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 3hjb_1_A DATA FIRST_RESID 0 DATA SEQUENCE AMLKNINPTQ TQAWKALTAH FESAQDMDLK ALFAQDSERF AKYSARFGQD DATA SEQUENCE ILVDYSKNLV NAETMQHLFA LAKETDLQSA ITAMFKGEAI NQTEDRAVLH DATA SEQUENCE TALRNRSNSP VLVNGEDVMP AVNAVLAKMK AFSERVIGGE WKGFTGKAIT DATA SEQUENCE DVVNIGIGGS DLGPYMVTEA LVPYKNHLTV HFVSNVDGTH MAETLKNVDP DATA SEQUENCE ETTLFLVASK TFTTQETMTN AHTARDWFLK AAGDEAHVAK HFAALSTNGK DATA SEQUENCE AVAEFGIDTD NMFEFWDWVG GRYSLWSAIG LSIILSIGYD NFVELLAGAH DATA SEQUENCE EMDQHFVNTP FESNIPVILA LIGIWYNNFH GAESEAILPY DQYLHRFAAY DATA SEQUENCE FQQGNMESNG KYVDRNGNPV TYQTGPIIWG EPGTNGQHAF YQLIHQGTKL DATA SEQUENCE IPCDFIAPAV SHNLVGDHHQ KLMSNFFAQT EALAFGKSAQ AVQAELEKAG DATA SEQUENCE KSAAEIAALV PFKVFEGNRP TNSILVKQIT PRTLGNLIAM YEHKIFVQGV DATA SEQUENCE IWNIFSFDQW GVELGKQLAN QILPELADSA AVTSHDSSTN GLINAFKAFR DATA SEQUENCE A 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.626 177.584 0.071 0.000 1.274 0 A CA 0.000 52.079 52.037 0.070 0.000 0.836 0 A CB 0.000 19.056 19.000 0.093 0.000 0.831 1 M N 0.576 120.220 119.600 0.074 0.000 2.132 1 M HA -0.013 4.466 4.480 -0.001 0.000 0.263 1 M C 1.006 177.364 176.300 0.096 0.000 1.065 1 M CA 1.334 56.679 55.300 0.076 0.000 1.122 1 M CB -1.113 31.532 32.600 0.074 0.000 1.365 1 M HN 0.710 nan 8.290 nan 0.000 0.411 2 L N 2.700 123.998 121.223 0.125 0.000 2.477 2 L HA 0.071 4.410 4.340 -0.001 0.000 0.272 2 L C 0.179 177.114 176.870 0.108 0.000 1.157 2 L CA 0.307 55.232 54.840 0.143 0.000 0.889 2 L CB 0.082 42.261 42.059 0.200 0.000 1.158 2 L HN -0.030 nan 8.230 nan 0.000 0.473 3 K N 3.814 124.261 120.400 0.079 0.000 2.132 3 K HA 0.396 4.716 4.320 -0.001 0.000 0.241 3 K C -0.359 176.261 176.600 0.033 0.000 1.000 3 K CA -0.539 55.781 56.287 0.055 0.000 0.911 3 K CB 0.597 33.123 32.500 0.044 0.000 1.093 3 K HN 0.486 nan 8.250 nan 0.000 0.460 4 N N 1.089 119.802 118.700 0.021 0.000 2.735 4 N HA 0.281 5.021 4.740 -0.001 0.000 0.312 4 N C -0.677 174.829 175.510 -0.007 0.000 1.843 4 N CA -0.185 52.861 53.050 -0.007 0.000 0.945 4 N CB 0.064 38.551 38.487 0.001 0.000 1.299 4 N HN 0.386 nan 8.380 nan 0.000 0.489 5 I N 0.696 121.261 120.570 -0.008 0.000 2.396 5 I HA 0.055 4.224 4.170 -0.001 0.000 0.289 5 I C 1.021 177.115 176.117 -0.039 0.000 1.056 5 I CA -0.404 60.888 61.300 -0.014 0.000 1.365 5 I CB 0.574 38.572 38.000 -0.003 0.000 1.407 5 I HN 0.182 nan 8.210 nan 0.000 0.509 6 N N 9.584 128.254 118.700 -0.050 0.000 2.438 6 N HA 0.040 4.779 4.740 -0.001 0.000 0.267 6 N C -1.613 173.775 175.510 -0.203 0.000 1.222 6 N CA -1.099 51.892 53.050 -0.098 0.000 0.930 6 N CB 1.260 39.703 38.487 -0.072 0.000 1.083 6 N HN 0.372 nan 8.380 nan 0.000 0.476 7 P HA -0.104 nan 4.420 nan 0.000 0.219 7 P C 1.204 178.100 177.300 -0.673 0.000 1.150 7 P CA 1.305 64.149 63.100 -0.426 0.000 0.814 7 P CB -0.103 31.276 31.700 -0.535 0.000 0.787 8 T N -3.561 110.385 114.554 -1.013 0.000 2.995 8 T HA -0.055 4.295 4.350 -0.001 0.000 0.269 8 T C 1.646 176.105 174.700 -0.402 0.000 1.091 8 T CA 0.853 62.276 62.100 -1.129 0.000 1.128 8 T CB -0.592 67.765 68.868 -0.853 0.000 0.891 8 T HN -0.009 nan 8.240 nan 0.000 0.492 9 Q N 2.153 121.817 119.800 -0.225 0.000 2.280 9 Q HA 0.177 4.517 4.340 -0.001 0.000 0.201 9 Q C 0.864 176.861 176.000 -0.005 0.000 0.890 9 Q CA 0.203 55.963 55.803 -0.071 0.000 0.947 9 Q CB 0.292 28.997 28.738 -0.054 0.000 1.081 9 Q HN 0.826 nan 8.270 nan 0.000 0.502 10 T N -2.817 111.748 114.554 0.018 0.000 2.899 10 T HA 0.167 4.516 4.350 -0.001 0.000 0.295 10 T C 1.207 175.980 174.700 0.122 0.000 1.033 10 T CA -0.368 61.778 62.100 0.076 0.000 1.084 10 T CB 1.329 70.260 68.868 0.106 0.000 0.979 10 T HN 0.071 nan 8.240 nan 0.000 0.532 11 Q N 1.033 120.889 119.800 0.093 0.000 2.124 11 Q HA -0.083 4.256 4.340 -0.001 0.000 0.202 11 Q C 2.644 178.697 176.000 0.089 0.000 0.977 11 Q CA 1.429 57.282 55.803 0.083 0.000 0.850 11 Q CB -0.478 28.296 28.738 0.059 0.000 0.901 11 Q HN 0.937 nan 8.270 nan 0.000 0.429 12 A N 0.785 123.672 122.820 0.111 0.000 1.902 12 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 12 A C 1.735 179.389 177.584 0.117 0.000 1.181 12 A CA 0.962 53.054 52.037 0.093 0.000 0.623 12 A CB -0.997 18.073 19.000 0.117 0.000 0.818 12 A HN 0.645 nan 8.150 nan 0.000 0.443 13 W N 1.117 122.441 121.300 0.041 0.000 2.358 13 W HA -0.131 4.529 4.660 -0.001 0.000 0.303 13 W C 1.793 178.384 176.519 0.120 0.000 1.208 13 W CA 1.944 59.368 57.345 0.133 0.000 1.274 13 W CB -0.246 29.293 29.460 0.132 0.000 1.138 13 W HN 0.356 nan 8.180 nan 0.000 0.515 14 K N 0.072 120.667 120.400 0.326 0.000 2.097 14 K HA -0.143 4.176 4.320 -0.001 0.000 0.206 14 K C 2.246 178.876 176.600 0.049 0.000 1.049 14 K CA 1.549 57.957 56.287 0.203 0.000 0.933 14 K CB -0.494 32.095 32.500 0.148 0.000 0.717 14 K HN 0.049 nan 8.250 nan 0.000 0.442 15 A N 1.424 124.197 122.820 -0.078 0.000 1.930 15 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 15 A C 2.126 179.458 177.584 -0.419 0.000 1.175 15 A CA 1.121 52.958 52.037 -0.333 0.000 0.627 15 A CB -0.540 18.109 19.000 -0.585 0.000 0.815 15 A HN 0.140 nan 8.150 nan 0.000 0.443 16 L N -0.770 120.240 121.223 -0.355 0.000 2.046 16 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 16 L C 2.808 179.593 176.870 -0.142 0.000 1.077 16 L CA 1.767 56.377 54.840 -0.384 0.000 0.747 16 L CB -0.819 40.701 42.059 -0.898 0.000 0.896 16 L HN 0.334 nan 8.230 nan 0.000 0.432 17 T N -0.207 114.368 114.554 0.035 0.000 2.684 17 T HA -0.206 4.143 4.350 -0.001 0.000 0.267 17 T C 1.979 176.800 174.700 0.202 0.000 1.036 17 T CA 1.431 63.672 62.100 0.235 0.000 1.148 17 T CB -0.262 68.765 68.868 0.265 0.000 0.863 17 T HN 0.459 nan 8.240 nan 0.000 0.436 18 A N 0.953 123.847 122.820 0.122 0.000 1.898 18 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 18 A C 2.042 179.722 177.584 0.161 0.000 1.181 18 A CA 2.124 54.230 52.037 0.115 0.000 0.620 18 A CB -0.894 18.144 19.000 0.063 0.000 0.819 18 A HN 0.646 nan 8.150 nan 0.000 0.442 19 H N -1.484 117.620 119.070 0.057 0.000 2.353 19 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 19 H C 1.597 177.060 175.328 0.226 0.000 1.090 19 H CA 1.862 57.983 56.048 0.121 0.000 1.327 19 H CB -0.514 29.312 29.762 0.107 0.000 1.383 19 H HN 0.423 nan 8.280 nan 0.000 0.508 20 F N 1.595 121.578 119.950 0.056 0.000 2.250 20 F HA -0.159 4.368 4.527 -0.001 0.000 0.301 20 F C 2.075 177.832 175.800 -0.073 0.000 1.077 20 F CA 1.373 59.354 58.000 -0.032 0.000 1.348 20 F CB -0.048 38.908 39.000 -0.073 0.000 1.040 20 F HN 0.199 nan 8.300 nan 0.000 0.509 21 E N -0.499 119.707 120.200 0.009 0.000 2.114 21 E HA -0.263 4.087 4.350 -0.001 0.000 0.199 21 E C 2.383 178.886 176.600 -0.161 0.000 1.008 21 E CA 1.668 