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 3abk_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.803 175.800 0.004 0.000 0.967 2 F CA 0.000 58.041 58.000 0.069 0.000 1.383 2 F CB 0.000 39.049 39.000 0.082 0.000 1.145 3 I N 1.947 122.559 120.570 0.070 0.000 2.127 3 I HA -0.338 3.832 4.170 -0.000 0.000 0.241 3 I C 1.807 177.564 176.117 -0.600 0.000 1.075 3 I CA 1.989 63.116 61.300 -0.289 0.000 1.334 3 I CB -0.561 37.218 38.000 -0.369 0.000 1.040 3 I HN 0.292 nan 8.210 nan 0.000 0.405 4 N N 0.499 118.936 118.700 -0.438 0.000 2.137 4 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 4 N C 1.884 177.248 175.510 -0.243 0.000 1.017 4 N CA 1.408 54.306 53.050 -0.254 0.000 0.859 4 N CB -0.476 37.975 38.487 -0.059 0.000 1.002 4 N HN 0.388 nan 8.380 nan 0.000 0.428 5 R N -0.948 119.328 120.500 -0.374 0.000 2.075 5 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 5 R C 1.370 177.213 176.300 -0.761 0.000 1.114 5 R CA 1.060 56.797 56.100 -0.605 0.000 0.972 5 R CB -0.084 29.715 30.300 -0.835 0.000 0.869 5 R HN 0.240 nan 8.270 nan 0.000 0.437 6 W N -1.044 120.029 121.300 -0.378 0.000 2.907 6 W HA 0.198 4.858 4.660 -0.000 0.000 0.271 6 W C 1.236 177.756 176.519 0.001 0.000 1.253 6 W CA -0.554 56.615 57.345 -0.295 0.000 1.501 6 W CB 0.378 29.477 29.460 -0.602 0.000 1.047 6 W HN 0.056 nan 8.180 nan 0.000 0.610 7 L N -1.470 119.781 121.223 0.047 0.000 2.357 7 L HA 0.160 4.500 4.340 -0.000 0.000 0.211 7 L C 1.035 178.073 176.870 0.280 0.000 1.075 7 L CA 1.116 55.989 54.840 0.055 0.000 0.830 7 L CB -0.570 41.291 42.059 -0.329 0.000 0.996 7 L HN -0.155 nan 8.230 nan 0.000 0.467 8 F N -1.148 118.799 119.950 -0.006 0.000 2.668 8 F HA 0.364 4.891 4.527 -0.000 0.000 0.297 8 F C 1.342 177.136 175.800 -0.009 0.000 1.124 8 F CA -1.052 56.938 58.000 -0.017 0.000 1.353 8 F CB -1.271 37.700 39.000 -0.048 0.000 0.992 8 F HN -0.181 nan 8.300 nan 0.000 0.524 9 S N 0.909 116.709 115.700 0.167 0.000 2.566 9 S HA 0.185 4.655 4.470 -0.000 0.000 0.280 9 S C 1.043 175.670 174.600 0.045 0.000 1.343 9 S CA 0.786 59.000 58.200 0.023 0.000 1.036 9 S CB 0.315 63.468 63.200 -0.079 0.000 0.866 9 S HN 0.493 nan 8.310 nan 0.000 0.526 10 T N 0.958 115.508 114.554 -0.007 0.000 3.672 10 T HA 0.297 4.647 4.350 -0.000 0.000 0.296 10 T C -0.486 174.168 174.700 -0.076 0.000 0.979 10 T CA -0.738 61.357 62.100 -0.008 0.000 1.013 10 T CB -0.584 68.300 68.868 0.026 0.000 1.184 10 T HN 0.544 nan 8.240 nan 0.000 0.477 11 N N 1.276 119.860 118.700 -0.194 0.000 2.372 11 N HA 0.170 4.910 4.740 -0.000 0.000 0.285 11 N C 1.082 176.354 175.510 -0.396 0.000 1.008 11 N CA -0.314 52.503 53.050 -0.389 0.000 0.880 11 N CB 1.588 39.598 38.487 -0.795 0.000 1.239 11 N HN 0.561 nan 8.380 nan 0.000 0.484 12 H N 3.518 122.347 119.070 -0.402 0.000 2.387 12 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 12 H C 0.990 175.938 175.328 -0.633 0.000 1.099 12 H CA 1.606 57.409 56.048 -0.409 0.000 1.315 12 H CB 0.280 29.841 29.762 -0.334 0.000 1.380 12 H HN 0.516 nan 8.280 nan 0.000 0.513 13 K N 0.058 119.553 120.400 -1.507 0.000 2.062 13 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 13 K C 1.601 177.484 176.600 -1.194 0.000 1.051 13 K CA 1.323 56.430 56.287 -1.967 0.000 0.941 13 K CB 0.103 31.381 32.500 -2.036 0.000 0.719 13 K HN 0.302 nan 8.250 nan 0.000 0.440 14 D N 0.991 120.957 120.400 -0.724 0.000 2.149 14 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 14 D C 1.840 178.029 176.300 -0.184 0.000 0.972 14 D CA 0.861 54.662 54.000 -0.330 0.000 0.835 14 D CB -0.067 40.386 40.800 -0.579 0.000 0.966 14 D HN 0.126 nan 8.370 nan 0.000 0.476 15 I N 0.652 121.048 120.570 -0.290 0.000 2.252 15 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 15 I C 2.482 178.572 176.117 -0.045 0.000 1.102 15 I CA 1.270 62.460 61.300 -0.183 0.000 1.385 15 I CB -0.399 37.553 38.000 -0.081 0.000 1.064 15 I HN 0.019 nan 8.210 nan 0.000 0.414 16 G N -0.070 108.634 108.800 -0.161 0.000 2.432 16 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 16 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 16 G C 1.658 176.638 174.900 0.132 0.000 1.135 16 G CA 1.357 46.444 45.100 -0.021 0.000 0.767 16 G HN 0.273 nan 8.290 nan 0.000 0.550 17 T N 1.177 115.796 114.554 0.109 0.000 2.737 17 T HA -0.004 4.346 4.350 -0.000 0.000 0.265 17 T C 2.428 177.176 174.700 0.080 0.000 1.038 17 T CA 0.769 63.017 62.100 0.248 0.000 1.144 17 T CB -0.214 68.863 68.868 0.348 0.000 0.866 17 T HN 0.149 nan 8.240 nan 0.000 0.434 18 L N -0.435 120.731 121.223 -0.094 0.000 2.042 18 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 18 L C 2.386 179.067 176.870 -0.315 0.000 1.076 18 L CA 1.650 56.222 54.840 -0.446 0.000 0.749 18 L CB -0.580 40.815 42.059 -1.107 0.000 0.893 18 L HN 0.312 nan 8.230 nan 0.000 0.432 19 Y N -0.354 119.844 120.300 -0.171 0.000 2.242 19 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 19 Y C 2.412 178.450 175.900 0.230 0.000 1.137 19 Y CA 1.081 59.280 58.100 0.166 0.000 1.181 19 Y CB -0.216 38.334 38.460 0.152 0.000 0.989 19 Y HN 0.063 nan 8.280 nan 0.000 0.527 20 L N -0.867 120.537 121.223 0.301 0.000 2.083 20 L HA -0.253 4.087 4.340 -0.000 0.000 0.209 20 L C 2.129 179.156 176.870 0.261 0.000 1.083 20 L CA 1.188 56.169 54.840 0.235 0.000 0.752 20 L CB -0.591 41.570 42.059 0.170 0.000 0.899 20 L HN 0.278 nan 8.230 nan 0.000 0.433 21 L N -1.571 119.788 121.223 0.226 0.000 2.093 21 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 21 L C 2.469 179.509 176.870 0.282 0.000 1.085 21 L CA 1.148 56.111 54.840 0.203 0.000 0.755 21 L CB -0.472 41.644 42.059 0.095 0.000 0.904 21 L HN 0.162 nan 8.230 nan 0.000 0.435 22 F N 0.677 120.759 119.950 0.221 0.000 2.113 22 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 22 F C 2.212 178.239 175.800 0.378 0.000 1.103 22 F CA 1.670 59.849 58.000 0.299 0.000 1.248 22 F CB -0.472 38.739 39.000 0.351 0.000 0.999 22 F HN -0.032 nan 8.300 nan 0.000 0.475 23 G N -0.531 108.565 108.800 0.495 0.000 2.421 23 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 23 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 23 G C 1.780 176.812 174.900 0.221 0.000 1.143 23 G CA 0.590 45.909 45.100 0.365 0.000 0.784 23 G HN 0.592 nan 8.290 nan 0.000 0.541 24 A N 0.147 123.090 122.820 0.205 0.000 1.902 24 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 24 A C 2.133 179.807 177.584 0.150 0.000 1.181 24 A CA 1.575 53.688 52.037 0.127 0.000 0.623 24 A CB -0.737 18.329 19.000 0.109 0.000 0.818 24 A HN 0.519 nan 8.150 nan 0.000 0.443 25 W N 0.455 121.752 121.300 -0.005 0.000 2.355 25 W HA -0.122 4.538 4.660 -0.000 0.000 0.309 25 W C 2.582 179.101 176.519 -0.000 0.000 1.206 25 W CA 2.339 59.665 57.345 -0.032 0.000 1.284 25 W CB -0.275 29.136 29.460 -0.083 0.000 1.145 25 W HN 0.369 nan 8.180 nan 0.000 0.502 26 A N 0.488 123.460 122.820 0.254 0.000 1.917 26 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 26 A C 2.205 179.847 177.584 0.097 0.000 1.182 26 A CA 2.215 54.393 52.037 0.234 0.000 0.633 26 A CB -1.734 17.354 19.000 0.146 0.000 0.819 26 A HN 0.435 nan 8.150 nan 0.000 0.448 27 G N -1.191 107.652 108.800 0.071 0.000 2.432 27 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 27 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 27 G C 1.447 176.339 174.900 -0.013 0.000 1.135 27 G CA 1.326 46.452 45.100 0.043 0.000 0.767 27 G HN 0.344 nan 8.290 nan 0.000 0.550 28 M N 0.573 120.111 119.600 -0.104 0.000 2.086 28 M HA -0.015 4.465 4.480 -0.000 0.000 0.261 28 M C 2.825 179.012 176.300 -0.189 0.000 1.067 28 M CA 0.707 55.898 55.300 -0.182 0.000 1.116 28 M CB -1.360 31.050 32.600 -0.315 0.000 1.348 28 M HN 0.113 nan 8.290 nan 0.000 0.407 29 V N 0.238 119.995 119.914 -0.261 0.000 2.332 29 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 29 V C 2.586 178.702 176.094 0.036 0.000 1.055 29 V CA 2.119 64.334 62.300 -0.141 0.000 1.038 29 V CB -1.877 29.912 31.823 -0.057 0.000 0.651 29 V HN 0.589 nan 8.190 nan 0.000 0.450 30 G N -1.034 107.818 108.800 0.085 0.000 2.421 30 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 30 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 30 G C 1.668 176.696 174.900 0.215 0.000 1.143 30 G CA 1.273 46.472 45.100 0.164 0.000 0.784 30 G HN 0.473 nan 8.290 nan 0.000 0.541 31 T N 1.550 116.168 114.554 0.107 0.000 2.770 31 T HA 0.087 4.437 4.350 -0.000 0.000 0.263 31 T C 2.859 177.584 174.700 0.042 0.000 1.039 31 T CA 1.295 63.446 62.100 0.084 0.000 1.142 31 T CB -0.332 68.556 68.868 0.034 0.000 0.868 31 T HN 0.328 nan 8.240 nan 0.000 0.435 32 A N 1.273 124.094 122.820 0.001 0.000 1.940 32 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 32 A C 2.271 179.867 177.584 0.019 0.000 1.176 32 A CA 1.326 53.354 52.037 -0.016 0.000 0.631 32 A CB -0.904 18.068 19.000 -0.047 0.000 0.814 32 A HN 0.476 nan 8.150 nan 0.000 0.446 33 L N 0.283 121.544 121.223 0.064 0.000 2.046 33 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 33 L C 3.067 179.920 176.870 -0.029 0.000 1.077 33 L CA 1.651 56.532 54.840 0.068 0.000 0.747 33 L CB -0.526 41.635 42.059 0.170 0.000 0.896 33 L HN 0.615 nan 8.230 nan 0.000 0.432 34 S N 0.012 115.671 115.700 -0.067 0.000 2.382 34 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 34 S C 1.983 176.531 174.600 -0.087 0.000 1.027 34 S CA 0.961 58.992 58.200 -0.281 0.000 0.991 34 S CB -0.717 62.395 63.200 -0.147 0.000 0.823 34 S HN 0.348 nan 8.310 nan 0.000 0.469 35 L N 0.570 121.789 121.223 -0.007 0.000 2.046 35 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 35 L C 2.689 179.614 176.870 0.091 0.000 1.077 35 L CA 1.123 55.995 54.840 0.053 0.000 0.747 35 L CB -0.542 41.521 42.059 0.007 0.000 0.896 35 L HN 0.314 nan 8.230 nan 0.000 0.432 36 L N -0.611 120.647 121.223 0.059 0.000 2.083 36 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 36 L C 2.436 179.379 176.870 0.122 0.000 1.083 36 L CA 1.247 56.138 54.840 0.084 0.000 0.752 36 L CB -0.311 41.783 42.059 0.057 0.000 0.899 36 L HN 0.219 nan 8.230 nan 0.000 0.433 37 I N -0.705 119.907 120.570 0.071 0.000 2.099 37 I HA -0.303 3.867 4.170 -0.000 0.000 0.239 37 I C 2.705 178.951 176.117 0.214 0.000 1.066 37 I CA 1.274 62.668 61.300 0.156 0.000 1.324 37 I CB -0.392 37.604 38.000 -0.007 0.000 1.037 37 I HN 0.224 nan 8.210 nan 0.000 0.401 38 R N 0.748 121.313 120.500 0.110 0.000 2.152 38 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 38 R C 2.237 178.594 176.300 0.095 0.000 1.117 38 R CA 1.352 57.503 56.100 0.085 0.000 0.981 38 R CB -0.510 29.806 30.300 0.027 0.000 0.870 38 R HN 0.417 nan 8.270 nan 0.000 0.451 39 A N 1.150 124.047 122.820 0.129 0.000 1.897 39 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 39 A C 2.073 179.712 177.584 0.090 0.000 1.181 39 A CA 1.400 53.502 52.037 0.108 0.000 0.620 39 A CB -0.285 18.803 19.000 0.148 0.000 0.821 39 A HN 0.243 nan 8.150 nan 0.000 0.443 40 E N 0.294 120.575 120.200 0.135 0.000 2.160 40 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 40 E C 1.517 178.139 176.600 0.037 0.000 0.991 40 E CA 1.387 57.844 56.400 0.095 0.000 0.810 40 E CB -0.333 29.480 29.700 0.188 0.000 0.742 40 E HN 0.586 nan 8.360 nan 0.000 0.466 41 L N -1.069 120.217 121.223 0.105 0.000 2.585 41 L HA 0.285 4.625 4.340 -0.000 0.000 0.226 41 L C 2.052 179.039 176.870 0.194 0.000 1.113 41 L CA 0.384 55.329 54.840 0.175 0.000 0.876 41 L CB 0.138 42.313 42.059 0.195 0.000 1.072 41 L HN 0.241 nan 8.230 nan 0.000 0.468 42 G N 0.201 109.051 108.800 0.083 0.000 2.598 42 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.215 42 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.215 42 G C 0.528 175.451 174.900 0.038 0.000 1.131 42 G CA 0.138 45.255 45.100 0.029 0.000 0.785 42 G HN 0.486 nan 8.290 nan 0.000 0.539 43 Q N -0.449 119.385 119.800 0.057 0.000 2.462 43 Q HA 0.515 4.855 4.340 -0.000 0.000 0.285 43 Q C -3.167 172.831 176.000 -0.003 0.000 1.035 43 Q CA -2.283 53.556 55.803 0.059 0.000 0.799 43 Q CB 2.211 30.949 28.738 0.000 0.000 1.452 43 Q HN -0.113 nan 8.270 nan 0.000 0.404 44 P HA 0.260 nan 4.420 nan 0.000 0.266 44 P C 0.349 177.525 177.300 -0.206 0.000 1.195 44 P CA 1.511 64.465 63.100 -0.243 0.000 0.768 44 P CB 0.498 32.153 31.700 -0.074 0.000 0.838 45 G N 0.710 109.348 108.800 -0.270 0.000 2.526 45 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.250 45 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.250 45 G C -1.049 173.747 174.900 -0.173 0.000 1.289 45 G CA -0.336 44.658 45.100 -0.176 0.000 0.947 45 G HN 0.724 nan 8.290 nan 0.000 0.517 46 T N -0.095 114.390 114.554 -0.115 0.000 2.797 46 T HA 0.554 4.904 4.350 -0.000 0.000 0.279 46 T C 1.083 175.752 174.700 -0.051 0.000 0.991 46 T CA 0.401 62.444 62.100 -0.094 0.000 0.979 46 T CB 1.322 70.145 68.868 -0.076 0.000 0.943 46 T HN 1.278 nan 8.240 nan 0.000 0.444 47 L N 5.373 126.579 121.223 -0.029 0.000 2.185 47 L HA 0.449 4.789 4.340 -0.000 0.000 0.198 47 L C 1.923 178.805 176.870 0.020 0.000 1.079 47 L CA 1.256 56.098 54.840 0.003 0.000 0.780 47 L CB -0.447 41.628 42.059 0.026 0.000 0.955 47 L HN 0.725 nan 8.230 nan 0.000 0.462 48 L N -0.268 120.978 121.223 0.038 0.000 2.179 48 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 48 L C 1.612 178.504 176.870 0.037 0.000 1.096 48 L CA 0.831 55.704 54.840 0.056 0.000 0.779 48 L CB -0.835 41.286 42.059 0.104 0.000 0.922 48 L HN 0.597 nan 8.230 nan 0.000 0.443 49 G N 0.272 109.082 108.800 0.016 0.000 2.153 49 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 49 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 49 G C -0.045 174.864 174.900 0.016 0.000 0.994 49 G CA 0.512 45.615 45.100 0.005 0.000 0.698 49 G HN 0.428 nan 8.290 nan 0.000 0.521 50 D N -0.425 119.997 120.400 0.036 0.000 2.351 50 D HA 0.271 4.911 4.640 -0.000 0.000 0.235 50 D C 0.493 176.848 176.300 0.091 0.000 1.331 50 D CA -0.449 53.582 54.000 0.052 0.000 0.959 50 D CB 0.386 41.220 40.800 0.058 0.000 1.432 50 D HN -0.031 nan 8.370 nan 0.000 0.544 51 D N 1.602 122.046 120.400 0.072 0.000 2.277 51 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 51 D C 1.621 178.023 176.300 0.170 0.000 0.962 51 D CA 0.589 54.660 54.000 0.118 0.000 0.865 51 D CB 0.507 41.324 40.800 0.028 0.000 0.939 51 D HN 0.407 nan 8.370 nan 0.000 0.510 52 Q N 1.185 121.054 119.800 0.115 0.000 2.061 52 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 52 Q C 2.102 178.186 176.000 0.140 0.000 0.984 52 Q CA 1.243 57.119 55.803 0.121 0.000 0.846 52 Q CB -0.412 28.374 28.738 0.080 0.000 0.902 52 Q HN 0.302 nan 8.270 nan 0.000 0.421 53 I N -0.398 120.250 120.570 0.130 0.000 2.226 53 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 53 I C 2.108 178.309 176.117 0.140 0.000 1.100 53 I CA 1.487 62.861 61.300 0.123 0.000 1.374 53 I CB -0.514 37.553 38.000 0.111 0.000 1.057 53 I HN 0.312 nan 8.210 nan 0.000 0.413 54 Y N 2.480 122.821 120.300 0.069 0.000 2.114 54 Y HA -0.339 4.211 4.550 -0.000 0.000 0.282 54 Y C 2.411 178.369 175.900 0.096 0.000 1.165 54 Y CA 1.995 60.141 58.100 0.076 0.000 1.148 54 Y CB -0.260 38.239 38.460 0.065 0.000 0.972 54 Y HN 0.211 nan 8.280 nan 0.000 0.504 55 N N -0.185 118.591 118.700 0.125 0.000 2.188 55 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 55 N C 1.956 177.471 175.510 0.007 0.000 1.018 55 N CA 1.572 54.663 53.050 0.068 0.000 0.858 55 N CB -0.700 37.890 38.487 0.173 0.000 0.989 55 N HN 0.312 nan 8.380 nan 0.000 0.426 56 V N 0.774 120.721 119.914 0.055 0.000 2.332 56 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 56 V C 2.411 178.530 176.094 0.042 0.000 1.055 56 V CA 1.107 63.451 62.300 0.072 0.000 1.038 56 V CB -0.497 31.387 31.823 0.101 0.000 0.651 56 V HN 0.064 nan 8.190 nan 0.000 0.450 57 V N -0.353 119.546 119.914 -0.025 0.000 2.287 57 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 57 V C 2.406 178.470 176.094 -0.050 0.000 1.053 57 V CA 2.163 64.436 62.300 -0.045 0.000 1.027 57 V CB -0.398 31.358 31.823 -0.111 0.000 0.646 57 V HN 0.414 nan 8.190 nan 0.000 0.447 58 V N -0.411 119.394 119.914 -0.181 0.000 2.358 58 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 58 V C 2.542 178.654 176.094 0.030 0.000 1.047 58 V CA 2.504 64.748 62.300 -0.093 0.000 1.035 58 V CB -0.897 30.815 31.823 -0.184 0.000 0.658 58 V HN 0.630 nan 8.190 nan 0.000 0.452 59 T N 0.590 115.145 114.554 0.002 0.000 2.652 59 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 59 T C 2.028 176.746 174.700 0.031 0.000 1.039 59 T CA 1.859 63.946 62.100 -0.022 0.000 1.153 59 T CB -0.435 68.459 68.868 0.044 0.000 0.863 59 T HN 0.572 nan 8.240 nan 0.000 0.428 60 A N 0.914 123.836 122.820 0.170 0.000 1.929 60 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 60 A C 1.982 179.697 177.584 0.219 0.000 1.176 60 A CA 2.048 54.254 52.037 0.282 0.000 0.628 60 A CB -0.888 18.270 19.000 0.263 0.000 0.816 60 A HN 0.714 nan 8.150 nan 0.000 0.444 61 H N 0.434 119.545 119.070 0.068 0.000 2.290 61 H HA -0.054 4.502 4.556 -0.000 0.000 0.298 61 H C 2.081 177.410 175.328 0.002 0.000 1.087 61 H CA 2.374 58.453 56.048 0.052 0.000 1.291 61 H CB -0.381 29.401 29.762 0.033 0.000 1.369 61 H HN 0.349 nan 8.280 nan 0.000 0.492 62 A N 0.114 122.764 122.820 -0.284 0.000 1.858 62 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 62 A C 2.256 179.618 177.584 -0.370 0.000 1.190 62 A CA 1.521 53.231 52.037 -0.545 0.000 0.617 62 A CB -1.161 17.435 19.000 -0.673 0.000 0.827 62 A HN 0.456 nan 8.150 nan 0.000 0.443 63 F N -0.022 119.895 119.950 -0.055 0.000 2.095 63 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 63 F C 2.524 178.263 175.800 -0.103 0.000 1.104 63 F CA 1.313 59.337 58.000 0.039 0.000 1.232 63 F CB -1.010 38.038 39.000 0.080 0.000 0.987 63 F HN 0.030 nan 8.300 nan 0.000 0.475 64 V N -0.395 119.618 119.914 0.165 0.000 2.307 64 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 64 V C 2.490 178.583 176.094 -0.002 0.000 1.045 64 V CA 1.423 63.823 62.300 0.167 0.000 1.024 64 V CB -0.482 31.495 31.823 0.256 0.000 0.651 64 V HN 0.223 nan 8.190 nan 0.000 0.449 65 M N -0.983 118.544 119.600 -0.122 0.000 2.159 65 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 65 M C 2.131 178.303 176.300 -0.212 0.000 1.063 65 M CA 1.996 57.195 55.300 -0.169 0.000 1.110 65 M CB -0.845 31.570 32.600 -0.308 0.000 1.374 65 M HN 0.294 nan 8.290 nan 0.000 0.411 66 I N -1.441 118.930 120.570 -0.331 0.000 2.296 66 