1008 R HN 0.339 nan 8.270 nan 0.000 0.436 1009 I N 1.214 121.773 120.570 -0.018 0.000 2.163 1009 I HA -0.296 3.891 4.170 0.029 0.000 0.243 1009 I C 1.167 177.327 176.117 0.072 0.000 1.085 1009 I CA 2.054 63.377 61.300 0.040 0.000 1.347 1009 I CB -0.288 37.796 38.000 0.139 0.000 1.044 1009 I HN 0.231 nan 8.210 nan 0.000 0.408 1010 D N -1.412 119.064 120.400 0.126 0.000 2.501 1010 D HA 0.002 4.660 4.640 0.029 0.000 0.226 1010 D C 1.220 177.595 176.300 0.125 0.000 1.198 1010 D CA 0.140 54.216 54.000 0.126 0.000 0.830 1010 D CB 0.331 41.243 40.800 0.187 0.000 1.014 1010 D HN 0.196 nan 8.370 nan 0.000 0.496 1011 E N 0.482 120.741 120.200 0.098 0.000 2.421 1011 E HA 0.354 4.722 4.350 0.029 0.000 0.209 1011 E C 0.907 177.553 176.600 0.077 0.000 0.871 1011 E CA 0.793 57.276 56.400 0.139 0.000 1.064 1011 E CB 0.799 30.619 29.700 0.200 0.000 1.075 1011 E HN 0.289 nan 8.360 nan 0.000 0.513 1012 G N 0.411 109.214 108.800 0.005 0.000 2.828 1012 G HA2 -0.237 3.740 3.960 0.029 0.000 0.463 1012 G HA3 -0.237 3.740 3.960 0.029 0.000 0.463 1012 G C -0.973 173.889 174.900 -0.064 0.000 1.394 1012 G CA -0.173 44.900 45.100 -0.045 0.000 0.862 1012 G HN 0.334 nan 8.290 nan 0.000 0.540 1013 L N -0.012 121.158 121.223 -0.088 0.000 2.470 1013 L HA 0.820 5.178 4.340 0.029 0.000 0.268 1013 L C -0.270 176.553 176.870 -0.079 0.000 0.964 1013 L CA -0.969 53.829 54.840 -0.069 0.000 0.839 1013 L CB 1.404 43.413 42.059 -0.082 0.000 1.276 1013 L HN 0.793 nan 8.230 nan 0.000 0.403 1014 R N 5.104 125.581 120.500 -0.039 0.000 2.628 1014 R HA 0.436 4.793 4.340 0.029 0.000 0.288 1014 R C -0.515 175.840 176.300 0.091 0.000 0.980 1014 R CA -0.671 55.412 56.100 -0.028 0.000 0.891 1014 R CB 2.076 32.273 30.300 -0.172 0.000 1.188 1014 R HN 0.627 nan 8.270 nan 0.000 0.450 1015 L N 0.595 121.859 121.223 0.068 0.000 2.640 1015 L HA 0.316 4.674 4.340 0.029 0.000 0.230 1015 L C 0.806 177.734 176.870 0.096 0.000 1.123 1015 L CA 0.551 55.439 54.840 0.081 0.000 0.900 1015 L CB -0.115 41.970 42.059 0.044 0.000 1.146 1015 L HN 0.369 nan 8.230 nan 0.000 0.484 1016 K N 0.617 121.086 120.400 0.115 0.000 2.095 1016 K HA 0.497 4.834 4.320 0.029 0.000 0.252 1016 K C -0.260 176.468 176.600 0.214 0.000 0.977 1016 K CA -0.734 55.629 56.287 0.127 0.000 0.900 1016 K CB 1.157 33.717 32.500 0.099 0.000 1.060 1016 K HN -0.121 nan 8.250 nan 0.000 0.449 1017 I N 4.074 124.748 120.570 0.173 0.000 2.588 1017 I HA 0.096 4.283 4.170 0.029 0.000 0.283 1017 I C -0.249 176.036 176.117 0.280 0.000 1.119 1017 I CA -0.044 61.366 61.300 0.183 0.000 1.419 1017 I CB 0.073 38.129 38.000 0.093 0.000 1.394 1017 I HN 0.612 nan 8.210 nan 0.000 0.562 1018 Y N 4.128 124.520 120.300 0.154 0.000 2.818 1018 Y HA 0.682 5.246 4.550 0.024 0.000 0.322 1018 Y C -1.400 174.564 175.900 0.107 0.000 1.323 1018 Y CA -1.597 56.576 58.100 0.121 0.000 1.090 1018 Y CB 1.012 39.517 38.460 0.075 0.000 1.328 1018 Y HN 0.262 nan 8.280 nan 0.000 0.482 1019 K N 1.563 122.044 120.400 0.136 0.000 2.270 1019 K HA 0.302 4.639 4.320 0.029 0.000 0.255 1019 K C -1.389 175.272 176.600 0.101 0.000 0.936 1019 K CA -0.981 55.273 56.287 -0.056 0.000 0.809 1019 K CB 1.581 34.007 32.500 -0.124 0.000 1.131 1019 K HN 0.789 nan 8.250 nan 0.000 0.427 1020 D N 0.119 120.523 120.400 0.006 0.000 2.411 1020 D HA -0.031 4.626 4.640 0.029 0.000 0.251 1020 D C 0.962 177.272 176.300 0.017 0.000 1.201 1020 D CA -0.443 53.612 54.000 0.093 0.000 0.996 1020 D CB 0.371 41.227 40.800 0.094 0.000 1.101 1020 D HN 0.570 nan 8.370 nan 0.000 0.504 1021 T N -2.738 111.840 114.554 0.040 0.000 3.007 1021 T HA -0.110 4.258 4.350 0.029 0.000 0.270 1021 T C 1.260 175.928 174.700 -0.052 0.000 1.107 1021 T CA 1.001 63.103 62.100 0.003 0.000 1.118 1021 T CB -0.402 68.487 68.868 0.034 0.000 0.889 1021 T HN 0.494 nan 8.240 nan 0.000 0.506 1022 E N 1.346 121.498 120.200 -0.079 0.000 2.047 1022 E HA 0.219 4.587 4.350 0.029 0.000 0.191 1022 E C 1.949 178.284 176.600 -0.442 0.000 0.987 1022 E CA 0.905 57.179 56.400 -0.211 0.000 0.799 1022 E CB -0.270 29.338 29.700 -0.152 0.000 0.752 1022 E HN 0.672 nan 8.360 nan 0.000 0.449 1023 G N -1.032 107.507 108.800 -0.435 0.000 2.367 1023 G HA2 -0.166 3.811 3.960 0.029 0.000 0.181 1023 G HA3 -0.166 3.811 3.960 0.029 0.000 0.181 1023 G C -0.322 174.286 174.900 -0.487 0.000 1.000 1023 G CA -0.359 44.469 45.100 -0.454 0.000 0.693 1023 G HN 0.080 nan 8.290 nan 0.000 0.480 1024 Y N 0.464 120.654 120.300 -0.183 0.000 2.299 1024 Y HA 0.632 5.199 4.550 0.028 0.000 0.335 1024 Y C 0.709 176.438 175.900 -0.284 0.000 1.287 1024 Y CA -1.068 56.901 58.100 -0.218 0.000 1.424 1024 Y CB 0.218 38.616 38.460 -0.103 0.000 1.326 1024 Y HN 0.128 nan 8.280 nan 0.000 0.567 1025 Y N 0.578 120.913 120.300 0.058 0.000 2.402 1025 Y HA 0.340 4.906 4.550 0.027 0.000 0.333 1025 Y C 0.436 176.230 175.900 -0.177 0.000 1.076 1025 Y CA -0.100 57.952 58.100 -0.080 0.000 1.299 1025 Y CB 0.481 38.912 38.460 -0.048 0.000 1.197 1025 Y HN 0.500 nan 8.280 nan 0.000 0.517 1026 T N 4.405 118.812 114.554 -0.244 0.000 2.901 1026 T HA 0.728 5.095 4.350 0.029 0.000 0.293 1026 T C -1.051 173.389 174.700 -0.433 0.000 1.084 1026 T CA -0.771 61.092 62.100 -0.395 0.000 1.008 1026 T CB 2.165 70.696 68.868 -0.562 0.000 1.170 1026 T HN 0.552 nan 8.240 nan 0.000 0.509 1027 I N -0.783 119.736 120.570 -0.085 0.000 3.181 1027 I HA 0.552 4.739 4.170 0.029 0.000 0.311 1027 I C 0.616 176.928 176.117 0.325 0.000 1.287 1027 I CA 0.102 61.512 61.300 0.182 0.000 0.958 1027 I CB 1.642 39.737 38.000 0.159 0.000 1.294 