58.030 56.400 -0.062 0.000 0.810 21 E CB -0.799 28.917 29.700 0.027 0.000 0.739 21 E HN 0.414 nan 8.360 nan 0.000 0.456 22 S N -0.719 114.897 115.700 -0.139 0.000 2.468 22 S HA 0.166 4.636 4.470 -0.001 0.000 0.226 22 S C 1.903 176.385 174.600 -0.196 0.000 1.051 22 S CA 0.618 58.741 58.200 -0.127 0.000 0.943 22 S CB 0.135 63.313 63.200 -0.038 0.000 0.810 22 S HN 0.251 nan 8.310 nan 0.000 0.509 23 A N 2.035 124.670 122.820 -0.307 0.000 2.067 23 A HA -0.098 4.222 4.320 -0.001 0.000 0.219 23 A C 2.015 179.482 177.584 -0.195 0.000 1.158 23 A CA 1.384 53.272 52.037 -0.248 0.000 0.661 23 A CB -0.771 17.956 19.000 -0.454 0.000 0.801 23 A HN 0.840 nan 8.150 nan 0.000 0.452 24 Q N -0.663 118.758 119.800 -0.631 0.000 2.368 24 Q HA -0.187 4.153 4.340 -0.001 0.000 0.210 24 Q C -0.063 175.806 176.000 -0.218 0.000 0.982 24 Q CA 1.557 56.859 55.803 -0.834 0.000 0.884 24 Q CB -0.323 27.514 28.738 -1.501 0.000 0.933 24 Q HN 0.488 nan 8.270 nan 0.000 0.460 25 D N -0.037 120.279 120.400 -0.139 0.000 2.440 25 D HA 0.166 4.806 4.640 -0.001 0.000 0.216 25 D C 0.015 176.335 176.300 0.032 0.000 1.150 25 D CA -0.176 53.805 54.000 -0.031 0.000 0.832 25 D CB 0.147 40.916 40.800 -0.051 0.000 0.992 25 D HN 0.283 nan 8.370 nan 0.000 0.502 26 M N 1.349 120.991 119.600 0.069 0.000 2.248 26 M HA -0.091 4.389 4.480 -0.001 0.000 0.343 26 M C -0.324 176.041 176.300 0.109 0.000 1.243 26 M CA 0.776 56.135 55.300 0.099 0.000 1.025 26 M CB 0.409 33.100 32.600 0.152 0.000 1.759 26 M HN -0.212 nan 8.290 nan 0.000 0.452 27 D N 3.223 123.685 120.400 0.103 0.000 2.344 27 D HA 0.272 4.912 4.640 -0.001 0.000 0.239 27 D C 0.739 177.139 176.300 0.166 0.000 1.064 27 D CA -0.463 53.609 54.000 0.119 0.000 0.829 27 D CB 1.037 41.900 40.800 0.104 0.000 1.129 27 D HN 0.652 nan 8.370 nan 0.000 0.506 28 L N 3.443 124.782 121.223 0.194 0.000 2.046 28 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 28 L C 2.365 179.565 176.870 0.551 0.000 1.077 28 L CA 1.027 56.060 54.840 0.322 0.000 0.747 28 L CB -0.297 41.847 42.059 0.142 0.000 0.896 28 L HN 0.541 nan 8.230 nan 0.000 0.432 29 K N 0.227 120.910 120.400 0.471 0.000 2.103 29 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 29 K C 2.102 178.834 176.600 0.220 0.000 1.048 29 K CA 1.383 57.885 56.287 0.357 0.000 0.930 29 K CB -0.058 32.577 32.500 0.224 0.000 0.716 29 K HN 0.295 nan 8.250 nan 0.000 0.444 30 A N 1.068 123.998 122.820 0.182 0.000 1.897 30 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 30 A C 2.075 179.726 177.584 0.113 0.000 1.181 30 A CA 1.025 53.132 52.037 0.117 0.000 0.620 30 A CB -0.510 18.543 19.000 0.088 0.000 0.821 30 A HN 0.293 nan 8.150 nan 0.000 0.443 31 L N -2.016 119.289 121.223 0.136 0.000 2.046 31 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 31 L C 2.454 179.302 176.870 -0.037 0.000 1.077 31 L CA 1.396 56.252 54.840 0.027 0.000 0.747 31 L CB -0.518 41.529 42.059 -0.020 0.000 0.896 31 L HN 0.405 nan 8.230 nan 0.000 0.432 32 F N -0.459 119.531 119.950 0.066 0.000 2.206 32 F HA -0.104 4.423 4.527 -0.001 0.000 0.298 32 F C 2.545 178.338 175.800 -0.011 0.000 1.090 32 F CA 0.976 58.997 58.000 0.036 0.000 1.323 32 F CB -0.436 38.593 39.000 0.048 0.000 1.028 32 F HN -0.015 nan 8.300 nan 0.000 0.492 33 A N 0.183 123.084 122.820 0.136 0.000 2.015 33 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 33 A C 2.152 179.756 177.584 0.033 0.000 1.163 33 A CA 1.498 53.568 52.037 0.055 0.000 0.646 33 A CB -0.825 18.196 19.000 0.034 0.000 0.806 33 A HN 0.578 nan 8.150 nan 0.000 0.448 34 Q N -1.349 118.467 119.800 0.027 0.000 2.187 34 Q HA -0.044 4.296 4.340 -0.001 0.000 0.199 34 Q C -0.384 175.617 176.000 0.001 0.000 0.957 34 Q CA 1.302 57.111 55.803 0.010 0.000 0.857 34 Q CB 0.018 28.760 28.738 0.005 0.000 0.929 34 Q HN 0.346 nan 8.270 nan 0.000 0.453 35 D N 0.215 120.608 120.400 -0.011 0.000 2.602 35 D HA 0.088 4.727 4.640 -0.001 0.000 0.245 35 D C 0.061 176.362 176.300 0.001 0.000 1.325 35 D CA -0.106 53.887 54.000 -0.011 0.000 0.952 35 D CB 1.769 42.554 40.800 -0.024 0.000 1.317 35 D HN 0.153 nan 8.370 nan 0.000 0.577 36 S N 2.564 118.280 115.700 0.026 0.000 2.474 36 S HA -0.085 4.385 4.470 -0.001 0.000 0.235 36 S C 0.984 175.626 174.600 0.071 0.000 0.997 36 S CA 0.586 58.817 58.200 0.051 0.000 0.949 36 S CB 0.129 63.351 63.200 0.037 0.000 0.766 36 S HN 0.391 nan 8.310 nan 0.000 0.517 37 E N 1.014 121.245 120.200 0.051 0.000 2.444 37 E HA 0.194 4.543 4.350 -0.001 0.000 0.191 37 E C 1.608 178.250 176.600 0.070 0.000 1.041 37 E CA -0.185 56.255 56.400 0.067 0.000 0.883 37 E CB -0.058 29.664 29.700 0.037 0.000 1.024 37 E HN 0.627 nan 8.360 nan 0.000 0.470 38 R N 0.004 120.522 120.500 0.029 0.000 2.080 38 R HA -0.188 4.152 4.340 -0.001 0.000 0.236 38 R C 2.093 178.441 176.300 0.080 0.000 1.137 38 R CA 1.457 57.530 56.100 -0.045 0.000 0.943 38 R CB -0.345 29.658 30.300 -0.495 0.000 0.846 38 R HN 0.170 nan 8.270 nan 0.000 0.431 39 F N 1.043 121.018 119.950 0.042 0.000 2.091 39 F HA -0.206 4.320 4.527 -0.001 0.000 0.299 39 F C 2.087 177.909 175.800 0.036 0.000 1.103 39 F CA 1.777 59.830 58.000 0.087 0.000 1.228 39 F CB -0.616 38.465 39.000 0.135 0.000 0.984 39 F HN 0.132 nan 8.300 nan 0.000 0.477 40 A N 0.111 122.899 122.820 -0.053 0.000 1.933 40 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 40 A C 2.217 179.674 177.584 -0.212 0.000 1.175 40 A CA 1.882 53.811 52.037 -0.181 0.000 0.628 40 A CB -0.657 18.346 19.000 0.005 0.000 0.814 40 A HN 0.526 nan 8.150 nan 0.000 0.444 41 K N -2.171 118.153 120.400 -0.127 0.000 2.305 41 K HA 0.014 4.334 4.320 -0.001 0.000 0.199 41 K C -0.286 176.073 176.600 -0.402 0.000 1.047 41 K CA 0.716 56.884 56.287 -0.198 0.000 0.976 41 K CB 0.057 32.484 32.500 -0.122 0.000 0.765 41 K HN 0.596 nan 8.250 nan 0.000 0.474 42 Y N 0.622 120.673 120.300 -0.414 0.000 2.617 42 Y HA 0.179 4.728 4.550 -0.001 0.000 0.328 42 Y C -0.273 174.813 175.900 -1.356 0.000 0.946 42 Y CA -0.778 56.820 58.100 -0.836 0.000 1.241 42 Y CB 0.605 38.744 38.460 -0.534 0.000 1.226 42 Y HN -0.107 nan 8.280 nan 0.000 0.582 43 S N -0.182 115.042 115.700 -0.793 0.000 2.579 43 S HA 0.961 5.430 4.470 -0.001 0.000 0.272 43 S C -0.972 173.544 174.600 -0.140 0.000 1.141 43 S CA -0.772 57.114 58.200 -0.523 0.000 0.843 43 S CB 2.207 64.961 63.200 -0.743 0.000 1.122 43 S HN 0.296 nan 8.310 nan 0.000 0.468 44 A N 1.554 124.414 122.820 0.066 0.000 2.486 44 A HA 0.847 5.167 4.320 -0.001 0.000 0.300 44 A C -1.014 176.646 177.584 0.127 0.000 1.048 44 A CA -0.955 51.163 52.037 0.135 0.000 0.696 44 A CB 1.354 20.510 19.000 0.260 0.000 1.278 44 A HN 0.666 nan 8.150 nan 0.000 0.405 45 R N 0.927 121.492 120.500 0.108 0.000 2.346 45 R HA 0.448 4.787 4.340 -0.001 0.000 0.311 