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 66 I C 1.918 177.725 176.117 -0.517 0.000 1.087 66 I CA 1.093 62.083 61.300 -0.516 0.000 1.393 66 I CB -0.208 37.315 38.000 -0.794 0.000 1.093 66 I HN 0.047 nan 8.210 nan 0.000 0.421 67 F N -0.637 119.107 119.950 -0.344 0.000 2.619 67 F HA 0.040 4.567 4.527 -0.000 0.000 0.293 67 F C 1.643 177.231 175.800 -0.355 0.000 1.119 67 F CA 0.768 58.494 58.000 -0.457 0.000 1.445 67 F CB 0.015 38.539 39.000 -0.793 0.000 1.119 67 F HN -0.058 nan 8.300 nan 0.000 0.573 68 F N -2.398 117.648 119.950 0.160 0.000 2.717 68 F HA 0.198 4.725 4.527 -0.000 0.000 0.297 68 F C 1.889 177.813 175.800 0.206 0.000 1.113 68 F CA 0.053 58.167 58.000 0.190 0.000 1.319 68 F CB -0.354 38.468 39.000 -0.297 0.000 1.097 68 F HN -0.111 nan 8.300 nan 0.000 0.595 69 M N -0.517 119.225 119.600 0.237 0.000 2.969 69 M HA 0.097 4.577 4.480 -0.000 0.000 0.234 69 M C 2.030 178.423 176.300 0.155 0.000 1.409 69 M CA 1.124 56.539 55.300 0.191 0.000 1.314 69 M CB -0.463 32.198 32.600 0.102 0.000 1.130 69 M HN -0.089 nan 8.290 nan 0.000 0.558 70 V N 1.556 121.499 119.914 0.047 0.000 2.295 70 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 70 V C 2.519 178.650 176.094 0.062 0.000 1.049 70 V CA 1.976 64.296 62.300 0.034 0.000 1.024 70 V CB -0.672 31.113 31.823 -0.063 0.000 0.648 70 V HN 0.499 nan 8.190 nan 0.000 0.447 71 M N -0.615 118.997 119.600 0.021 0.000 2.123 71 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 71 M C -0.076 176.288 176.300 0.106 0.000 1.069 71 M CA 2.024 57.340 55.300 0.027 0.000 1.133 71 M CB -1.471 31.118 32.600 -0.019 0.000 1.356 71 M HN 0.273 nan 8.290 nan 0.000 0.415 72 P HA -0.130 nan 4.420 nan 0.000 0.215 72 P C 1.358 178.804 177.300 0.244 0.000 1.153 72 P CA 1.401 64.699 63.100 0.330 0.000 0.853 72 P CB -0.132 31.953 31.700 0.641 0.000 0.788 73 I N -2.136 118.594 120.570 0.267 0.000 2.163 73 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 73 I C 2.507 178.801 176.117 0.295 0.000 1.081 73 I CA 1.577 63.028 61.300 0.251 0.000 1.353 73 I CB -0.395 37.778 38.000 0.288 0.000 1.054 73 I HN -0.117 nan 8.210 nan 0.000 0.407 74 M N -0.330 119.444 119.600 0.290 0.000 2.123 74 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 74 M C 2.171 178.609 176.300 0.230 0.000 1.069 74 M CA 1.985 57.499 55.300 0.356 0.000 1.133 74 M CB -0.059 32.661 32.600 0.200 0.000 1.356 74 M HN 0.162 nan 8.290 nan 0.000 0.415 75 I N -1.406 119.183 120.570 0.032 0.000 2.512 75 I HA 0.023 4.193 4.170 -0.000 0.000 0.247 75 I C 2.504 178.527 176.117 -0.158 0.000 1.094 75 I CA 0.902 62.118 61.300 -0.140 0.000 1.427 75 I CB -0.691 37.204 38.000 -0.175 0.000 1.149 75 I HN 0.263 nan 8.210 nan 0.000 0.438 76 G N 0.359 108.935 108.800 -0.372 0.000 2.402 76 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 76 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 76 G C 1.588 176.191 174.900 -0.494 0.000 1.162 76 G CA 0.888 45.343 45.100 -1.074 0.000 0.777 76 G HN 0.475 nan 8.290 nan 0.000 0.539 77 G N 0.283 108.991 108.800 -0.153 0.000 2.557 77 G HA2 0.103 4.063 3.960 -0.000 0.000 0.213 77 G HA3 0.103 4.063 3.960 -0.000 0.000 0.213 77 G C 1.524 176.398 174.900 -0.043 0.000 1.221 77 G CA 0.315 45.398 45.100 -0.029 0.000 0.832 77 G HN 0.276 nan 8.290 nan 0.000 0.556 78 F N 1.925 121.963 119.950 0.146 0.000 2.161 78 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 78 F C 2.876 178.808 175.800 0.219 0.000 1.089 78 F CA 0.949 59.013 58.000 0.107 0.000 1.282 78 F CB -0.382 38.614 39.000 -0.007 0.000 1.010 78 F HN 0.224 nan 8.300 nan 0.000 0.485 79 G N -0.055 108.969 108.800 0.372 0.000 2.453 79 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.215 79 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.215 79 G C 1.411 176.600 174.900 0.481 0.000 1.201 79 G CA 1.224 46.493 45.100 0.282 0.000 0.784 79 G HN 0.327 nan 8.290 nan 0.000 0.545 80 N N -0.521 118.422 118.700 0.405 0.000 2.069 80 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 80 N C 1.903 177.521 175.510 0.181 0.000 1.031 80 N CA 1.296 54.477 53.050 0.218 0.000 0.852 80 N CB -0.215 38.309 38.487 0.062 0.000 1.018 80 N HN 0.570 nan 8.380 nan 0.000 0.423 81 W N 0.905 122.181 121.300 -0.040 0.000 2.335 81 W HA -0.049 4.611 4.660 -0.000 0.000 0.311 81 W C 1.742 178.270 176.519 0.015 0.000 1.213 81 W CA 0.827 58.064 57.345 -0.180 0.000 1.274 81 W CB -0.139 28.884 29.460 -0.729 0.000 1.148 81 W HN 0.063 nan 8.180 nan 0.000 0.498 82 L N -1.786 119.615 121.223 0.298 0.000 2.253 82 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 82 L C 2.057 179.046 176.870 0.199 0.000 1.078 82 L CA 0.128 55.070 54.840 0.170 0.000 0.805 82 L CB -1.016 40.987 42.059 -0.093 0.000 0.963 82 L HN -0.206 nan 8.230 nan 0.000 0.459 83 V N 0.953 121.015 119.914 0.247 0.000 2.261 83 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 83 V C -0.293 175.806 176.094 0.009 0.000 1.047 83 V CA 2.148 64.540 62.300 0.155 0.000 1.015 83 V CB -1.383 30.565 31.823 0.208 0.000 0.642 83 V HN 0.304 nan 8.190 nan 0.000 0.446 84 P HA -0.077 nan 4.420 nan 0.000 0.217 84 P C 1.906 179.097 177.300 -0.182 0.000 1.151 84 P CA 1.193 64.124 63.100 -0.281 0.000 0.828 84 P CB -0.048 31.228 31.700 -0.706 0.000 0.788 85 L N -1.814 119.419 121.223 0.016 0.000 2.079 85 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 85 L C 2.396 179.308 176.870 0.069 0.000 1.081 85 L CA 1.622 56.587 54.840 0.208 0.000 0.752 85 L CB -0.822 41.431 42.059 0.323 0.000 0.896 85 L HN 0.013 nan 8.230 nan 0.000 0.433 86 M N -0.381 119.259 119.600 0.068 0.000 2.562 86 M HA -0.044 4.436 4.480 -0.000 0.000 0.257 86 M C 1.702 178.011 176.300 0.015 0.000 1.099 86 M CA 1.156 56.521 55.300 0.109 0.000 1.099 86 M CB 0.109 32.824 32.600 0.191 0.000 1.427 86 M HN 0.353 nan 8.290 nan 0.000 0.489 87 I N -4.648 115.855 120.570 -0.111 0.000 4.025 87 I HA 0.477 4.647 4.170 -0.000 0.000 0.336 87 I C 0.926 176.831 176.117 -0.353 0.000 1.390 87 I CA 0.057 61.251 61.300 -0.177 0.000 1.099 87 I CB 0.027 37.932 38.000 -0.158 0.000 1.049 87 I HN 0.267 nan 8.210 nan 0.000 0.394 88 G N 1.841 110.236 108.800 -0.674 0.000 2.160 88 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.251 88 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.251 88 G C 0.256 174.578 174.900 -0.963 0.000 1.008 88 G CA 0.120 44.377 45.100 -1.405 0.000 0.724 88 G HN 0.942 nan 8.290 nan 0.000 0.514 89 A N 0.028 122.506 122.820 -0.571 0.000 2.295 89 A HA 0.883 5.203 4.320 -0.000 0.000 0.318 89 A C -0.348 177.151 177.584 -0.141 0.000 1.134 89 A CA -0.920 50.944 52.037 -0.289 0.000 0.827 89 A CB 1.250 20.087 19.000 -0.273 0.000 1.136 89 A HN 0.086 nan 8.150 nan 0.000 0.493 90 P HA 0.067 nan 4.420 nan 0.000 0.235 90 P C -0.017 177.265 177.300 -0.029 0.000 1.177 90 P CA 0.942 64.062 63.100 0.034 0.000 0.785 90 P CB 0.468 32.177 31.700 0.014 0.000 0.885 91 D N -2.656 117.639 120.400 -0.174 0.000 3.024 91 D HA 0.116 4.756 4.640 -0.000 0.000 0.354 91 D C -0.598 175.504 176.300 -0.331 0.000 1.431 91 D CA -0.470 53.382 54.000 -0.247 0.000 0.842 91 D CB 0.409 41.168 40.800 -0.069 0.000 1.437 91 D HN -0.340 nan 8.370 nan 0.000 0.507 92 M N 0.902 120.320 119.600 -0.302 0.000 2.114 92 M HA 0.318 4.798 4.480 -0.000 0.000 0.293 92 M C 1.301 177.382 176.300 -0.364 0.000 1.201 92 M CA 0.146 55.230 55.300 -0.360 0.000 1.107 92 M CB 0.315 32.699 32.600 -0.360 0.000 1.405 92 M HN 0.606 nan 8.290 nan 0.000 0.486 93 A N 0.847 123.347 122.820 -0.533 0.000 1.930 93 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 93 A C 0.490 177.649 177.584 -0.709 0.000 1.175 93 A CA 1.428 53.005 52.037 -0.767 0.000 0.627 93 A CB -0.192 18.028 19.000 -1.300 0.000 0.815 93 A HN 0.567 nan 8.150 nan 0.000 0.443 94 F N -0.616 119.264 119.950 -0.117 0.000 2.449 94 F HA 0.363 4.890 4.527 -0.000 0.000 0.344 94 F C -2.046 173.706 175.800 -0.081 0.000 1.180 94 F CA -2.944 55.005 58.000 -0.083 0.000 1.209 94 F CB 0.994 39.951 39.000 -0.070 0.000 1.440 94 F HN 0.059 nan 8.300 nan 0.000 0.526 95 P HA -0.118 nan 4.420 nan 0.000 0.223 95 P C 1.753 179.072 177.300 0.031 0.000 1.151 95 P CA 1.095 64.189 63.100 -0.010 0.000 0.787 95 P CB 0.359 32.046 31.700 -0.023 0.000 0.788 96 R N -0.698 119.838 120.500 0.061 0.000 2.090 96 R HA 0.144 4.484 4.340 -0.000 0.000 0.219 96 R C 2.327 178.671 176.300 0.074 0.000 1.100 96 R CA 0.551 56.685 56.100 0.058 0.000 0.991 96 R CB -0.619 29.703 30.300 0.038 0.000 0.893 96 R HN 0.022 nan 8.270 nan 0.000 0.443 97 M N 1.052 120.702 119.600 0.084 0.000 2.149 97 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 97 M C 1.905 178.265 176.300 0.100 0.000 1.064 97 M CA 1.870 57.216 55.300 0.077 0.000 1.102 97 M CB -0.373 32.266 32.600 0.065 0.000 1.369 97 M HN 0.314 nan 8.290 nan 0.000 0.408 98 N N 0.044 118.802 118.700 0.096 0.000 2.091 98 N HA -0.272 4.468 4.740 -0.000 0.000 0.193 98 N C 1.410 177.005 175.510 0.141 0.000 1.021 98 N CA 1.770 54.873 53.050 0.089 0.000 0.862 98 N CB -0.155 38.342 38.487 0.016 0.000 1.018 98 N HN 0.382 nan 8.380 nan 0.000 0.429 99 N N 0.595 119.377 118.700 0.137 0.000 2.331 99 N HA -0.072 4.668 4.740 -0.000 0.000 0.180 99 N C 1.710 177.382 175.510 0.271 0.000 1.019 99 N CA 0.605 53.777 53.050 0.203 0.000 0.881 99 N CB -0.111 38.521 38.487 0.241 0.000 0.972 99 N HN 0.328 nan 8.380 nan 0.000 0.435 100 M N -0.561 119.156 119.600 0.194 0.000 2.175 100 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 100 M C 1.685 178.052 176.300 0.111 0.000 1.063 100 M CA 1.126 56.525 55.300 0.166 0.000 1.119 100 M CB 0.005 32.665 32.600 0.101 0.000 1.377 100 M HN 0.036 nan 8.290 nan 0.000 0.415 101 S N 0.491 116.264 115.700 0.121 0.000 2.383 101 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 101 S C 1.465 176.075 174.600 0.017 0.000 1.030 101 S CA 1.459 59.738 58.200 0.131 0.000 1.002 101 S CB -0.625 62.718 63.200 0.237 0.000 0.829 101 S HN 0.580 nan 8.310 nan 0.000 0.467 102 F N 1.158 120.986 119.950 -0.203 0.000 2.026 102 F HA -0.135 4.392 4.527 -0.000 0.000 0.296 102 F C 1.751 177.171 175.800 -0.634 0.000 1.133 102 F CA 1.322 58.832 58.000 -0.817 0.000 1.188 102 F CB -0.798 37.554 39.000 -1.079 0.000 0.968 102 F HN 0.229 nan 8.300 nan 0.000 0.476 103 W N 0.442 121.508 121.300 -0.390 0.000 2.611 103 W HA -0.031 4.629 4.660 -0.000 0.000 0.251 103 W C 2.069 178.387 176.519 -0.336 0.000 1.265 103 W CA 0.282 57.389 57.345 -0.397 0.000 1.295 103 W CB -0.391 29.035 29.460 -0.057 0.000 1.129 103 W HN 0.083 nan 8.180 nan 0.000 0.630 104 L N -0.303 120.857 121.223 -0.106 0.000 2.217 104 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 104 L C 2.216 179.001 176.870 -0.142 0.000 1.107 104 L CA 0.744 55.547 54.840 -0.061 0.000 0.783 104 L CB -0.604 41.450 42.059 -0.008 0.000 0.919 104 L HN 0.053 nan 8.230 nan 0.000 0.442 105 L N -0.249 120.725 121.223 -0.414 0.000 1.989 105 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 105 L C -0.076 176.648 176.870 -0.243 0.000 1.071 105 L CA 1.599 56.145 54.840 -0.489 0.000 0.749 105 L CB -2.122 39.291 42.059 -1.077 0.000 0.890 105 L HN 0.200 nan 8.230 nan 0.000 0.431 106 P HA -0.144 nan 4.420 nan 0.000 0.216 106 P C -1.325 176.033 177.300 0.096 0.000 1.157 106 P CA 1.832 65.004 63.100 0.119 0.000 0.880 106 P CB -0.924 30.859 31.700 0.139 0.000 0.791 107 P HA -0.114 nan 4.420 nan 0.000 0.217 107 P C 1.860 179.213 177.300 0.090 0.000 1.150 107 P CA 1.590 64.728 63.100 0.064 0.000 0.832 107 P CB -0.446 31.283 31.700 0.048 0.000 0.787 108 S N -1.643 114.114 115.700 0.096 0.000 2.368 108 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 108 S C 1.775 176.480 174.600 0.175 0.000 1.030 108 S CA 1.030 59.334 58.200 0.172 0.000 0.999 108 S CB -1.066 62.304 63.200 0.284 0.000 0.844 108 S HN 0.064 nan 8.310 nan 0.000 0.459 109 F N 0.746 120.553 119.950 -0.238 0.000 2.259 109 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 109 F C 1.992 177.733 175.800 -0.099 0.000 1.088 109 F CA 0.567 58.278 58.000 -0.482 0.000 1.358 109 F CB -0.058 38.601 39.000 -0.568 0.000 1.040 109 F HN 0.284 nan 8.300 nan 0.000 0.505 110 L N 0.897 122.206 121.223 0.143 0.000 2.042 110 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 110 L C 1.897 178.837 176.870 0.116 0.000 1.076 110 L CA 1.850 56.733 54.840 0.071 0.000 0.749 110 L CB -0.786 41.297 42.059 0.041 0.000 0.893 110 L HN 0.148 nan 8.230 nan 0.000 0.432 111 L N -1.537 119.770 121.223 0.140 0.000 2.141 111 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 111 L C 2.389 179.358 176.870 0.166 0.000 1.094 111 L CA 0.711 55.636 54.840 0.142 0.000 0.763 111 L CB -0.560 41.589 42.059 0.151 0.000 0.908 111 L HN 0.331 nan 8.230 nan 0.000 0.437 112 L N -0.379 120.983 121.223 0.233 0.000 2.072 112 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 112 L C 2.295 179.318 176.870 0.255 0.000 1.079 112 L CA 1.580 56.579 54.840 0.265 0.000 0.752 112 L CB -0.288 42.044 42.059 0.455 0.000 0.906 112 L HN 0.090 nan 8.230 nan 0.000 0.436 113 L N -0.685 120.688 121.223 0.250 0.000 2.042 113 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 113 L C 2.665 179.609 176.870 0.124 0.000 1.076 113 L CA 1.283 56.222 54.840 0.165 0.000 0.749 113 L CB -0.973 41.130 42.059 0.074 0.000 0.893 113 L HN 0.370 nan 8.230 nan 0.000 0.432 114 A N -0.649 122.238 122.820 0.112 0.000 1.933 114 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 114 A C 2.547 180.192 177.584 0.102 0.000 1.175 114 A CA 1.967 54.060 52.037 0.095 0.000 0.628 114 A CB -0.702 18.350 19.000 0.086 0.000 0.814 114 A HN 0.439 nan 8.150 nan 0.000 0.444 115 S N 0.564 116.334 115.700 0.116 0.000 2.383 115 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 115 S C 2.138 176.806 174.600 0.113 0.000 1.030 115 S CA 2.296 60.562 58.200 0.109 0.000 1.002 115 S CB -0.560 62.702 63.200 0.104 0.000 0.829 115 S HN 0.901 nan 8.310 nan 0.000 0.467 116 S N -0.117 115.658 115.700 0.125 0.000 2.496 116 S HA 0.191 4.661 4.470 -0.000 0.000 0.224 116 S C 1.761 176.420 174.600 0.099 0.000 0.996 116 S CA 0.312 58.584 58.200 0.121 0.000 0.927 116 S CB -0.164 63.117 63.200 0.136 0.000 0.774 116 S HN 0.408 nan 8.310 nan 0.000 0.524 117 M N 1.935 121.588 119.600 0.089 0.000 2.466 117 M HA 0.293 4.773 4.480 -0.000 0.000 0.265 117 M C 0.899 177.239 176.300 0.068 0.000 1.122 117 M CA 0.357 55.700 55.300 0.072 0.000 1.157 117 M CB -0.370 32.268 32.600 0.064 0.000 1.352 117 M HN 0.380 nan 8.290 nan 0.000 0.464 118 V N -0.917 119.040 119.914 0.073 0.000 2.785 118 V HA 0.392 4.512 4.120 -0.000 0.000 0.300 118 V C 0.827 176.964 176.094 0.073 0.000 1.062 118 V CA -1.005 61.335 62.300 0.067 0.000 1.029 118 V CB 1.090 32.954 31.823 0.069 0.000 1.024 118 V HN 0.525 nan 8.190 nan 0.000 0.477 119 E N 2.246 122.485 120.200 0.064 0.000 3.401 119 E HA -0.338 4.012 4.350 -0.000 0.000 0.352 119 E C 0.868 177.510 176.600 0.068 0.000 1.523 119 E CA 2.029 58.467 56.400 0.064 0.000 1.794 119 E CB -1.603 28.142 29.700 0.075 0.000 1.792 119 E HN 1.558 nan 8.360 nan 0.000 0.471 120 A N 1.444 124.313 122.820 0.081 0.000 2.574 120 A HA 0.528 4.848 4.320 -0.000 0.000 0.283 120 A C 0.833 178.490 177.584 0.122 0.000 1.270 120 A CA 1.459 53.548 52.037 0.086 0.000 0.945 120 A CB -0.078 18.961 19.000 0.064 0.000 1.127 120 A HN 1.395 nan 8.150 nan 0.000 0.522 121 G N -1.052 107.826 108.800 0.128 0.000 2.782 121 G HA2 0.327 4.287 3.960 -0.000 0.000 0.228 121 G HA3 0.327 4.287 3.960 -0.000 0.000 0.228 121 G C 0.056 175.058 174.900 0.171 0.000 1.372 121 G CA -0.340 44.843 45.100 0.139 0.000 0.862 121 G HN 1.768 nan 8.290 nan 0.000 0.547 122 A N 0.216 123.105 122.820 0.115 0.000 2.540 122 A HA 0.741 5.061 4.320 -0.000 0.000 0.340 122 A C 0.815 178.403 177.584 0.007 0.000 1.424 122 A CA 0.828 52.861 52.037 -0.006 0.000 0.940 122 A CB 0.348 19.343 19.000 -0.009 0.000 1.149 122 A HN 2.308 nan 8.150 nan 0.000 0.505 123 G N 1.512 110.387 108.800 0.125 0.000 3.506 123 G HA2 0.368 4.328 3.960 -0.000 0.000 0.268 123 G HA3 0.368 4.328 3.960 -0.000 0.000 0.268 123 G C 0.716 175.660 174.900 0.072 0.000 0.959 123 G CA 0.537 45.736 45.100 0.164 0.000 1.823 123 G HN 0.774 nan 8.290 nan 0.000 0.615 124 T N -2.439 112.071 114.554 -0.074 0.000 2.959 124 T HA 0.496 4.846 4.350 -0.000 0.000 0.254 124 T C 1.156 175.787 174.700 -0.114 0.000 1.003 124 T CA 0.524 62.540 62.100 -0.140 0.000 0.950 124 T CB 0.633 69.350 68.868 -0.252 0.000 1.090 124 T HN 1.610 nan 8.240 nan 0.000 0.503 125 G N 1.679 110.431 108.800 -0.081 0.000 2.705 125 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 125 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 125 G C 0.253 175.026 174.900 -0.212 0.000 1.285 125 G CA -0.232 44.795 45.100 -0.123 0.000 0.800 125 G HN 0.624 nan 8.290 nan 0.000 0.611 126 W N 1.026 122.027 121.300 -0.498 0.000 2.525 126 W HA -0.071 4.589 4.660 -0.000 0.000 0.259 126 W C 1.542 177.760 176.519 -0.502 0.000 1.253 126 W CA 2.039 58.888 57.345 -0.827 0.000 1.262 126 W CB -1.445 27.458 29.460 -0.929 0.000 1.122 126 W HN 1.008 nan 8.180 nan 0.000 0.607 127 T N -0.414 113.446 114.554 -1.156 0.000 2.995 127 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 127 T C 1.239 175.383 174.700 -0.926 0.000 1.091 127 T CA 1.024 62.087 62.100 -1.729 0.000 1.128 127 T CB -0.910 66.993 68.868 -1.610 0.000 0.891 127 T HN 0.162 nan 8.240 nan 0.000 0.492 128 V N 0.789 120.400 119.914 -0.505 0.000 5.616 128 V HA -0.224 3.896 4.120 -0.000 0.000 0.301 128 V C 0.160 176.020 176.094 -0.389 0.000 0.564 128 V CA 0.248 62.378 62.300 -0.285 0.000 0.653 128 V CB -2.880 28.880 31.823 -0.105 0.000 0.372 128 V HN 0.699 nan 8.190 nan 0.000 1.029 129 Y N 1.780 121.790 120.300 -0.482 0.000 2.511 129 Y HA 0.283 4.833 4.550 -0.000 0.000 0.332 129 Y C -0.966 174.656 175.900 -0.463 0.000 1.177 129 Y CA -1.894 55.885 58.100 -0.536 0.000 1.422 129 Y CB 1.098 39.414 38.460 -0.240 0.000 1.271 129 Y HN 0.267 nan 8.280 nan 0.000 0.550 130 P HA 0.165 nan 4.420 nan 0.000 0.278 130 P C -2.416 174.847 177.300 -0.062 0.000 1.258 130 P CA -1.998 60.991 63.100 -0.184 0.000 0.811 130 P CB 1.029 32.627 31.700 -0.170 0.000 1.063 131 P HA 0.073 nan 4.420 nan 0.000 0.249 131 P C 1.413 178.746 177.300 0.054 0.000 1.229 131 P CA 0.013 63.136 63.100 0.037 0.000 0.788 131 P CB -0.087 31.647 31.700 0.056 0.000 1.072 132 L N 0.623 121.886 121.223 0.066 0.000 2.079 132 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 132 L C 1.993 178.977 176.870 0.190 0.000 