1027 I HN 0.934 nan 8.210 nan 0.000 0.467 1028 G N 3.730 112.713 108.800 0.305 0.000 2.574 1028 G HA2 -0.279 3.698 3.960 0.029 0.000 0.286 1028 G HA3 -0.279 3.698 3.960 0.029 0.000 0.286 1028 G C -0.191 174.839 174.900 0.217 0.000 1.212 1028 G CA 0.246 45.478 45.100 0.220 0.000 0.979 1028 G HN 0.694 nan 8.290 nan 0.000 0.557 1029 I N 2.863 123.538 120.570 0.174 0.000 2.268 1029 I HA 0.436 4.623 4.170 0.029 0.000 0.290 1029 I C 1.459 177.814 176.117 0.398 0.000 1.125 1029 I CA 0.671 62.043 61.300 0.120 0.000 1.236 1029 I CB 0.189 37.995 38.000 -0.322 0.000 1.469 1029 I HN 1.597 nan 8.210 nan 0.000 0.512 1030 G N 4.094 113.140 108.800 0.411 0.000 2.393 1030 G HA2 -0.329 3.648 3.960 0.029 0.000 0.299 1030 G HA3 -0.329 3.648 3.960 0.029 0.000 0.299 1030 G C -0.010 175.081 174.900 0.319 0.000 0.990 1030 G CA 0.243 45.595 45.100 0.420 0.000 1.118 1030 G HN 0.845 nan 8.290 nan 0.000 0.513 1031 H N -0.198 118.981 119.070 0.181 0.000 2.661 1031 H HA 0.559 5.143 4.556 0.046 0.000 0.290 1031 H C 0.478 175.816 175.328 0.017 0.000 1.082 1031 H CA -1.106 54.992 56.048 0.084 0.000 1.234 1031 H CB 0.545 30.390 29.762 0.138 0.000 1.387 1031 H HN 0.347 nan 8.280 nan 0.000 0.476 1032 L N 4.944 125.942 121.223 -0.375 0.000 2.525 1032 L HA 0.017 4.375 4.340 0.029 0.000 0.278 1032 L C -0.011 176.593 176.870 -0.444 0.000 1.218 1032 L CA 0.605 55.252 54.840 -0.321 0.000 0.878 1032 L CB 0.378 42.295 42.059 -0.236 0.000 1.127 1032 L HN 0.880 nan 8.230 nan 0.000 0.492 1033 L N 2.557 123.658 121.223 -0.204 0.000 2.388 1033 L HA 0.296 4.653 4.340 0.029 0.000 0.209 1033 L C 0.680 177.500 176.870 -0.084 0.000 1.061 1033 L CA 0.527 55.294 54.840 -0.121 0.000 0.834 1033 L CB 0.187 42.227 42.059 -0.031 0.000 1.029 1033 L HN 0.788 nan 8.230 nan 0.000 0.473 1034 T N -1.828 112.694 114.554 -0.053 0.000 2.770 1034 T HA 0.191 4.558 4.350 0.029 0.000 0.323 1034 T C -0.752 173.913 174.700 -0.059 0.000 1.683 1034 T CA -0.597 61.470 62.100 -0.056 0.000 1.024 1034 T CB 1.437 70.297 68.868 -0.014 0.000 1.557 1034 T HN -0.055 nan 8.240 nan 0.000 0.494 1035 K N 0.914 121.212 120.400 -0.170 0.000 2.374 1035 K HA 0.285 4.622 4.320 0.029 0.000 0.196 1035 K C 0.664 177.271 176.600 0.013 0.000 1.023 1035 K CA -0.096 56.003 56.287 -0.314 0.000 1.103 1035 K CB 0.534 32.573 32.500 -0.768 0.000 0.848 1035 K HN 0.408 nan 8.250 nan 0.000 0.528 1036 S N 1.774 117.506 115.700 0.053 0.000 2.549 1036 S HA 0.109 4.597 4.470 0.029 0.000 0.283 1036 S C -1.854 172.875 174.600 0.214 0.000 1.320 1036 S CA -1.373 56.888 58.200 0.102 0.000 1.058 1036 S CB 0.653 63.886 63.200 0.055 0.000 0.882 1036 S HN -0.022 nan 8.310 nan 0.000 0.498 1037 P HA 0.108 nan 4.420 nan 0.000 0.245 1037 P C -0.073 177.405 177.300 0.297 0.000 1.212 1037 P CA 0.091 63.342 63.100 0.252 0.000 0.774 1037 P CB 0.044 31.827 31.700 0.138 0.000 0.999 1038 S N 0.408 116.207 115.700 0.166 0.000 2.465 1038 S HA 0.177 4.664 4.470 0.029 0.000 0.279 1038 S C 1.034 175.568 174.600 -0.111 0.000 1.201 1038 S CA -0.673 57.559 58.200 0.052 0.000 1.053 1038 S CB 0.054 63.263 63.200 0.015 0.000 0.953 1038 S HN -0.155 nan 8.310 nan 0.000 0.488 1039 L N 5.842 126.935 121.223 -0.217 0.000 2.056 1039 L HA 0.052 4.409 4.340 0.029 0.000 0.207 1039 L C 1.859 178.548 176.870 -0.303 0.000 1.078 1039 L CA 1.828 56.367 54.840 -0.502 0.000 0.749 1039 L CB -1.268 40.603 42.059 -0.314 0.000 0.901 1039 L HN 0.685 nan 8.230 nan 0.000 0.433 1040 N N -0.160 118.446 118.700 -0.156 0.000 2.223 1040 N HA -0.112 4.645 4.740 0.029 0.000 0.185 1040 N C 1.810 177.264 175.510 -0.094 0.000 1.016 1040 N CA 1.325 54.314 53.050 -0.101 0.000 0.863 1040 N CB -0.302 38.151 38.487 -0.057 0.000 0.983 1040 N HN 0.488 nan 8.380 nan 0.000 0.429 1041 A N 0.398 123.161 122.820 -0.095 0.000 1.933 1041 A HA 0.039 4.376 4.320 0.029 0.000 0.218 1041 A C 2.284 179.817 177.584 -0.085 0.000 1.175 1041 A CA 1.773 53.769 52.037 -0.068 0.000 0.628 1041 A CB -0.828 18.148 19.000 -0.039 0.000 0.814 1041 A HN 0.308 nan 8.150 nan 0.000 0.444 1042 A N -0.106 122.618 122.820 -0.159 0.000 1.873 1042 A HA -0.139 4.199 4.320 0.029 0.000 0.215 1042 A C 2.104 179.625 177.584 -0.104 0.000 1.186 1042 A CA 1.706 53.650 52.037 -0.155 0.000 0.616 1042 A CB -0.447 18.357 19.000 -0.327 0.000 0.823 1042 A HN 0.501 nan 8.150 nan 0.000 0.442 1043 K N -0.372 119.958 120.400 -0.118 0.000 2.152 1043 K HA -0.124 4.213 4.320 0.029 0.000 0.206 1043 K C 2.398 178.975 176.600 -0.038 0.000 1.048 1043 K CA 1.378 57.625 56.287 -0.067 0.000 0.933 1043 K CB -0.192 32.268 32.500 -0.067 0.000 0.721 1043 K HN 0.458 nan 8.250 nan 0.000 0.447 1044 S N 0.832 116.507 115.700 -0.042 0.000 2.371 1044 S HA -0.109 4.379 4.470 0.029 0.000 0.224 1044 S C 1.736 176.328 174.600 -0.013 0.000 1.029 1044 S CA 1.027 59.212 58.200 -0.025 0.000 0.978 1044 S CB 0.013 63.197 63.200 -0.026 0.000 0.833 1044 S HN 0.196 nan 8.310 nan 0.000 0.466 1045 E N 0.764 120.955 120.200 -0.016 0.000 2.274 1045 E HA -0.048 4.319 4.350 0.029 0.000 0.194 1045 E C 1.912 178.526 176.600 0.024 0.000 0.996 1045 E CA 0.405 56.805 56.400 -0.000 0.000 0.840 1045 E CB -0.313 29.381 29.700 -0.011 0.000 0.772 1045 E HN 0.438 nan 8.360 nan 0.000 0.491 1046 L N 1.555 122.791 121.223 0.021 0.000 2.049 1046 L HA -0.093 4.264 4.340 0.029 0.000 0.203 1046 L C 1.460 178.350 176.870 0.034 0.000 1.074 1046 L CA 1.829 56.696 54.840 0.044 0.000 0.749 1046 L CB -0.471 41.610 42.059 0.036 0.000 0.907 1046 L HN -0.142 nan 8.230 nan 0.000 0.439 1047 D N -0.165 120.245 120.400 0.017 0.000 