45 R C -1.649 174.734 176.300 0.138 0.000 0.983 45 R CA -0.322 55.847 56.100 0.115 0.000 0.880 45 R CB 1.148 31.491 30.300 0.071 0.000 1.100 45 R HN 0.649 nan 8.270 nan 0.000 0.453 46 F N 2.092 122.039 119.950 -0.005 0.000 2.375 46 F HA 0.422 4.948 4.527 -0.000 0.000 0.361 46 F C 0.855 176.646 175.800 -0.015 0.000 1.117 46 F CA 0.447 58.412 58.000 -0.058 0.000 1.037 46 F CB 0.940 39.859 39.000 -0.135 0.000 1.192 46 F HN 0.879 nan 8.300 nan 0.000 0.452 47 G N 5.183 113.643 108.800 -0.566 0.000 2.578 47 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.275 47 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.275 47 G C 0.338 175.167 174.900 -0.118 0.000 1.271 47 G CA 0.360 45.232 45.100 -0.379 0.000 0.941 47 G HN 0.599 nan 8.290 nan 0.000 0.564 48 Q N 0.146 119.912 119.800 -0.058 0.000 2.319 48 Q HA 0.162 4.502 4.340 -0.001 0.000 0.209 48 Q C 0.917 176.942 176.000 0.041 0.000 0.884 48 Q CA 1.013 56.816 55.803 -0.001 0.000 0.938 48 Q CB 0.648 29.385 28.738 -0.002 0.000 1.098 48 Q HN 0.612 nan 8.270 nan 0.000 0.517 49 D N -0.335 120.106 120.400 0.068 0.000 2.469 49 D HA 0.278 4.918 4.640 -0.001 0.000 0.213 49 D C 0.049 176.428 176.300 0.132 0.000 1.135 49 D CA 0.122 54.180 54.000 0.097 0.000 0.834 49 D CB 1.576 42.432 40.800 0.094 0.000 1.009 49 D HN 0.123 nan 8.370 nan 0.000 0.507 50 I N 1.257 121.928 120.570 0.168 0.000 2.569 50 I HA 0.288 4.458 4.170 -0.001 0.000 0.290 50 I C -1.323 174.903 176.117 0.182 0.000 1.088 50 I CA -1.131 60.279 61.300 0.184 0.000 1.047 50 I CB 2.834 40.969 38.000 0.226 0.000 1.237 50 I HN -0.265 nan 8.210 nan 0.000 0.421 51 L N 7.875 129.205 121.223 0.179 0.000 2.333 51 L HA 0.629 4.969 4.340 -0.001 0.000 0.280 51 L C -1.171 175.823 176.870 0.206 0.000 1.004 51 L CA -0.403 54.554 54.840 0.195 0.000 0.820 51 L CB 1.797 43.996 42.059 0.233 0.000 1.247 51 L HN 0.320 nan 8.230 nan 0.000 0.416 52 V N 4.413 124.445 119.914 0.196 0.000 2.334 52 V HA 0.382 4.502 4.120 -0.001 0.000 0.281 52 V C -0.769 175.475 176.094 0.250 0.000 1.016 52 V CA -0.523 61.912 62.300 0.224 0.000 0.832 52 V CB 1.203 33.146 31.823 0.200 0.000 0.999 52 V HN 0.755 nan 8.190 nan 0.000 0.439 53 D N 4.316 124.872 120.400 0.260 0.000 2.412 53 D HA 0.261 4.900 4.640 -0.001 0.000 0.224 53 D C 0.034 176.483 176.300 0.247 0.000 1.093 53 D CA -0.504 53.618 54.000 0.204 0.000 0.850 53 D CB 1.065 42.075 40.800 0.350 0.000 1.046 53 D HN 0.623 nan 8.370 nan 0.000 0.507 54 Y N 1.520 121.931 120.300 0.185 0.000 2.681 54 Y HA 0.241 4.791 4.550 -0.001 0.000 0.267 54 Y C 1.516 177.542 175.900 0.210 0.000 1.166 54 Y CA -0.279 57.937 58.100 0.193 0.000 1.209 54 Y CB -0.309 38.258 38.460 0.179 0.000 1.161 54 Y HN 0.215 nan 8.280 nan 0.000 0.534 55 S N 0.315 116.074 115.700 0.099 0.000 2.436 55 S HA -0.034 4.436 4.470 -0.001 0.000 0.228 55 S C 1.011 175.737 174.600 0.210 0.000 1.014 55 S CA 0.209 58.450 58.200 0.069 0.000 0.950 55 S CB -0.293 63.017 63.200 0.183 0.000 0.784 55 S HN 0.490 nan 8.310 nan 0.000 0.504 56 K N 2.154 122.715 120.400 0.267 0.000 3.100 56 K HA 0.275 4.595 4.320 -0.001 0.000 0.256 56 K C -0.519 176.165 176.600 0.140 0.000 1.146 56 K CA -0.144 56.260 56.287 0.194 0.000 1.233 56 K CB -0.217 32.265 32.500 -0.029 0.000 1.226 56 K HN 0.349 nan 8.250 nan 0.000 0.442 57 N N 0.871 119.678 118.700 0.179 0.000 2.384 57 N HA 0.259 4.999 4.740 -0.001 0.000 0.301 57 N C -0.164 175.479 175.510 0.221 0.000 1.133 57 N CA -0.581 52.627 53.050 0.263 0.000 0.853 57 N CB 1.579 40.262 38.487 0.325 0.000 1.241 57 N HN 0.056 nan 8.380 nan 0.000 0.502 58 L N 1.823 123.260 121.223 0.358 0.000 2.533 58 L HA 0.185 4.525 4.340 -0.001 0.000 0.239 58 L C -0.067 177.022 176.870 0.364 0.000 1.376 58 L CA -0.392 54.656 54.840 0.348 0.000 1.240 58 L CB -0.768 41.541 42.059 0.418 0.000 1.487 58 L HN 0.193 nan 8.230 nan 0.000 0.419 59 V N -1.799 118.193 119.914 0.131 0.000 2.925 59 V HA 0.716 4.836 4.120 -0.001 0.000 0.311 59 V C -0.698 175.377 176.094 -0.032 0.000 1.104 59 V CA -0.814 61.484 62.300 -0.004 0.000 0.954 59 V CB 2.103 33.883 31.823 -0.071 0.000 1.022 59 V HN 0.455 nan 8.190 nan 0.000 0.427 60 N N 2.811 121.521 118.700 0.017 0.000 3.091 60 N HA 0.729 5.468 4.740 -0.001 0.000 0.329 60 N C 0.906 176.467 175.510 0.086 0.000 1.430 60 N CA -0.246 52.839 53.050 0.057 0.000 0.755 60 N CB 1.258 39.778 38.487 0.054 0.000 1.626 60 N HN 0.918 nan 8.380 nan 0.000 0.614 61 A N -0.339 122.531 122.820 0.083 0.000 1.940 61 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 61 A C 1.887 179.376 177.584 -0.157 0.000 1.176 61 A CA 1.983 54.020 52.037 -0.000 0.000 0.631 61 A CB -1.125 17.867 19.000 -0.013 0.000 0.814 61 A HN 0.871 nan 8.150 nan 0.000 0.446 62 E N -0.592 119.466 120.200 -0.237 0.000 2.077 62 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 62 E C 1.948 178.109 176.600 -0.732 0.000 0.989 62 E CA 1.692 57.782 56.400 -0.517 0.000 0.800 62 E CB -0.193 29.207 29.700 -0.501 0.000 0.746 62 E HN 0.594 nan 8.360 nan 0.000 0.452 63 T N 1.323 115.545 114.554 -0.552 0.000 2.684 63 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 63 T C 1.838 176.213 174.700 -0.541 0.000 1.036 63 T CA 1.592 63.336 62.100 -0.593 0.000 1.148 63 T CB -0.110 68.435 68.868 -0.538 0.000 0.863 63 T HN 0.180 nan 8.240 nan 0.000 0.436 64 M N 1.343 120.715 119.600 -0.379 0.000 2.117 64 M HA -0.079 4.401 4.480 -0.001 0.000 0.262 64 M C 2.450 178.559 176.300 -0.318 0.000 1.065 64 M CA 1.341 56.406 55.300 -0.391 0.000 1.114 64 M CB -1.379 31.140 32.600 -0.135 0.000 1.361 64 M HN 0.379 nan 8.290 nan 0.000 0.408 65 Q N -0.154 119.505 119.800 -0.235 0.000 2.077 65 Q HA -0.231 4.109 4.340 -0.001 0.000 0.206 65 Q C 2.013 177.908 176.000 -0.174 0.000 0.989 65 Q CA 1.732 57.432 55.803 -0.170 0.000 0.853 65 Q CB -0.111 28.426 28.738 -0.335 0.000 0.907 65 Q HN 0.529 nan 8.270 nan 0.000 0.418 66 H N 0.174 119.107 119.070 -0.229 0.000 2.389 66 H HA -0.062 4.494 4.556 -0.001 0.000 0.299 66 H C 2.239 177.435 175.328 -0.219 0.000 1.081 66 H CA 1.290 57.207 56.048 -0.218 0.000 1.345 66 H CB -0.221 29.359 29.762 -0.303 0.000 1.393 66 H HN 0.299 nan 8.280 nan 0.000 0.520 67 L N -0.369 120.708 121.223 -0.243 0.000 2.017 67 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 67 L C 2.338 179.070 176.870 -0.230 0.000 1.073 67 L CA 1.046 55.694 54.840 -0.321 0.000 0.745 67 L CB -0.498 41.241 42.059 -0.533 0.000 0.894 67 L HN 0.090 nan 8.230 nan 0.000 0.432 68 F N 0.071 119.989 119.950 -0.053 0.000 2.216 68 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 68 F C 2.583 178.418 175.800 0.057 0.000 1.085 68 F CA 0.908 58.916 58.000 0.014 0.000 1.326 68 F CB -1.079 37.936 39.000 0.025 0.000 1.027 68 F HN 0.006 nan 8.300 nan 0.000 0.497 69 A