1.081 132 L CA 2.063 56.983 54.840 0.134 0.000 0.752 132 L CB -1.307 40.830 42.059 0.128 0.000 0.896 132 L HN -0.045 nan 8.230 nan 0.000 0.433 133 A N -0.760 122.066 122.820 0.010 0.000 2.238 133 A HA 0.371 4.691 4.320 -0.000 0.000 0.208 133 A C 1.389 178.968 177.584 -0.007 0.000 1.177 133 A CA 0.422 52.411 52.037 -0.080 0.000 0.804 133 A CB -1.344 17.529 19.000 -0.211 0.000 0.823 133 A HN 0.491 nan 8.150 nan 0.000 0.482 134 G N -0.056 108.769 108.800 0.042 0.000 2.621 134 G HA2 0.281 4.241 3.960 -0.000 0.000 0.271 134 G HA3 0.281 4.241 3.960 -0.000 0.000 0.271 134 G C 0.497 175.444 174.900 0.079 0.000 1.236 134 G CA 0.095 45.230 45.100 0.057 0.000 0.958 134 G HN 0.463 nan 8.290 nan 0.000 0.512 135 N N -0.817 117.922 118.700 0.065 0.000 2.461 135 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 135 N C 1.238 176.779 175.510 0.052 0.000 1.134 135 N CA 0.138 53.225 53.050 0.061 0.000 0.878 135 N CB 0.317 38.833 38.487 0.049 0.000 0.972 135 N HN 0.259 nan 8.380 nan 0.000 0.456 136 L N -0.404 120.848 121.223 0.049 0.000 2.445 136 L HA 0.492 4.832 4.340 -0.000 0.000 0.207 136 L C 1.921 178.802 176.870 0.017 0.000 1.053 136 L CA 0.889 55.748 54.840 0.031 0.000 0.841 136 L CB -0.958 41.119 42.059 0.030 0.000 1.074 136 L HN 0.160 nan 8.230 nan 0.000 0.479 137 A N -1.855 120.983 122.820 0.030 0.000 2.123 137 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 137 A C 0.261 177.783 177.584 -0.104 0.000 1.152 137 A CA 0.629 52.659 52.037 -0.011 0.000 0.728 137 A CB -0.613 18.413 19.000 0.044 0.000 0.814 137 A HN 0.598 nan 8.150 nan 0.000 0.464 138 H N -0.803 118.278 119.070 0.018 0.000 2.439 138 H HA 0.547 5.103 4.556 -0.000 0.000 0.228 138 H C 0.164 175.504 175.328 0.020 0.000 1.423 138 H CA -0.057 56.002 56.048 0.020 0.000 1.386 138 H CB 0.528 30.298 29.762 0.015 0.000 1.641 138 H HN 0.429 nan 8.280 nan 0.000 0.508 139 A N 1.163 124.023 122.820 0.067 0.000 2.425 139 A HA 0.591 4.911 4.320 -0.000 0.000 0.242 139 A C 1.054 178.681 177.584 0.071 0.000 1.077 139 A CA 0.747 52.821 52.037 0.060 0.000 0.781 139 A CB -0.157 18.863 19.000 0.033 0.000 1.020 139 A HN 0.878 nan 8.150 nan 0.000 0.494 140 G N -1.112 107.728 108.800 0.066 0.000 2.592 140 G HA2 0.360 4.320 3.960 -0.000 0.000 0.684 140 G HA3 0.360 4.320 3.960 -0.000 0.000 0.684 140 G C 0.695 175.639 174.900 0.073 0.000 1.291 140 G CA 0.201 45.340 45.100 0.066 0.000 0.891 140 G HN 1.976 nan 8.290 nan 0.000 0.544 141 A N -0.373 122.492 122.820 0.075 0.000 2.067 141 A HA 0.266 4.586 4.320 -0.000 0.000 0.219 141 A C 2.699 180.329 177.584 0.076 0.000 1.158 141 A CA 2.652 54.737 52.037 0.082 0.000 0.661 141 A CB -0.651 18.404 19.000 0.091 0.000 0.801 141 A HN 1.566 nan 8.150 nan 0.000 0.452 142 S N -0.200 115.550 115.700 0.083 0.000 2.359 142 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 142 S C 1.897 176.516 174.600 0.032 0.000 1.038 142 S CA 1.687 59.934 58.200 0.078 0.000 1.051 142 S CB -0.642 62.623 63.200 0.107 0.000 0.944 142 S HN 0.370 nan 8.310 nan 0.000 0.433 143 V N 2.692 122.609 119.914 0.005 0.000 2.332 143 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 143 V C 2.095 178.125 176.094 -0.107 0.000 1.055 143 V CA 1.900 64.161 62.300 -0.065 0.000 1.038 143 V CB -0.774 30.997 31.823 -0.087 0.000 0.651 143 V HN 0.431 nan 8.190 nan 0.000 0.450 144 D N 0.015 120.360 120.400 -0.091 0.000 2.117 144 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 144 D C 2.142 178.343 176.300 -0.165 0.000 0.987 144 D CA 1.239 55.117 54.000 -0.203 0.000 0.829 144 D CB -0.223 40.525 40.800 -0.086 0.000 0.961 144 D HN 0.361 nan 8.370 nan 0.000 0.460 145 L N 0.715 121.965 121.223 0.046 0.000 2.083 145 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 145 L C 2.549 179.438 176.870 0.031 0.000 1.083 145 L CA 1.088 56.012 54.840 0.139 0.000 0.752 145 L CB -0.559 41.578 42.059 0.130 0.000 0.899 145 L HN 0.008 nan 8.230 nan 0.000 0.433 146 T N -0.070 114.448 114.554 -0.059 0.000 2.821 146 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 146 T C 1.907 176.430 174.700 -0.295 0.000 1.046 146 T CA 1.201 63.197 62.100 -0.173 0.000 1.139 146 T CB -0.146 68.636 68.868 -0.144 0.000 0.871 146 T HN 0.183 nan 8.240 nan 0.000 0.454 147 I N 0.340 120.717 120.570 -0.322 0.000 2.179 147 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 147 I C 1.980 177.840 176.117 -0.428 0.000 1.088 147 I CA 1.323 62.340 61.300 -0.471 0.000 1.357 147 I CB -0.387 37.277 38.000 -0.561 0.000 1.051 147 I HN 0.145 nan 8.210 nan 0.000 0.409 148 F N 0.420 120.298 119.950 -0.119 0.000 2.202 148 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 148 F C 2.908 178.694 175.800 -0.024 0.000 1.082 148 F CA 1.493 59.496 58.000 0.004 0.000 1.313 148 F CB -1.184 37.844 39.000 0.048 0.000 1.024 148 F HN 0.043 nan 8.300 nan 0.000 0.495 149 S N 0.084 115.828 115.700 0.073 0.000 2.355 149 S HA -0.115 4.355 4.470 -0.000 0.000 0.222 149 S C 2.151 176.698 174.600 -0.088 0.000 1.031 149 S CA 0.973 59.198 58.200 0.042 0.000 0.993 149 S CB -0.390 62.809 63.200 -0.001 0.000 0.859 149 S HN 0.330 nan 8.310 nan 0.000 0.453 150 L N 0.282 121.316 121.223 -0.315 0.000 2.141 150 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 150 L C 2.430 179.155 176.870 -0.242 0.000 1.094 150 L CA 1.535 56.089 54.840 -0.477 0.000 0.763 150 L CB -0.712 40.965 42.059 -0.637 0.000 0.908 150 L HN 0.467 nan 8.230 nan 0.000 0.437 151 H N -0.469 118.536 119.070 -0.109 0.000 2.321 151 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 151 H C 2.348 177.670 175.328 -0.011 0.000 1.087 151 H CA 1.076 57.105 56.048 -0.032 0.000 1.319 151 H CB 0.199 30.012 29.762 0.084 0.000 1.379 151 H HN 0.192 nan 8.280 nan 0.000 0.501 152 L N -0.106 121.209 121.223 0.152 0.000 2.072 152 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 152 L C 2.785 179.705 176.870 0.085 0.000 1.079 152 L CA 0.919 55.821 54.840 0.103 0.000 0.752 152 L CB -0.630 41.491 42.059 0.102 0.000 0.906 152 L HN 0.344 nan 8.230 nan 0.000 0.436 153 A N 0.313 123.176 122.820 0.072 0.000 1.930 153 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 153 A C 2.370 180.005 177.584 0.084 0.000 1.175 153 A CA 1.593 53.689 52.037 0.097 0.000 0.627 153 A CB -0.965 18.051 19.000 0.026 0.000 0.815 153 A HN 0.435 nan 8.150 nan 0.000 0.443 154 G N -0.607 108.208 108.800 0.025 0.000 2.402 154 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.216 154 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.216 154 G C 1.484 176.426 174.900 0.069 0.000 1.162 154 G CA 1.132 46.255 45.100 0.038 0.000 0.777 154 G HN 0.293 nan 8.290 nan 0.000 0.539 155 V N 0.975 120.927 119.914 0.064 0.000 2.407 155 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 155 V C 3.068 179.206 176.094 0.074 0.000 1.055 155 V CA 2.206 64.539 62.300 0.055 0.000 1.049 155 V CB -0.195 31.649 31.823 0.035 0.000 0.662 155 V HN 0.512 nan 8.190 nan 0.000 0.455 156 S N -0.417 115.336 115.700 0.089 0.000 2.355 156 S HA -0.193 4.277 4.470 -0.000 0.000 0.222 156 S C 2.198 176.885 174.600 0.145 0.000 1.031 156 S CA 2.103 60.368 58.200 0.108 0.000 0.993 156 S CB -0.283 62.979 63.200 0.104 0.000 0.859 156 S HN 0.571 nan 8.310 nan 0.000 0.453 157 S N 0.937 116.730 115.700 0.154 0.000 2.423 157 S HA 0.112 4.582 4.470 -0.000 0.000 0.231 157 S C 1.693 176.383 174.600 0.150 0.000 1.014 157 S CA 1.080 59.380 58.200 0.166 0.000 0.965 157 S CB -0.390 62.916 63.200 0.177 0.000 0.785 157 S HN 0.520 nan 8.310 nan 0.000 0.495 158 I N 1.228 121.871 120.570 0.123 0.000 2.202 158 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 158 I C 1.968 178.150 176.117 0.107 0.000 1.091 158 I CA 1.085 62.450 61.300 0.108 0.000 1.368 158 I CB -0.252 37.796 38.000 0.079 0.000 1.058 158 I HN 0.239 nan 8.210 nan 0.000 0.410 159 L N 0.093 121.375 121.223 0.097 0.000 2.093 159 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 159 L C 2.602 179.551 176.870 0.132 0.000 1.085 159 L CA 1.458 56.352 54.840 0.091 0.000 0.755 159 L CB -1.134 40.968 42.059 0.072 0.000 0.904 159 L HN 0.333 nan 8.230 nan 0.000 0.435 160 G N -0.465 108.432 108.800 0.163 0.000 2.422 160 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 160 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 160 G C 1.767 176.838 174.900 0.286 0.000 1.140 160 G CA 0.726 45.952 45.100 0.209 0.000 0.775 160 G HN 0.447 nan 8.290 nan 0.000 0.545 161 A N 0.752 123.712 122.820 0.234 0.000 1.930 161 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 161 A C 2.325 180.026 177.584 0.195 0.000 1.175 161 A CA 0.969 53.140 52.037 0.224 0.000 0.627 161 A CB -0.285 18.812 19.000 0.161 0.000 0.815 161 A HN 0.354 nan 8.150 nan 0.000 0.443 162 I N -0.087 120.581 120.570 0.164 0.000 2.394 162 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 162 I C 2.359 178.601 176.117 0.208 0.000 1.136 162 I CA 0.919 62.319 61.300 0.166 0.000 1.425 162 I CB -0.295 37.790 38.000 0.141 0.000 1.079 162 I HN 0.331 nan 8.210 nan 0.000 0.425 163 N N 0.893 119.698 118.700 0.175 0.000 2.171 163 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 163 N C 1.874 177.275 175.510 -0.183 0.000 1.021 163 N CA 1.551 54.614 53.050 0.021 0.000 0.854 163 N CB -0.136 38.287 38.487 -0.106 0.000 0.994 163 N HN 0.208 nan 8.380 nan 0.000 0.426 164 F N 1.225 121.159 119.950 -0.026 0.000 2.113 164 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 164 F C 2.307 178.047 175.800 -0.099 0.000 1.103 164 F CA 0.633 58.583 58.000 -0.084 0.000 1.248 164 F CB -0.199 38.755 39.000 -0.076 0.000 0.999 164 F HN -0.017 nan 8.300 nan 0.000 0.475 165 I N -0.477 120.178 120.570 0.142 0.000 2.118 165 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 165 I C 2.283 178.389 176.117 -0.018 0.000 1.070 165 I CA 1.802 63.131 61.300 0.048 0.000 1.327 165 I CB -1.009 37.029 38.000 0.064 0.000 1.034 165 I HN 0.123 nan 8.210 nan 0.000 0.405 166 T N -0.160 114.378 114.554 -0.027 0.000 2.708 166 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 166 T C 1.931 176.506 174.700 -0.207 0.000 1.037 166 T CA 2.071 64.109 62.100 -0.104 0.000 1.146 166 T CB -0.410 68.384 68.868 -0.124 0.000 0.865 166 T HN 0.370 nan 8.240 nan 0.000 0.435 167 T N 1.981 116.380 114.554 -0.258 0.000 2.708 167 T HA 0.046 4.396 4.350 -0.000 0.000 0.266 167 T C 1.999 176.580 174.700 -0.198 0.000 1.037 167 T CA 0.920 62.851 62.100 -0.282 0.000 1.146 167 T CB -0.391 68.290 68.868 -0.313 0.000 0.865 167 T HN 0.304 nan 8.240 nan 0.000 0.435 168 I N 0.547 121.030 120.570 -0.145 0.000 2.252 168 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 168 I C 2.003 178.004 176.117 -0.193 0.000 1.102 168 I CA 0.834 62.036 61.300 -0.163 0.000 1.385 168 I CB -0.245 37.663 38.000 -0.153 0.000 1.064 168 I HN 0.182 nan 8.210 nan 0.000 0.414 169 I N 0.593 121.064 120.570 -0.165 0.000 2.353 169 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 169 I C 2.111 178.146 176.117 -0.138 0.000 1.119 169 I CA 1.528 62.736 61.300 -0.153 0.000 1.417 169 I CB -1.370 36.568 38.000 -0.104 0.000 1.078 169 I HN 0.275 nan 8.210 nan 0.000 0.421 170 N N -0.121 118.495 118.700 -0.140 0.000 2.388 170 N HA 0.089 4.829 4.740 -0.000 0.000 0.176 170 N C 1.126 176.553 175.510 -0.139 0.000 1.062 170 N CA 0.548 53.521 53.050 -0.127 0.000 0.895 170 N CB 0.251 38.659 38.487 -0.133 0.000 1.018 170 N HN 0.149 nan 8.380 nan 0.000 0.456 171 M N 0.159 119.660 119.600 -0.164 0.000 2.673 171 M HA 0.226 4.706 4.480 -0.000 0.000 0.334 171 M C -0.416 175.783 176.300 -0.168 0.000 1.211 171 M CA -0.170 55.029 55.300 -0.170 0.000 0.962 171 M CB 0.711 33.188 32.600 -0.204 0.000 1.343 171 M HN -0.145 nan 8.290 nan 0.000 0.511 172 K N 1.244 121.552 120.400 -0.153 0.000 2.090 172 K HA 0.463 4.783 4.320 -0.000 0.000 0.250 172 K C -2.418 174.104 176.600 -0.129 0.000 1.004 172 K CA -1.681 54.517 56.287 -0.149 0.000 0.919 172 K CB 0.260 32.678 32.500 -0.137 0.000 1.045 172 K HN -0.128 nan 8.250 nan 0.000 0.471 173 P HA -0.025 nan 4.420 nan 0.000 0.266 173 P C -2.029 175.216 177.300 -0.092 0.000 1.195 173 P CA -0.902 62.137 63.100 -0.102 0.000 0.768 173 P CB 0.024 31.668 31.700 -0.093 0.000 0.838 174 P HA -0.216 nan 4.420 nan 0.000 0.217 174 P C 0.940 178.196 177.300 -0.073 0.000 1.148 174 P CA 1.752 64.806 63.100 -0.077 0.000 0.828 174 P CB -0.285 31.370 31.700 -0.075 0.000 0.783 175 A N -1.202 121.569 122.820 -0.083 0.000 2.123 175 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 175 A C 1.418 178.973 177.584 -0.047 0.000 1.152 175 A CA -0.017 51.978 52.037 -0.069 0.000 0.728 175 A CB -0.841 18.101 19.000 -0.096 0.000 0.814 175 A HN 0.187 nan 8.150 nan 0.000 0.464 176 M N 2.402 121.970 119.600 -0.053 0.000 2.220 176 M HA 0.226 4.706 4.480 -0.000 0.000 0.343 176 M C 0.491 176.764 176.300 -0.045 0.000 1.470 176 M CA -0.184 55.092 55.300 -0.040 0.000 1.161 176 M CB 0.369 32.940 32.600 -0.049 0.000 1.737 176 M HN 0.444 nan 8.290 nan 0.000 0.464 177 S N 3.489 119.181 115.700 -0.014 0.000 2.655 177 S HA 0.128 4.598 4.470 -0.000 0.000 0.265 177 S C 0.739 175.286 174.600 -0.088 0.000 1.240 177 S CA -0.449 57.730 58.200 -0.036 0.000 0.986 177 S CB 1.224 64.453 63.200 0.049 0.000 0.985 177 S HN 0.827 nan 8.310 nan 0.000 0.562 178 Q N -0.125 119.536 119.800 -0.232 0.000 2.152 178 Q HA -0.077 4.263 4.340 -0.000 0.000 0.206 178 Q C 0.855 176.840 176.000 -0.025 0.000 0.985 178 Q CA 1.920 57.515 55.803 -0.347 0.000 0.863 178 Q CB -0.701 27.712 28.738 -0.541 0.000 0.904 178 Q HN 0.862 nan 8.270 nan 0.000 0.422 179 Y N -0.595 119.956 120.300 0.418 0.000 2.465 179 Y HA 0.145 4.695 4.550 -0.000 0.000 0.311 179 Y C 0.623 176.684 175.900 0.269 0.000 1.204 179 Y CA 0.262 58.687 58.100 0.542 0.000 1.272 179 Y CB 0.008 38.688 38.460 0.366 0.000 1.083 179 Y HN 0.118 nan 8.280 nan 0.000 0.508 180 Q N -0.267 119.684 119.800 0.252 0.000 2.110 180 Q HA 0.135 4.475 4.340 -0.000 0.000 0.232 180 Q C 0.186 176.275 176.000 0.148 0.000 0.810 180 Q CA -0.214 55.646 55.803 0.095 0.000 1.083 180 Q CB 0.827 29.591 28.738 0.043 0.000 1.193 180 Q HN 0.286 nan 8.270 nan 0.000 0.471 181 T N -2.208 112.519 114.554 0.289 0.000 2.929 181 T HA 0.648 4.998 4.350 -0.000 0.000 0.284 181 T C -2.607 172.399 174.700 0.511 0.000 1.014 181 T CA -2.343 59.893 62.100 0.226 0.000 1.051 181 T CB 1.613 70.449 68.868 -0.054 0.000 1.028 181 T HN -0.214 nan 8.240 nan 0.000 0.485 182 P HA 0.269 nan 4.420 nan 0.000 0.274 182 P C 1.108 178.838 177.300 0.716 0.000 1.237 182 P CA -0.687 62.773 63.100 0.600 0.000 0.793 182 P CB 0.564 32.627 31.700 0.605 0.000 0.977 183 L N 0.096 121.747 121.223 0.712 0.000 2.187 183 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 183 L C 2.183 179.424 176.870 0.617 0.000 1.100 183 L CA 1.485 56.688 54.840 0.605 0.000 0.765 183 L CB -0.661 41.661 42.059 0.438 0.000 0.904 183 L HN 0.345 nan 8.230 nan 0.000 0.437 184 F N 0.072 120.380 119.950 0.597 0.000 2.206 184 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 184 F C 2.159 178.055 175.800 0.159 0.000 1.090 184 F CA 1.124 59.254 58.000 0.218 0.000 1.323 184 F CB -0.259 38.615 39.000 -0.211 0.000 1.028 184 F HN -0.260 nan 8.300 nan 0.000 0.492 185 V N -0.578 119.390 119.914 0.090 0.000 2.343 185 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 185 V C 2.113 178.132 176.094 -0.125 0.000 1.051 185 V CA 2.104 64.336 62.300 -0.113 0.000 1.036 185 V CB -1.094 30.716 31.823 -0.021 0.000 0.654 185 V HN 0.502 nan 8.190 nan 0.000 0.451 186 W N 0.970 122.270 121.300 0.001 0.000 2.335 186 W HA -0.258 4.402 4.660 -0.000 0.000 0.311 186 W C 3.025 179.508 176.519 -0.060 0.000 1.213 186 W CA 2.156 59.496 57.345 -0.009 0.000 1.274 186 W CB -0.590 28.887 29.460 0.028 0.000 1.148 186 W HN 0.381 nan 8.180 nan 0.000 0.498 187 S N -0.670 115.138 115.700 0.181 0.000 2.402 187 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 187 S C 1.689 176.219 174.600 -0.116 0.000 1.021 187 S CA 1.427 59.675 58.200 0.079 0.000 0.974 187 S CB -0.971 62.296 63.200 0.112 0.000 0.800 187 S HN 0.074 nan 8.310 nan 0.000 0.484 188 V N 1.733 121.437 119.914 -0.350 0.000 2.453 188 V HA -0.053 4.067 4.120 -0.000 0.000 0.247 188 V C 2.545 178.466 176.094 -0.288 0.000 1.048 188 V CA 1.986 63.986 62.300 -0.500 0.000 1.049 188 V CB -0.664 30.682 31.823 -0.794 0.000 0.672 188 V HN 0.595 nan 8.190 nan 0.000 0.457 189 M N -0.205 119.296 119.600 -0.166 0.000 2.077 189 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 189 M C 2.049 178.364 176.300 0.024 0.000 1.070 189 M CA 2.076 57.337 55.300 -0.064 0.000 1.125 189 M CB -0.258 32.281 32.600 -0.101 0.000 1.339 189 M HN 0.216 nan 8.290 nan 0.000 0.409 190 I N -0.203 120.422 120.570 0.093 0.000 2.208 190 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 190 I C 2.103 178.267 176.117 0.079 0.000 1.097 190 I CA 1.713 63.090 61.300 0.128 0.000 1.363 190 I CB -1.005 37.102 38.000 0.179 0.000 1.051 190 I HN 0.380 nan 8.210 nan 0.000 0.413 191 T N 0.895 115.456 114.554 0.012 0.000 2.720 191 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 191 T C 2.050 176.759 174.700 0.014 0.000 1.037 191 T CA 1.579 63.672 62.100 -0.012 0.000 1.144 191 T CB -0.355 68.455 68.868 -0.098 0.000 0.864 191 T HN 0.516 nan 8.240 nan 0.000 0.444 192 A N 0.860 123.679 122.820 -0.002 0.000 1.930 192 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 192 A C 2.594 180.237 177.584 0.099 0.000 1.175 192 A CA 1.086 53.154 52.037 0.052 0.000 0.627 192 A CB -0.926 18.119 19.000 0.076 0.000 0.815 192 A HN 0.351 nan 8.150 nan 0.000 0.443 193 V N 0.450 120.426 119.914 0.104 0.000 2.255 193 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 193 V C 2.582 178.792 176.094 0.193 0.000 1.051 193 V CA 2.032 64.413 62.300 0.134 0.000 1.018 193 V CB -0.809 31.095 31.823 0.135 0.000 0.641 193 V HN 0.577 nan 8.190 nan 0.000 0.445 194 L N -0.815 120.543 121.223 0.225 0.000 2.012 194 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 194 L C 2.483 179.507 176.870 0.256 0.000 1.073 194 L CA 1.772 56.799 54.840 0.312 0.000 0.748 194 L CB -0.675 41.466 42.059 0.137 0.000 0.891 194 L HN 0.332 nan 8.230 nan 0.000 0.431 195 L N -0.682 120.642 121.223 0.169 0.000 2.042 195 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 195 L C 2.611 179.596 176.870 0.192 0.000 1.076 195 L CA 0.961 55.908 54.840 0.179 0.000 0.749 195 L CB -0.510 41.633 42.059 0.141 0.000 0.893 195 L HN 0.234 nan 8.230 nan 0.000 0.432 196 L N -0.442 120.881 121.223 