2.182 1047 D HA -0.220 4.437 4.640 0.029 0.000 0.201 1047 D C 2.109 178.418 176.300 0.014 0.000 0.986 1047 D CA 1.112 55.119 54.000 0.013 0.000 0.847 1047 D CB -0.073 40.730 40.800 0.004 0.000 0.942 1047 D HN 0.371 nan 8.370 nan 0.000 0.467 1048 K N 0.308 120.717 120.400 0.015 0.000 2.057 1048 K HA -0.094 4.243 4.320 0.029 0.000 0.207 1048 K C 1.968 178.582 176.600 0.023 0.000 1.049 1048 K CA 1.162 57.458 56.287 0.016 0.000 0.931 1048 K CB 0.040 32.548 32.500 0.013 0.000 0.714 1048 K HN 0.048 nan 8.250 nan 0.000 0.440 1049 A N 1.284 124.125 122.820 0.036 0.000 1.840 1049 A HA -0.113 4.224 4.320 0.029 0.000 0.214 1049 A C 1.980 179.580 177.584 0.026 0.000 1.198 1049 A CA 1.137 53.200 52.037 0.044 0.000 0.608 1049 A CB -0.398 18.650 19.000 0.081 0.000 0.839 1049 A HN 0.174 nan 8.150 nan 0.000 0.443 1050 I N -1.064 119.521 120.570 0.025 0.000 2.233 1050 I HA 0.030 4.218 4.170 0.029 0.000 0.243 1050 I C 1.798 177.923 176.117 0.014 0.000 1.093 1050 I CA 1.766 63.076 61.300 0.017 0.000 1.380 1050 I CB -1.887 36.125 38.000 0.020 0.000 1.067 1050 I HN 0.629 nan 8.210 nan 0.000 0.413 1051 G N 1.864 110.672 108.800 0.014 0.000 2.288 1051 G HA2 -0.204 3.773 3.960 0.029 0.000 0.205 1051 G HA3 -0.204 3.773 3.960 0.029 0.000 0.205 1051 G C 0.227 175.133 174.900 0.009 0.000 1.071 1051 G CA 0.152 45.259 45.100 0.010 0.000 0.788 1051 G HN 0.523 nan 8.290 nan 0.000 0.491 1052 R N -0.822 119.684 120.500 0.010 0.000 2.663 1052 R HA 0.412 4.770 4.340 0.029 0.000 0.267 1052 R C -1.166 175.139 176.300 0.008 0.000 1.038 1052 R CA -0.985 55.120 56.100 0.009 0.000 0.886 1052 R CB 0.548 30.854 30.300 0.010 0.000 1.249 1052 R HN 0.019 nan 8.270 nan 0.000 0.463 1053 N N 2.191 120.894 118.700 0.006 0.000 2.671 1053 N HA 0.003 4.760 4.740 0.029 0.000 0.274 1053 N C 0.656 176.170 175.510 0.006 0.000 1.188 1053 N CA 0.346 53.399 53.050 0.004 0.000 1.065 1053 N CB 1.346 39.834 38.487 0.002 0.000 1.415 1053 N HN 0.682 nan 8.380 nan 0.000 0.511 1054 T N -1.795 112.764 114.554 0.008 0.000 2.857 1054 T HA -0.107 4.260 4.350 0.029 0.000 0.266 1054 T C 0.701 175.407 174.700 0.010 0.000 1.048 1054 T CA 0.342 62.450 62.100 0.012 0.000 1.139 1054 T CB -0.032 68.847 68.868 0.019 0.000 0.874 1054 T HN 0.397 nan 8.240 nan 0.000 0.455 1055 N N 1.516 120.218 118.700 0.004 0.000 2.735 1055 N HA -0.167 4.590 4.740 0.029 0.000 0.248 1055 N C 0.958 176.471 175.510 0.004 0.000 1.083 1055 N CA 1.197 54.247 53.050 -0.000 0.000 0.703 1055 N CB -1.744 36.744 38.487 0.002 0.000 1.005 1055 N HN 1.079 nan 8.380 nan 0.000 0.550 1056 G N -2.710 106.094 108.800 0.008 0.000 2.159 1056 G HA2 -0.295 3.682 3.960 0.029 0.000 0.256 1056 G HA3 -0.295 3.682 3.960 0.029 0.000 0.256 1056 G C -0.090 174.832 174.900 0.037 0.000 0.977 1056 G CA 0.385 45.497 45.100 0.020 0.000 0.652 1056 G HN 0.533 nan 8.290 nan 0.000 0.531 1057 V N 2.108 122.041 119.914 0.031 0.000 2.487 1057 V HA 0.792 4.929 4.120 0.029 0.000 0.298 1057 V C 0.425 176.539 176.094 0.034 0.000 1.028 1057 V CA -0.322 61.998 62.300 0.033 0.000 0.860 1057 V CB 1.751 33.589 31.823 0.024 0.000 0.991 1057 V HN 0.785 nan 8.190 nan 0.000 0.427 1058 I N 1.854 122.448 120.570 0.040 0.000 2.969 1058 I HA 0.857 5.044 4.170 0.029 0.000 0.307 1058 I C 0.017 176.153 176.117 0.032 0.000 1.149 1058 I CA -0.502 60.821 61.300 0.037 0.000 1.008 1058 I CB 2.789 40.818 38.000 0.049 0.000 1.232 1058 I HN 0.635 nan 8.210 nan 0.000 0.435 1059 T N -0.000 114.569 114.554 0.026 0.000 2.881 1059 T HA 0.310 4.677 4.350 0.029 0.000 0.278 1059 T C 0.808 175.523 174.700 0.024 0.000 0.982 1059 T CA -0.587 61.525 62.100 0.020 0.000 0.989 1059 T CB 1.845 70.722 68.868 0.014 0.000 1.058 1059 T HN 0.902 nan 8.240 nan 0.000 0.529 1060 K N 0.331 120.742 120.400 0.017 0.000 2.152 1060 K HA -0.183 4.154 4.320 0.029 0.000 0.206 1060 K C 1.504 178.121 176.600 0.028 0.000 1.048 1060 K CA 1.845 58.143 56.287 0.018 0.000 0.933 1060 K CB -0.348 32.157 32.500 0.009 0.000 0.721 1060 K HN 0.639 nan 8.250 nan 0.000 0.447 1061 D N 0.781 121.196 120.400 0.025 0.000 2.104 1061 D HA -0.192 4.466 4.640 0.029 0.000 0.194 1061 D C 1.579 177.899 176.300 0.033 0.000 0.994 1061 D CA 1.543 55.559 54.000 0.028 0.000 0.830 1061 D CB -0.055 40.757 40.800 0.021 0.000 0.959 1061 D HN 0.494 nan 8.370 nan 0.000 0.452 1062 E N 0.908 121.127 120.200 0.030 0.000 2.208 1062 E HA -0.010 4.357 4.350 0.029 0.000 0.193 1062 E C 2.101 178.724 176.600 0.038 0.000 0.988 1062 E CA 0.555 56.973 56.400 0.030 0.000 0.828 1062 E CB 0.042 29.758 29.700 0.027 0.000 0.763 1062 E HN 0.188 nan 8.360 nan 0.000 0.478 1063 A N 1.586 124.436 122.820 0.049 0.000 1.872 1063 A HA -0.178 4.159 4.320 0.029 0.000 0.214 1063 A C 2.049 179.701 177.584 0.112 0.000 1.187 1063 A CA 1.150 53.227 52.037 0.068 0.000 0.614 1063 A CB -0.272 18.760 19.000 0.054 0.000 0.826 1063 A HN 0.134 nan 8.150 nan 0.000 0.442 1064 E N -0.320 119.946 120.200 0.110 0.000 2.274 1064 E HA -0.118 4.249 4.350 0.029 0.000 0.194 1064 E C 1.807 178.517 176.600 0.183 0.000 0.996 1064 E CA 0.748 57.262 56.400 0.189 0.000 0.840 1064 E CB 0.002 29.780 29.700 0.130 0.000 0.772 1064 E HN 0.584 nan 8.360 nan 0.000 0.491 1065 K N 0.069 120.530 120.400 0.102 0.000 2.103 1065 K HA -0.070 4.267 4.320 0.029 0.000 0.204 1065 K C 2.145 178.781 176.600 0.060 0.000 1.052 1065 K CA 0.630 56.956 56.287 0.065 0.000 0.945 1065 K CB 0.057 32.578 32.500 0.034 0.000 0.722 1065 K HN 0.125 nan 8.250 nan 0.000 0.443 1066 L N 0.006 121.255 121.223 0.045 0.000 1.994 1066 L HA -0.190 4.167 