N -0.089 122.843 122.820 0.187 0.000 1.933 69 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 69 A C 2.154 179.815 177.584 0.129 0.000 1.175 69 A CA 1.466 53.590 52.037 0.145 0.000 0.628 69 A CB -1.016 18.058 19.000 0.123 0.000 0.814 69 A HN 0.344 nan 8.150 nan 0.000 0.444 70 L N -0.258 121.025 121.223 0.101 0.000 2.056 70 L HA -0.028 4.311 4.340 -0.001 0.000 0.207 70 L C 2.655 179.579 176.870 0.090 0.000 1.078 70 L CA 2.154 57.058 54.840 0.107 0.000 0.749 70 L CB -0.818 41.301 42.059 0.100 0.000 0.901 70 L HN 0.327 nan 8.230 nan 0.000 0.433 71 A N -0.630 122.232 122.820 0.070 0.000 1.908 71 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 71 A C 2.296 179.979 177.584 0.166 0.000 1.181 71 A CA 1.733 53.783 52.037 0.023 0.000 0.627 71 A CB -0.506 18.418 19.000 -0.127 0.000 0.818 71 A HN 0.401 nan 8.150 nan 0.000 0.445 72 K N -0.457 120.097 120.400 0.256 0.000 2.026 72 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 72 K C 1.934 178.616 176.600 0.137 0.000 1.048 72 K CA 1.632 58.059 56.287 0.233 0.000 0.929 72 K CB -0.428 32.174 32.500 0.170 0.000 0.713 72 K HN 0.731 nan 8.250 nan 0.000 0.439 73 E N 0.555 120.821 120.200 0.111 0.000 2.268 73 E HA -0.114 4.236 4.350 -0.001 0.000 0.195 73 E C 1.017 177.656 176.600 0.066 0.000 0.995 73 E CA 1.332 57.781 56.400 0.081 0.000 0.836 73 E CB 0.169 29.919 29.700 0.084 0.000 0.763 73 E HN 0.372 nan 8.360 nan 0.000 0.491 74 T N -2.025 112.568 114.554 0.065 0.000 3.144 74 T HA 0.014 4.364 4.350 -0.001 0.000 0.249 74 T C 0.392 175.119 174.700 0.045 0.000 1.089 74 T CA 0.326 62.449 62.100 0.038 0.000 0.989 74 T CB 0.190 69.066 68.868 0.013 0.000 0.992 74 T HN 0.049 nan 8.240 nan 0.000 0.540 75 D N 0.150 120.595 120.400 0.075 0.000 2.699 75 D HA -0.139 4.501 4.640 -0.001 0.000 0.239 75 D C 0.636 176.998 176.300 0.103 0.000 1.136 75 D CA 0.353 54.405 54.000 0.088 0.000 0.668 75 D CB -1.594 39.243 40.800 0.062 0.000 1.060 75 D HN 0.443 nan 8.370 nan 0.000 0.429 76 L N 0.967 122.266 121.223 0.127 0.000 2.127 76 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 76 L C 2.596 179.596 176.870 0.216 0.000 1.089 76 L CA 2.688 57.593 54.840 0.107 0.000 0.757 76 L CB -0.480 41.552 42.059 -0.046 0.000 0.899 76 L HN 0.500 nan 8.230 nan 0.000 0.434 77 Q N -1.843 118.134 119.800 0.294 0.000 2.084 77 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 77 Q C 1.972 178.032 176.000 0.101 0.000 0.978 77 Q CA 2.077 57.988 55.803 0.180 0.000 0.844 77 Q CB -0.764 28.001 28.738 0.044 0.000 0.898 77 Q HN 0.467 nan 8.270 nan 0.000 0.426 78 S N 1.161 116.918 115.700 0.095 0.000 2.402 78 S HA -0.029 4.441 4.470 -0.001 0.000 0.229 78 S C 2.115 176.796 174.600 0.134 0.000 1.021 78 S CA 0.865 59.116 58.200 0.085 0.000 0.974 78 S CB -0.298 62.943 63.200 0.069 0.000 0.800 78 S HN 0.589 nan 8.310 nan 0.000 0.484 79 A N 1.629 124.554 122.820 0.175 0.000 1.898 79 A HA -0.003 4.317 4.320 -0.001 0.000 0.216 79 A C 2.038 179.894 177.584 0.453 0.000 1.181 79 A CA 1.020 53.228 52.037 0.284 0.000 0.620 79 A CB -0.658 18.464 19.000 0.203 0.000 0.819 79 A HN 0.467 nan 8.150 nan 0.000 0.442 80 I N -0.348 120.456 120.570 0.389 0.000 2.163 80 I HA -0.249 3.921 4.170 -0.001 0.000 0.243 80 I C 2.601 178.849 176.117 0.219 0.000 1.085 80 I CA 1.852 63.346 61.300 0.324 0.000 1.347 80 I CB -0.733 37.266 38.000 -0.003 0.000 1.044 80 I HN 0.260 nan 8.210 nan 0.000 0.408 81 T N 0.830 115.451 114.554 0.111 0.000 2.720 81 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 81 T C 2.065 176.828 174.700 0.105 0.000 1.037 81 T CA 1.442 63.583 62.100 0.068 0.000 1.144 81 T CB -0.384 68.494 68.868 0.017 0.000 0.864 81 T HN 0.491 nan 8.240 nan 0.000 0.444 82 A N 1.769 124.665 122.820 0.127 0.000 1.883 82 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 82 A C 2.330 179.953 177.584 0.066 0.000 1.186 82 A CA 2.095 54.197 52.037 0.108 0.000 0.624 82 A CB -0.810 18.283 19.000 0.155 0.000 0.822 82 A HN 0.561 nan 8.150 nan 0.000 0.444 83 M N -1.673 117.969 119.600 0.070 0.000 2.065 83 M HA -0.150 4.330 4.480 -0.001 0.000 0.259 83 M C 1.943 178.093 176.300 -0.251 0.000 1.071 83 M CA 2.210 57.412 55.300 -0.164 0.000 1.109 83 M CB -0.332 32.001 32.600 -0.445 0.000 1.313 83 M HN 0.314 nan 8.290 nan 0.000 0.408 84 F N 1.161 120.995 119.950 -0.194 0.000 2.216 84 F HA -0.185 4.342 4.527 -0.001 0.000 0.300 84 F C 2.381 178.078 175.800 -0.172 0.000 1.085 84 F CA 1.932 59.818 58.000 -0.191 0.000 1.326 84 F CB -0.463 38.442 39.000 -0.158 0.000 1.027 84 F HN 0.333 nan 8.300 nan 0.000 0.497 85 K N -0.021 120.392 120.400 0.023 0.000 2.459 85 K HA 0.294 4.614 4.320 -0.001 0.000 0.193 85 K C 1.279 177.817 176.600 -0.103 0.000 1.030 85 K CA 0.894 57.160 56.287 -0.034 0.000 1.026 85 K CB 0.021 32.513 32.500 -0.013 0.000 0.809 85 K HN 0.213 nan 8.250 nan 0.000 0.504 86 G N 1.779 110.489 108.800 -0.150 0.000 2.131 86 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.223 86 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.223 86 G C -0.347 174.488 174.900 -0.109 0.000 0.990 86 G CA 0.224 45.208 45.100 -0.194 0.000 0.671 86 G HN 0.595 nan 8.290 nan 0.000 0.521 87 E N 0.411 120.579 120.200 -0.053 0.000 2.415 87 E HA 0.486 4.836 4.350 -0.001 0.000 0.262 87 E C 1.096 177.704 176.600 0.014 0.000 1.038 87 E CA 0.111 56.511 56.400 0.001 0.000 0.921 87 E CB 0.494 30.218 29.700 0.041 0.000 0.950 87 E HN 0.828 nan 8.360 nan 0.000 0.438 88 A N 6.059 128.904 122.820 0.042 0.000 3.048 88 A HA 0.107 4.427 4.320 -0.001 0.000 0.264 88 A C 1.180 178.830 177.584 0.110 0.000 1.796 88 A CA -0.193 51.883 52.037 0.065 0.000 1.445 88 A CB -1.158 17.882 19.000 0.067 0.000 1.074 88 A HN 0.715 nan 8.150 nan 0.000 0.621 89 I N -1.580 119.070 120.570 0.133 0.000 2.614 89 I HA -0.054 4.116 4.170 -0.001 0.000 0.258 89 I C 0.926 177.233 176.117 0.316 0.000 1.189 89 I CA 0.638 62.088 61.300 0.249 0.000 1.462 89 I CB -0.184 37.994 38.000 0.297 0.000 1.092 89 I HN 0.409 nan 8.210 nan 0.000 0.442 90 N N 2.474 121.301 118.700 0.212 0.000 2.739 90 N HA 0.049 4.789 4.740 -0.001 0.000 0.266 90 N C 0.756 176.268 175.510 0.003 0.000 1.168 90 N CA 0.222 53.371 53.050 0.165 0.000 1.055 90 N CB 0.358 38.960 38.487 0.192 0.000 1.393 90 N HN 0.476 nan 8.380 nan 0.000 0.514 91 Q N 0.005 119.696 119.800 -0.181 0.000 2.172 91 Q HA -0.100 4.240 4.340 -0.001 0.000 0.200 91 Q C 1.551 177.444 176.000 -0.180 0.000 0.964 91 Q CA 1.727 57.434 55.803 -0.161 0.000 0.855 91 Q CB 0.076 28.770 28.738 -0.073 0.000 0.918 91 Q HN 0.723 nan 8.270 nan 0.000 0.444 92 T N -1.663 112.699 114.554 -0.319 0.000 2.951 92 T HA -0.081 4.268 4.350 -0.001 0.000 0.268 92 T C 1.355 176.181 174.700 0.209 0.000 1.073 92 T CA 1.022 63.112 62.100 -0.017 0.000 1.134 92 