0.167 0.000 2.042 196 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 196 L C 2.224 179.184 176.870 0.149 0.000 1.076 196 L CA 1.804 56.727 54.840 0.138 0.000 0.749 196 L CB -0.215 41.912 42.059 0.112 0.000 0.893 196 L HN 0.135 nan 8.230 nan 0.000 0.432 197 L N -1.633 119.708 121.223 0.197 0.000 2.307 197 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 197 L C 2.438 179.502 176.870 0.324 0.000 1.099 197 L CA 0.922 55.876 54.840 0.190 0.000 0.816 197 L CB -0.415 41.680 42.059 0.060 0.000 0.952 197 L HN 0.429 nan 8.230 nan 0.000 0.455 198 S N -0.492 115.445 115.700 0.395 0.000 2.427 198 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 198 S C 1.914 176.725 174.600 0.352 0.000 1.047 198 S CA 0.088 58.545 58.200 0.428 0.000 0.953 198 S CB -0.497 62.899 63.200 0.328 0.000 0.824 198 S HN 0.231 nan 8.310 nan 0.000 0.502 199 L N 1.875 123.259 121.223 0.269 0.000 2.079 199 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 199 L C -0.819 176.047 176.870 -0.006 0.000 1.081 199 L CA 1.290 56.167 54.840 0.062 0.000 0.752 199 L CB -1.292 40.815 42.059 0.080 0.000 0.896 199 L HN 0.289 nan 8.230 nan 0.000 0.433 200 P HA -0.093 nan 4.420 nan 0.000 0.221 200 P C 1.797 179.092 177.300 -0.009 0.000 1.150 200 P CA 0.894 64.004 63.100 0.017 0.000 0.800 200 P CB 0.179 31.897 31.700 0.030 0.000 0.787 201 V N -0.399 119.530 119.914 0.025 0.000 2.407 201 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 201 V C 2.322 178.363 176.094 -0.090 0.000 1.041 201 V CA 1.236 63.528 62.300 -0.014 0.000 1.040 201 V CB -1.184 30.692 31.823 0.089 0.000 0.671 201 V HN 0.051 nan 8.190 nan 0.000 0.455 202 L N 1.293 122.423 121.223 -0.155 0.000 2.043 202 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 202 L C 2.396 179.120 176.870 -0.244 0.000 1.075 202 L CA 2.529 57.149 54.840 -0.367 0.000 0.752 202 L CB -0.813 40.717 42.059 -0.880 0.000 0.891 202 L HN 0.221 nan 8.230 nan 0.000 0.432 203 A N -0.689 122.037 122.820 -0.156 0.000 1.969 203 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 203 A C 2.423 180.013 177.584 0.011 0.000 1.169 203 A CA 1.595 53.618 52.037 -0.022 0.000 0.635 203 A CB -1.023 18.005 19.000 0.046 0.000 0.810 203 A HN 0.609 nan 8.150 nan 0.000 0.445 204 A N -0.443 122.349 122.820 -0.047 0.000 1.872 204 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 204 A C 2.397 179.939 177.584 -0.071 0.000 1.187 204 A CA 1.719 53.717 52.037 -0.065 0.000 0.614 204 A CB -1.329 17.613 19.000 -0.096 0.000 0.826 204 A HN 0.653 nan 8.150 nan 0.000 0.442 205 G N 0.961 109.714 108.800 -0.077 0.000 2.421 205 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 205 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 205 G C 1.541 176.522 174.900 0.135 0.000 1.171 205 G CA 1.300 46.390 45.100 -0.017 0.000 0.775 205 G HN 0.833 nan 8.290 nan 0.000 0.543 206 I N -1.495 119.098 120.570 0.039 0.000 2.493 206 I HA -0.023 4.147 4.170 -0.000 0.000 0.254 206 I C 2.344 178.469 176.117 0.014 0.000 1.160 206 I CA 1.645 62.969 61.300 0.041 0.000 1.445 206 I CB -0.722 37.174 38.000 -0.172 0.000 1.086 206 I HN -0.041 nan 8.210 nan 0.000 0.433 207 T N 1.561 116.151 114.554 0.059 0.000 2.737 207 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 207 T C 1.954 176.684 174.700 0.050 0.000 1.038 207 T CA 1.798 63.959 62.100 0.102 0.000 1.144 207 T CB -0.226 68.713 68.868 0.119 0.000 0.866 207 T HN 0.321 nan 8.240 nan 0.000 0.434 208 M N 0.402 119.979 119.600 -0.038 0.000 2.149 208 M HA -0.074 4.406 4.480 -0.000 0.000 0.261 208 M C 2.259 178.687 176.300 0.212 0.000 1.064 208 M CA 1.262 56.477 55.300 -0.142 0.000 1.102 208 M CB -0.473 31.797 32.600 -0.550 0.000 1.369 208 M HN 0.175 nan 8.290 nan 0.000 0.408 209 L N 0.528 122.008 121.223 0.428 0.000 2.046 209 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 209 L C 2.167 179.128 176.870 0.151 0.000 1.077 209 L CA 1.611 56.676 54.840 0.375 0.000 0.747 209 L CB -0.731 41.457 42.059 0.215 0.000 0.896 209 L HN 0.227 nan 8.230 nan 0.000 0.432 210 L N -0.796 120.468 121.223 0.070 0.000 2.083 210 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 210 L C 2.510 179.418 176.870 0.062 0.000 1.083 210 L CA 2.402 57.241 54.840 -0.002 0.000 0.752 210 L CB -0.891 41.128 42.059 -0.067 0.000 0.899 210 L HN 0.607 nan 8.230 nan 0.000 0.433 211 T N -5.077 109.546 114.554 0.115 0.000 2.985 211 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 211 T C 1.606 176.375 174.700 0.115 0.000 1.076 211 T CA 0.963 63.142 62.100 0.133 0.000 1.135 211 T CB -0.538 68.448 68.868 0.195 0.000 0.890 211 T HN 0.248 nan 8.240 nan 0.000 0.480 212 D N 1.589 122.074 120.400 0.143 0.000 2.149 212 D HA -0.019 4.621 4.640 -0.000 0.000 0.198 212 D C 2.434 178.778 176.300 0.074 0.000 0.990 212 D CA 0.963 55.023 54.000 0.100 0.000 0.839 212 D CB -0.137 40.760 40.800 0.162 0.000 0.948 212 D HN 0.459 nan 8.370 nan 0.000 0.460 213 R N -0.338 120.207 120.500 0.074 0.000 2.153 213 R HA 0.136 4.476 4.340 -0.000 0.000 0.218 213 R C 1.023 177.351 176.300 0.046 0.000 1.072 213 R CA 0.758 56.890 56.100 0.052 0.000 0.990 213 R CB 0.156 30.476 30.300 0.034 0.000 0.889 213 R HN 0.181 nan 8.270 nan 0.000 0.452 214 N N -0.914 117.817 118.700 0.051 0.000 2.129 214 N HA 0.127 4.867 4.740 -0.000 0.000 0.222 214 N C 0.486 176.024 175.510 0.047 0.000 1.303 214 N CA 0.222 53.303 53.050 0.052 0.000 0.897 214 N CB 1.254 39.782 38.487 0.067 0.000 1.093 214 N HN 0.081 nan 8.380 nan 0.000 0.501 215 L N 0.780 122.029 121.223 0.044 0.000 3.229 215 L HA 0.299 4.639 4.340 -0.000 0.000 0.286 215 L C -0.206 176.667 176.870 0.005 0.000 1.239 215 L CA -0.050 54.809 54.840 0.031 0.000 1.035 215 L CB 0.157 42.243 42.059 0.045 0.000 1.408 215 L HN -0.088 nan 8.230 nan 0.000 0.593 216 N N 0.550 119.251 118.700 0.001 0.000 2.741 216 N HA -0.141 4.599 4.740 -0.000 0.000 0.250 216 N C 0.547 176.014 175.510 -0.071 0.000 1.115 216 N CA 1.377 54.412 53.050 -0.025 0.000 0.724 216 N CB -1.361 37.113 38.487 -0.022 0.000 1.090 216 N HN 0.576 nan 8.380 nan 0.000 0.558 217 T N -2.467 112.033 114.554 -0.091 0.000 2.754 217 T HA 0.490 4.840 4.350 -0.000 0.000 0.286 217 T C 1.169 175.722 174.700 -0.245 0.000 0.997 217 T CA 0.404 62.354 62.100 -0.250 0.000 0.982 217 T CB 1.463 70.144 68.868 -0.312 0.000 1.027 217 T HN 0.263 nan 8.240 nan 0.000 0.529 218 T N -1.850 112.458 114.554 -0.410 0.000 3.748 218 T HA 0.312 4.662 4.350 -0.000 0.000 0.281 218 T C 0.559 175.074 174.700 -0.308 0.000 0.977 218 T CA -0.636 61.315 62.100 -0.247 0.000 1.056 218 T CB -0.928 67.844 68.868 -0.159 0.000 1.138 218 T HN 0.461 nan 8.240 nan 0.000 0.498 219 F N 0.716 120.447 119.950 -0.364 0.000 2.216 219 F HA 0.146 4.673 4.527 -0.000 0.000 0.300 219 F C 1.161 176.680 175.800 -0.467 0.000 1.085 219 F CA 0.964 58.629 58.000 -0.560 0.000 1.326 219 F CB -0.326 38.020 39.000 -1.090 0.000 1.027 219 F HN 0.343 nan 8.300 nan 0.000 0.497 220 F N -1.396 118.686 119.950 0.220 0.000 2.683 220 F HA 0.235 4.762 4.527 -0.000 0.000 0.306 220 F C 0.008 175.853 175.800 0.074 0.000 1.102 220 F CA -0.982 57.102 58.000 0.141 0.000 1.244 220 F CB -0.178 38.897 39.000 0.125 0.000 1.029 220 F HN -0.259 nan 8.300 nan 0.000 0.545 221 D N 1.451 121.945 120.400 0.157 0.000 2.440 221 D HA 0.291 4.931 4.640 -0.000 0.000 0.239 221 D C -2.127 174.209 176.300 0.060 0.000 1.084 221 D CA -2.500 51.556 54.000 0.093 0.000 0.843 221 D CB 2.362 43.190 40.800 0.046 0.000 1.097 221 D HN -0.122 nan 8.370 nan 0.000 0.531 222 P HA -0.056 nan 4.420 nan 0.000 0.220 222 P C 1.001 178.318 177.300 0.028 0.000 1.148 222 P CA 0.875 64.005 63.100 0.052 0.000 0.803 222 P CB 0.236 31.968 31.700 0.054 0.000 0.782 223 A N -0.205 122.628 122.820 0.022 0.000 2.019 223 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 223 A C 2.169 179.749 177.584 -0.007 0.000 1.164 223 A CA 1.767 53.809 52.037 0.009 0.000 0.644 223 A CB -1.465 17.540 19.000 0.008 0.000 0.805 223 A HN 0.321 nan 8.150 nan 0.000 0.449 224 G N -2.521 106.267 108.800 -0.020 0.000 3.393 224 G HA2 0.415 4.375 3.960 -0.000 0.000 0.255 224 G HA3 0.415 4.375 3.960 -0.000 0.000 0.255 224 G C 0.937 175.810 174.900 -0.045 0.000 1.097 224 G CA 0.409 45.481 45.100 -0.047 0.000 0.780 224 G HN 1.546 nan 8.290 nan 0.000 0.540 225 G N -0.993 107.798 108.800 -0.016 0.000 2.131 225 G HA2 0.030 3.990 3.960 -0.000 0.000 0.223 225 G HA3 0.030 3.990 3.960 -0.000 0.000 0.223 225 G C 0.719 175.626 174.900 0.013 0.000 0.990 225 G CA 0.137 45.237 45.100 -0.001 0.000 0.671 225 G HN 0.961 nan 8.290 nan 0.000 0.521 226 G N -0.981 107.829 108.800 0.017 0.000 2.543 226 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 226 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 226 G C -0.854 174.124 174.900 0.130 0.000 1.310 226 G CA 0.421 45.559 45.100 0.064 0.000 1.025 226 G HN 0.407 nan 8.290 nan 0.000 0.502 227 D N -1.318 119.216 120.400 0.224 0.000 2.736 227 D HA 0.353 4.993 4.640 -0.000 0.000 0.243 227 D C -1.983 174.489 176.300 0.287 0.000 1.304 227 D CA -1.739 52.392 54.000 0.218 0.000 0.934 227 D CB 2.247 43.166 40.800 0.199 0.000 1.382 227 D HN -0.067 nan 8.370 nan 0.000 0.571 228 P HA -0.088 nan 4.420 nan 0.000 0.218 228 P C 1.513 178.803 177.300 -0.016 0.000 1.148 228 P CA 0.467 63.618 63.100 0.086 0.000 0.822 228 P CB 0.340 32.047 31.700 0.011 0.000 0.784 229 I N -1.378 119.209 120.570 0.028 0.000 2.614 229 I HA -0.126 4.044 4.170 -0.000 0.000 0.258 229 I C 2.057 178.208 176.117 0.057 0.000 1.189 229 I CA 0.763 62.044 61.300 -0.031 0.000 1.462 229 I CB -1.635 36.380 38.000 0.025 0.000 1.092 229 I HN -0.006 nan 8.210 nan 0.000 0.442 230 L N 0.515 121.866 121.223 0.213 0.000 2.017 230 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 230 L C 2.587 179.550 176.870 0.155 0.000 1.073 230 L CA 1.844 56.874 54.840 0.317 0.000 0.745 230 L CB -1.230 41.103 42.059 0.456 0.000 0.894 230 L HN 0.280 nan 8.230 nan 0.000 0.432 231 Y N 0.273 120.403 120.300 -0.284 0.000 2.165 231 Y HA -0.321 4.229 4.550 -0.000 0.000 0.286 231 Y C 2.541 178.254 175.900 -0.313 0.000 1.155 231 Y CA 2.274 59.933 58.100 -0.736 0.000 1.164 231 Y CB -0.224 37.444 38.460 -1.319 0.000 0.978 231 Y HN 0.413 nan 8.280 nan 0.000 0.513 232 Q N -1.143 118.535 119.800 -0.203 0.000 2.084 232 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 232 Q C 2.044 178.082 176.000 0.064 0.000 0.978 232 Q CA 1.550 57.266 55.803 -0.145 0.000 0.844 232 Q CB -0.349 28.210 28.738 -0.299 0.000 0.898 232 Q HN 0.621 nan 8.270 nan 0.000 0.426 233 H N 0.596 119.736 119.070 0.116 0.000 2.326 233 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 233 H C 2.273 177.586 175.328 -0.024 0.000 1.081 233 H CA 1.107 57.282 56.048 0.212 0.000 1.334 233 H CB -0.174 29.721 29.762 0.221 0.000 1.385 233 H HN 0.190 nan 8.280 nan 0.000 0.504 234 L N -0.464 120.754 121.223 -0.008 0.000 2.012 234 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 234 L C 2.545 179.291 176.870 -0.206 0.000 1.073 234 L CA 1.373 56.123 54.840 -0.151 0.000 0.748 234 L CB -0.719 41.224 42.059 -0.193 0.000 0.891 234 L HN 0.104 nan 8.230 nan 0.000 0.431 235 F N -0.020 119.612 119.950 -0.531 0.000 2.069 235 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 235 F C 2.130 177.701 175.800 -0.382 0.000 1.113 235 F CA 1.683 59.337 58.000 -0.577 0.000 1.214 235 F CB -0.469 38.024 39.000 -0.845 0.000 0.978 235 F HN -0.040 nan 8.300 nan 0.000 0.474 236 W N -1.145 120.211 121.300 0.094 0.000 2.425 236 W HA -0.133 4.527 4.660 -0.000 0.000 0.277 236 W C 2.308 178.757 176.519 -0.117 0.000 1.231 236 W CA 0.705 58.054 57.345 0.006 0.000 1.248 236 W CB -0.746 28.837 29.460 0.204 0.000 1.117 236 W HN 0.084 nan 8.180 nan 0.000 0.568 237 F N -0.063 119.748 119.950 -0.230 0.000 2.161 237 F HA -0.251 4.276 4.527 -0.000 0.000 0.300 237 F C 2.234 177.941 175.800 -0.154 0.000 1.089 237 F CA 1.746 59.487 58.000 -0.433 0.000 1.282 237 F CB -0.568 38.058 39.000 -0.623 0.000 1.010 237 F HN -0.035 nan 8.300 nan 0.000 0.485 238 F N 0.250 120.084 119.950 -0.194 0.000 2.149 238 F HA 0.149 4.676 4.527 -0.000 0.000 0.294 238 F C 2.252 177.850 175.800 -0.337 0.000 1.095 238 F CA 1.627 59.465 58.000 -0.270 0.000 1.276 238 F CB -1.150 37.643 39.000 -0.345 0.000 1.023 238 F HN -0.121 nan 8.300 nan 0.000 0.480 239 G N -1.311 107.038 108.800 -0.751 0.000 2.421 239 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 239 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 239 G C 1.390 176.076 174.900 -0.357 0.000 1.143 239 G CA 0.987 45.532 45.100 -0.926 0.000 0.784 239 G HN 0.547 nan 8.290 nan 0.000 0.541 240 H N 1.605 120.610 119.070 -0.110 0.000 2.276 240 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 240 H C 0.182 175.441 175.328 -0.114 0.000 1.073 240 H CA 1.654 57.706 56.048 0.006 0.000 1.311 240 H CB -0.486 29.384 29.762 0.181 0.000 1.379 240 H HN 0.217 nan 8.280 nan 0.000 0.494 241 P HA -0.226 nan 4.420 nan 0.000 0.217 241 P C 1.307 178.369 177.300 -0.397 0.000 1.158 241 P CA 2.158 65.008 63.100 -0.418 0.000 0.887 241 P CB -0.037 31.187 31.700 -0.793 0.000 0.792 242 E N -0.025 119.783 120.200 -0.653 0.000 2.147 242 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 242 E C 1.661 177.977 176.600 -0.474 0.000 1.005 242 E CA 1.787 57.798 56.400 -0.648 0.000 0.810 242 E CB -1.196 27.864 29.700 -1.067 0.000 0.736 242 E HN 0.182 nan 8.360 nan 0.000 0.460 243 V N -1.645 117.944 119.914 -0.541 0.000 2.719 243 V HA -0.131 3.989 4.120 -0.000 0.000 0.252 243 V C 1.873 177.599 176.094 -0.614 0.000 1.065 243 V CA 1.485 63.442 62.300 -0.572 0.000 1.086 243 V CB -1.115 30.326 31.823 -0.637 0.000 0.700 243 V HN 0.201 nan 8.190 nan 0.000 0.467 244 Y N 0.546 120.640 120.300 -0.342 0.000 2.314 244 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 244 Y C 2.358 178.127 175.900 -0.219 0.000 1.129 244 Y CA 1.595 59.560 58.100 -0.225 0.000 1.201 244 Y CB -0.528 37.852 38.460 -0.133 0.000 0.999 244 Y HN 0.180 nan 8.280 nan 0.000 0.541 245 I N -0.422 120.073 120.570 -0.126 0.000 2.286 245 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 245 I C 1.860 177.882 176.117 -0.159 0.000 1.115 245 I CA 1.340 62.565 61.300 -0.125 0.000 1.392 245 I CB -0.321 37.597 38.000 -0.135 0.000 1.065 245 I HN 0.223 nan 8.210 nan 0.000 0.418 246 L N -0.575 120.515 121.223 -0.221 0.000 2.217 246 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 246 L C 2.247 179.013 176.870 -0.174 0.000 1.107 246 L CA 0.830 55.546 54.840 -0.206 0.000 0.783 246 L CB -0.120 41.778 42.059 -0.269 0.000 0.919 246 L HN 0.236 nan 8.230 nan 0.000 0.442 247 I N -1.220 119.205 120.570 -0.241 0.000 3.339 247 I HA -0.051 4.119 4.170 -0.000 0.000 0.285 247 I C 2.031 177.859 176.117 -0.481 0.000 1.201 247 I CA 0.779 61.885 61.300 -0.324 0.000 1.434 247 I CB 0.182 37.925 38.000 -0.428 0.000 1.152 247 I HN -0.002 nan 8.210 nan 0.000 0.443 248 L N 1.311 122.304 121.223 -0.384 0.000 2.021 248 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 248 L C -0.459 176.404 176.870 -0.011 0.000 1.074 248 L CA 1.950 56.659 54.840 -0.218 0.000 0.760 248 L CB -1.882 40.151 42.059 -0.043 0.000 0.889 248 L HN 0.213 nan 8.230 nan 0.000 0.433 249 P HA -0.108 nan 4.420 nan 0.000 0.218 249 P C 1.502 178.929 177.300 0.213 0.000 1.149 249 P CA 1.567 64.731 63.100 0.107 0.000 0.817 249 P CB -0.160 31.583 31.700 0.072 0.000 0.785 250 G N -1.086 107.754 108.800 0.066 0.000 2.421 250 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 250 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 250 G C 1.487 176.383 174.900 -0.006 0.000 1.171 250 G CA 0.264 45.352 45.100 -0.019 0.000 0.775 250 G HN 0.218 nan 8.290 nan 0.000 0.543 251 F N 1.383 121.327 119.950 -0.010 0.000 2.120 251 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 251 F C 3.031 178.973 175.800 0.237 0.000 1.095 251 F CA 0.400 58.491 58.000 0.152 0.000 1.249 251 F CB -0.229 38.949 39.000 0.297 0.000 0.995 251 F HN 0.283 nan 8.300 nan 0.000 0.480 252 G N 0.289 109.384 108.800 0.493 0.000 2.459 252 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 252 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 252 G C 1.568 176.791 174.900 0.538 0.000 1.183 252 G CA 0.846 46.284 45.100 0.563 0.000 0.776 252 G HN 0.208 nan 8.290 nan 0.000 0.552 253 M N 0.057 119.857 119.600 0.333 0.000 2.149 253 M HA -0.015 4.465 4.480 -0.000 0.000 0.261 253 M C 2.503 178.826 176.300 0.038 0.000 1.064 253 M CA 1.009 56.380 55.300 0.117 0.000 1.102 253 M CB -0.346 32.203 32.600 -0.084 0.000 1.369 253 M HN 0.126 nan 8.290 nan 0.000 0.408 254 I N -0.313 120.160 120.570 -0.161 0.000 2.252 254 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 254 I C 2.452 178.402 176.117 -0.278 0.000 1.102 254 I CA 1.370 62.386 61.300 -0.475 0.000 1.385 254 I CB -1.084 36.235 38.000 -1.135 0.000 1.064 254 I HN 0.231 nan 8.210 nan 0.000 0.414 255 S N -0.468 115.300 115.700 0.113 0.000 2.368 255 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 255 S C 1.897 176.644 174.600 0.245 0.000 1.030 255 S CA 0.959 59.381 58.200 0.369 0.000 0.999 255 S CB -0.365 63.171 63.200 0.561 0.000 0.844 255 S HN 0.477 nan 8.310 nan 0.000 0.459 256 H N 0.437 119.628 119.070 0.201 0.000 2.353 256 H HA 0.013 4.569 4.556 -0.000 0.000 0.300 256 H C 2.162 177.477 175.328 -0.022 0.000 1.090 256 H CA 1.462 57.622 56.048 0.188 0.000 1.327 256 H CB -0.222 29.752 29.762 0.355 0.000 1.383 256 H HN 0.353 nan 8.280 nan 0.000 0.508 257 I N 0.333 120.871 120.570 -0.054 0.000 2.179 257 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 257 I C 2.528 178.633 176.117 -0.020 0.000 1.088 257 I CA 0.762 61.928 61.300 -0.224 0.000 1.357 257 I CB -0.171 37.679 38.000 -0.249 0.000 1.051 257 I HN 0.004 nan 8.210 nan 0.000 0.409 258 V N 0.325 120.220 119.914 -0.032 0.000 2.427 258 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 258 V C 2.479 178.604 176.094 0.051 0.000 1.051 258 V CA 2.329 64.634 62.300 0.009 0.000 1.048 258 V CB -0.931 30.882 31.823 -0.018 0.000 0.666 258 V HN 0.465 nan 8.190 nan 0.000 0.456 259 T N -1.004 113.591 114.554 0.069 0.000 2.708 259 T HA -0.234 4.116 4.350 -0.000 0.000 0.266 259 T C 1.750 176.441 174.700 -0.016 0.000 1.037 259 T CA 2.122 64.253 62.100 0.053 0.000 1.146 259 T CB -0.351 68.555 68.868 0.063 0.000 0.865 259 T HN 0.581 nan 8.240 nan 0.000 0.435 260 Y N 0.318 120.506 120.300 -0.187 0.000 2.163 260 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 