4.340 0.029 0.000 0.208 1066 L C 2.321 179.244 176.870 0.088 0.000 1.071 1066 L CA 1.116 55.933 54.840 -0.039 0.000 0.745 1066 L CB -0.396 41.550 42.059 -0.188 0.000 0.892 1066 L HN 0.121 nan 8.230 nan 0.000 0.431 1067 F N 1.401 121.383 119.950 0.053 0.000 2.120 1067 F HA -0.300 4.224 4.527 -0.004 0.000 0.300 1067 F C 2.338 178.266 175.800 0.213 0.000 1.095 1067 F CA 1.817 59.921 58.000 0.173 0.000 1.249 1067 F CB -0.451 38.650 39.000 0.167 0.000 0.995 1067 F HN 0.155 nan 8.300 nan 0.000 0.480 1068 N N 0.236 118.993 118.700 0.095 0.000 2.188 1068 N HA -0.152 4.605 4.740 0.029 0.000 0.184 1068 N C 1.863 177.395 175.510 0.036 0.000 1.018 1068 N CA 1.386 54.465 53.050 0.049 0.000 0.858 1068 N CB -0.532 37.990 38.487 0.057 0.000 0.989 1068 N HN 0.520 nan 8.380 nan 0.000 0.426 1069 Q N 0.252 120.076 119.800 0.040 0.000 2.079 1069 Q HA -0.094 4.263 4.340 0.029 0.000 0.200 1069 Q C 0.951 176.979 176.000 0.047 0.000 0.974 1069 Q CA 1.004 56.826 55.803 0.032 0.000 0.840 1069 Q CB 0.005 28.754 28.738 0.018 0.000 0.898 1069 Q HN 0.346 nan 8.270 nan 0.000 0.430 1070 D N 0.012 120.463 120.400 0.085 0.000 2.104 1070 D HA -0.137 4.521 4.640 0.029 0.000 0.194 1070 D C 1.993 178.386 176.300 0.155 0.000 0.994 1070 D CA 0.992 55.088 54.000 0.161 0.000 0.830 1070 D CB -0.238 40.769 40.800 0.345 0.000 0.959 1070 D HN 0.037 nan 8.370 nan 0.000 0.452 1071 V N 1.508 121.453 119.914 0.052 0.000 2.244 1071 V HA -0.220 3.917 4.120 0.029 0.000 0.244 1071 V C 1.868 177.943 176.094 -0.031 0.000 1.042 1071 V CA 1.856 64.121 62.300 -0.058 0.000 1.006 1071 V CB -0.524 31.056 31.823 -0.405 0.000 0.641 1071 V HN 0.043 nan 8.190 nan 0.000 0.446 1072 D N 0.564 120.955 120.400 -0.016 0.000 2.172 1072 D HA -0.186 4.471 4.640 0.029 0.000 0.196 1072 D C 2.106 178.402 176.300 -0.006 0.000 0.999 1072 D CA 1.783 55.782 54.000 -0.001 0.000 0.856 1072 D CB -0.364 40.448 40.800 0.019 0.000 0.934 1072 D HN 0.473 nan 8.370 nan 0.000 0.453 1073 A N 0.560 123.385 122.820 0.009 0.000 1.929 1073 A HA 0.123 4.460 4.320 0.029 0.000 0.216 1073 A C 2.268 179.852 177.584 -0.001 0.000 1.176 1073 A CA 1.690 53.729 52.037 0.004 0.000 0.628 1073 A CB -0.540 18.470 19.000 0.016 0.000 0.816 1073 A HN 0.222 nan 8.150 nan 0.000 0.444 1074 A N -0.528 122.306 122.820 0.024 0.000 1.969 1074 A HA 0.067 4.405 4.320 0.029 0.000 0.218 1074 A C 2.157 179.736 177.584 -0.009 0.000 1.169 1074 A CA 1.682 53.739 52.037 0.034 0.000 0.635 1074 A CB -0.630 18.445 19.000 0.125 0.000 0.810 1074 A HN 0.331 nan 8.150 nan 0.000 0.445 1075 V N -0.292 119.600 119.914 -0.037 0.000 2.346 1075 V HA -0.186 3.951 4.120 0.029 0.000 0.244 1075 V C 2.551 178.558 176.094 -0.145 0.000 1.037 1075 V CA 1.810 64.047 62.300 -0.105 0.000 1.029 1075 V CB -0.760 31.013 31.823 -0.084 0.000 0.663 1075 V HN 0.496 nan 8.190 nan 0.000 0.454 1076 R N 0.269 120.716 120.500 -0.088 0.000 2.103 1076 R HA -0.186 4.172 4.340 0.029 0.000 0.242 1076 R C 2.412 178.664 176.300 -0.079 0.000 1.142 1076 R CA 1.753 57.806 56.100 -0.078 0.000 0.960 1076 R CB -0.941 29.333 30.300 -0.044 0.000 0.858 1076 R HN 0.604 nan 8.270 nan 0.000 0.439 1077 G N 0.757 109.520 108.800 -0.061 0.000 2.432 1077 G HA2 -0.218 3.759 3.960 0.029 0.000 0.219 1077 G HA3 -0.218 3.759 3.960 0.029 0.000 0.219 1077 G C 1.420 176.284 174.900 -0.060 0.000 1.135 1077 G CA 0.540 45.611 45.100 -0.048 0.000 0.767 1077 G HN 0.217 nan 8.290 nan 0.000 0.550 1078 I N 0.154 120.667 120.570 -0.095 0.000 2.439 1078 I HA -0.031 4.156 4.170 0.029 0.000 0.251 1078 I C 2.513 178.546 176.117 -0.140 0.000 1.139 1078 I CA 0.479 61.712 61.300 -0.111 0.000 1.438 1078 I CB -0.060 37.836 38.000 -0.173 0.000 1.085 1078 I HN 0.118 nan 8.210 nan 0.000 0.427 1079 L N -0.011 121.103 121.223 -0.182 0.000 2.109 1079 L HA -0.113 4.244 4.340 0.029 0.000 0.207 1079 L C 2.707 179.533 176.870 -0.073 0.000 1.086 1079 L CA 1.038 55.792 54.840 -0.143 0.000 0.760 1079 L CB -0.519 41.449 42.059 -0.152 0.000 0.910 1079 L HN 0.163 nan 8.230 nan 0.000 0.437 1080 R N 0.536 120.998 120.500 -0.063 0.000 2.062 1080 R HA -0.090 4.267 4.340 0.029 0.000 0.229 1080 R C 1.219 177.502 176.300 -0.028 0.000 1.128 1080 R CA 0.535 56.611 56.100 -0.039 0.000 0.960 1080 R CB -0.055 30.224 30.300 -0.035 0.000 0.855 1080 R HN 0.274 nan 8.270 nan 0.000 0.432 1081 N N 0.428 119.111 118.700 -0.028 0.000 2.447 1081 N HA -0.074 4.683 4.740 0.029 0.000 0.263 1081 N C 0.336 175.841 175.510 -0.008 0.000 1.226 1081 N CA 0.598 53.638 53.050 -0.015 0.000 0.906 1081 N CB 1.561 40.042 38.487 -0.010 0.000 1.060 1081 N HN 0.314 nan 8.380 nan 0.000 0.468 1082 A N 5.057 127.875 122.820 -0.004 0.000 1.929 1082 A HA -0.091 4.246 4.320 0.029 0.000 0.216 1082 A C 1.913 179.503 177.584 0.011 0.000 1.176 1082 A CA 1.155 53.194 52.037 0.002 0.000 0.628 1082 A CB -0.054 18.945 19.000 -0.000 0.000 0.816 1082 A HN 0.814 nan 8.150 nan 0.000 0.444 1083 K N -0.641 119.766 120.400 0.012 0.000 2.365 1083 K HA 0.228 4.565 4.320 0.029 0.000 0.197 1083 K C 1.445 178.066 176.600 0.036 0.000 1.042 1083 K CA 0.481 56.780 56.287 0.020 0.000 0.987 1083 K CB -0.035 32.473 32.500 0.013 0.000 0.779 1083 K HN 0.431 nan 8.250 nan 0.000 0.484 1084 L N 0.724 121.970 121.223 0.039 0.000 2.269 1084 L HA 0.013 4.370 4.340 0.029 0.000 0.200 1084 L C 2.460 179.381 176.870 0.085 0.000 1.069 1084 L CA 0.425 55.304 54.840 0.064 0.000 0.804 1084 L CB -0.356 41.736 42.059 0.055 0.000 0.987 1084 L HN 0.063 nan 8.230 nan 0.000 0.468 1085 K N 1.289 121.719 120.400 0.050 0.000 2.077 1085 K HA -0.228 