T CB 0.038 69.006 68.868 0.167 0.000 0.884 92 T HN 0.248 nan 8.240 nan 0.000 0.479 93 E N 0.531 120.823 120.200 0.153 0.000 2.498 93 E HA 0.122 4.471 4.350 -0.001 0.000 0.203 93 E C -0.183 176.481 176.600 0.107 0.000 1.013 93 E CA -0.032 56.466 56.400 0.162 0.000 0.927 93 E CB 0.226 29.979 29.700 0.087 0.000 1.012 93 E HN 0.375 nan 8.360 nan 0.000 0.482 94 D N 1.664 122.111 120.400 0.078 0.000 2.812 94 D HA -0.188 4.452 4.640 -0.001 0.000 0.237 94 D C -0.944 175.411 176.300 0.090 0.000 1.162 94 D CA 0.871 54.916 54.000 0.075 0.000 0.740 94 D CB -0.719 40.125 40.800 0.073 0.000 1.000 94 D HN 0.143 nan 8.370 nan 0.000 0.416 95 R N -0.261 120.298 120.500 0.099 0.000 2.771 95 R HA 0.834 5.174 4.340 -0.001 0.000 0.274 95 R C -0.018 176.350 176.300 0.113 0.000 0.987 95 R CA -0.471 55.706 56.100 0.128 0.000 0.908 95 R CB 1.584 31.973 30.300 0.148 0.000 1.213 95 R HN 0.144 nan 8.270 nan 0.000 0.468 96 A N 1.168 124.061 122.820 0.121 0.000 2.327 96 A HA 0.474 4.793 4.320 -0.001 0.000 0.255 96 A C -0.387 177.225 177.584 0.046 0.000 1.099 96 A CA -0.287 51.769 52.037 0.033 0.000 0.801 96 A CB 0.660 19.615 19.000 -0.075 0.000 1.062 96 A HN 0.358 nan 8.150 nan 0.000 0.496 97 V N 1.370 121.205 119.914 -0.131 0.000 2.385 97 V HA 0.288 4.408 4.120 -0.001 0.000 0.277 97 V C -0.293 175.573 176.094 -0.380 0.000 1.012 97 V CA 0.141 62.275 62.300 -0.277 0.000 0.832 97 V CB 0.534 31.925 31.823 -0.720 0.000 1.028 97 V HN 0.709 nan 8.190 nan 0.000 0.436 98 L N 4.563 125.713 121.223 -0.122 0.000 3.255 98 L HA 0.285 4.625 4.340 -0.001 0.000 0.293 98 L C 1.914 178.777 176.870 -0.013 0.000 1.302 98 L CA -0.249 54.432 54.840 -0.264 0.000 0.977 98 L CB 0.086 41.793 42.059 -0.587 0.000 1.390 98 L HN 0.797 nan 8.230 nan 0.000 0.588 99 H N -1.605 117.495 119.070 0.049 0.000 2.457 99 H HA -0.139 4.416 4.556 -0.000 0.000 0.297 99 H C 1.817 177.111 175.328 -0.056 0.000 1.092 99 H CA 1.699 57.824 56.048 0.129 0.000 1.309 99 H CB -0.845 29.026 29.762 0.182 0.000 1.382 99 H HN 0.438 nan 8.280 nan 0.000 0.535 100 T N -0.925 113.327 114.554 -0.504 0.000 2.833 100 T HA 0.046 4.395 4.350 -0.001 0.000 0.269 100 T C 2.327 176.936 174.700 -0.152 0.000 1.054 100 T CA 1.130 63.016 62.100 -0.357 0.000 1.135 100 T CB -0.546 67.939 68.868 -0.638 0.000 0.869 100 T HN 0.492 nan 8.240 nan 0.000 0.466 101 A N 1.505 124.228 122.820 -0.161 0.000 2.015 101 A HA 0.248 4.568 4.320 -0.001 0.000 0.219 101 A C 2.362 179.975 177.584 0.049 0.000 1.163 101 A CA 0.875 52.852 52.037 -0.101 0.000 0.646 101 A CB -0.814 18.008 19.000 -0.295 0.000 0.806 101 A HN 0.558 nan 8.150 nan 0.000 0.448 102 L N -0.312 121.017 121.223 0.177 0.000 2.191 102 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 102 L C 2.330 179.305 176.870 0.174 0.000 1.103 102 L CA 1.491 56.506 54.840 0.291 0.000 0.769 102 L CB -0.318 42.002 42.059 0.435 0.000 0.908 102 L HN 0.549 nan 8.230 nan 0.000 0.438 103 R N -0.706 119.819 120.500 0.041 0.000 2.586 103 R HA 0.097 4.437 4.340 -0.001 0.000 0.336 103 R C 0.175 176.413 176.300 -0.104 0.000 1.060 103 R CA -0.208 55.873 56.100 -0.033 0.000 1.079 103 R CB -0.648 29.563 30.300 -0.149 0.000 1.317 103 R HN 0.027 nan 8.270 nan 0.000 0.568 104 N N 2.284 120.926 118.700 -0.098 0.000 2.819 104 N HA 0.014 4.754 4.740 -0.001 0.000 0.284 104 N C 0.550 175.827 175.510 -0.388 0.000 1.196 104 N CA -0.195 52.723 53.050 -0.220 0.000 1.114 104 N CB 0.487 38.946 38.487 -0.047 0.000 1.437 104 N HN 0.068 nan 8.380 nan 0.000 0.518 105 R N 0.454 120.501 120.500 -0.754 0.000 2.152 105 R HA -0.098 4.242 4.340 -0.001 0.000 0.232 105 R C 1.849 177.993 176.300 -0.261 0.000 1.117 105 R CA 1.096 56.946 56.100 -0.416 0.000 0.981 105 R CB -1.125 28.976 30.300 -0.331 0.000 0.870 105 R HN 0.655 nan 8.270 nan 0.000 0.451 106 S N 0.930 116.456 115.700 -0.290 0.000 2.423 106 S HA -0.122 4.347 4.470 -0.001 0.000 0.231 106 S C 0.697 175.282 174.600 -0.025 0.000 1.014 106 S CA 0.686 58.871 58.200 -0.026 0.000 0.965 106 S CB -0.175 63.099 63.200 0.124 0.000 0.785 106 S HN 0.308 nan 8.310 nan 0.000 0.495 107 N N 1.269 119.937 118.700 -0.053 0.000 2.753 107 N HA -0.142 4.597 4.740 -0.001 0.000 0.251 107 N C -0.217 175.284 175.510 -0.016 0.000 1.097 107 N CA 1.092 54.125 53.050 -0.028 0.000 0.786 107 N CB -2.254 36.225 38.487 -0.013 0.000 1.137 107 N HN 0.885 nan 8.380 nan 0.000 0.566 108 S N -0.084 115.614 115.700 -0.004 0.000 2.560 108 S HA 0.381 4.851 4.470 -0.001 0.000 0.284 108 S C -2.283 172.302 174.600 -0.025 0.000 1.327 108 S CA -0.939 57.258 58.200 -0.005 0.000 1.055 108 S CB 1.103 64.309 63.200 0.010 0.000 0.868 108 S HN -0.006 nan 8.310 nan 0.000 0.506 109 P HA 0.271 nan 4.420 nan 0.000 0.268 109 P C -1.065 176.189 177.300 -0.078 0.000 1.205 109 P CA -0.369 62.698 63.100 -0.055 0.000 0.771 109 P CB 0.483 32.155 31.700 -0.048 0.000 0.858 110 V N 4.585 124.426 119.914 -0.122 0.000 2.447 110 V HA 0.272 4.392 4.120 -0.001 0.000 0.292 110 V C -0.010 175.957 176.094 -0.212 0.000 1.021 110 V CA -0.510 61.681 62.300 -0.180 0.000 0.850 110 V CB 1.296 32.965 31.823 -0.257 0.000 1.005 110 V HN 0.351 nan 8.190 nan 0.000 0.426 111 L N 5.313 126.429 121.223 -0.177 0.000 2.292 111 L HA 0.706 5.046 4.340 -0.001 0.000 0.284 111 L C -0.575 176.180 176.870 -0.191 0.000 1.065 111 L CA -0.619 54.128 54.840 -0.154 0.000 0.806 111 L CB 1.636 43.637 42.059 -0.096 0.000 1.175 111 L HN 0.338 nan 8.230 nan 0.000 0.431 112 V N 2.979 122.792 119.914 -0.167 0.000 2.623 112 V HA 0.292 4.412 4.120 -0.001 0.000 0.304 112 V C -0.171 175.899 176.094 -0.040 0.000 1.054 112 V CA -0.782 61.439 62.300 -0.132 0.000 0.882 112 V CB 1.662 33.378 31.823 -0.179 0.000 1.002 112 V HN 0.884 nan 8.190 nan 0.000 0.424 113 N N 3.693 122.386 118.700 -0.011 0.000 2.727 113 N HA -0.210 4.530 4.740 -0.001 0.000 0.249 113 N C 1.181 176.690 175.510 -0.003 0.000 1.048 113 N CA 1.558 54.614 53.050 0.009 0.000 0.714 113 N CB -0.997 37.512 38.487 0.037 0.000 0.959 113 N HN 1.640 nan 8.380 nan 0.000 0.544 114 G N -1.049 107.740 108.800 -0.019 0.000 2.155 114 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.257 114 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.257 114 G C -0.220 174.666 174.900 -0.024 0.000 0.983 114 G CA 0.952 46.040 45.100 -0.020 0.000 0.676 114 G HN 0.616 nan 8.290 nan 0.000 0.528 115 E N -0.064 120.116 120.200 -0.033 0.000 2.293 115 E HA 0.376 4.726 4.350 -0.001 0.000 0.270 115 E C -1.275 175.286 176.600 -0.065 0.000 0.879 115 E CA -1.052 55.327 56.400 -0.035 0.000 0.756 115 E CB 1.564 31.255 29.700 -0.015 0.000 1.208 115 E HN 0.095 nan 8.360 nan 0.000 0.428 116 D N 1.742 122.104 120.400 -0.063 0.000 2.417 116 D HA -0.011 4.628 4.640 -0.001 0.000 0.250 116 D C 0.882 177.120 