260 Y C 1.800 177.432 175.900 -0.447 0.000 1.136 260 Y CA 1.246 59.130 58.100 -0.361 0.000 1.147 260 Y CB -0.157 37.959 38.460 -0.574 0.000 0.987 260 Y HN 0.220 nan 8.280 nan 0.000 0.509 261 Y N -1.081 119.250 120.300 0.052 0.000 2.546 261 Y HA 0.017 4.567 4.550 -0.000 0.000 0.287 261 Y C 2.252 178.068 175.900 -0.139 0.000 1.158 261 Y CA 0.817 58.893 58.100 -0.040 0.000 1.307 261 Y CB -0.118 38.288 38.460 -0.091 0.000 1.036 261 Y HN 0.016 nan 8.280 nan 0.000 0.532 262 S N -0.932 114.747 115.700 -0.035 0.000 2.593 262 S HA 0.165 4.635 4.470 -0.000 0.000 0.217 262 S C 1.841 176.386 174.600 -0.093 0.000 0.966 262 S CA 0.694 58.854 58.200 -0.066 0.000 0.914 262 S CB -0.290 62.895 63.200 -0.025 0.000 0.776 262 S HN 0.675 nan 8.310 nan 0.000 0.523 263 G N 1.818 110.522 108.800 -0.160 0.000 2.143 263 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 263 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 263 G C -0.131 174.680 174.900 -0.149 0.000 0.991 263 G CA -0.059 44.928 45.100 -0.189 0.000 0.689 263 G HN 0.322 nan 8.290 nan 0.000 0.522 264 K N 0.248 120.579 120.400 -0.114 0.000 2.118 264 K HA 0.378 4.698 4.320 -0.000 0.000 0.267 264 K C 1.487 178.052 176.600 -0.058 0.000 0.991 264 K CA -0.186 56.069 56.287 -0.052 0.000 0.916 264 K CB 1.353 33.859 32.500 0.011 0.000 1.041 264 K HN 0.484 nan 8.250 nan 0.000 0.455 265 K N 0.278 120.661 120.400 -0.029 0.000 2.366 265 K HA -0.051 4.269 4.320 -0.000 0.000 0.198 265 K C 0.199 176.809 176.600 0.017 0.000 1.044 265 K CA 0.846 57.124 56.287 -0.015 0.000 0.973 265 K CB 0.275 32.770 32.500 -0.009 0.000 0.767 265 K HN 0.692 nan 8.250 nan 0.000 0.475 266 E N 0.659 120.879 120.200 0.033 0.000 2.412 266 E HA 0.356 4.706 4.350 -0.000 0.000 0.279 266 E C -3.071 173.592 176.600 0.106 0.000 0.984 266 E CA -2.496 53.942 56.400 0.063 0.000 0.788 266 E CB 1.820 31.547 29.700 0.045 0.000 1.277 266 E HN -0.191 nan 8.360 nan 0.000 0.455 267 P HA 0.102 nan 4.420 nan 0.000 0.274 267 P C -0.616 176.816 177.300 0.220 0.000 1.237 267 P CA -0.372 62.856 63.100 0.213 0.000 0.793 267 P CB 0.434 32.277 31.700 0.238 0.000 0.977 268 F N 1.257 121.278 119.950 0.118 0.000 2.529 268 F HA 0.360 4.887 4.527 -0.000 0.000 0.365 268 F C 1.335 177.182 175.800 0.078 0.000 1.102 268 F CA 1.311 59.366 58.000 0.093 0.000 1.271 268 F CB -0.130 38.924 39.000 0.090 0.000 1.120 268 F HN 0.698 nan 8.300 nan 0.000 0.579 269 G N 5.619 114.127 108.800 -0.486 0.000 2.324 269 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.292 269 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.292 269 G C 0.337 175.228 174.900 -0.016 0.000 1.079 269 G CA 0.500 45.430 45.100 -0.283 0.000 1.026 269 G HN 1.037 nan 8.290 nan 0.000 0.506 270 Y N 0.305 120.553 120.300 -0.087 0.000 2.069 270 Y HA -0.273 4.277 4.550 -0.000 0.000 0.278 270 Y C 2.670 178.545 175.900 -0.042 0.000 1.175 270 Y CA 2.767 60.857 58.100 -0.017 0.000 1.134 270 Y CB -0.100 38.367 38.460 0.010 0.000 0.965 270 Y HN 0.390 nan 8.280 nan 0.000 0.498 271 M N -0.177 119.484 119.600 0.103 0.000 2.213 271 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 271 M C 2.376 178.624 176.300 -0.087 0.000 1.062 271 M CA 1.487 56.766 55.300 -0.035 0.000 1.105 271 M CB -1.893 30.697 32.600 -0.017 0.000 1.385 271 M HN 0.502 nan 8.290 nan 0.000 0.417 272 G N -0.691 108.082 108.800 -0.046 0.000 2.511 272 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 272 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 272 G C 1.531 176.478 174.900 0.078 0.000 1.133 272 G CA 0.219 45.349 45.100 0.051 0.000 0.792 272 G HN 0.260 nan 8.290 nan 0.000 0.539 273 M N 0.552 120.100 119.600 -0.086 0.000 2.175 273 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 273 M C 2.667 178.836 176.300 -0.218 0.000 1.063 273 M CA 0.751 55.962 55.300 -0.148 0.000 1.119 273 M CB -0.857 31.653 32.600 -0.150 0.000 1.377 273 M HN 0.107 nan 8.290 nan 0.000 0.415 274 V N -1.060 118.614 119.914 -0.401 0.000 2.307 274 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 274 V C 2.073 177.974 176.094 -0.322 0.000 1.045 274 V CA 1.754 63.681 62.300 -0.622 0.000 1.024 274 V CB -0.866 30.344 31.823 -1.021 0.000 0.651 274 V HN 0.628 nan 8.190 nan 0.000 0.449 275 W N 1.286 122.396 121.300 -0.315 0.000 2.338 275 W HA -0.239 4.421 4.660 -0.000 0.000 0.304 275 W C 2.356 178.805 176.519 -0.116 0.000 1.212 275 W CA 2.246 59.482 57.345 -0.183 0.000 1.264 275 W CB -0.327 29.046 29.460 -0.145 0.000 1.142 275 W HN 0.194 nan 8.180 nan 0.000 0.512 276 A N 0.299 122.997 122.820 -0.205 0.000 1.873 276 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 276 A C 2.064 179.462 177.584 -0.309 0.000 1.186 276 A CA 1.997 53.770 52.037 -0.439 0.000 0.616 276 A CB -0.890 18.028 19.000 -0.136 0.000 0.823 276 A HN 0.389 nan 8.150 nan 0.000 0.442 277 M N -0.916 118.593 119.600 -0.151 0.000 2.117 277 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 277 M C 2.373 178.643 176.300 -0.051 0.000 1.065 277 M CA 1.531 56.825 55.300 -0.010 0.000 1.114 277 M CB -0.521 32.123 32.600 0.074 0.000 1.361 277 M HN 0.401 nan 8.290 nan 0.000 0.408 278 M N -0.635 118.888 119.600 -0.127 0.000 2.159 278 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 278 M C 2.224 178.460 176.300 -0.107 0.000 1.063 278 M CA 1.467 56.723 55.300 -0.073 0.000 1.110 278 M CB -0.814 31.731 32.600 -0.092 0.000 1.374 278 M HN 0.231 nan 8.290 nan 0.000 0.411 279 S N 0.920 116.413 115.700 -0.346 0.000 2.368 279 S HA -0.020 4.450 4.470 -0.000 0.000 0.224 279 S C 1.885 176.405 174.600 -0.132 0.000 1.029 279 S CA 0.984 58.984 58.200 -0.334 0.000 0.988 279 S CB -0.277 62.436 63.200 -0.813 0.000 0.838 279 S HN 0.370 nan 8.310 nan 0.000 0.462 280 I N 1.500 121.972 120.570 -0.164 0.000 2.286 280 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 280 I C 2.607 178.634 176.117 -0.151 0.000 1.115 280 I CA 1.132 62.352 61.300 -0.134 0.000 1.392 280 I CB -0.647 37.347 38.000 -0.010 0.000 1.065 280 I HN 0.371 nan 8.210 nan 0.000 0.418 281 G N 0.357 109.147 108.800 -0.018 0.000 2.402 281 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 281 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 281 G C 1.588 176.592 174.900 0.174 0.000 1.162 281 G CA 0.372 45.508 45.100 0.061 0.000 0.777 281 G HN 0.348 nan 8.290 nan 0.000 0.539 282 F N 1.144 121.128 119.950 0.057 0.000 2.102 282 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 282 F C 2.373 178.243 175.800 0.116 0.000 1.105 282 F CA 1.185 59.257 58.000 0.121 0.000 1.239 282 F CB -0.167 38.855 39.000 0.037 0.000 0.991 282 F HN 0.028 nan 8.300 nan 0.000 0.474 283 L N 0.048 121.294 121.223 0.039 0.000 2.141 283 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 283 L C 2.703 179.459 176.870 -0.189 0.000 1.094 283 L CA 1.032 55.821 54.840 -0.086 0.000 0.763 283 L CB -1.427 40.621 42.059 -0.019 0.000 0.908 283 L HN 0.353 nan 8.230 nan 0.000 0.437 284 G N -0.595 108.044 108.800 -0.269 0.000 2.537 284 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 284 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 284 G C 1.192 175.914 174.900 -0.296 0.000 1.111 284 G CA 0.467 45.379 45.100 -0.313 0.000 0.748 284 G HN 0.305 nan 8.290 nan 0.000 0.564 285 F N -0.052 119.778 119.950 -0.199 0.000 2.749 285 F HA 0.307 4.834 4.527 -0.000 0.000 0.300 285 F C 1.847 177.635 175.800 -0.020 0.000 1.103 285 F CA -0.092 57.759 58.000 -0.248 0.000 1.342 285 F CB 0.424 39.250 39.000 -0.291 0.000 1.098 285 F HN 0.229 nan 8.300 nan 0.000 0.586 286 I N -2.162 118.503 120.570 0.158 0.000 3.833 286 I HA 0.255 4.425 4.170 -0.000 0.000 0.328 286 I C 0.395 176.668 176.117 0.261 0.000 1.554 286 I CA -0.006 61.481 61.300 0.313 0.000 1.116 286 I CB 0.206 38.284 38.000 0.131 0.000 1.182 286 I HN -0.106 nan 8.210 nan 0.000 0.459 287 V N -3.343 116.687 119.914 0.193 0.000 3.398 287 V HA 0.222 4.342 4.120 -0.000 0.000 0.298 287 V C 1.690 177.583 176.094 -0.335 0.000 1.496 287 V CA -0.150 62.169 62.300 0.031 0.000 1.044 287 V CB -0.866 30.819 31.823 -0.230 0.000 0.880 287 V HN 0.682 nan 8.190 nan 0.000 0.443 288 W N 2.131 123.344 121.300 -0.146 0.000 2.342 288 W HA 0.042 4.702 4.660 -0.000 0.000 0.297 288 W C 1.911 178.150 176.519 -0.467 0.000 1.213 288 W CA 1.829 59.024 57.345 -0.249 0.000 1.251 288 W CB -0.945 28.544 29.460 0.047 0.000 1.136 288 W HN 0.225 nan 8.180 nan 0.000 0.526 289 A N 1.955 123.707 122.820 -1.780 0.000 2.216 289 A HA -0.212 4.108 4.320 -0.000 0.000 0.214 289 A C 1.842 178.631 177.584 -1.326 0.000 1.160 289 A CA 1.284 52.380 52.037 -1.568 0.000 0.725 289 A CB -1.904 15.919 19.000 -1.962 0.000 0.784 289 A HN 0.802 nan 8.150 nan 0.000 0.472 290 H N -2.310 116.044 119.070 -1.193 0.000 2.554 290 H HA -0.131 4.425 4.556 -0.000 0.000 0.290 290 H C 0.809 175.342 175.328 -1.324 0.000 1.058 290 H CA 1.149 56.221 56.048 -1.626 0.000 1.224 290 H CB -0.445 28.797 29.762 -0.866 0.000 1.359 290 H HN 0.716 nan 8.280 nan 0.000 0.589 291 H N 0.216 118.870 119.070 -0.693 0.000 2.539 291 H HA 0.190 4.746 4.556 -0.000 0.000 0.269 291 H C 0.674 175.661 175.328 -0.568 0.000 0.980 291 H CA 0.347 55.932 56.048 -0.772 0.000 1.152 291 H CB 0.473 29.186 29.762 -1.748 0.000 1.407 291 H HN 0.520 nan 8.280 nan 0.000 0.564 292 M N -0.706 118.582 119.600 -0.520 0.000 2.621 292 M HA 0.098 4.578 4.480 -0.000 0.000 0.421 292 M C 0.193 176.343 176.300 -0.251 0.000 1.180 292 M CA -0.146 54.950 55.300 -0.340 0.000 0.875 292 M CB 0.590 33.015 32.600 -0.291 0.000 1.572 292 M HN -0.080 nan 8.290 nan 0.000 0.541 293 F N 1.145 120.919 119.950 -0.294 0.000 2.408 293 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 293 F C 2.554 178.237 175.800 -0.196 0.000 1.090 293 F CA 1.558 59.428 58.000 -0.216 0.000 1.427 293 F CB -0.824 38.067 39.000 -0.183 0.000 1.070 293 F HN 0.251 nan 8.300 nan 0.000 0.549 294 T N -3.409 111.076 114.554 -0.115 0.000 3.122 294 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 294 T C 1.582 176.265 174.700 -0.029 0.000 1.067 294 T CA 0.673 62.732 62.100 -0.069 0.000 0.966 294 T CB -0.699 68.129 68.868 -0.067 0.000 1.002 294 T HN 0.126 nan 8.240 nan 0.000 0.542 295 V N -1.533 118.358 119.914 -0.038 0.000 3.461 295 V HA 0.554 4.674 4.120 -0.000 0.000 0.267 295 V C 1.459 177.565 176.094 0.020 0.000 1.186 295 V CA 0.416 62.710 62.300 -0.010 0.000 1.154 295 V CB -1.184 30.614 31.823 -0.041 0.000 0.802 295 V HN 0.775 nan 8.190 nan 0.000 0.474 296 G N 0.119 108.937 108.800 0.030 0.000 2.309 296 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.183 296 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.183 296 G C -0.354 174.581 174.900 0.058 0.000 1.063 296 G CA 0.147 45.273 45.100 0.042 0.000 0.768 296 G HN 0.493 nan 8.290 nan 0.000 0.490 297 M N 0.415 120.056 119.600 0.069 0.000 2.444 297 M HA 0.371 4.851 4.480 -0.000 0.000 0.319 297 M C 0.200 176.553 176.300 0.088 0.000 1.183 297 M CA -0.851 54.507 55.300 0.096 0.000 1.032 297 M CB 0.588 33.263 32.600 0.124 0.000 1.569 297 M HN 0.081 nan 8.290 nan 0.000 0.468 298 D N 1.131 121.587 120.400 0.093 0.000 2.548 298 D HA -0.082 4.558 4.640 -0.000 0.000 0.231 298 D C 0.936 177.281 176.300 0.075 0.000 1.142 298 D CA 0.170 54.216 54.000 0.076 0.000 0.866 298 D CB 0.871 41.717 40.800 0.078 0.000 1.190 298 D HN 0.401 nan 8.370 nan 0.000 0.469 299 V N 2.628 122.570 119.914 0.047 0.000 2.332 299 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 299 V C 1.356 177.478 176.094 0.045 0.000 1.055 299 V CA 2.005 64.322 62.300 0.029 0.000 1.038 299 V CB -0.086 31.743 31.823 0.010 0.000 0.651 299 V HN 0.448 nan 8.190 nan 0.000 0.450 300 D N -0.548 119.886 120.400 0.057 0.000 2.117 300 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 300 D C 2.258 178.632 176.300 0.125 0.000 0.987 300 D CA 1.859 55.901 54.000 0.069 0.000 0.829 300 D CB -0.580 40.252 40.800 0.052 0.000 0.961 300 D HN 0.474 nan 8.370 nan 0.000 0.460 301 T N 0.959 115.606 114.554 0.155 0.000 2.720 301 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 301 T C 1.964 176.903 174.700 0.399 0.000 1.037 301 T CA 1.031 63.298 62.100 0.280 0.000 1.144 301 T CB -0.037 68.988 68.868 0.261 0.000 0.864 301 T HN 0.190 nan 8.240 nan 0.000 0.444 302 R N 0.809 121.456 120.500 0.245 0.000 2.092 302 R HA 0.084 4.424 4.340 -0.000 0.000 0.231 302 R C 2.813 179.151 176.300 0.063 0.000 1.119 302 R CA 1.155 57.354 56.100 0.166 0.000 0.970 302 R CB -0.397 29.868 30.300 -0.058 0.000 0.864 302 R HN 0.360 nan 8.270 nan 0.000 0.440 303 A N 0.658 123.508 122.820 0.050 0.000 1.898 303 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 303 A C 1.971 179.558 177.584 0.005 0.000 1.181 303 A CA 1.112 53.150 52.037 0.002 0.000 0.620 303 A CB -0.675 18.331 19.000 0.009 0.000 0.819 303 A HN 0.445 nan 8.150 nan 0.000 0.442 304 Y N -0.502 119.790 120.300 -0.013 0.000 2.070 304 Y HA -0.236 4.314 4.550 -0.000 0.000 0.280 304 Y C 1.938 177.760 175.900 -0.129 0.000 1.148 304 Y CA 2.087 60.116 58.100 -0.118 0.000 1.125 304 Y CB -0.692 37.625 38.460 -0.238 0.000 0.975 304 Y HN 0.240 nan 8.280 nan 0.000 0.492 305 F N 0.274 120.096 119.950 -0.213 0.000 2.269 305 F HA -0.179 4.348 4.527 -0.000 0.000 0.301 305 F C 2.467 178.224 175.800 -0.071 0.000 1.082 305 F CA 1.882 59.747 58.000 -0.226 0.000 1.360 305 F CB -0.926 38.106 39.000 0.055 0.000 1.041 305 F HN 0.050 nan 8.300 nan 0.000 0.512 306 T N -1.026 113.615 114.554 0.144 0.000 2.674 306 T HA -0.170 4.180 4.350 -0.000 0.000 0.265 306 T C 2.280 176.942 174.700 -0.064 0.000 1.039 306 T CA 1.791 63.924 62.100 0.055 0.000 1.150 306 T CB -0.440 68.380 68.868 -0.081 0.000 0.864 306 T HN 0.174 nan 8.240 nan 0.000 0.427 307 S N 1.545 117.149 115.700 -0.159 0.000 2.348 307 S HA -0.060 4.410 4.470 -0.000 0.000 0.221 307 S C 2.595 177.078 174.600 -0.194 0.000 1.033 307 S CA 1.060 59.166 58.200 -0.157 0.000 1.010 307 S CB -0.705 62.398 63.200 -0.160 0.000 0.891 307 S HN 0.579 nan 8.310 nan 0.000 0.442 308 A N 1.453 124.033 122.820 -0.400 0.000 1.883 308 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 308 A C 2.360 179.847 177.584 -0.161 0.000 1.186 308 A CA 2.200 54.019 52.037 -0.363 0.000 0.624 308 A CB -1.513 17.033 19.000 -0.757 0.000 0.822 308 A HN 0.480 nan 8.150 nan 0.000 0.444 309 T N -0.031 114.465 114.554 -0.097 0.000 2.684 309 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 309 T C 1.911 176.624 174.700 0.021 0.000 1.036 309 T CA 1.833 63.953 62.100 0.033 0.000 1.148 309 T CB -0.317 68.654 68.868 0.171 0.000 0.863 309 T HN 0.427 nan 8.240 nan 0.000 0.436 310 M N 0.067 119.665 119.600 -0.003 0.000 2.279 310 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 310 M C 1.986 178.298 176.300 0.020 0.000 1.062 310 M CA 1.257 56.561 55.300 0.006 0.000 1.099 310 M CB -0.437 32.157 32.600 -0.011 0.000 1.394 310 M HN 0.240 nan 8.290 nan 0.000 0.426 311 I N 0.017 120.592 120.570 0.009 0.000 2.614 311 I HA -0.251 3.919 4.170 -0.000 0.000 0.258 311 I C 1.956 178.102 176.117 0.048 0.000 1.189 311 I CA 0.788 62.108 61.300 0.033 0.000 1.462 311 I CB -0.171 37.844 38.000 0.025 0.000 1.092 311 I HN 0.258 nan 8.210 nan 0.000 0.442 312 I N 0.855 121.450 120.570 0.041 0.000 2.530 312 I HA -0.278 3.892 4.170 -0.000 0.000 0.257 312 I C 2.654 178.829 176.117 0.097 0.000 1.179 312 I CA 0.980 62.313 61.300 0.055 0.000 1.440 312 I CB -0.492 37.554 38.000 0.076 0.000 1.087 312 I HN 0.210 nan 8.210 nan 0.000 0.440 313 A N 1.112 123.989 122.820 0.094 0.000 2.015 313 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 313 A C 2.237 179.881 177.584 0.101 0.000 1.163 313 A CA 1.129 53.224 52.037 0.097 0.000 0.646 313 A CB -0.499 18.543 19.000 0.071 0.000 0.806 313 A HN 0.368 nan 8.150 nan 0.000 0.448 314 I N 0.461 121.096 120.570 0.109 0.000 2.090 314 I HA -0.144 4.026 4.170 -0.000 0.000 0.236 314 I C -0.313 175.911 176.117 0.179 0.000 1.064 314 I CA 1.450 62.844 61.300 0.158 0.000 1.324 314 I CB -1.185 36.925 38.000 0.182 0.000 1.044 314 I HN 0.215 nan 8.210 nan 0.000 0.399 315 P HA -0.123 nan 4.420 nan 0.000 0.218 315 P C 1.500 178.797 177.300 -0.005 0.000 1.149 315 P CA 1.634 64.721 63.100 -0.022 0.000 0.817 315 P CB -0.254 31.210 31.700 -0.393 0.000 0.785 316 T N -0.645 113.928 114.554 0.032 0.000 2.904 316 T HA -0.005 4.345 4.350 -0.000 0.000 0.267 316 T C 2.119 176.765 174.700 -0.091 0.000 1.059 316 T CA 1.529 63.641 62.100 0.020 0.000 1.137 316 T CB -0.955 68.052 68.868 0.231 0.000 0.879 316 T HN 0.183 nan 8.240 nan 0.000 0.467 317 G N 1.159 109.935 108.800 -0.040 0.000 2.408 317 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 317 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 317 G C 1.672 176.507 174.900 -0.109 0.000 1.150 317 G CA 0.625 45.620 45.100 -0.174 0.000 0.776 317 G HN 0.417 nan 8.290 nan 0.000 0.542 318 V N 0.825 120.789 119.914 0.084 0.000 2.392 318 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 318 V C 2.808 178.832 176.094 -0.116 0.000 1.059 318 V CA 2.256 64.629 62.300 0.121 0.000 1.051 318 V CB -0.356 31.617 31.823 0.250 0.000 0.658 318 V HN 0.400 nan 8.190 nan 0.000 0.455 319 K N -0.530 119.654 120.400 -0.360 0.000 2.062 319 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 319 K C 2.104 178.070 176.600 -1.056 0.000 1.051 319 K CA 1.183 56.963 56.287 -0.844 0.000 0.941 319 K CB -0.391 31.375 32.500 -1.223 0.000 0.719 319 K HN 0.323 nan 8.250 nan 0.000 0.440 320 V N 1.162 120.645 119.914 -0.718 0.000 2.343 320 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 320 V C 1.987 177.943 176.094 -0.230 0.000 1.051 320 V CA 1.764 63.824 62.300 -0.400 0.000 1.036 320 V CB -0.516 31.092 31.823 -0.358 0.000 0.654 320 V HN 0.214 nan 8.190 nan 0.000 0.451 321 F N 0.281 120.179 119.950 -0.086 0.000 2.234 321 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 321 F C 2.603 178.316 175.800 -0.145 0.000 1.087 321 F CA 1.140 59.092 58.000 -0.079 0.000 1.340 321 F CB -0.373 38.581 39.000 -0.078 0.000 1.031 321 F HN 0.096 nan 8.300 nan 0.000 0.500 322 S N -0.654 115.046 115.700 -0.001 0.000 2.402 322 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 322 S C 1.642 176.285 174.600 0.071 0.000 1.021 322 S CA 0.742 58.948 58.200 0.011 0.000 0.974 322 S CB -0.418 62.846 63.200 0.106 0.000 0.800 322 S HN 0.397 nan 8.310 nan 0.000 0.484 323 W N 1.938 123.283 121.300 0.075 0.000 2.338 323 W HA 0.047 4.707 4.660 -0.000 0.000 0.304 323 W C 1.951 178.505 176.519 0.059 0.000 1.212 323 W CA 0.239 