4.109 4.320 0.029 0.000 0.213 1085 K C -0.627 176.039 176.600 0.110 0.000 1.051 1085 K CA 2.111 58.431 56.287 0.056 0.000 0.929 1085 K CB -1.199 31.308 32.500 0.012 0.000 0.715 1085 K HN 0.151 nan 8.250 nan 0.000 0.451 1086 P HA -0.132 nan 4.420 nan 0.000 0.216 1086 P C 1.500 178.862 177.300 0.103 0.000 1.150 1086 P CA 1.196 64.343 63.100 0.079 0.000 0.837 1086 P CB 0.007 31.738 31.700 0.052 0.000 0.786 1087 V N -1.960 118.026 119.914 0.119 0.000 2.548 1087 V HA -0.219 3.918 4.120 0.029 0.000 0.249 1087 V C 2.283 178.481 176.094 0.175 0.000 1.055 1087 V CA 1.371 63.750 62.300 0.131 0.000 1.065 1087 V CB -1.488 30.409 31.823 0.123 0.000 0.681 1087 V HN 0.050 nan 8.190 nan 0.000 0.462 1088 Y N 1.719 122.062 120.300 0.072 0.000 2.242 1088 Y HA -0.205 4.361 4.550 0.027 0.000 0.291 1088 Y C 2.360 178.295 175.900 0.059 0.000 1.137 1088 Y CA 1.858 59.999 58.100 0.068 0.000 1.181 1088 Y CB -0.089 38.399 38.460 0.048 0.000 0.989 1088 Y HN 0.329 nan 8.280 nan 0.000 0.527 1089 D N -1.036 119.503 120.400 0.231 0.000 2.219 1089 D HA -0.166 4.491 4.640 0.029 0.000 0.205 1089 D C 2.246 178.585 176.300 0.064 0.000 0.970 1089 D CA 1.341 55.424 54.000 0.139 0.000 0.851 1089 D CB -0.388 40.491 40.800 0.131 0.000 0.943 1089 D HN 0.359 nan 8.370 nan 0.000 0.488 1090 S N -0.310 115.436 115.700 0.076 0.000 2.447 1090 S HA -0.039 4.448 4.470 0.029 0.000 0.233 1090 S C 0.956 175.616 174.600 0.100 0.000 1.006 1090 S CA 0.061 58.311 58.200 0.084 0.000 0.957 1090 S CB -0.096 63.162 63.200 0.097 0.000 0.773 1090 S HN 0.089 nan 8.310 nan 0.000 0.507 1091 L N 2.707 123.949 121.223 0.031 0.000 2.360 1091 L HA 0.390 4.748 4.340 0.029 0.000 0.271 1091 L C 0.163 176.972 176.870 -0.101 0.000 1.057 1091 L CA -1.065 53.772 54.840 -0.004 0.000 0.803 1091 L CB 0.818 42.826 42.059 -0.085 0.000 1.207 1091 L HN 0.370 nan 8.230 nan 0.000 0.445 1092 D N 1.388 121.711 120.400 -0.128 0.000 2.358 1092 D HA 0.080 4.737 4.640 0.029 0.000 0.244 1092 D C 0.868 177.038 176.300 -0.216 0.000 1.163 1092 D CA -0.168 53.737 54.000 -0.159 0.000 0.945 1092 D CB 1.445 42.139 40.800 -0.178 0.000 1.152 1092 D HN 0.581 nan 8.370 nan 0.000 0.451 1093 A N 1.436 124.158 122.820 -0.164 0.000 1.971 1093 A HA -0.193 4.144 4.320 0.029 0.000 0.222 1093 A C 2.238 179.712 177.584 -0.183 0.000 1.182 1093 A CA 2.254 54.210 52.037 -0.135 0.000 0.649 1093 A CB -0.896 18.073 19.000 -0.050 0.000 0.818 1093 A HN 0.485 nan 8.150 nan 0.000 0.458 1094 V N -0.451 119.282 119.914 -0.302 0.000 2.255 1094 V HA -0.228 3.909 4.120 0.029 0.000 0.243 1094 V C 2.485 178.223 176.094 -0.593 0.000 1.038 1094 V CA 2.076 64.040 62.300 -0.560 0.000 1.008 1094 V CB -0.908 30.431 31.823 -0.806 0.000 0.645 1094 V HN 0.523 nan 8.190 nan 0.000 0.449 1095 R N -0.226 119.942 120.500 -0.555 0.000 2.189 1095 R HA -0.076 4.281 4.340 0.029 0.000 0.223 1095 R C 2.505 178.574 176.300 -0.385 0.000 1.092 1095 R CA 0.963 56.726 56.100 -0.561 0.000 0.989 1095 R CB -0.329 29.695 30.300 -0.460 0.000 0.876 1095 R HN 0.467 nan 8.270 nan 0.000 0.457 1096 R N 0.410 120.706 120.500 -0.340 0.000 2.091 1096 R HA -0.132 4.225 4.340 0.029 0.000 0.238 1096 R C 2.273 178.457 176.300 -0.194 0.000 1.136 1096 R CA 1.724 57.603 56.100 -0.368 0.000 0.959 1096 R CB -0.302 29.712 30.300 -0.478 0.000 0.856 1096 R HN 0.209 nan 8.270 nan 0.000 0.437 1097 A N 0.565 123.270 122.820 -0.191 0.000 1.968 1097 A HA 0.009 4.346 4.320 0.029 0.000 0.217 1097 A C 2.271 179.757 177.584 -0.164 0.000 1.169 1097 A CA 1.312 53.282 52.037 -0.112 0.000 0.638 1097 A CB -0.474 18.537 19.000 0.018 0.000 0.812 1097 A HN 0.393 nan 8.150 nan 0.000 0.446 1098 A N -0.439 122.168 122.820 -0.355 0.000 1.933 1098 A HA -0.037 4.301 4.320 0.029 0.000 0.218 1098 A C 2.085 179.546 177.584 -0.204 0.000 1.175 1098 A CA 1.670 53.401 52.037 -0.510 0.000 0.628 1098 A CB -0.509 17.707 19.000 -1.306 0.000 0.814 1098 A HN 0.600 nan 8.150 nan 0.000 0.444 1099 L N -0.258 120.951 121.223 -0.023 0.000 2.109 1099 L HA -0.007 4.350 4.340 0.029 0.000 0.207 1099 L C 2.108 179.079 176.870 0.169 0.000 1.086 1099 L CA 1.503 56.501 54.840 0.263 0.000 0.760 1099 L CB -0.312 41.926 42.059 0.298 0.000 0.910 1099 L HN 0.426 nan 8.230 nan 0.000 0.437 1100 I N -0.611 120.027 120.570 0.113 0.000 2.439 1100 I HA -0.229 3.958 4.170 0.029 0.000 0.251 1100 I C 2.302 178.472 176.117 0.088 0.000 1.139 1100 I CA 0.911 62.268 61.300 0.095 0.000 1.438 1100 I CB -0.650 37.373 38.000 0.038 0.000 1.085 1100 I HN 0.387 nan 8.210 nan 0.000 0.427 1101 N N 1.579 120.309 118.700 0.050 0.000 2.094 1101 N HA -0.218 4.539 4.740 0.029 0.000 0.191 1101 N C 1.927 177.542 175.510 0.175 0.000 1.023 1101 N CA 1.881 54.982 53.050 0.085 0.000 0.857 1101 N CB -0.068 38.465 38.487 0.077 0.000 1.013 1101 N HN 0.302 nan 8.380 nan 0.000 0.426 1102 M N -0.139 119.524 119.600 0.104 0.000 2.077 1102 M HA -0.126 4.372 4.480 0.029 0.000 0.261 1102 M C 2.311 178.616 176.300 0.008 0.000 1.070 1102 M CA 1.073 56.342 55.300 -0.052 0.000 1.125 1102 M CB -0.285 32.160 32.600 -0.259 0.000 1.339 1102 M HN -0.087 nan 8.290 nan 0.000 0.409 1103 V N 0.121 120.071 119.914 0.060 0.000 2.324 1103 V HA -0.301 3.836 4.120 0.029 0.000 0.250 1103 V C 2.153 178.313 176.094 0.109 0.000 1.060 1103 V CA 2.061 64.403 62.300 0.069 0.000 1.042 1103 V CB -0.801 31.067 31.823 0.075 0.000 0.650 1103 V HN 0.386 nan 8.190 nan 0.000 0.450 1104 F N 0.467 120.428 119.950 0.018 0.000 2.120 1104 F HA -0.290 4.250 4.527 0.021 0.000 0.300 1104 F C 2.593 178.434 175.800 0.068 0.000 1.095 1104 F CA 