176.300 -0.104 0.000 1.166 116 D CA -0.099 53.848 54.000 -0.088 0.000 0.881 116 D CB 1.483 42.246 40.800 -0.061 0.000 1.164 116 D HN 0.294 nan 8.370 nan 0.000 0.467 117 V N 2.111 121.922 119.914 -0.171 0.000 3.406 117 V HA -0.054 4.066 4.120 -0.001 0.000 0.263 117 V C 1.914 177.911 176.094 -0.161 0.000 1.172 117 V CA 0.211 62.390 62.300 -0.201 0.000 1.140 117 V CB -0.396 31.218 31.823 -0.348 0.000 0.784 117 V HN 0.437 nan 8.190 nan 0.000 0.467 118 M N 0.897 120.430 119.600 -0.113 0.000 2.159 118 M HA 0.040 4.519 4.480 -0.001 0.000 0.263 118 M C 0.149 176.445 176.300 -0.007 0.000 1.063 118 M CA 1.475 56.742 55.300 -0.055 0.000 1.110 118 M CB -2.534 30.040 32.600 -0.044 0.000 1.374 118 M HN 0.342 nan 8.290 nan 0.000 0.411 119 P HA -0.072 nan 4.420 nan 0.000 0.215 119 P C 1.346 178.687 177.300 0.068 0.000 1.153 119 P CA 1.940 65.060 63.100 0.034 0.000 0.853 119 P CB -0.169 31.547 31.700 0.026 0.000 0.788 120 A N -0.716 122.130 122.820 0.044 0.000 1.930 120 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 120 A C 2.327 180.050 177.584 0.231 0.000 1.175 120 A CA 1.553 53.669 52.037 0.132 0.000 0.627 120 A CB -1.662 17.382 19.000 0.074 0.000 0.815 120 A HN 0.011 nan 8.150 nan 0.000 0.443 121 V N 1.150 121.111 119.914 0.078 0.000 2.287 121 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 121 V C 2.262 178.534 176.094 0.296 0.000 1.053 121 V CA 2.202 64.653 62.300 0.252 0.000 1.027 121 V CB -0.903 31.013 31.823 0.155 0.000 0.646 121 V HN 0.563 nan 8.190 nan 0.000 0.447 122 N N 0.309 119.125 118.700 0.194 0.000 2.244 122 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 122 N C 1.840 177.467 175.510 0.195 0.000 1.016 122 N CA 1.502 54.664 53.050 0.187 0.000 0.866 122 N CB -0.392 38.171 38.487 0.127 0.000 0.980 122 N HN 0.504 nan 8.380 nan 0.000 0.430 123 A N 0.709 123.645 122.820 0.193 0.000 1.898 123 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 123 A C 2.481 180.190 177.584 0.209 0.000 1.181 123 A CA 1.129 53.271 52.037 0.176 0.000 0.620 123 A CB -0.671 18.425 19.000 0.161 0.000 0.819 123 A HN 0.091 nan 8.150 nan 0.000 0.442 124 V N 0.198 120.286 119.914 0.289 0.000 2.343 124 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 124 V C 2.561 178.819 176.094 0.273 0.000 1.051 124 V CA 1.899 64.378 62.300 0.297 0.000 1.036 124 V CB -0.842 31.194 31.823 0.355 0.000 0.654 124 V HN 0.564 nan 8.190 nan 0.000 0.451 125 L N 0.207 121.608 121.223 0.297 0.000 2.042 125 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 125 L C 2.741 179.705 176.870 0.155 0.000 1.076 125 L CA 1.770 56.802 54.840 0.320 0.000 0.749 125 L CB -0.818 41.496 42.059 0.425 0.000 0.893 125 L HN 0.374 nan 8.230 nan 0.000 0.432 126 A N -0.170 122.719 122.820 0.116 0.000 1.902 126 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 126 A C 2.333 179.930 177.584 0.021 0.000 1.181 126 A CA 1.641 53.684 52.037 0.010 0.000 0.623 126 A CB -0.340 18.694 19.000 0.056 0.000 0.818 126 A HN 0.318 nan 8.150 nan 0.000 0.443 127 K N -0.898 119.574 120.400 0.120 0.000 2.057 127 K HA -0.079 4.241 4.320 -0.001 0.000 0.207 127 K C 2.110 178.869 176.600 0.265 0.000 1.049 127 K CA 1.691 58.096 56.287 0.197 0.000 0.931 127 K CB -0.288 32.351 32.500 0.231 0.000 0.714 127 K HN 0.506 nan 8.250 nan 0.000 0.440 128 M N 0.736 120.439 119.600 0.173 0.000 2.159 128 M HA -0.176 4.304 4.480 -0.001 0.000 0.263 128 M C 2.345 178.618 176.300 -0.046 0.000 1.063 128 M CA 1.448 56.739 55.300 -0.014 0.000 1.110 128 M CB -0.263 32.256 32.600 -0.135 0.000 1.374 128 M HN 0.084 nan 8.290 nan 0.000 0.411 129 K N 0.818 121.072 120.400 -0.243 0.000 2.009 129 K HA -0.173 4.146 4.320 -0.001 0.000 0.210 129 K C 1.974 178.484 176.600 -0.150 0.000 1.049 129 K CA 1.716 57.724 56.287 -0.464 0.000 0.929 129 K CB -0.128 31.785 32.500 -0.980 0.000 0.714 129 K HN 0.258 nan 8.250 nan 0.000 0.440 130 A N 0.729 123.520 122.820 -0.048 0.000 1.877 130 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 130 A C 2.040 179.691 177.584 0.111 0.000 1.186 130 A CA 1.480 53.542 52.037 0.042 0.000 0.620 130 A CB -0.870 18.180 19.000 0.083 0.000 0.822 130 A HN 0.549 nan 8.150 nan 0.000 0.443 131 F N 1.992 121.958 119.950 0.027 0.000 2.102 131 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 131 F C 2.769 178.517 175.800 -0.086 0.000 1.105 131 F CA 2.115 60.128 58.000 0.023 0.000 1.239 131 F CB -0.353 38.709 39.000 0.104 0.000 0.991 131 F HN 0.322 nan 8.300 nan 0.000 0.474 132 S N -0.372 115.286 115.700 -0.071 0.000 2.382 132 S HA -0.221 4.248 4.470 -0.001 0.000 0.228 132 S C 1.820 176.321 174.600 -0.166 0.000 1.027 132 S CA 1.396 59.485 58.200 -0.185 0.000 0.991 132 S CB -0.863 62.294 63.200 -0.072 0.000 0.823 132 S HN 0.640 nan 8.310 nan 0.000 0.469 133 E N 1.245 121.394 120.200 -0.085 0.000 2.110 133 E HA -0.089 4.261 4.350 -0.001 0.000 0.193 133 E C 2.482 179.052 176.600 -0.049 0.000 0.988 133 E CA 1.047 57.422 56.400 -0.041 0.000 0.804 133 E CB -0.133 29.562 29.700 -0.008 0.000 0.745 133 E HN 0.569 nan 8.360 nan 0.000 0.458 134 R N 0.266 120.723 120.500 -0.072 0.000 2.075 134 R HA -0.089 4.250 4.340 -0.001 0.000 0.232 134 R C 2.424 178.686 176.300 -0.063 0.000 1.126 134 R CA 1.039 57.129 56.100 -0.016 0.000 0.963 134 R CB -0.248 30.098 30.300 0.077 0.000 0.858 134 R HN 0.034 nan 8.270 nan 0.000 0.435 135 V N 1.155 120.883 119.914 -0.310 0.000 2.283 135 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 135 V C 2.209 178.215 176.094 -0.147 0.000 1.039 135 V CA 1.696 63.779 62.300 -0.362 0.000 1.016 135 V CB -0.340 31.044 31.823 -0.731 0.000 0.650 135 V HN 0.236 nan 8.190 nan 0.000 0.449 136 I N 0.950 121.443 120.570 -0.128 0.000 2.252 136 I HA -0.127 4.042 4.170 -0.001 0.000 0.245 136 I C 2.446 178.651 176.117 0.147 0.000 1.102 136 I CA 1.722 63.017 61.300 -0.009 0.000 1.385 136 I CB -0.759 37.217 38.000 -0.040 0.000 1.064 136 I HN 0.409 nan 8.210 nan 0.000 0.414 137 G N -0.501 108.335 108.800 0.061 0.000 2.650 137 G HA2 0.165 4.125 3.960 -0.001 0.000 0.214 137 G HA3 0.165 4.125 3.960 -0.001 0.000 0.214 137 G C 1.389 176.313 174.900 0.040 0.000 1.136 137 G CA 0.646 45.779 45.100 0.055 0.000 0.789 137 G HN 0.587 nan 8.290 nan 0.000 0.536 138 G N -0.136 108.698 108.800 0.056 0.000 2.176 138 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.232 138 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.232 138 G C 0.899 175.835 174.900 0.060 0.000 0.986 138 G CA 0.647 45.779 45.100 0.053 0.000 0.643 138 G HN 0.500 nan 8.290 nan 0.000 0.522 139 E N -1.086 119.153 120.200 0.065 0.000 2.106 139 E HA -0.049 4.301 4.350 -0.001 0.000 0.192 139 E C 1.114 177.768 176.600 0.090 0.000 0.984 139 E CA 0.564 57.001 56.400 0.061 0.000 0.806 139 E CB 0.077 29.812 