57.626 57.345 0.069 0.000 1.264 323 W CB -1.291 28.208 29.460 0.064 0.000 1.142 323 W HN 0.315 nan 8.180 nan 0.000 0.512 324 L N 0.136 121.517 121.223 0.264 0.000 2.017 324 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 324 L C 2.650 179.560 176.870 0.067 0.000 1.073 324 L CA 1.563 56.504 54.840 0.168 0.000 0.745 324 L CB -1.338 40.829 42.059 0.181 0.000 0.894 324 L HN -0.138 nan 8.230 nan 0.000 0.432 325 A N -0.718 122.049 122.820 -0.089 0.000 2.067 325 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 325 A C 2.279 179.850 177.584 -0.022 0.000 1.158 325 A CA 1.960 53.813 52.037 -0.307 0.000 0.661 325 A CB -0.675 17.612 19.000 -1.189 0.000 0.801 325 A HN 0.399 nan 8.150 nan 0.000 0.452 326 T N 0.236 114.871 114.554 0.136 0.000 2.942 326 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 326 T C 1.719 176.509 174.700 0.151 0.000 1.062 326 T CA 1.062 63.297 62.100 0.225 0.000 1.139 326 T CB -0.264 68.765 68.868 0.269 0.000 0.883 326 T HN 0.391 nan 8.240 nan 0.000 0.468 327 L N 0.157 121.456 121.223 0.127 0.000 2.093 327 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 327 L C 1.333 178.252 176.870 0.082 0.000 1.085 327 L CA 0.555 55.436 54.840 0.068 0.000 0.755 327 L CB -0.709 41.382 42.059 0.054 0.000 0.904 327 L HN 0.316 nan 8.230 nan 0.000 0.435 328 H N 0.741 119.816 119.070 0.009 0.000 3.187 328 H HA 0.148 4.704 4.556 -0.000 0.000 0.286 328 H C 1.133 176.473 175.328 0.019 0.000 0.944 328 H CA 0.472 56.521 56.048 0.002 0.000 1.429 328 H CB 0.076 29.820 29.762 -0.031 0.000 1.483 328 H HN 0.323 nan 8.280 nan 0.000 0.555 329 G N 3.021 111.601 108.800 -0.367 0.000 2.162 329 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 329 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 329 G C 0.682 175.511 174.900 -0.119 0.000 0.976 329 G CA 0.271 45.196 45.100 -0.291 0.000 0.655 329 G HN 1.031 nan 8.290 nan 0.000 0.533 330 G N -0.384 108.372 108.800 -0.073 0.000 2.503 330 G HA2 0.415 4.375 3.960 -0.000 0.000 0.257 330 G HA3 0.415 4.375 3.960 -0.000 0.000 0.257 330 G C 0.089 174.957 174.900 -0.052 0.000 1.214 330 G CA 0.193 45.261 45.100 -0.054 0.000 0.839 330 G HN 0.523 nan 8.290 nan 0.000 0.559 331 N N 1.456 120.125 118.700 -0.051 0.000 2.555 331 N HA 0.068 4.808 4.740 -0.000 0.000 0.244 331 N C 0.088 175.570 175.510 -0.047 0.000 1.114 331 N CA -0.594 52.435 53.050 -0.034 0.000 0.963 331 N CB 0.054 38.520 38.487 -0.035 0.000 1.276 331 N HN 0.107 nan 8.380 nan 0.000 0.510 332 I N 1.908 122.442 120.570 -0.059 0.000 2.471 332 I HA 0.106 4.276 4.170 -0.000 0.000 0.286 332 I C 0.729 176.770 176.117 -0.127 0.000 1.079 332 I CA -0.425 60.774 61.300 -0.169 0.000 1.398 332 I CB 0.337 38.113 38.000 -0.373 0.000 1.403 332 I HN 0.427 nan 8.210 nan 0.000 0.530 333 K N 6.224 126.571 120.400 -0.087 0.000 2.240 333 K HA 0.218 4.538 4.320 -0.000 0.000 0.271 333 K C -0.978 175.585 176.600 -0.061 0.000 1.018 333 K CA -0.158 56.156 56.287 0.045 0.000 0.874 333 K CB 0.432 33.036 32.500 0.173 0.000 1.098 333 K HN 0.388 nan 8.250 nan 0.000 0.458 334 W N 4.819 126.092 121.300 -0.044 0.000 1.809 334 W HA 0.168 4.828 4.660 -0.000 0.000 0.399 334 W C 0.176 176.584 176.519 -0.185 0.000 0.636 334 W CA -0.512 56.758 57.345 -0.124 0.000 2.178 334 W CB -0.224 29.171 29.460 -0.108 0.000 1.632 334 W HN 0.606 nan 8.180 nan 0.000 0.470 335 S N 0.444 116.056 115.700 -0.147 0.000 2.608 335 S HA 0.237 4.707 4.470 -0.000 0.000 0.261 335 S C -1.102 173.315 174.600 -0.305 0.000 1.314 335 S CA -1.025 57.025 58.200 -0.249 0.000 0.992 335 S CB 1.226 64.102 63.200 -0.540 0.000 0.935 335 S HN 0.056 nan 8.310 nan 0.000 0.564 336 P HA -0.056 nan 4.420 nan 0.000 0.216 336 P C 1.578 178.779 177.300 -0.165 0.000 1.153 336 P CA 1.824 64.822 63.100 -0.171 0.000 0.848 336 P CB -0.473 31.249 31.700 0.037 0.000 0.787 337 A N -0.182 122.524 122.820 -0.190 0.000 1.948 337 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 337 A C 2.322 179.718 177.584 -0.314 0.000 1.177 337 A CA 2.600 54.538 52.037 -0.164 0.000 0.636 337 A CB -1.501 17.346 19.000 -0.256 0.000 0.815 337 A HN 0.131 nan 8.150 nan 0.000 0.449 338 M N -0.701 118.520 119.600 -0.631 0.000 2.117 338 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 338 M C 2.082 178.167 176.300 -0.358 0.000 1.065 338 M CA 1.753 56.788 55.300 -0.442 0.000 1.114 338 M CB -0.611 31.694 32.600 -0.491 0.000 1.361 338 M HN 0.447 nan 8.290 nan 0.000 0.408 339 M N -1.731 117.574 119.600 -0.492 0.000 2.080 339 M HA -0.257 4.223 4.480 -0.000 0.000 0.260 339 M C 1.982 177.797 176.300 -0.809 0.000 1.068 339 M CA 2.126 56.925 55.300 -0.834 0.000 1.109 339 M CB -0.652 31.189 32.600 -1.265 0.000 1.342 339 M HN 0.395 nan 8.290 nan 0.000 0.405 340 W N -0.001 121.037 121.300 -0.438 0.000 2.335 340 W HA -0.203 4.457 4.660 -0.000 0.000 0.311 340 W C 2.681 179.308 176.519 0.179 0.000 1.213 340 W CA 1.320 58.658 57.345 -0.013 0.000 1.274 340 W CB -0.580 28.860 29.460 -0.033 0.000 1.148 340 W HN 0.249 nan 8.180 nan 0.000 0.498 341 A N -0.232 122.708 122.820 0.200 0.000 1.972 341 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 341 A C 1.930 179.621 177.584 0.178 0.000 1.169 341 A CA 1.383 53.485 52.037 0.109 0.000 0.635 341 A CB -0.828 18.118 19.000 -0.090 0.000 0.810 341 A HN 0.333 nan 8.150 nan 0.000 0.446 342 L N -1.280 120.016 121.223 0.121 0.000 2.162 342 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 342 L C 2.780 179.857 176.870 0.344 0.000 1.086 342 L CA 0.823 55.755 54.840 0.155 0.000 0.778 342 L CB -0.680 41.395 42.059 0.027 0.000 0.928 342 L HN 0.466 nan 8.230 nan 0.000 0.446 343 G N -0.198 108.897 108.800 0.492 0.000 2.422 343 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 343 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 343 G C 1.484 176.758 174.900 0.623 0.000 1.140 343 G CA 0.378 45.946 45.100 0.780 0.000 0.775 343 G HN 0.272 nan 8.290 nan 0.000 0.545 344 F N 1.564 121.813 119.950 0.498 0.000 2.046 344 F HA -0.079 4.448 4.527 -0.000 0.000 0.297 344 F C 2.509 178.464 175.800 0.259 0.000 1.123 344 F CA 1.523 59.712 58.000 0.315 0.000 1.199 344 F CB -0.226 38.902 39.000 0.214 0.000 0.972 344 F HN 0.103 nan 8.300 nan 0.000 0.474 345 I N -0.549 120.306 120.570 0.474 0.000 2.194 345 I HA -0.327 3.843 4.170 -0.000 0.000 0.246 345 I C 2.338 178.655 176.117 0.333 0.000 1.093 345 I CA 1.813 63.358 61.300 0.409 0.000 1.355 345 I CB -0.703 37.538 38.000 0.402 0.000 1.046 345 I HN 0.282 nan 8.210 nan 0.000 0.413 346 F N 1.273 121.348 119.950 0.208 0.000 2.187 346 F HA -0.026 4.501 4.527 -0.000 0.000 0.295 346 F C 2.063 177.934 175.800 0.118 0.000 1.091 346 F CA 1.400 59.505 58.000 0.174 0.000 1.308 346 F CB -0.176 38.952 39.000 0.213 0.000 1.030 346 F HN -0.158 nan 8.300 nan 0.000 0.487 347 L N -1.153 119.999 121.223 -0.117 0.000 2.162 347 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 347 L C 2.362 179.098 176.870 -0.224 0.000 1.086 347 L CA 0.920 55.604 54.840 -0.259 0.000 0.778 347 L CB -0.958 40.972 42.059 -0.215 0.000 0.928 347 L HN 0.182 nan 8.230 nan 0.000 0.446 348 F N 1.210 120.913 119.950 -0.412 0.000 2.120 348 F HA -0.307 4.220 4.527 -0.000 0.000 0.300 348 F C 2.396 178.074 175.800 -0.203 0.000 1.095 348 F CA 2.183 59.948 58.000 -0.391 0.000 1.249 348 F CB -0.381 38.177 39.000 -0.736 0.000 0.995 348 F HN -0.061 nan 8.300 nan 0.000 0.480 349 T N 0.051 114.512 114.554 -0.154 0.000 2.746 349 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 349 T C 2.143 176.645 174.700 -0.331 0.000 1.039 349 T CA 1.519 63.504 62.100 -0.191 0.000 1.142 349 T CB -0.560 68.290 68.868 -0.031 0.000 0.866 349 T HN 0.141 nan 8.240 nan 0.000 0.444 350 V N 1.335 120.990 119.914 -0.431 0.000 2.261 350 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 350 V C 2.855 178.715 176.094 -0.390 0.000 1.047 350 V CA 2.118 64.138 62.300 -0.466 0.000 1.015 350 V CB -1.309 30.118 31.823 -0.660 0.000 0.642 350 V HN 0.588 nan 8.190 nan 0.000 0.446 351 G N -0.279 108.311 108.800 -0.350 0.000 2.408 351 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 351 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 351 G C 1.635 176.429 174.900 -0.176 0.000 1.150 351 G CA 0.866 45.828 45.100 -0.230 0.000 0.776 351 G HN 0.593 nan 8.290 nan 0.000 0.542 352 G N 0.972 109.508 108.800 -0.441 0.000 2.440 352 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 352 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 352 G C 1.788 176.602 174.900 -0.143 0.000 1.154 352 G CA 0.798 45.695 45.100 -0.338 0.000 0.767 352 G HN 0.431 nan 8.290 nan 0.000 0.552 353 L N 1.033 122.158 121.223 -0.163 0.000 2.109 353 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 353 L C 3.272 180.095 176.870 -0.078 0.000 1.086 353 L CA 1.607 56.385 54.840 -0.105 0.000 0.760 353 L CB -0.660 41.331 42.059 -0.112 0.000 0.910 353 L HN 0.400 nan 8.230 nan 0.000 0.437 354 T N -3.542 110.965 114.554 -0.078 0.000 2.995 354 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 354 T C 1.933 176.560 174.700 -0.122 0.000 1.091 354 T CA 0.746 62.836 62.100 -0.017 0.000 1.128 354 T CB -0.587 68.216 68.868 -0.108 0.000 0.891 354 T HN 0.364 nan 8.240 nan 0.000 0.492 355 G N 2.251 110.892 108.800 -0.264 0.000 2.421 355 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 355 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 355 G C 1.484 176.226 174.900 -0.263 0.000 1.171 355 G CA 0.741 45.483 45.100 -0.596 0.000 0.775 355 G HN 0.454 nan 8.290 nan 0.000 0.543 356 I N 1.023 121.517 120.570 -0.126 0.000 2.264 356 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 356 I C 2.985 179.060 176.117 -0.071 0.000 1.111 356 I CA 0.754 62.010 61.300 -0.074 0.000 1.382 356 I CB -1.094 36.883 38.000 -0.038 0.000 1.060 356 I HN 0.032 nan 8.210 nan 0.000 0.418 357 V N 1.183 121.065 119.914 -0.053 0.000 2.250 357 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 357 V C 2.526 178.574 176.094 -0.075 0.000 1.060 357 V CA 1.863 64.139 62.300 -0.040 0.000 1.030 357 V CB -0.615 31.233 31.823 0.042 0.000 0.643 357 V HN 0.352 nan 8.190 nan 0.000 0.445 358 L N -0.177 120.994 121.223 -0.087 0.000 2.313 358 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 358 L C 2.536 179.375 176.870 -0.053 0.000 1.119 358 L CA 0.902 55.688 54.840 -0.091 0.000 0.809 358 L CB -0.637 41.322 42.059 -0.166 0.000 0.933 358 L HN 0.333 nan 8.230 nan 0.000 0.449 359 A N -0.487 122.287 122.820 -0.076 0.000 2.125 359 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 359 A C 0.978 178.604 177.584 0.070 0.000 1.156 359 A CA 0.897 52.954 52.037 0.033 0.000 0.671 359 A CB -0.533 18.455 19.000 -0.021 0.000 0.794 359 A HN 0.397 nan 8.150 nan 0.000 0.459 360 N N 1.011 119.683 118.700 -0.047 0.000 2.482 360 N HA 0.099 4.839 4.740 -0.000 0.000 0.242 360 N C 1.148 176.504 175.510 -0.258 0.000 1.100 360 N CA 0.671 53.637 53.050 -0.141 0.000 0.946 360 N CB 1.118 39.536 38.487 -0.115 0.000 1.227 360 N HN 0.518 nan 8.380 nan 0.000 0.508 361 S N 0.918 116.265 115.700 -0.588 0.000 2.419 361 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 361 S C 1.861 176.199 174.600 -0.438 0.000 1.019 361 S CA 0.951 58.576 58.200 -0.958 0.000 0.982 361 S CB 0.013 62.170 63.200 -1.737 0.000 0.789 361 S HN 0.363 nan 8.310 nan 0.000 0.490 362 S N 2.089 117.612 115.700 -0.295 0.000 2.351 362 S HA 0.020 4.490 4.470 -0.000 0.000 0.220 362 S C 1.800 176.319 174.600 -0.135 0.000 1.035 362 S CA 1.558 59.654 58.200 -0.174 0.000 1.031 362 S CB -0.678 62.440 63.200 -0.137 0.000 0.928 362 S HN 0.475 nan 8.310 nan 0.000 0.433 363 L N 1.005 122.147 121.223 -0.136 0.000 2.083 363 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 363 L C 2.278 179.083 176.870 -0.108 0.000 1.083 363 L CA 1.495 56.260 54.840 -0.125 0.000 0.752 363 L CB -0.531 41.441 42.059 -0.145 0.000 0.899 363 L HN 0.325 nan 8.230 nan 0.000 0.433 364 D N -0.095 120.252 120.400 -0.088 0.000 2.265 364 D HA -0.207 4.433 4.640 -0.000 0.000 0.208 364 D C 2.095 178.422 176.300 0.045 0.000 0.977 364 D CA 0.704 54.707 54.000 0.006 0.000 0.871 364 D CB 0.199 41.091 40.800 0.153 0.000 0.925 364 D HN 0.103 nan 8.370 nan 0.000 0.485 365 I N 0.210 120.776 120.570 -0.007 0.000 2.151 365 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 365 I C 2.253 178.395 176.117 0.043 0.000 1.080 365 I CA 0.867 62.180 61.300 0.020 0.000 1.339 365 I CB -1.067 36.923 38.000 -0.016 0.000 1.039 365 I HN 0.072 nan 8.210 nan 0.000 0.409 366 V N 0.162 120.075 119.914 -0.001 0.000 2.951 366 V HA -0.064 4.056 4.120 -0.000 0.000 0.255 366 V C 2.211 178.298 176.094 -0.011 0.000 1.088 366 V CA 0.835 63.131 62.300 -0.006 0.000 1.109 366 V CB -0.040 31.762 31.823 -0.035 0.000 0.724 366 V HN 0.312 nan 8.190 nan 0.000 0.471 367 L N -1.459 119.752 121.223 -0.020 0.000 2.515 367 L HA 0.230 4.570 4.340 -0.000 0.000 0.223 367 L C 1.169 178.065 176.870 0.042 0.000 1.079 367 L CA -0.093 54.725 54.840 -0.038 0.000 0.857 367 L CB -0.228 41.728 42.059 -0.172 0.000 1.050 367 L HN 0.362 nan 8.230 nan 0.000 0.476 368 H N 1.500 120.569 119.070 -0.001 0.000 3.140 368 H HA -0.138 4.418 4.556 -0.000 0.000 0.316 368 H C 0.456 175.795 175.328 0.019 0.000 0.986 368 H CA 0.871 56.930 56.048 0.019 0.000 1.397 368 H CB 0.093 29.875 29.762 0.033 0.000 1.377 368 H HN 0.141 nan 8.280 nan 0.000 0.585 369 D N 2.215 122.205 120.400 -0.683 0.000 3.012 369 D HA -0.205 4.435 4.640 -0.000 0.000 0.222 369 D C -0.306 175.845 176.300 -0.249 0.000 1.167 369 D CA 1.433 55.119 54.000 -0.522 0.000 0.854 369 D CB -0.913 39.569 40.800 -0.531 0.000 1.107 369 D HN 0.767 nan 8.370 nan 0.000 0.421 370 T N -4.103 110.354 114.554 -0.161 0.000 2.910 370 T HA 0.432 4.782 4.350 -0.000 0.000 0.287 370 T C 1.023 175.653 174.700 -0.115 0.000 1.050 370 T CA -0.717 61.320 62.100 -0.105 0.000 1.011 370 T CB 0.854 69.706 68.868 -0.026 0.000 1.195 370 T HN -0.054 nan 8.240 nan 0.000 0.540 371 Y N -0.510 119.735 120.300 -0.091 0.000 2.716 371 Y HA 0.018 4.568 4.550 -0.000 0.000 0.302 371 Y C 1.900 177.742 175.900 -0.096 0.000 1.160 371 Y CA 0.751 58.793 58.100 -0.097 0.000 1.362 371 Y CB -0.547 37.829 38.460 -0.139 0.000 0.988 371 Y HN 0.810 nan 8.280 nan 0.000 0.546 372 Y N -1.022 119.242 120.300 -0.060 0.000 2.242 372 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 372 Y C 2.169 178.023 175.900 -0.077 0.000 1.137 372 Y CA 1.415 59.473 58.100 -0.071 0.000 1.181 372 Y CB -0.241 38.199 38.460 -0.033 0.000 0.989 372 Y HN -0.096 nan 8.280 nan 0.000 0.527 373 V N -1.009 118.961 119.914 0.093 0.000 2.295 373 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 373 V C 2.264 178.300 176.094 -0.096 0.000 1.049 373 V CA 1.784 64.156 62.300 0.120 0.000 1.024 373 V CB -0.986 30.940 31.823 0.172 0.000 0.648 373 V HN 0.312 nan 8.190 nan 0.000 0.447 374 V N 0.606 120.301 119.914 -0.365 0.000 2.287 374 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 374 V C 2.749 178.447 176.094 -0.660 0.000 1.053 374 V CA 2.136 63.922 62.300 -0.856 0.000 1.027 374 V CB -1.418 30.028 31.823 -0.627 0.000 0.646 374 V HN 0.555 nan 8.190 nan 0.000 0.447 375 A N 0.108 122.672 122.820 -0.427 0.000 1.865 375 A HA -0.335 3.985 4.320 -0.000 0.000 0.217 375 A C 2.147 179.500 177.584 -0.386 0.000 1.191 375 A CA 2.502 54.249 52.037 -0.483 0.000 0.623 375 A CB -1.011 17.342 19.000 -1.078 0.000 0.826 375 A HN 0.794 nan 8.150 nan 0.000 0.444 376 H N 0.126 118.940 119.070 -0.427 0.000 2.289 376 H HA -0.256 4.300 4.556 -0.000 0.000 0.294 376 H C 1.619 176.862 175.328 -0.142 0.000 1.095 376 H CA 2.703 58.604 56.048 -0.246 0.000 1.256 376 H CB -0.719 28.958 29.762 -0.142 0.000 1.359 376 H HN 0.643 nan 8.280 nan 0.000 0.487 377 F N -1.879 117.742 119.950 -0.549 0.000 2.569 377 F HA 0.170 4.697 4.527 -0.000 0.000 0.295 377 F C 1.838 177.271 175.800 -0.613 0.000 1.115 377 F CA 0.308 57.902 58.000 -0.677 0.000 1.450 377 F CB -0.489 38.243 39.000 -0.446 0.000 1.107 377 F HN 0.145 nan 8.300 nan 0.000 0.563 378 H N -1.182 117.439 119.070 -0.747 0.000 2.462 378 H HA -0.027 4.529 4.556 -0.000 0.000 0.292 378 H C 1.414 176.260 175.328 -0.802 0.000 1.049 378 H CA 1.991 57.472 56.048 -0.945 0.000 1.334 378 H CB -0.433 28.167 29.762 -1.936 0.000 1.404 378 H HN 0.282 nan 8.280 nan 0.000 0.544 379 Y N 0.279 120.273 120.300 -0.509 0.000 2.114 379 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 379 Y C 2.637 178.319 175.900 -0.364 0.000 1.143 379 Y CA 1.480 59.345 58.100 -0.393 0.000 1.135 379 Y CB -0.448 37.816 38.460 -0.326 0.000 0.980 379 Y HN 0.145 nan 8.280 nan 0.000 0.499 380 V N -2.134 117.624 119.914 -0.260 0.000 2.515 380 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 380 V C 1.877 177.903 176.094 -0.114 0.000 1.058 380 V CA 1.597 63.788 62.300 -0.182 0.000 1.064 380 V CB -0.850 30.838 31.823 -0.224 0.000 0.675 380 V HN 0.388 nan 8.190 nan 0.000 0.461 381 L N -0.098 121.009 121.223 -0.193 0.000 2.200 381 L HA 0.103 4.442 4.340 -0.000 0.000 0.200 381 L C 2.658 179.474 176.870 -0.089 0.000 1.072 381 L CA 1.500 56.250 54.840 -0.150 0.000 0.787 381 L CB -0.211 41.720 42.059 -0.214 0.000 0.957 381 L HN 0.373 nan 8.230 nan 0.000 0.459 382 S N -1.147 114.458 115.700 -0.159 0.000 2.548 382 S HA 0.156 4.626 4.470 -0.000 0.000 0.215 382 S C 1.474 176.078 174.600 0.007 0.000 0.976 382 S CA 0.281 58.452 58.200 -0.049 0.000 0.908 382 S CB 0.195 63.334 63.200 -0.102 0.000 0.781 382 S HN 0.278 nan 8.310 nan 0.000 0.519 383 M N -0.913 118.594 119.600 -0.156 0.000 2.260 383 M HA 0.311 4.791 4.480 -0.000 0.000 0.326 383 M C 1.640 177.821 176.300 -0.199 0.000 0.930 383 M CA 0.175 55.244 55.300 -0.385 0.000 1.051 383 M CB 0.813 32.989 32.600 -0.706 0.000 1.748 383 M HN 0.283 nan 8.290 nan 0.000 0.606 384 G N 0.336 109.123 108.800 -0.021 0.000 2.724 384 G HA2 0.178 4.138 3.960 -0.000 0.000 0.217 384 G HA3 0.178 4.138 3.960 -0.000 0.000 0.217 384 G C 1.457 176.657 174.900 0.499 0.000 1.251 384 G CA 0.757 45.929 45.100 0.120 0.000 0.867 384 G HN 0.339 nan 8.290 nan 0.000 0.590 385 A N 0.136 123.122 122.820 0.276 0.000 1.865 385 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 385 A C 2.580 180.304 177.584 0.233 0.000 1.191 385 A CA 2.225 54.390 52.037 0.214 0.000 0.623 385 A CB -0.910 18.126 19.000 0.060 0.000 0.826 385 A HN 0.311 nan 8.150 nan 0.000 0.444 386 V N -1.359 118.703 119.914 0.247 0.000 2.358 386 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 386 V C 2.319 178.590 