2.526 60.554 58.000 0.047 0.000 1.249 1104 F CB -0.181 38.858 39.000 0.065 0.000 0.995 1104 F HN 0.155 nan 8.300 nan 0.000 0.480 1105 Q N -0.503 119.441 119.800 0.240 0.000 2.062 1105 Q HA -0.119 4.238 4.340 0.029 0.000 0.196 1105 Q C 1.841 177.877 176.000 0.060 0.000 0.967 1105 Q CA 1.665 57.570 55.803 0.171 0.000 0.832 1105 Q CB 0.011 28.894 28.738 0.241 0.000 0.899 1105 Q HN 0.476 nan 8.270 nan 0.000 0.442 1106 M N -0.866 118.748 119.600 0.022 0.000 2.331 1106 M HA 0.296 4.793 4.480 0.029 0.000 0.266 1106 M C 0.358 176.657 176.300 -0.001 0.000 1.055 1106 M CA 0.426 55.732 55.300 0.010 0.000 1.048 1106 M CB 1.804 34.391 32.600 -0.022 0.000 1.460 1106 M HN 0.275 nan 8.290 nan 0.000 0.519 1107 G N 1.183 109.975 108.800 -0.013 0.000 2.699 1107 G HA2 -0.168 3.809 3.960 0.029 0.000 0.686 1107 G HA3 -0.168 3.809 3.960 0.029 0.000 0.686 1107 G C -0.264 174.634 174.900 -0.005 0.000 1.301 1107 G CA -0.640 44.448 45.100 -0.020 0.000 0.816 1107 G HN 0.309 nan 8.290 nan 0.000 0.595 1108 E N -0.208 119.987 120.200 -0.009 0.000 2.072 1108 E HA 0.002 4.370 4.350 0.029 0.000 0.191 1108 E C 2.810 179.410 176.600 -0.000 0.000 0.985 1108 E CA 2.168 58.567 56.400 -0.001 0.000 0.801 1108 E CB -0.244 29.450 29.700 -0.011 0.000 0.750 1108 E HN 0.593 nan 8.360 nan 0.000 0.452 1109 T N -0.146 114.401 114.554 -0.013 0.000 2.622 1109 T HA -0.169 4.199 4.350 0.029 0.000 0.266 1109 T C 1.953 176.637 174.700 -0.027 0.000 1.047 1109 T CA 1.496 63.583 62.100 -0.022 0.000 1.159 1109 T CB -0.892 67.959 68.868 -0.029 0.000 0.863 1109 T HN 0.406 nan 8.240 nan 0.000 0.422 1110 G N 1.047 109.834 108.800 -0.021 0.000 2.446 1110 G HA2 -0.182 3.795 3.960 0.029 0.000 0.217 1110 G HA3 -0.182 3.795 3.960 0.029 0.000 0.217 1110 G C 1.670 176.579 174.900 0.015 0.000 1.168 1110 G CA 1.056 46.136 45.100 -0.033 0.000 0.771 1110 G HN 0.467 nan 8.290 nan 0.000 0.551 1111 V N 1.300 121.277 119.914 0.105 0.000 2.759 1111 V HA 0.033 4.171 4.120 0.029 0.000 0.256 1111 V C 3.032 179.246 176.094 0.200 0.000 1.080 1111 V CA 1.464 63.900 62.300 0.227 0.000 1.101 1111 V CB -0.495 31.376 31.823 0.080 0.000 0.698 1111 V HN 0.450 nan 8.190 nan 0.000 0.477 1112 A N 0.628 123.492 122.820 0.073 0.000 2.235 1112 A HA 0.190 4.527 4.320 0.029 0.000 0.208 1112 A C 2.223 179.798 177.584 -0.015 0.000 1.172 1112 A CA 1.056 53.116 52.037 0.038 0.000 0.786 1112 A CB -0.616 18.390 19.000 0.010 0.000 0.804 1112 A HN 0.501 nan 8.150 nan 0.000 0.479 1113 G N -0.675 108.060 108.800 -0.110 0.000 2.430 1113 G HA2 0.050 4.027 3.960 0.029 0.000 0.216 1113 G HA3 0.050 4.027 3.960 0.029 0.000 0.216 1113 G C 0.451 175.173 174.900 -0.297 0.000 1.146 1113 G CA 0.111 45.042 45.100 -0.281 0.000 0.793 1113 G HN 0.439 nan 8.290 nan 0.000 0.537 1114 F N 2.545 122.479 119.950 -0.026 0.000 2.659 1114 F HA 0.254 4.798 4.527 0.028 0.000 0.360 1114 F C 1.806 177.593 175.800 -0.023 0.000 1.218 1114 F CA -0.197 57.791 58.000 -0.019 0.000 1.317 1114 F CB -0.220 38.761 39.000 -0.031 0.000 1.697 1114 F HN -0.113 nan 8.300 nan 0.000 0.637 1115 T N -1.101 113.496 114.554 0.073 0.000 2.788 1115 T HA -0.188 4.179 4.350 0.029 0.000 0.268 1115 T C 2.001 176.730 174.700 0.048 0.000 1.044 1115 T CA 1.296 63.423 62.100 0.046 0.000 1.139 1115 T CB -0.062 68.812 68.868 0.011 0.000 0.867 1115 T HN 0.410 nan 8.240 nan 0.000 0.454 1116 N N 1.320 120.055 118.700 0.059 0.000 2.106 1116 N HA -0.026 4.732 4.740 0.029 0.000 0.188 1116 N C 2.235 177.766 175.510 0.036 0.000 1.029 1116 N CA 1.136 54.211 53.050 0.042 0.000 0.848 1116 N CB -0.462 38.053 38.487 0.047 0.000 1.007 1116 N HN 0.292 nan 8.380 nan 0.000 0.423 1117 S N 1.657 117.396 115.700 0.066 0.000 2.374 1117 S HA -0.062 4.425 4.470 0.029 0.000 0.227 1117 S C 2.184 176.767 174.600 -0.028 0.000 1.037 1117 S CA 0.911 59.115 58.200 0.007 0.000 1.024 1117 S CB -0.330 62.865 63.200 -0.007 0.000 0.861 1117 S HN 0.245 nan 8.310 nan 0.000 0.456 1118 L N 0.613 121.845 121.223 0.015 0.000 2.156 1118 L HA 0.016 4.373 4.340 0.029 0.000 0.208 1118 L C 2.631 179.504 176.870 0.005 0.000 1.095 1118 L CA 0.821 55.669 54.840 0.014 0.000 0.770 1118 L CB -0.381 41.706 42.059 0.046 0.000 0.914 1118 L HN 0.165 nan 8.230 nan 0.000 0.439 1119 R N 0.011 120.512 120.500 0.001 0.000 2.082 1119 R HA -0.160 4.198 4.340 0.029 0.000 0.234 1119 R C 2.299 178.573 176.300 -0.044 0.000 1.136 1119 R CA 1.776 57.867 56.100 -0.015 0.000 0.935 1119 R CB -0.364 29.928 30.300 -0.013 0.000 0.842 1119 R HN 0.292 nan 8.270 nan 0.000 0.430 1120 M N 0.257 119.825 119.600 -0.054 0.000 2.254 1120 M HA -0.076 4.421 4.480 0.029 0.000 0.265 1120 M C 2.129 178.334 176.300 -0.158 0.000 1.066 1120 M CA 1.187 56.427 55.300 -0.101 0.000 1.123 1120 M CB -0.040 32.513 32.600 -0.078 0.000 1.388 1120 M HN 0.145 nan 8.290 nan 0.000 0.425 1121 L N -0.157 121.015 121.223 -0.086 0.000 2.141 1121 L HA -0.198 4.159 4.340 0.029 0.000 0.209 1121 L C 2.540 179.377 176.870 -0.055 0.000 1.094 1121 L CA 1.211 56.038 54.840 -0.021 0.000 0.763 1121 L CB -0.513 41.598 42.059 0.087 0.000 0.908 1121 L HN 0.417 nan 8.230 nan 0.000 0.437 1122 Q N -0.170 119.602 119.800 -0.046 0.000 2.297 1122 Q HA -0.184 4.174 4.340 0.029 0.000 0.204 1122 Q C 1.712 177.651 176.000 -0.102 0.000 0.962 1122 Q CA 1.057 56.841 55.803 -0.031 0.000 0.879 1122 Q CB 0.271 29.003 28.738 -0.009 0.000 0.947 1122 Q HN 0.552 nan 8.270 nan 0.000 0.462 1123 Q N -0.849 118.841 119.800 -0.183 0.000 2.247 1123 Q HA 0.108 4.465 4.340 0.029 0.000 0.211 1123 Q C -0.266 175.511 176.000 -0.372 0.000 0.861 