29.700 0.057 0.000 0.750 139 E HN 0.538 nan 8.360 nan 0.000 0.458 140 W N 2.905 124.160 121.300 -0.075 0.000 2.446 140 W HA 0.062 4.722 4.660 -0.001 0.000 0.316 140 W C -0.553 175.924 176.519 -0.070 0.000 1.376 140 W CA -0.046 57.248 57.345 -0.086 0.000 1.300 140 W CB 0.344 29.702 29.460 -0.170 0.000 1.351 140 W HN -0.207 nan 8.180 nan 0.000 0.530 141 K N 4.619 124.921 120.400 -0.164 0.000 2.123 141 K HA 0.485 4.805 4.320 -0.001 0.000 0.259 141 K C 0.572 177.109 176.600 -0.106 0.000 0.960 141 K CA -0.581 55.666 56.287 -0.067 0.000 0.872 141 K CB 1.422 33.875 32.500 -0.078 0.000 1.079 141 K HN 0.595 nan 8.250 nan 0.000 0.440 142 G N 0.621 109.444 108.800 0.039 0.000 2.611 142 G HA2 0.152 4.112 3.960 -0.001 0.000 0.273 142 G HA3 0.152 4.112 3.960 -0.001 0.000 0.273 142 G C 0.698 175.732 174.900 0.222 0.000 1.305 142 G CA -0.492 44.700 45.100 0.153 0.000 1.010 142 G HN 0.619 nan 8.290 nan 0.000 0.509 143 F N -1.380 118.839 119.950 0.448 0.000 2.546 143 F HA 0.057 4.584 4.527 -0.001 0.000 0.298 143 F C 1.987 177.735 175.800 -0.086 0.000 1.120 143 F CA 1.188 59.217 58.000 0.048 0.000 1.456 143 F CB -0.359 38.498 39.000 -0.240 0.000 1.088 143 F HN 0.304 nan 8.300 nan 0.000 0.572 144 T N -3.533 110.641 114.554 -0.634 0.000 3.134 144 T HA 0.513 4.862 4.350 -0.001 0.000 0.260 144 T C 1.395 175.967 174.700 -0.213 0.000 1.027 144 T CA 0.143 61.957 62.100 -0.475 0.000 0.913 144 T CB -0.001 68.502 68.868 -0.607 0.000 1.046 144 T HN 0.823 nan 8.240 nan 0.000 0.553 145 G N 1.463 110.186 108.800 -0.130 0.000 2.132 145 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.234 145 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.234 145 G C -0.169 174.701 174.900 -0.050 0.000 0.989 145 G CA -0.095 44.962 45.100 -0.071 0.000 0.676 145 G HN 0.662 nan 8.290 nan 0.000 0.522 146 K N 0.225 120.600 120.400 -0.042 0.000 2.118 146 K HA 0.751 5.071 4.320 -0.001 0.000 0.254 146 K C 0.696 177.319 176.600 0.038 0.000 0.961 146 K CA -0.161 56.121 56.287 -0.009 0.000 0.876 146 K CB 1.705 34.196 32.500 -0.016 0.000 1.077 146 K HN 0.476 nan 8.250 nan 0.000 0.440 147 A N 2.482 125.327 122.820 0.042 0.000 2.425 147 A HA 0.199 4.518 4.320 -0.001 0.000 0.242 147 A C 0.194 177.837 177.584 0.099 0.000 1.077 147 A CA -0.433 51.649 52.037 0.074 0.000 0.781 147 A CB 0.030 19.059 19.000 0.050 0.000 1.020 147 A HN 0.530 nan 8.150 nan 0.000 0.494 148 I N 1.974 122.613 120.570 0.115 0.000 2.588 148 I HA 0.083 4.252 4.170 -0.001 0.000 0.283 148 I C 1.602 177.770 176.117 0.085 0.000 1.119 148 I CA 1.047 62.399 61.300 0.086 0.000 1.419 148 I CB 0.679 38.683 38.000 0.007 0.000 1.394 148 I HN 0.884 nan 8.210 nan 0.000 0.562 149 T N 0.288 114.884 114.554 0.070 0.000 2.955 149 T HA 0.263 4.613 4.350 -0.001 0.000 0.251 149 T C 0.153 174.867 174.700 0.024 0.000 1.002 149 T CA -0.210 61.938 62.100 0.080 0.000 0.970 149 T CB 0.261 69.184 68.868 0.093 0.000 1.091 149 T HN 0.476 nan 8.240 nan 0.000 0.495 150 D N 0.306 120.703 120.400 -0.005 0.000 2.738 150 D HA 0.649 5.289 4.640 -0.001 0.000 0.237 150 D C -1.522 174.698 176.300 -0.134 0.000 1.123 150 D CA -0.487 53.502 54.000 -0.018 0.000 0.856 150 D CB 2.814 43.631 40.800 0.028 0.000 1.552 150 D HN 0.045 nan 8.370 nan 0.000 0.480 151 V N 1.846 121.672 119.914 -0.145 0.000 2.487 151 V HA 0.498 4.618 4.120 -0.001 0.000 0.298 151 V C -0.615 175.304 176.094 -0.293 0.000 1.028 151 V CA -0.754 61.387 62.300 -0.265 0.000 0.860 151 V CB 1.906 33.574 31.823 -0.258 0.000 0.991 151 V HN 0.365 nan 8.190 nan 0.000 0.427 152 V N 4.121 123.761 119.914 -0.458 0.000 2.378 152 V HA 0.389 4.509 4.120 -0.001 0.000 0.288 152 V C -0.080 175.815 176.094 -0.330 0.000 1.016 152 V CA -0.715 61.329 62.300 -0.427 0.000 0.840 152 V CB 1.615 33.110 31.823 -0.548 0.000 0.994 152 V HN 0.915 nan 8.190 nan 0.000 0.431 153 N N 4.514 122.944 118.700 -0.449 0.000 2.472 153 N HA 0.531 5.271 4.740 -0.001 0.000 0.277 153 N C -0.880 174.533 175.510 -0.161 0.000 1.081 153 N CA -0.254 52.604 53.050 -0.320 0.000 0.973 153 N CB 0.792 38.996 38.487 -0.472 0.000 1.105 153 N HN 0.631 nan 8.380 nan 0.000 0.470 154 I N 2.508 123.040 120.570 -0.065 0.000 2.382 154 I HA 0.639 4.809 4.170 -0.001 0.000 0.286 154 I C 0.563 176.661 176.117 -0.033 0.000 1.002 154 I CA -0.630 60.644 61.300 -0.043 0.000 1.135 154 I CB 1.568 39.551 38.000 -0.028 0.000 1.288 154 I HN 0.591 nan 8.210 nan 0.000 0.448 155 G N 6.318 115.109 108.800 -0.016 0.000 2.523 155 G HA2 0.638 4.598 3.960 -0.001 0.000 0.291 155 G HA3 0.638 4.598 3.960 -0.001 0.000 0.291 155 G C -1.493 173.409 174.900 0.003 0.000 1.450 155 G CA -0.673 44.422 45.100 -0.008 0.000 0.790 155 G HN 0.670 nan 8.290 nan 0.000 0.496 156 I N -1.591 118.975 120.570 -0.006 0.000 2.892 156 I HA 0.889 5.059 4.170 -0.001 0.000 0.306 156 I C 1.066 177.170 176.117 -0.022 0.000 1.078 156 I CA -0.198 61.097 61.300 -0.008 0.000 1.032 156 I CB 1.909 39.901 38.000 -0.013 0.000 1.229 156 I HN 1.830 nan 8.210 nan 0.000 0.435 157 G N 3.008 111.787 108.800 -0.035 0.000 2.660 157 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.321 157 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.321 157 G C 0.907 175.760 174.900 -0.079 0.000 1.246 157 G CA 0.820 45.881 45.100 -0.066 0.000 1.000 157 G HN 1.498 nan 8.290 nan 0.000 0.550 158 G N -0.666 108.081 108.800 -0.089 0.000 2.470 158 G HA2 0.109 4.069 3.960 -0.001 0.000 0.220 158 G HA3 0.109 4.069 3.960 -0.001 0.000 0.220 158 G C 1.872 176.726 174.900 -0.075 0.000 1.121 158 G CA 1.901 46.942 45.100 -0.098 0.000 0.766 158 G HN 1.109 nan 8.290 nan 0.000 0.553 159 S N -0.509 115.161 115.700 -0.051 0.000 2.603 159 S HA 0.092 4.562 4.470 -0.001 0.000 0.220 159 S C 1.393 175.993 174.600 0.000 0.000 0.967 159 S CA 0.990 59.164 58.200 -0.043 0.000 0.920 159 S CB 0.200 63.389 63.200 -0.019 0.000 0.773 159 S HN 0.645 nan 8.310 nan 0.000 0.529 160 D N 0.486 120.887 120.400 0.003 0.000 2.932 160 D HA 0.189 4.828 4.640 -0.001 0.000 0.294 160 D C 1.643 177.933 176.300 -0.017 0.000 1.119 160 D CA -0.044 53.982 54.000 0.043 0.000 0.980 160 D CB -0.277 40.547 40.800 0.041 0.000 1.361 160 D HN 0.130 nan 8.370 nan 0.000 0.466 161 L N 0.588 121.798 121.223 -0.022 0.000 2.012 161 L HA 0.048 4.387 4.340 -0.001 0.000 0.210 161 L C 2.512 179.382 176.870 0.001 0.000 1.073 161 L CA 1.670 56.510 54.840 0.000 0.000 0.748 161 L CB -0.721 41.316 42.059 -0.037 0.000 0.891 161 L HN 0.247 nan 8.230 nan 0.000 0.431 162 G N 0.215 109.024 108.800 0.016 0.000 2.414 162 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.215 162 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.215 162 G C -0.739 173.962 174.900 -0.333 0.000 1.188 162 G CA 0.600 45.568 45.100 -0.219 0.000 0.783 162 G HN 