176.094 0.294 0.000 1.047 386 V CA 1.971 64.416 62.300 0.241 0.000 1.035 386 V CB -0.929 31.047 31.823 0.254 0.000 0.658 386 V HN 0.603 nan 8.190 nan 0.000 0.452 387 F N 0.370 120.473 119.950 0.255 0.000 2.134 387 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 387 F C 2.470 178.415 175.800 0.241 0.000 1.097 387 F CA 1.090 59.341 58.000 0.419 0.000 1.264 387 F CB -0.400 39.011 39.000 0.685 0.000 1.001 387 F HN 0.128 nan 8.300 nan 0.000 0.479 388 A N 0.448 123.490 122.820 0.370 0.000 1.902 388 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 388 A C 2.100 179.653 177.584 -0.052 0.000 1.181 388 A CA 1.466 53.505 52.037 0.005 0.000 0.623 388 A CB -1.038 17.890 19.000 -0.119 0.000 0.818 388 A HN 0.375 nan 8.150 nan 0.000 0.443 389 I N -0.787 119.796 120.570 0.021 0.000 2.163 389 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 389 I C 2.582 178.698 176.117 -0.002 0.000 1.085 389 I CA 1.344 62.676 61.300 0.054 0.000 1.347 389 I CB -0.190 37.895 38.000 0.143 0.000 1.044 389 I HN 0.261 nan 8.210 nan 0.000 0.408 390 M N -0.054 119.369 119.600 -0.294 0.000 2.200 390 M HA -0.028 4.452 4.480 -0.000 0.000 0.265 390 M C 2.373 178.326 176.300 -0.580 0.000 1.066 390 M CA 1.545 56.450 55.300 -0.660 0.000 1.127 390 M CB -1.911 29.545 32.600 -1.906 0.000 1.379 390 M HN 0.296 nan 8.290 nan 0.000 0.420 391 G N -0.049 108.519 108.800 -0.386 0.000 2.459 391 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 391 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 391 G C 1.591 176.463 174.900 -0.047 0.000 1.183 391 G CA 1.091 46.156 45.100 -0.057 0.000 0.776 391 G HN 0.531 nan 8.290 nan 0.000 0.552 392 G N 0.277 109.028 108.800 -0.081 0.000 2.440 392 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 392 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 392 G C 1.658 176.765 174.900 0.345 0.000 1.154 392 G CA 1.051 46.134 45.100 -0.028 0.000 0.767 392 G HN 0.381 nan 8.290 nan 0.000 0.552 393 F N 1.776 121.894 119.950 0.279 0.000 2.128 393 F HA -0.059 4.468 4.527 -0.000 0.000 0.295 393 F C 2.721 178.662 175.800 0.236 0.000 1.100 393 F CA 1.693 59.965 58.000 0.453 0.000 1.260 393 F CB -0.398 38.791 39.000 0.315 0.000 1.009 393 F HN 0.068 nan 8.300 nan 0.000 0.476 394 V N -1.148 118.877 119.914 0.184 0.000 2.427 394 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 394 V C 2.439 178.543 176.094 0.017 0.000 1.051 394 V CA 2.432 64.766 62.300 0.057 0.000 1.048 394 V CB -1.466 30.468 31.823 0.186 0.000 0.666 394 V HN 0.520 nan 8.190 nan 0.000 0.456 395 H N -1.035 117.970 119.070 -0.109 0.000 2.353 395 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 395 H C 1.773 176.956 175.328 -0.242 0.000 1.090 395 H CA 2.421 58.327 56.048 -0.237 0.000 1.327 395 H CB -0.153 29.285 29.762 -0.540 0.000 1.383 395 H HN 0.591 nan 8.280 nan 0.000 0.508 396 W N -0.958 120.148 121.300 -0.322 0.000 3.058 396 W HA 0.080 4.740 4.660 -0.000 0.000 0.306 396 W C 1.528 177.337 176.519 -1.184 0.000 1.188 396 W CA -0.357 56.466 57.345 -0.871 0.000 1.651 396 W CB -0.779 28.058 29.460 -1.039 0.000 1.051 396 W HN 0.165 nan 8.180 nan 0.000 0.592 397 F N 3.046 122.545 119.950 -0.752 0.000 2.085 397 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 397 F C -0.815 174.665 175.800 -0.533 0.000 1.096 397 F CA 2.190 59.719 58.000 -0.786 0.000 1.227 397 F CB -1.496 36.967 39.000 -0.894 0.000 0.983 397 F HN -0.254 nan 8.300 nan 0.000 0.482 398 P HA -0.160 nan 4.420 nan 0.000 0.218 398 P C 1.851 178.975 177.300 -0.294 0.000 1.149 398 P CA 1.202 64.184 63.100 -0.197 0.000 0.817 398 P CB -0.130 31.630 31.700 0.100 0.000 0.785 399 L N -1.371 119.543 121.223 -0.514 0.000 2.017 399 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 399 L C 1.911 178.442 176.870 -0.564 0.000 1.073 399 L CA 2.085 56.495 54.840 -0.718 0.000 0.745 399 L CB -1.333 39.912 42.059 -1.357 0.000 0.894 399 L HN -0.148 nan 8.230 nan 0.000 0.432 400 F N -0.736 118.675 119.950 -0.899 0.000 2.293 400 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 400 F C 2.719 178.134 175.800 -0.641 0.000 1.089 400 F CA 0.815 58.111 58.000 -1.173 0.000 1.377 400 F CB -1.593 36.602 39.000 -1.343 0.000 1.051 400 F HN 0.364 nan 8.300 nan 0.000 0.511 401 S N -1.433 113.922 115.700 -0.575 0.000 2.497 401 S HA 0.413 4.883 4.470 -0.000 0.000 0.221 401 S C 1.865 176.139 174.600 -0.543 0.000 1.037 401 S CA 0.511 58.405 58.200 -0.511 0.000 0.920 401 S CB 0.230 62.853 63.200 -0.962 0.000 0.800 401 S HN 0.495 nan 8.310 nan 0.000 0.505 402 G N 0.026 108.520 108.800 -0.510 0.000 2.176 402 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 402 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 402 G C -0.283 174.331 174.900 -0.477 0.000 0.979 402 G CA 0.450 45.249 45.100 -0.502 0.000 0.641 402 G HN 0.535 nan 8.290 nan 0.000 0.530 403 Y N 0.707 120.896 120.300 -0.185 0.000 2.477 403 Y HA 0.653 5.203 4.550 -0.000 0.000 0.347 403 Y C 0.783 176.694 175.900 0.019 0.000 0.981 403 Y CA -0.695 57.357 58.100 -0.080 0.000 1.033 403 Y CB 1.839 40.228 38.460 -0.118 0.000 1.245 403 Y HN 0.344 nan 8.280 nan 0.000 0.455 404 T N 0.427 115.113 114.554 0.220 0.000 2.934 404 T HA 0.761 5.111 4.350 -0.000 0.000 0.283 404 T C -0.235 174.536 174.700 0.119 0.000 1.005 404 T CA -0.811 61.383 62.100 0.158 0.000 1.041 404 T CB 0.854 69.776 68.868 0.090 0.000 1.042 404 T HN 0.479 nan 8.240 nan 0.000 0.505 405 L N 1.784 123.039 121.223 0.054 0.000 2.439 405 L HA 0.413 4.753 4.340 -0.000 0.000 0.259 405 L C 1.023 177.901 176.870 0.012 0.000 1.129 405 L CA -1.140 53.664 54.840 -0.061 0.000 0.803 405 L CB 0.560 42.543 42.059 -0.127 0.000 1.161 405 L HN 0.722 nan 8.230 nan 0.000 0.462 406 N N 0.763 119.486 118.700 0.038 0.000 2.408 406 N HA -0.013 4.727 4.740 -0.000 0.000 0.257 406 N C 0.050 175.654 175.510 0.157 0.000 1.064 406 N CA -0.084 53.044 53.050 0.131 0.000 0.952 406 N CB 1.239 39.883 38.487 0.263 0.000 1.093 406 N HN 0.520 nan 8.380 nan 0.000 0.490 407 D N 2.250 122.712 120.400 0.103 0.000 2.178 407 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 407 D C 1.159 177.515 176.300 0.092 0.000 0.980 407 D CA 1.503 55.557 54.000 0.090 0.000 0.842 407 D CB 0.284 41.115 40.800 0.051 0.000 0.948 407 D HN 0.567 nan 8.370 nan 0.000 0.472 408 T N -1.037 113.552 114.554 0.058 0.000 2.851 408 T HA -0.102 4.248 4.350 -0.000 0.000 0.262 408 T C 1.682 176.405 174.700 0.039 0.000 1.043 408 T CA 0.604 62.694 62.100 -0.018 0.000 1.140 408 T CB -0.431 68.356 68.868 -0.134 0.000 0.872 408 T HN 0.306 nan 8.240 nan 0.000 0.446 409 W N 1.583 122.942 121.300 0.097 0.000 2.338 409 W HA -0.085 4.575 4.660 -0.000 0.000 0.304 409 W C 2.846 179.475 176.519 0.182 0.000 1.212 409 W CA 0.702 58.134 57.345 0.146 0.000 1.264 409 W CB -0.325 29.219 29.460 0.140 0.000 1.142 409 W HN 0.212 nan 8.180 nan 0.000 0.512 410 A N 0.408 123.474 122.820 0.410 0.000 1.933 410 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 410 A C 1.812 179.593 177.584 0.328 0.000 1.175 410 A CA 1.857 54.126 52.037 0.386 0.000 0.628 410 A CB -0.594 18.577 19.000 0.284 0.000 0.814 410 A HN 0.337 nan 8.150 nan 0.000 0.444 411 K N -0.483 120.037 120.400 0.199 0.000 2.155 411 K HA 0.070 4.390 4.320 -0.000 0.000 0.203 411 K C 1.664 178.364 176.600 0.167 0.000 1.052 411 K CA 1.144 57.504 56.287 0.121 0.000 0.948 411 K CB -0.274 32.246 32.500 0.034 0.000 0.728 411 K HN 0.513 nan 8.250 nan 0.000 0.448 412 I N 0.734 121.426 120.570 0.203 0.000 2.179 412 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 412 I C 2.674 178.957 176.117 0.277 0.000 1.088 412 I CA 1.351 62.774 61.300 0.206 0.000 1.357 412 I CB -0.472 37.656 38.000 0.213 0.000 1.051 412 I HN 0.328 nan 8.210 nan 0.000 0.409 413 H N 0.905 120.148 119.070 0.289 0.000 2.265 413 H HA -0.327 4.229 4.556 -0.000 0.000 0.293 413 H C 2.349 177.810 175.328 0.223 0.000 1.089 413 H CA 2.542 58.769 56.048 0.299 0.000 1.244 413 H CB -0.285 29.702 29.762 0.375 0.000 1.355 413 H HN 0.291 nan 8.280 nan 0.000 0.485 414 F N 1.502 121.292 119.950 -0.267 0.000 2.045 414 F HA -0.323 4.204 4.527 -0.000 0.000 0.297 414 F C 2.707 178.281 175.800 -0.377 0.000 1.114 414 F CA 2.268 59.786 58.000 -0.804 0.000 1.207 414 F CB -1.061 37.377 39.000 -0.938 0.000 0.964 414 F HN 0.280 nan 8.300 nan 0.000 0.486 415 A N 0.563 123.215 122.820 -0.281 0.000 1.883 415 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 415 A C 2.340 179.842 177.584 -0.136 0.000 1.186 415 A CA 2.157 54.048 52.037 -0.244 0.000 0.624 415 A CB -1.279 17.708 19.000 -0.021 0.000 0.822 415 A HN 0.548 nan 8.150 nan 0.000 0.444 416 I N -1.715 118.838 120.570 -0.028 0.000 2.163 416 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 416 I C 2.625 178.767 176.117 0.042 0.000 1.081 416 I CA 1.779 63.109 61.300 0.051 0.000 1.353 416 I CB -0.348 37.733 38.000 0.134 0.000 1.054 416 I HN 0.346 nan 8.210 nan 0.000 0.407 417 M N 0.698 120.310 119.600 0.019 0.000 2.088 417 M HA -0.313 4.167 4.480 -0.000 0.000 0.256 417 M C 2.161 178.509 176.300 0.080 0.000 1.071 417 M CA 2.109 57.444 55.300 0.058 0.000 1.097 417 M CB -0.748 31.894 32.600 0.070 0.000 1.315 417 M HN 0.214 nan 8.290 nan 0.000 0.406 418 F N -0.627 119.175 119.950 -0.246 0.000 2.095 418 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 418 F C 1.936 177.716 175.800 -0.034 0.000 1.104 418 F CA 1.812 59.741 58.000 -0.118 0.000 1.232 418 F CB -0.463 38.243 39.000 -0.489 0.000 0.987 418 F HN -0.014 nan 8.300 nan 0.000 0.475 419 V N 0.152 120.138 119.914 0.120 0.000 2.261 419 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 419 V C 2.706 178.803 176.094 0.005 0.000 1.047 419 V CA 2.059 64.403 62.300 0.073 0.000 1.015 419 V CB -1.617 30.257 31.823 0.085 0.000 0.642 419 V HN 0.532 nan 8.190 nan 0.000 0.446 420 G N 0.300 109.116 108.800 0.027 0.000 2.402 420 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 420 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 420 G C 1.767 176.645 174.900 -0.035 0.000 1.162 420 G CA 1.383 46.491 45.100 0.014 0.000 0.777 420 G HN 0.551 nan 8.290 nan 0.000 0.539 421 V N -0.281 119.635 119.914 0.005 0.000 2.332 421 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 421 V C 2.262 178.302 176.094 -0.091 0.000 1.055 421 V CA 2.221 64.532 62.300 0.018 0.000 1.038 421 V CB -0.703 31.189 31.823 0.115 0.000 0.651 421 V HN 0.247 nan 8.190 nan 0.000 0.450 422 N N -0.044 118.553 118.700 -0.172 0.000 2.142 422 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 422 N C 1.869 177.375 175.510 -0.007 0.000 1.023 422 N CA 2.114 55.094 53.050 -0.117 0.000 0.852 422 N CB -0.292 38.054 38.487 -0.235 0.000 0.998 422 N HN 0.593 nan 8.380 nan 0.000 0.424 423 M N 0.840 120.413 119.600 -0.046 0.000 2.080 423 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 423 M C 1.691 177.926 176.300 -0.109 0.000 1.068 423 M CA 1.411 56.696 55.300 -0.024 0.000 1.109 423 M CB -0.177 32.415 32.600 -0.013 0.000 1.342 423 M HN 0.045 nan 8.290 nan 0.000 0.405 424 T N -0.021 114.366 114.554 -0.278 0.000 2.708 424 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 424 T C 1.224 175.504 174.700 -0.700 0.000 1.037 424 T CA 1.696 63.437 62.100 -0.599 0.000 1.146 424 T CB -0.360 67.894 68.868 -1.023 0.000 0.865 424 T HN 0.410 nan 8.240 nan 0.000 0.435 425 F N -0.930 118.935 119.950 -0.141 0.000 2.622 425 F HA 0.351 4.878 4.527 -0.000 0.000 0.288 425 F C 1.773 177.520 175.800 -0.088 0.000 1.120 425 F CA -0.635 57.254 58.000 -0.184 0.000 1.423 425 F CB -0.246 38.561 39.000 -0.321 0.000 1.127 425 F HN 0.000 nan 8.300 nan 0.000 0.588 426 F N 2.715 122.714 119.950 0.081 0.000 2.095 426 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 426 F C -0.853 174.732 175.800 -0.359 0.000 1.104 426 F CA 1.548 59.567 58.000 0.031 0.000 1.232 426 F CB -1.561 37.459 39.000 0.033 0.000 0.987 426 F HN -0.149 nan 8.300 nan 0.000 0.475 427 P HA -0.165 nan 4.420 nan 0.000 0.222 427 P C 1.098 178.053 177.300 -0.576 0.000 1.147 427 P CA 1.532 64.275 63.100 -0.595 0.000 0.790 427 P CB -0.186 31.483 31.700 -0.051 0.000 0.780 428 Q N -1.682 117.862 119.800 -0.426 0.000 2.291 428 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 428 Q C 1.740 177.494 176.000 -0.411 0.000 0.976 428 Q CA 1.155 56.769 55.803 -0.317 0.000 0.875 428 Q CB -0.695 27.984 28.738 -0.098 0.000 0.927 428 Q HN 0.528 nan 8.270 nan 0.000 0.450 429 H N -0.470 118.226 119.070 -0.623 0.000 2.319 429 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 429 H C 1.539 176.713 175.328 -0.257 0.000 1.092 429 H CA 1.711 57.418 56.048 -0.569 0.000 1.302 429 H CB -0.089 29.118 29.762 -0.926 0.000 1.373 429 H HN 0.200 nan 8.280 nan 0.000 0.497 430 F N 0.322 120.116 119.950 -0.260 0.000 2.134 430 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 430 F C 2.250 178.025 175.800 -0.042 0.000 1.097 430 F CA 0.852 58.701 58.000 -0.250 0.000 1.264 430 F CB -1.036 37.511 39.000 -0.755 0.000 1.001 430 F HN 0.086 nan 8.300 nan 0.000 0.479 431 L N -0.468 120.833 121.223 0.131 0.000 2.131 431 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 431 L C 2.687 179.609 176.870 0.087 0.000 1.092 431 L CA 1.281 56.202 54.840 0.134 0.000 0.759 431 L CB -1.272 40.739 42.059 -0.079 0.000 0.903 431 L HN 0.257 nan 8.230 nan 0.000 0.435 432 G N 0.047 108.926 108.800 0.133 0.000 2.424 432 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 432 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 432 G C 1.577 176.572 174.900 0.158 0.000 1.202 432 G CA 0.298 45.501 45.100 0.173 0.000 0.793 432 G HN 0.193 nan 8.290 nan 0.000 0.534 433 L N 1.622 122.967 121.223 0.204 0.000 2.089 433 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 433 L C 2.985 179.926 176.870 0.119 0.000 1.079 433 L CA 1.722 56.627 54.840 0.109 0.000 0.758 433 L CB -0.370 41.769 42.059 0.133 0.000 0.891 433 L HN 0.452 nan 8.230 nan 0.000 0.433 434 S N -1.151 114.668 115.700 0.198 0.000 2.575 434 S HA 0.254 4.724 4.470 -0.000 0.000 0.215 434 S C 1.331 176.127 174.600 0.326 0.000 0.966 434 S CA 0.251 58.606 58.200 0.259 0.000 0.911 434 S CB 0.623 64.032 63.200 0.349 0.000 0.780 434 S HN 0.562 nan 8.310 nan 0.000 0.514 435 G N 1.344 110.252 108.800 0.179 0.000 2.134 435 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.209 435 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.209 435 G C -0.137 174.708 174.900 -0.092 0.000 0.993 435 G CA 0.004 45.157 45.100 0.089 0.000 0.669 435 G HN 0.586 nan 8.290 nan 0.000 0.519 436 M N 1.535 120.900 119.600 -0.392 0.000 2.268 436 M HA 0.355 4.835 4.480 -0.000 0.000 0.349 436 M C -2.020 174.080 176.300 -0.333 0.000 1.485 436 M CA -1.244 53.600 55.300 -0.761 0.000 1.094 436 M CB 0.604 32.608 32.600 -0.992 0.000 1.843 436 M HN 0.029 nan 8.290 nan 0.000 0.460 437 P HA 0.236 nan 4.420 nan 0.000 0.274 437 P C -1.157 175.976 177.300 -0.278 0.000 1.246 437 P CA -0.399 62.386 63.100 -0.524 0.000 0.795 437 P CB 0.589 31.662 31.700 -1.045 0.000 1.006 438 R N 1.032 121.397 120.500 -0.225 0.000 2.560 438 R HA 0.319 4.659 4.340 -0.000 0.000 0.270 438 R C 0.432 176.784 176.300 0.087 0.000 1.074 438 R CA -0.364 55.633 56.100 -0.172 0.000 1.140 438 R CB 0.175 30.360 30.300 -0.191 0.000 1.073 438 R HN 0.402 nan 8.270 nan 0.000 0.527 439 R N 0.009 120.657 120.500 0.246 0.000 3.878 439 R HA -0.239 4.101 4.340 -0.000 0.000 0.330 439 R C -1.154 175.503 176.300 0.596 0.000 1.186 439 R CA 0.886 57.220 56.100 0.390 0.000 0.885 439 R CB -1.812 28.637 30.300 0.250 0.000 1.377 439 R HN 0.548 nan 8.270 nan 0.000 0.523 440 Y N -0.493 119.954 120.300 0.246 0.000 2.342 440 Y HA 0.131 4.681 4.550 -0.000 0.000 0.334 440 Y C 1.630 177.430 175.900 -0.167 0.000 1.067 440 Y CA -0.127 58.028 58.100 0.092 0.000 1.128 440 Y CB 1.601 40.128 38.460 0.113 0.000 1.200 440 Y HN 0.148 nan 8.280 nan 0.000 0.464 441 S N 0.227 115.698 115.700 -0.382 0.000 2.558 441 S HA 0.057 4.527 4.470 -0.000 0.000 0.217 441 S C -0.168 174.165 174.600 -0.445 0.000 0.975 441 S CA 0.283 57.973 58.200 -0.849 0.000 0.912 441 S CB 0.157 62.942 63.200 -0.691 0.000 0.776 441 S HN 0.716 nan 8.310 nan 0.000 0.526 442 D N -0.526 119.716 120.400 -0.263 0.000 2.623 442 D HA 0.489 5.129 4.640 -0.000 0.000 0.241 442 D C -1.755 174.470 176.300 -0.124 0.000 1.241 442 D CA -0.685 53.104 54.000 -0.351 0.000 0.788 442 D CB 1.567 42.172 40.800 -0.324 0.000 1.413 442 D HN 0.221 nan 8.370 nan 0.000 0.429 443 Y N -1.647 118.712 120.300 0.098 0.000 2.581 443 Y HA 0.745 5.295 4.550 -0.000 0.000 0.345 443 Y C -2.597 173.435 175.900 0.220 0.000 1.036 443 Y CA -2.575 55.657 58.100 0.220 0.000 1.042 443 Y CB -0.269 38.322 38.460 0.217 0.000 1.289 443 Y HN 0.050 nan 8.280 nan 0.000 0.471 444 P HA -0.000 nan 4.420 nan 0.000 0.266 444 P C 0.096 177.578 177.300 0.302 0.000 1.186 444 P CA 0.401 63.695 63.100 0.323 0.000 0.767 444 P CB 0.861 32.741 31.700 0.299 0.000 0.820 445 D N 1.908 122.385 120.400 0.128 0.000 2.149 445 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 445 D C 1.925 178.230 176.300 0.009 0.000 0.990 445 D CA 1.744 55.802 54.000 0.097 0.000 0.839 445 D CB -0.670 40.142 40.800 0.021 0.000 0.948 445 D HN 0.387 nan 8.370 nan 0.000 0.460 446 A N 0.336 123.073 122.820 -0.139 0.000 1.997 446 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 446 A C 1.507 178.890 177.584 -0.335 0.000 1.172 446 A CA 1.240 53.097 52.037 -0.300 0.000 0.645 446 A CB -1.063 17.665 19.000 -0.454 0.000 0.813 446 A HN 0.298 nan 8.150 nan 0.000 0.454 447 Y N 0.330 120.612 120.300 -0.029 0.000 2.502 447 Y HA 0.046 4.596 4.550 -0.000 0.000 0.295 447 Y C 2.416 178.086 175.900 -0.383 0.000 1.193 447 Y CA 0.684 58.674 58.100 -0.183 0.000 1.295 447 Y CB -0.971 37.345 38.460 -0.240 0.000 1.059 447 Y HN 0.244 nan 8.280 nan 0.000 0.514 448 T N -0.084 114.396 114.554 -0.124 0.000 2.737 448 T HA -0.235 4.115 4.350 -0.000 0.000 0.265 448 T C 2.106 176.691 174.700 -0.191 0.000 1.038 448 T CA 1.481 63.535 62.100 -0.078 0.000 1.144 448 T CB -0.214 68.689 68.868 0.059 0.000 0.866 448 T HN 0.438 nan 8.240 nan 0.000 0.434 449 M N -0.323 119.085 119.600 -0.321 0.000 2.080 449 M HA -0.137 4.343 4.480 -0.000 0.000 0.260 449 M C 1.884 177.989 176.300 -0.325 0.000 1.068 449 M CA 1.903 56.947 55.300 -0.427 0.000 1.109 449 M CB -0.256 31.906 32.600 -0.730 0.000 1.342 449 M HN 0.410 nan 8.290 nan 0.000 0.405 450 W N 0.488 121.760 121.300 -0.047 0.000 2.388 450 W HA -0.105 4.555 4.660 -0.000 0.000 0.294 