1123 Q CA 0.070 55.749 55.803 -0.208 0.000 0.949 1123 Q CB 0.799 29.442 28.738 -0.158 0.000 1.115 1123 Q HN 0.181 nan 8.270 nan 0.000 0.507 1124 K N -0.290 119.711 120.400 -0.666 0.000 3.512 1124 K HA -0.173 4.164 4.320 0.029 0.000 0.309 1124 K C -0.476 175.222 176.600 -1.503 0.000 1.350 1124 K CA 0.595 56.061 56.287 -1.369 0.000 0.960 1124 K CB -1.071 31.023 32.500 -0.676 0.000 1.290 1124 K HN 0.171 nan 8.250 nan 0.000 0.454 1125 R N 0.697 120.716 120.500 -0.802 0.000 3.701 1125 R HA 0.070 4.427 4.340 0.029 0.000 0.210 1125 R C 0.516 176.639 176.300 -0.295 0.000 1.598 1125 R CA -0.184 55.639 56.100 -0.462 0.000 1.427 1125 R CB -0.455 29.703 30.300 -0.237 0.000 1.339 1125 R HN 0.261 nan 8.270 nan 0.000 0.720 1126 W N 0.577 121.888 121.300 0.017 0.000 2.338 1126 W HA -0.172 4.506 4.660 0.030 0.000 0.304 1126 W C 1.354 177.892 176.519 0.030 0.000 1.212 1126 W CA 0.380 57.745 57.345 0.034 0.000 1.264 1126 W CB -0.098 29.390 29.460 0.048 0.000 1.142 1126 W HN 0.341 nan 8.180 nan 0.000 0.512 1127 D N 0.224 120.747 120.400 0.204 0.000 2.178 1127 D HA -0.138 4.520 4.640 0.029 0.000 0.202 1127 D C 1.966 178.311 176.300 0.075 0.000 0.974 1127 D CA 1.219 55.296 54.000 0.128 0.000 0.841 1127 D CB -0.211 40.645 40.800 0.092 0.000 0.953 1127 D HN 0.228 nan 8.370 nan 0.000 0.478 1128 E N 0.685 120.906 120.200 0.035 0.000 2.112 1128 E HA -0.002 4.365 4.350 0.029 0.000 0.190 1128 E C 2.108 178.720 176.600 0.019 0.000 0.979 1128 E CA 0.527 56.934 56.400 0.011 0.000 0.814 1128 E CB -0.367 29.317 29.700 -0.026 0.000 0.762 1128 E HN 0.172 nan 8.360 nan 0.000 0.460 1129 A N 1.782 124.615 122.820 0.021 0.000 1.933 1129 A HA -0.017 4.320 4.320 0.029 0.000 0.218 1129 A C 2.411 180.014 177.584 0.032 0.000 1.175 1129 A CA 1.802 53.845 52.037 0.011 0.000 0.628 1129 A CB -0.519 18.479 19.000 -0.003 0.000 0.814 1129 A HN 0.249 nan 8.150 nan 0.000 0.444 1130 A N -0.357 122.511 122.820 0.081 0.000 2.019 1130 A HA 0.048 4.385 4.320 0.029 0.000 0.219 1130 A C 2.145 179.783 177.584 0.091 0.000 1.164 1130 A CA 1.703 53.801 52.037 0.103 0.000 0.644 1130 A CB -0.749 18.330 19.000 0.133 0.000 0.805 1130 A HN 0.447 nan 8.150 nan 0.000 0.449 1131 V N 0.474 120.429 119.914 0.067 0.000 2.323 1131 V HA -0.210 3.928 4.120 0.029 0.000 0.244 1131 V C 2.138 178.267 176.094 0.058 0.000 1.041 1131 V CA 2.048 64.379 62.300 0.052 0.000 1.025 1131 V CB -1.090 30.753 31.823 0.034 0.000 0.656 1131 V HN 0.484 nan 8.190 nan 0.000 0.451 1132 N N 0.328 119.065 118.700 0.062 0.000 2.244 1132 N HA -0.018 4.739 4.740 0.029 0.000 0.183 1132 N C 1.688 177.277 175.510 0.133 0.000 1.016 1132 N CA 1.036 54.136 53.050 0.084 0.000 0.866 1132 N CB -0.426 38.106 38.487 0.075 0.000 0.980 1132 N HN 0.409 nan 8.380 nan 0.000 0.430 1133 L N -0.081 121.211 121.223 0.116 0.000 2.201 1133 L HA -0.018 4.340 4.340 0.029 0.000 0.212 1133 L C 2.150 179.163 176.870 0.239 0.000 1.105 1133 L CA 0.707 55.643 54.840 0.161 0.000 0.775 1133 L CB -0.313 41.824 42.059 0.130 0.000 0.913 1133 L HN 0.136 nan 8.230 nan 0.000 0.440 1134 A N 0.025 122.960 122.820 0.191 0.000 1.897 1134 A HA -0.120 4.217 4.320 0.029 0.000 0.215 1134 A C 1.425 179.031 177.584 0.035 0.000 1.181 1134 A CA 0.826 52.963 52.037 0.167 0.000 0.620 1134 A CB -0.222 18.797 19.000 0.033 0.000 0.821 1134 A HN 0.251 nan 8.150 nan 0.000 0.443 1135 K N 1.718 122.156 120.400 0.064 0.000 2.199 1135 K HA 0.205 4.543 4.320 0.029 0.000 0.226 1135 K C -0.489 176.211 176.600 0.166 0.000 1.237 1135 K CA 0.405 56.732 56.287 0.067 0.000 1.170 1135 K CB -0.404 32.131 32.500 0.058 0.000 1.418 1135 K HN 0.519 nan 8.250 nan 0.000 0.255 1136 S N -1.021 114.805 115.700 0.210 0.000 2.547 1136 S HA 0.259 4.746 4.470 0.029 0.000 0.270 1136 S C 0.335 175.123 174.600 0.314 0.000 1.150 1136 S CA -1.194 57.211 58.200 0.341 0.000 0.850 1136 S CB 1.762 65.309 63.200 0.579 0.000 1.118 1136 S HN 0.478 nan 8.310 nan 0.000 0.461 1137 R N 0.037 120.723 120.500 0.310 0.000 2.152 1137 R HA -0.037 4.321 4.340 0.029 0.000 0.232 1137 R C 1.648 178.156 176.300 0.347 0.000 1.117 1137 R CA 1.800 58.057 56.100 0.262 0.000 0.981 1137 R CB -0.366 30.056 30.300 0.205 0.000 0.870 1137 R HN 0.786 nan 8.270 nan 0.000 0.451 1138 W N 0.201 121.644 121.300 0.240 0.000 2.363 1138 W HA -0.240 4.437 4.660 0.027 0.000 0.296 1138 W C 1.519 178.137 176.519 0.165 0.000 1.212 1138 W CA 1.269 58.733 57.345 0.197 0.000 1.260 1138 W CB -0.792 28.782 29.460 0.191 0.000 1.131 1138 W HN 0.129 nan 8.180 nan 0.000 0.530 1139 Y N 1.549 121.814 120.300 -0.059 0.000 2.097 1139 Y HA -0.287 4.281 4.550 0.030 0.000 0.282 1139 Y C 2.557 178.395 175.900 -0.103 0.000 1.152 1139 Y CA 2.641 60.614 58.100 -0.212 0.000 1.136 1139 Y CB -1.224 37.171 38.460 -0.107 0.000 0.975 1139 Y HN 0.036 nan 8.280 nan 0.000 0.498 1140 N N -0.174 118.683 118.700 0.261 0.000 2.120 1140 N HA -0.219 4.538 4.740 0.029 0.000 0.188 1140 N C 1.889 177.466 175.510 0.112 0.000 1.024 1140 N CA 1.659 54.813 53.050 0.173 0.000 0.852 1140 N CB -0.312 38.254 38.487 0.131 0.000 1.003 1140 N HN 0.463 nan 8.380 nan 0.000 0.424 1141 Q N -0.781 119.092 119.800 0.121 0.000 2.020 1141 Q HA 0.018 4.375 4.340 0.029 0.000 0.198 1141 Q C -0.312 175.723 176.000 0.058 0.000 0.974 1141 Q CA 1.439 57.306 55.803 0.107 0.000 0.829 1141 Q CB 0.068 28.909 28.738 0.173 0.000 0.894 1141 Q HN 0.409 nan 8.270 nan 0.000 0.433 1142 T N -2.320 112.235 114.554 0.003 0.000 3.009 1142 T HA 0.383 4.750 4.350 0.029 0.000 0.346 1142 T C -2.473 172.072 174.700 -0.258 0.000 1.092 1142 T CA -1.663 60.399 62.100 -0.064 0.000 1.080 1142 T CB 1.613 70.499 68.868 0.031 0.000 1.037 1142 T HN 0.052 nan 8.240 nan 0.000 0.487 1143 P HA 0.057 nan 4.420 nan 0.000 0.217 1143 P C 1.188 178.229 177.300 -0.431 0.000 1.153 1143 P CA 0.686 63.518 63.100 -0.446 0.000 0.843 1143 P CB 0.231 31.793 31.700 -0.231 0.000 0.794 1144 N N -0.129 118.423 118.700 -0.247 0.000 2.120 1144 N HA -0.125 4.633 4.740 0.029 0.000 0.188 1144 N C 1.963 177.347 175.510 -0.211 0.000 1.024 1144 N CA 0.959 53.889 53.050 -0.200 0.000 0.852 1144 N CB -0.656 37.759 38.487 -0.120 0.000 1.003 1144 N HN 0.081 nan 8.380 nan 0.000 0.424 1145 R N 0.382 120.778 120.500 -0.174 0.000 2.062 1145 R HA 0.031 4.388 4.340 0.029 0.000 0.229 1145 R C 1.970 178.150 176.300 -0.200 0.000 1.128 1145 R CA 1.226 57.271 56.100 -0.092 0.000 0.960 1145 R CB -0.258 30.071 30.300 0.048 0.000 0.855 1145 R HN 0.186 nan 8.270 nan 0.000 0.432 1146 A N 1.996 124.501 122.820 -0.525 0.000 1.873 1146 A HA -0.273 4.064 4.320 0.029 0.000 0.218 1146 A C 2.090 179.335 177.584 -0.564 0.000 1.193 1146 A CA 1.943 53.400 52.037 -0.967 0.000 0.629 1146 A CB -0.741 17.406 19.000 -1.421 0.000 0.826 1146 A HN 0.447 nan 8.150 nan 0.000 0.447 1147 K N -0.401 119.688 120.400 -0.519 0.000 2.015 1147 K HA -0.265 4.072 4.320 0.029 0.000 0.216 1147 K C 2.261 178.755 176.600 -0.177 0.000 1.052 1147 K CA 1.992 58.090 56.287 -0.316 0.000 0.937 1147 K CB -0.338 31.997 32.500 -0.276 0.000 0.719 1147 K HN 0.472 nan 8.250 nan 0.000 0.446 1148 R N 0.145 120.530 120.500 -0.193 0.000 2.083 1148 R HA -0.121 4.236 4.340 0.029 0.000 0.237 1148 R C 2.425 178.758 176.300 0.055 0.000 1.137 1148 R CA 1.756 57.741 56.100 -0.192 0.000 0.951 1148 R CB -0.428 29.598 30.300 -0.456 0.000 0.851 1148 R HN 0.128 nan 8.270 nan 0.000 0.434 1149 V N 1.228 121.225 119.914 0.138 0.000 2.358 1149 V HA -0.220 3.917 4.120 0.029 0.000 0.246 1149 V C 2.267 178.530 176.094 0.281 0.000 1.047 1149 V CA 1.628 64.087 62.300 0.265 0.000 1.035 1149 V CB -0.395 31.708 31.823 0.466 0.000 0.658 1149 V HN 0.268 nan 8.190 nan 0.000 0.452 1150 I N 0.268 120.981 120.570 0.239 0.000 2.163 1150 I HA -0.265 3.922 4.170 0.029 0.000 0.243 1150 I C 2.588 178.829 176.117 0.207 0.000 1.085 1150 I CA 2.016 63.487 61.300 0.286 0.000 1.347 1150 I CB -0.648 37.423 38.000 0.118 0.000 1.044 1150 I HN 0.333 nan 8.210 nan 0.000 0.408 1151 T N -0.093 114.514 114.554 0.088 0.000 2.699 1151 T HA -0.202 4.165 4.350 0.029 0.000 0.268 1151 T C 1.844 176.541 174.700 -0.005 0.000 1.036 1151 T CA 2.093 64.217 62.100 0.040 0.000 1.147 1151 T CB -0.580 68.289 68.868 0.002 0.000 0.862 1151 T HN 0.400 nan 8.240 nan 0.000 0.446 1152 T N 1.704 116.235 114.554 -0.037 0.000 2.720 1152 T HA -0.061 4.306 4.350 0.029 0.000 0.268 1152 T C 1.587 176.090 174.700 -0.328 0.000 1.037 1152 T CA 1.101 63.061 62.100 -0.233 0.000 1.144 1152 T CB -0.552 68.137 68.868 -0.298 0.000 0.864 1152 T HN 0.292 nan 8.240 nan 0.000 0.444 1153 F N 1.291 121.170 119.950 -0.118 0.000 2.146 1153 F HA 0.049 4.594 4.527 0.030 0.000 0.298 1153 F C 2.618 178.342 175.800 -0.127 0.000 1.096 1153 F CA 0.802 58.730 58.000 -0.120 0.000 1.275 1153 F CB -0.414 38.614 39.000 0.048 0.000 1.008 1153 F HN -0.028 nan 8.300 nan 0.000 0.480 1154 R N -0.265 120.328 120.500 0.155 0.000 2.088 1154 R HA -0.171 4.186 4.340 0.029 0.000 0.232 1154 R C 2.404 178.700 176.300 -0.006 0.000 1.136 1154 R CA 2.483 58.662 56.100 0.131 0.000 0.926 1154 R CB -0.954 29.407 30.300 0.101 0.000 0.837 1154 R HN 0.415 nan 8.270 nan 0.000 0.429 1155 T N -4.078 110.420 114.554 -0.093 0.000 2.939 1155 T HA 0.131 4.498 4.350 0.029 0.000 0.254 1155 T C 1.465 175.996 174.700 -0.282 0.000 1.041 1155 T CA 0.942 62.962 62.100 -0.133 0.000 1.142 1155 T CB 0.378 69.186 68.868 -0.099 0.000 0.874 1155 T HN 0.475 nan 8.240 nan 0.000 0.452 1156 G N 1.357 109.925 108.800 -0.386 0.000 2.141 1156 G HA2 -0.157 3.820 3.960 0.029 0.000 0.231 1156 G HA3 -0.157 3.820 3.960 0.029 0.000 0.231 1156 G C 0.239 174.842 174.900 -0.496 0.000 0.984 1156 G CA 0.478 45.265 45.100 -0.522 0.000 0.660 1156 G HN 1.203 nan 8.290 nan 0.000 0.525 1157 T N -3.882 110.426 114.554 -0.410 0.000 2.926 1157 T HA 0.564 4.931 4.350 0.029 0.000 0.289 1157 T C 0.524 174.995 174.700 -0.383 0.000 1.054 1157 T CA -0.464 61.404 62.100 -0.387 0.000 1.015 1157 T CB 1.384 70.151 68.868 -0.170 0.000 1.167 1157 T HN 0.274 nan 8.240 nan 0.000 0.526 1158 W N 0.123 121.389 121.300 -0.057 0.000 3.405 1158 W HA 0.221 4.900 4.660 0.033 0.000 0.300 1158 W C 0.689 177.228 176.519 0.033 0.000 1.286 1158 W CA -0.505 56.835 57.345 -0.007 0.000 1.762 1158 W CB -0.293 29.147 29.460 -0.034 0.000 1.087 1158 W HN 0.728 nan 8.180 nan 0.000 0.703 1159 D N 0.633 121.113 120.400 0.134 0.000 2.311 1159 D HA -0.171 4.486 4.640 0.029 0.000 0.212 1159 D C 2.159 178.495 176.300 0.061 0.000 0.972 1159 D CA 1.350 55.391 54.000 0.069 0.000 0.887 1159 D CB -0.278 40.531 40.800 0.016 0.000 0.915 1159 D HN 0.177 nan 8.370 nan 0.000 0.497 1160 A N -1.119 121.752 122.820 0.086 0.000 2.169 1160 A HA 0.064 4.401 4.320 0.029 0.000 0.212 1160 A C 0.299 177.788 177.584 -0.158 0.000 1.153 1160 A CA 0.452 52.465 52.037 -0.041 0.000 0.756 1160 A CB -0.076 18.871 19.000 -0.089 0.000 0.813 1160 A HN 0.154 nan 8.150 nan 0.000 0.471 1161 Y N 0.000 120.339 120.300 0.064 0.000 2.660 1161 Y HA 0.000 4.568 4.550 0.030 0.000 0.201 1161 Y CA 0.000 58.123 58.100 0.039 0.000 1.940 1161 Y CB 0.000 38.514 38.460 0.090 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758