450 W C 2.200 178.631 176.519 -0.147 0.000 1.212 450 W CA 0.203 57.525 57.345 -0.038 0.000 1.271 450 W CB -0.746 28.737 29.460 0.039 0.000 1.126 450 W HN 0.293 nan 8.180 nan 0.000 0.535 451 N N 0.080 118.731 118.700 -0.082 0.000 2.205 451 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 451 N C 1.480 176.943 175.510 -0.078 0.000 1.015 451 N CA 2.069 55.006 53.050 -0.189 0.000 0.862 451 N CB -0.569 37.649 38.487 -0.448 0.000 0.986 451 N HN 0.147 nan 8.380 nan 0.000 0.429 452 T N 1.972 116.493 114.554 -0.056 0.000 2.701 452 T HA 0.040 4.390 4.350 -0.000 0.000 0.263 452 T C 2.158 176.833 174.700 -0.041 0.000 1.040 452 T CA 0.518 62.591 62.100 -0.046 0.000 1.147 452 T CB -0.086 68.749 68.868 -0.055 0.000 0.865 452 T HN 0.160 nan 8.240 nan 0.000 0.426 453 I N 1.218 121.794 120.570 0.011 0.000 2.163 453 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 453 I C 2.840 178.955 176.117 -0.003 0.000 1.085 453 I CA 1.260 62.590 61.300 0.051 0.000 1.347 453 I CB -0.536 37.583 38.000 0.198 0.000 1.044 453 I HN 0.276 nan 8.210 nan 0.000 0.408 454 S N 0.281 115.966 115.700 -0.026 0.000 2.359 454 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 454 S C 2.196 176.704 174.600 -0.154 0.000 1.035 454 S CA 2.150 60.271 58.200 -0.132 0.000 1.018 454 S CB -0.194 62.900 63.200 -0.178 0.000 0.876 454 S HN 0.404 nan 8.310 nan 0.000 0.448 455 S N 0.971 116.603 115.700 -0.114 0.000 2.402 455 S HA 0.043 4.513 4.470 -0.000 0.000 0.229 455 S C 1.838 176.358 174.600 -0.133 0.000 1.021 455 S CA 1.381 59.517 58.200 -0.105 0.000 0.974 455 S CB -0.333 62.809 63.200 -0.097 0.000 0.800 455 S HN 0.536 nan 8.310 nan 0.000 0.484 456 M N 0.790 120.309 119.600 -0.135 0.000 2.156 456 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 456 M C 2.556 178.840 176.300 -0.028 0.000 1.067 456 M CA 1.303 56.525 55.300 -0.130 0.000 1.131 456 M CB -0.962 31.584 32.600 -0.090 0.000 1.368 456 M HN 0.441 nan 8.290 nan 0.000 0.416 457 G N 0.690 109.461 108.800 -0.048 0.000 2.574 457 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 457 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 457 G C 1.611 176.499 174.900 -0.020 0.000 1.173 457 G CA 1.729 46.795 45.100 -0.057 0.000 0.772 457 G HN 0.565 nan 8.290 nan 0.000 0.585 458 S N -0.199 115.484 115.700 -0.028 0.000 2.419 458 S HA -0.031 4.439 4.470 -0.000 0.000 0.235 458 S C 2.150 176.868 174.600 0.197 0.000 1.019 458 S CA 1.255 59.479 58.200 0.039 0.000 0.982 458 S CB -0.573 62.641 63.200 0.023 0.000 0.789 458 S HN 0.388 nan 8.310 nan 0.000 0.490 459 F N 1.017 120.947 119.950 -0.033 0.000 2.367 459 F HA 0.236 4.763 4.527 -0.000 0.000 0.298 459 F C 2.186 177.990 175.800 0.008 0.000 1.094 459 F CA 0.425 58.420 58.000 -0.008 0.000 1.409 459 F CB -0.115 38.881 39.000 -0.006 0.000 1.064 459 F HN 0.203 nan 8.300 nan 0.000 0.528 460 I N -0.915 119.762 120.570 0.178 0.000 2.315 460 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 460 I C 2.237 178.415 176.117 0.101 0.000 1.117 460 I CA 1.119 62.489 61.300 0.116 0.000 1.404 460 I CB -0.381 37.671 38.000 0.086 0.000 1.071 460 I HN -0.001 nan 8.210 nan 0.000 0.419 461 S N 0.764 116.520 115.700 0.093 0.000 2.406 461 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 461 S C 1.875 176.527 174.600 0.087 0.000 1.020 461 S CA 0.807 59.071 58.200 0.108 0.000 0.965 461 S CB -0.293 62.973 63.200 0.110 0.000 0.798 461 S HN 0.325 nan 8.310 nan 0.000 0.488 462 L N 2.212 123.454 121.223 0.032 0.000 2.042 462 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 462 L C 2.111 178.973 176.870 -0.013 0.000 1.076 462 L CA 1.931 56.749 54.840 -0.037 0.000 0.749 462 L CB -1.472 40.476 42.059 -0.185 0.000 0.893 462 L HN 0.174 nan 8.230 nan 0.000 0.432 463 T N 0.172 114.735 114.554 0.014 0.000 2.708 463 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 463 T C 1.974 176.731 174.700 0.094 0.000 1.037 463 T CA 1.454 63.578 62.100 0.040 0.000 1.146 463 T CB -0.710 68.196 68.868 0.064 0.000 0.865 463 T HN 0.568 nan 8.240 nan 0.000 0.435 464 A N 1.198 124.112 122.820 0.156 0.000 1.903 464 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 464 A C 2.599 180.306 177.584 0.205 0.000 1.191 464 A CA 1.996 54.204 52.037 0.285 0.000 0.638 464 A CB -1.250 17.963 19.000 0.354 0.000 0.823 464 A HN 0.374 nan 8.150 nan 0.000 0.451 465 V N -0.293 119.699 119.914 0.130 0.000 2.407 465 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 465 V C 2.621 178.702 176.094 -0.022 0.000 1.055 465 V CA 2.170 64.498 62.300 0.046 0.000 1.049 465 V CB -0.693 31.149 31.823 0.033 0.000 0.662 465 V HN 0.564 nan 8.190 nan 0.000 0.455 466 M N -1.027 118.568 119.600 -0.010 0.000 2.156 466 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 466 M C 2.245 178.538 176.300 -0.012 0.000 1.067 466 M CA 1.630 56.913 55.300 -0.028 0.000 1.131 466 M CB -0.421 32.154 32.600 -0.042 0.000 1.368 466 M HN 0.350 nan 8.290 nan 0.000 0.416 467 L N 0.698 121.927 121.223 0.011 0.000 2.046 467 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 467 L C 2.510 179.357 176.870 -0.038 0.000 1.077 467 L CA 1.677 56.542 54.840 0.042 0.000 0.747 467 L CB -0.507 41.633 42.059 0.135 0.000 0.896 467 L HN 0.266 nan 8.230 nan 0.000 0.432 468 M N -1.537 117.906 119.600 -0.261 0.000 2.082 468 M HA -0.248 4.232 4.480 -0.000 0.000 0.258 468 M C 2.036 178.241 176.300 -0.158 0.000 1.069 468 M CA 2.238 57.294 55.300 -0.406 0.000 1.102 468 M CB -0.154 32.133 32.600 -0.521 0.000 1.336 468 M HN 0.186 nan 8.290 nan 0.000 0.404 469 V N 0.470 120.338 119.914 -0.076 0.000 2.490 469 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 469 V C 2.127 178.256 176.094 0.059 0.000 1.061 469 V CA 1.969 64.268 62.300 -0.001 0.000 1.064 469 V CB -1.038 30.789 31.823 0.007 0.000 0.670 469 V HN 0.631 nan 8.190 nan 0.000 0.461 470 F N 0.820 120.716 119.950 -0.091 0.000 2.146 470 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 470 F C 2.091 177.871 175.800 -0.034 0.000 1.096 470 F CA 1.483 59.441 58.000 -0.070 0.000 1.275 470 F CB -0.342 38.533 39.000 -0.208 0.000 1.008 470 F HN 0.078 nan 8.300 nan 0.000 0.480 471 I N 0.561 120.846 120.570 -0.476 0.000 2.151 471 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 471 I C 2.451 178.342 176.117 -0.377 0.000 1.080 471 I CA 1.909 62.893 61.300 -0.525 0.000 1.339 471 I CB -0.713 37.159 38.000 -0.212 0.000 1.039 471 I HN 0.206 nan 8.210 nan 0.000 0.409 472 I N -0.394 120.062 120.570 -0.190 0.000 2.142 472 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 472 I C 2.528 178.702 176.117 0.095 0.000 1.078 472 I CA 1.708 62.952 61.300 -0.093 0.000 1.343 472 I CB -0.534 37.553 38.000 0.146 0.000 1.046 472 I HN 0.393 nan 8.210 nan 0.000 0.405 473 W N 2.334 123.609 121.300 -0.041 0.000 2.304 473 W HA -0.304 4.356 4.660 -0.000 0.000 0.315 473 W C 2.542 178.979 176.519 -0.137 0.000 1.233 473 W CA 2.165 59.502 57.345 -0.014 0.000 1.261 473 W CB -0.278 29.148 29.460 -0.056 0.000 1.150 473 W HN 0.111 nan 8.180 nan 0.000 0.494 474 E N 0.588 120.504 120.200 -0.473 0.000 2.160 474 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 474 E C 2.062 178.322 176.600 -0.566 0.000 0.991 474 E CA 1.715 57.645 56.400 -0.783 0.000 0.810 474 E CB -0.555 28.668 29.700 -0.794 0.000 0.742 474 E HN 0.358 nan 8.360 nan 0.000 0.466 475 A N -0.213 122.364 122.820 -0.406 0.000 1.897 475 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 475 A C 2.084 179.445 177.584 -0.372 0.000 1.181 475 A CA 0.912 52.754 52.037 -0.324 0.000 0.620 475 A CB -0.846 17.947 19.000 -0.345 0.000 0.821 475 A HN 0.295 nan 8.150 nan 0.000 0.443 476 F N -0.189 119.583 119.950 -0.297 0.000 2.456 476 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 476 F C 2.649 178.136 175.800 -0.521 0.000 1.104 476 F CA 0.514 58.270 58.000 -0.406 0.000 1.435 476 F CB 0.056 38.978 39.000 -0.130 0.000 1.078 476 F HN 0.282 nan 8.300 nan 0.000 0.546 477 A N -0.520 122.023 122.820 -0.461 0.000 1.855 477 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 477 A C 2.316 179.660 177.584 -0.401 0.000 1.191 477 A CA 2.033 53.721 52.037 -0.581 0.000 0.613 477 A CB -0.966 17.314 19.000 -1.200 0.000 0.829 477 A HN 0.259 nan 8.150 nan 0.000 0.442 478 S N -0.703 114.763 115.700 -0.391 0.000 2.387 478 S HA 0.004 4.473 4.470 -0.000 0.000 0.226 478 S C 0.409 174.887 174.600 -0.204 0.000 1.026 478 S CA 0.847 58.899 58.200 -0.246 0.000 0.972 478 S CB -0.207 62.878 63.200 -0.192 0.000 0.814 478 S HN 0.566 nan 8.310 nan 0.000 0.477 479 K N 1.023 121.222 120.400 -0.334 0.000 3.585 479 K HA -0.152 4.168 4.320 -0.000 0.000 0.275 479 K C -1.038 175.588 176.600 0.043 0.000 1.026 479 K CA 0.254 56.355 56.287 -0.310 0.000 0.800 479 K CB -1.192 31.210 32.500 -0.164 0.000 1.401 479 K HN 0.382 nan 8.250 nan 0.000 0.453 480 R N 1.907 122.462 120.500 0.091 0.000 2.308 480 R HA 0.112 4.452 4.340 -0.000 0.000 0.325 480 R C -0.097 176.338 176.300 0.225 0.000 1.161 480 R CA -0.244 55.932 56.100 0.127 0.000 1.022 480 R CB 0.429 30.773 30.300 0.074 0.000 1.091 480 R HN 0.261 nan 8.270 nan 0.000 0.497 481 E N 1.886 122.205 120.200 0.198 0.000 2.316 481 E HA 0.060 4.410 4.350 -0.000 0.000 0.275 481 E C -0.089 176.547 176.600 0.061 0.000 1.029 481 E CA -0.343 56.133 56.400 0.128 0.000 0.871 481 E CB 1.349 31.099 29.700 0.083 0.000 1.022 481 E HN 0.189 nan 8.360 nan 0.000 0.418 482 V N 5.154 125.079 119.914 0.019 0.000 2.585 482 V HA -0.088 4.032 4.120 -0.000 0.000 0.296 482 V C 1.230 177.340 176.094 0.028 0.000 1.035 482 V CA 0.590 62.907 62.300 0.028 0.000 1.084 482 V CB 0.468 32.311 31.823 0.034 0.000 0.953 482 V HN 0.694 nan 8.190 nan 0.000 0.483 483 L N 3.103 124.343 121.223 0.028 0.000 2.194 483 L HA 0.193 4.533 4.340 -0.000 0.000 0.197 483 L C 1.008 177.895 176.870 0.029 0.000 1.106 483 L CA 0.859 55.715 54.840 0.026 0.000 0.785 483 L CB -0.011 42.061 42.059 0.022 0.000 0.960 483 L HN 0.603 nan 8.230 nan 0.000 0.465 484 T N -0.038 114.523 114.554 0.013 0.000 2.887 484 T HA 0.601 4.951 4.350 -0.000 0.000 0.288 484 T C -0.914 173.762 174.700 -0.040 0.000 1.021 484 T CA -0.278 61.821 62.100 -0.000 0.000 1.000 484 T CB 2.676 71.538 68.868 -0.010 0.000 1.034 484 T HN -0.223 nan 8.240 nan 0.000 0.467 485 V N 2.578 122.450 119.914 -0.069 0.000 2.789 485 V HA 0.417 4.537 4.120 -0.000 0.000 0.311 485 V C -0.384 175.634 176.094 -0.127 0.000 1.073 485 V CA -0.911 61.275 62.300 -0.191 0.000 0.921 485 V CB 2.363 33.942 31.823 -0.407 0.000 1.009 485 V HN 0.828 nan 8.190 nan 0.000 0.426 486 D N 2.013 122.337 120.400 -0.128 0.000 2.383 486 D HA 0.468 5.108 4.640 -0.000 0.000 0.248 486 D C 0.822 177.014 176.300 -0.181 0.000 1.170 486 D CA 0.144 54.059 54.000 -0.142 0.000 0.977 486 D CB 0.905 41.592 40.800 -0.190 0.000 1.120 486 D HN 0.547 nan 8.370 nan 0.000 0.481 487 L N 0.292 121.408 121.223 -0.179 0.000 4.089 487 L HA -0.301 4.039 4.340 -0.000 0.000 0.408 487 L C 1.605 178.484 176.870 0.015 0.000 1.184 487 L CA 0.718 55.459 54.840 -0.165 0.000 0.947 487 L CB -2.536 39.255 42.059 -0.446 0.000 2.066 487 L HN 0.572 nan 8.230 nan 0.000 0.851 488 T N -5.109 109.476 114.554 0.052 0.000 3.007 488 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 488 T C 1.690 176.486 174.700 0.160 0.000 1.107 488 T CA 1.436 63.632 62.100 0.160 0.000 1.118 488 T CB -0.377 68.595 68.868 0.172 0.000 0.889 488 T HN 0.595 nan 8.240 nan 0.000 0.506 489 T N 0.474 115.086 114.554 0.096 0.000 2.995 489 T HA -0.040 4.310 4.350 -0.000 0.000 0.269 489 T C 1.663 176.428 174.700 0.109 0.000 1.091 489 T CA 1.211 63.367 62.100 0.095 0.000 1.128 489 T CB -0.800 68.101 68.868 0.055 0.000 0.891 489 T HN 0.625 nan 8.240 nan 0.000 0.492 490 T N -0.450 114.171 114.554 0.112 0.000 3.293 490 T HA 0.372 4.722 4.350 -0.000 0.000 0.276 490 T C 0.002 174.845 174.700 0.239 0.000 1.003 490 T CA -0.875 61.309 62.100 0.141 0.000 0.916 490 T CB -0.309 68.610 68.868 0.085 0.000 1.134 490 T HN 0.283 nan 8.240 nan 0.000 0.530 491 N N 1.341 120.231 118.700 0.317 0.000 2.732 491 N HA 0.136 4.876 4.740 -0.000 0.000 0.235 491 N C 0.301 176.118 175.510 0.510 0.000 1.466 491 N CA -0.237 53.110 53.050 0.495 0.000 0.751 491 N CB 1.630 40.513 38.487 0.659 0.000 1.317 491 N HN 0.132 nan 8.380 nan 0.000 0.525 492 L N 1.719 123.181 121.223 0.398 0.000 2.265 492 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 492 L C 2.282 179.382 176.870 0.384 0.000 1.117 492 L CA 1.893 56.948 54.840 0.357 0.000 0.782 492 L CB -0.030 42.202 42.059 0.289 0.000 0.914 492 L HN 0.350 nan 8.230 nan 0.000 0.441 493 E N -1.492 118.922 120.200 0.358 0.000 2.347 493 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 493 E C 1.559 178.224 176.600 0.109 0.000 1.008 493 E CA 1.007 57.544 56.400 0.227 0.000 0.852 493 E CB -0.851 28.918 29.700 0.115 0.000 0.783 493 E HN 0.690 nan 8.360 nan 0.000 0.505 494 W N 0.281 121.729 121.300 0.247 0.000 2.905 494 W HA 0.161 4.821 4.660 -0.000 0.000 0.251 494 W C 1.540 178.137 176.519 0.130 0.000 1.305 494 W CA -0.377 57.068 57.345 0.167 0.000 1.465 494 W CB 0.010 29.551 29.460 0.135 0.000 1.122 494 W HN 0.057 nan 8.180 nan 0.000 0.659 495 L N 0.988 122.403 121.223 0.319 0.000 2.599 495 L HA 0.065 4.405 4.340 -0.000 0.000 0.230 495 L C 1.080 178.018 176.870 0.114 0.000 1.141 495 L CA 1.223 56.194 54.840 0.218 0.000 0.877 495 L CB -0.846 41.345 42.059 0.220 0.000 1.009 495 L HN 0.036 nan 8.230 nan 0.000 0.447 496 N N 0.024 118.772 118.700 0.080 0.000 2.235 496 N HA 0.236 4.976 4.740 -0.000 0.000 0.209 496 N C 0.690 176.224 175.510 0.040 0.000 1.122 496 N CA 0.762 53.809 53.050 -0.004 0.000 0.845 496 N CB 0.778 39.196 38.487 -0.114 0.000 1.004 496 N HN 0.297 nan 8.380 nan 0.000 0.499 497 G N 0.450 109.306 108.800 0.094 0.000 2.712 497 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.683 497 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.683 497 G C -0.865 174.084 174.900 0.081 0.000 1.320 497 G CA -0.861 44.291 45.100 0.086 0.000 0.847 497 G HN 0.253 nan 8.290 nan 0.000 0.553 498 C N 2.180 121.513 119.300 0.054 0.000 2.340 498 C HA 0.781 5.241 4.460 -0.000 0.000 0.323 498 C C -1.343 173.603 174.990 -0.073 0.000 1.260 498 C CA -1.028 57.984 59.018 -0.009 0.000 1.464 498 C CB 1.215 28.958 27.740 0.004 0.000 2.156 498 C HN 0.866 nan 8.230 nan 0.000 0.476 499 P HA 0.405 nan 4.420 nan 0.000 0.276 499 P C -2.643 174.697 177.300 0.067 0.000 1.261 499 P CA -1.269 61.835 63.100 0.007 0.000 0.800 499 P CB -0.018 31.726 31.700 0.073 0.000 1.066 500 P HA 0.227 nan 4.420 nan 0.000 0.274 500 P C -2.367 174.963 177.300 0.049 0.000 1.237 500 P CA -1.471 61.676 63.100 0.078 0.000 0.793 500 P CB -1.242 30.520 31.700 0.104 0.000 0.977 501 P HA -0.058 nan 4.420 nan 0.000 0.267 501 P C 0.958 178.253 177.300 -0.008 0.000 1.200 501 P CA 0.164 63.276 63.100 0.021 0.000 0.772 501 P CB 0.192 31.905 31.700 0.021 0.000 0.855 502 Y N 1.979 122.178 120.300 -0.169 0.000 2.038 502 Y HA -0.293 4.257 4.550 -0.000 0.000 0.266 502 Y C 1.219 176.909 175.900 -0.351 0.000 1.220 502 Y CA 1.911 59.818 58.100 -0.321 0.000 1.107 502 Y CB -0.210 38.015 38.460 -0.392 0.000 0.932 502 Y HN 0.373 nan 8.280 nan 0.000 0.500 503 H N 0.292 119.396 119.070 0.056 0.000 2.519 503 H HA 0.334 4.890 4.556 -0.000 0.000 0.316 503 H C -0.063 175.253 175.328 -0.020 0.000 1.065 503 H CA 0.193 56.237 56.048 -0.008 0.000 1.264 503 H CB 0.927 30.723 29.762 0.057 0.000 1.413 503 H HN 0.153 nan 8.280 nan 0.000 0.465 504 T N -0.789 113.839 114.554 0.124 0.000 2.930 504 T HA 0.349 4.699 4.350 -0.000 0.000 0.290 504 T C 0.152 174.901 174.700 0.081 0.000 1.052 504 T CA -0.846 61.238 62.100 -0.028 0.000 1.017 504 T CB 1.328 70.128 68.868 -0.114 0.000 1.137 504 T HN 0.441 nan 8.240 nan 0.000 0.511 505 F N -0.520 119.464 119.950 0.056 0.000 3.084 505 F HA -0.232 4.295 4.527 -0.000 0.000 0.286 505 F C 1.385 177.191 175.800 0.010 0.000 0.855 505 F CA 0.547 58.566 58.000 0.031 0.000 1.091 505 F CB -2.488 36.522 39.000 0.016 0.000 1.177 505 F HN 0.792 nan 8.300 nan 0.000 0.542 506 E N 0.384 120.638 120.200 0.091 0.000 2.130 506 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 506 E C 1.111 177.740 176.600 0.049 0.000 0.998 506 E CA 1.544 57.968 56.400 0.039 0.000 0.806 506 E CB -0.008 29.693 29.700 0.003 0.000 0.738 506 E HN 0.644 nan 8.360 nan 0.000 0.459 507 E N 1.549 121.789 120.200 0.068 0.000 2.113 507 E HA 0.160 4.510 4.350 -0.000 0.000 0.273 507 E C -2.433 174.253 176.600 0.144 0.000 0.924 507 E CA -2.781 53.667 56.400 0.080 0.000 0.764 507 E CB 0.996 30.733 29.700 0.063 0.000 1.104 507 E HN -0.167 nan 8.360 nan 0.000 0.406 508 P HA 0.014 nan 4.420 nan 0.000 0.272 508 P C -0.130 177.290 177.300 0.200 0.000 1.240 508 P CA -0.360 62.842 63.100 0.171 0.000 0.791 508 P CB 0.430 32.172 31.700 0.069 0.000 0.978 509 T N -1.468 113.218 114.554 0.221 0.000 2.680 509 T HA 0.079 4.429 4.350 -0.000 0.000 0.314 509 T C -0.517 174.290 174.700 0.178 0.000 1.045 509 T CA 0.040 62.270 62.100 0.218 0.000 1.025 509 T CB -0.043 68.927 68.868 0.171 0.000 1.000 509 T HN 0.394 nan 8.240 nan 0.000 0.535 510 Y N 0.290 120.630 120.300 0.066 0.000 2.328 510 Y HA 0.569 5.119 4.550 -0.000 0.000 0.333 510 Y C -1.450 174.472 175.900 0.036 0.000 0.958 510 Y CA -1.274 56.852 58.100 0.042 0.000 1.167 510 Y CB 1.077 39.562 38.460 0.041 0.000 1.151 510 Y HN 0.590 nan 8.280 nan 0.000 0.470 511 V N 6.221 125.938 119.914 -0.328 0.000 2.525 511 V HA 0.307 4.427 4.120 -0.000 0.000 0.299 511 V C -0.503 175.352 176.094 -0.399 0.000 1.034 511 V CA -1.234 60.938 62.300 -0.214 0.000 0.863 511 V CB 1.659 33.430 31.823 -0.087 0.000 0.999 511 V HN 0.849 nan 8.190 nan 0.000 0.423 512 N N 2.348 120.877 118.700 -0.286 0.000 2.508 512 N HA 0.369 5.109 4.740 -0.000 0.000 0.264 512 N C 0.808 176.259 175.510 -0.098 0.000 1.216 512 N CA -0.344 52.592 53.050 -0.189 0.000 0.943 512 N CB 1.312 39.806 38.487 0.012 0.000 1.113 512 N HN 0.637 nan 8.380 nan 0.000 0.447 513 L N 1.845 123.021 121.223 -0.079 0.000 2.200 513 L HA 0.193 4.533 4.340 -0.000 0.000 0.200 513 L C 0.414 177.278 176.870 -0.011 0.000 1.072 513 L CA 0.696 55.513 54.840 -0.038 0.000 0.787 513 L CB -0.089 41.949 42.059 -0.036 0.000 0.957 513 L HN 0.679 nan 8.230 nan 0.000 0.459 514 K N 0.000 120.400 120.400 -0.000 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.295 56.287 0.014 0.000 0.838 514 K CB 0.000 32.509 32.500 0.015 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543