0.305 nan 8.290 nan 0.000 0.537 163 P HA -0.148 nan 4.420 nan 0.000 0.216 163 P C 1.408 178.405 177.300 -0.505 0.000 1.150 163 P CA 0.869 63.852 63.100 -0.195 0.000 0.837 163 P CB -0.090 31.655 31.700 0.076 0.000 0.786 164 Y N -0.117 119.587 120.300 -0.993 0.000 2.163 164 Y HA -0.145 4.405 4.550 -0.001 0.000 0.288 164 Y C 2.305 177.833 175.900 -0.620 0.000 1.136 164 Y CA 1.310 58.639 58.100 -1.285 0.000 1.147 164 Y CB -1.120 36.759 38.460 -0.968 0.000 0.987 164 Y HN -0.174 nan 8.280 nan 0.000 0.509 165 M N -0.651 118.628 119.600 -0.534 0.000 2.108 165 M HA -0.168 4.311 4.480 -0.001 0.000 0.261 165 M C 1.857 177.917 176.300 -0.400 0.000 1.066 165 M CA 1.795 56.786 55.300 -0.514 0.000 1.107 165 M CB -0.813 31.530 32.600 -0.427 0.000 1.356 165 M HN 0.201 nan 8.290 nan 0.000 0.406 166 V N 0.665 120.355 119.914 -0.374 0.000 2.379 166 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 166 V C 2.621 178.596 176.094 -0.197 0.000 1.044 166 V CA 2.169 64.306 62.300 -0.270 0.000 1.036 166 V CB -1.418 30.236 31.823 -0.281 0.000 0.664 166 V HN 0.681 nan 8.190 nan 0.000 0.453 167 T N -2.124 112.318 114.554 -0.186 0.000 2.788 167 T HA -0.192 4.158 4.350 -0.001 0.000 0.268 167 T C 1.712 176.345 174.700 -0.112 0.000 1.044 167 T CA 1.342 63.390 62.100 -0.087 0.000 1.139 167 T CB -0.283 68.624 68.868 0.065 0.000 0.867 167 T HN 0.415 nan 8.240 nan 0.000 0.454 168 E N 1.776 121.855 120.200 -0.200 0.000 2.072 168 E HA 0.044 4.393 4.350 -0.001 0.000 0.191 168 E C 2.656 179.216 176.600 -0.068 0.000 0.985 168 E CA 1.297 57.620 56.400 -0.128 0.000 0.801 168 E CB -0.698 28.826 29.700 -0.292 0.000 0.750 168 E HN 0.695 nan 8.360 nan 0.000 0.452 169 A N 0.803 123.557 122.820 -0.111 0.000 1.972 169 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 169 A C 1.989 179.478 177.584 -0.158 0.000 1.169 169 A CA 0.880 52.883 52.037 -0.058 0.000 0.635 169 A CB -0.288 18.680 19.000 -0.054 0.000 0.810 169 A HN 0.171 nan 8.150 nan 0.000 0.446 170 L N -0.312 120.806 121.223 -0.175 0.000 2.872 170 L HA 0.124 4.464 4.340 -0.001 0.000 0.245 170 L C 1.465 178.224 176.870 -0.184 0.000 1.211 170 L CA -0.357 54.405 54.840 -0.130 0.000 1.013 170 L CB 0.472 42.479 42.059 -0.086 0.000 1.326 170 L HN 0.096 nan 8.230 nan 0.000 0.525 171 V N 1.304 120.987 119.914 -0.385 0.000 2.370 171 V HA -0.216 3.904 4.120 -0.001 0.000 0.252 171 V C -0.168 175.692 176.094 -0.389 0.000 1.068 171 V CA 2.156 64.242 62.300 -0.357 0.000 1.061 171 V CB -1.071 30.548 31.823 -0.340 0.000 0.656 171 V HN 0.426 nan 8.190 nan 0.000 0.455 172 P HA -0.139 nan 4.420 nan 0.000 0.221 172 P C 0.823 177.762 177.300 -0.601 0.000 1.145 172 P CA 1.401 64.121 63.100 -0.634 0.000 0.795 172 P CB -0.112 30.929 31.700 -1.098 0.000 0.775 173 Y N -0.556 119.580 120.300 -0.274 0.000 2.468 173 Y HA 0.104 4.654 4.550 -0.001 0.000 0.268 173 Y C 1.274 177.107 175.900 -0.111 0.000 1.177 173 Y CA -0.576 57.430 58.100 -0.157 0.000 1.265 173 Y CB -0.452 37.924 38.460 -0.140 0.000 1.103 173 Y HN -0.053 nan 8.280 nan 0.000 0.522 174 K N 1.450 121.833 120.400 -0.028 0.000 2.258 174 K HA 0.159 4.479 4.320 -0.001 0.000 0.264 174 K C -0.046 176.537 176.600 -0.029 0.000 1.007 174 K CA -0.519 55.749 56.287 -0.032 0.000 0.941 174 K CB 0.637 33.101 32.500 -0.060 0.000 0.966 174 K HN 0.118 nan 8.250 nan 0.000 0.480 175 N N 0.306 118.979 118.700 -0.046 0.000 2.514 175 N HA -0.045 4.694 4.740 -0.001 0.000 0.299 175 N C 1.070 176.538 175.510 -0.070 0.000 1.292 175 N CA -0.129 52.898 53.050 -0.038 0.000 0.963 175 N CB -0.195 38.252 38.487 -0.067 0.000 1.124 175 N HN 0.812 nan 8.380 nan 0.000 0.580 176 H N -1.250 117.806 119.070 -0.024 0.000 2.521 176 H HA 0.130 4.685 4.556 -0.001 0.000 0.286 176 H C 0.146 175.457 175.328 -0.030 0.000 1.034 176 H CA 0.062 56.096 56.048 -0.023 0.000 1.278 176 H CB -0.373 29.378 29.762 -0.018 0.000 1.386 176 H HN 0.259 nan 8.280 nan 0.000 0.567 177 L N 2.313 123.210 121.223 -0.544 0.000 2.461 177 L HA 0.095 4.434 4.340 -0.001 0.000 0.272 177 L C 0.244 177.012 176.870 -0.170 0.000 1.197 177 L CA 0.086 54.725 54.840 -0.334 0.000 0.836 177 L CB 0.826 42.663 42.059 -0.370 0.000 1.105 177 L HN 0.088 nan 8.230 nan 0.000 0.477 178 T N 2.336 116.818 114.554 -0.119 0.000 2.749 178 T HA 0.456 4.806 4.350 -0.001 0.000 0.287 178 T C -0.164 174.390 174.700 -0.243 0.000 0.970 178 T CA -0.429 61.576 62.100 -0.158 0.000 0.980 178 T CB 1.432 70.245 68.868 -0.093 0.000 0.924 178 T HN 0.206 nan 8.240 nan 0.000 0.456 179 V N 5.015 124.745 119.914 -0.307 0.000 2.513 179 V HA 0.484 4.604 4.120 -0.001 0.000 0.299 179 V C -0.236 175.581 176.094 -0.462 0.000 1.035 179 V CA -0.908 61.206 62.300 -0.311 0.000 0.889 179 V CB 1.375 33.091 31.823 -0.179 0.000 0.988 179 V HN 0.865 nan 8.190 nan 0.000 0.440 180 H N 3.315 122.164 119.070 -0.368 0.000 2.690 180 H HA 0.560 5.115 4.556 -0.001 0.000 0.368 180 H C -1.669 173.276 175.328 -0.638 0.000 1.150 180 H CA -0.515 55.356 56.048 -0.294 0.000 1.174 180 H CB 2.371 31.978 29.762 -0.257 0.000 1.684 180 H HN 0.496 nan 8.280 nan 0.000 0.538 181 F N 1.110 120.974 119.950 -0.143 0.000 2.507 181 F HA 0.318 4.844 4.527 -0.001 0.000 0.328 181 F C -0.165 175.401 175.800 -0.391 0.000 1.136 181 F CA -0.786 57.063 58.000 -0.252 0.000 0.930 181 F CB 1.844 40.627 39.000 -0.360 0.000 1.166 181 F HN 0.113 nan 8.300 nan 0.000 0.436 182 V N 2.710 122.468 119.914 -0.259 0.000 2.495 182 V HA 0.449 4.569 4.120 -0.001 0.000 0.298 182 V C 0.053 176.044 176.094 -0.172 0.000 1.031 182 V CA -0.132 61.870 62.300 -0.495 0.000 0.871 182 V CB 1.635 33.240 31.823 -0.362 0.000 0.988 182 V HN 0.930 nan 8.190 nan 0.000 0.432 183 S N 2.490 118.197 115.700 0.012 0.000 2.918 183 S HA 0.157 4.627 4.470 -0.001 0.000 0.264 183 S C 0.616 175.312 174.600 0.160 0.000 1.078 183 S CA -0.217 58.055 58.200 0.119 0.000 0.918 183 S CB -0.059 63.212 63.200 0.118 0.000 0.882 183 S HN 0.548 nan 8.310 nan 0.000 0.466 184 N N 2.034 120.928 118.700 0.322 0.000 2.492 184 N HA 0.147 4.886 4.740 -0.001 0.000 0.260 184 N C 0.921 176.485 175.510 0.091 0.000 1.215 184 N CA 0.308 53.431 53.050 0.121 0.000 0.923 184 N CB 1.577 40.064 38.487 -0.001 0.000 1.092 184 N HN 0.148 nan 8.380 nan 0.000 0.448 185 V N 2.120 122.056 119.914 0.037 0.000 2.809 185 V HA -0.115 4.005 4.120 -0.001 0.000 0.256 185 V C 0.422 176.533 176.094 0.029 0.000 1.080 185 V CA 0.803 63.118 62.300 0.026 0.000 1.102 185 V CB -0.647 31.181 31.823 0.009 0.000 0.705 185 V HN 0.721 nan 8.190 nan 0.000 0.475 186 D N 0.548 120.962 120.400 0.022 0.000 2.520 186 D HA 0.038 4.678 4.640 -0.001 0.000 0.243 186 D C 1.421 177.747 176.300 0.044 0.000 1.160 186 D CA 0.952 54.964 54.000 0.020 0.000 0.877 186 D CB 1.245 42.041 40.800 -0.006 0.000 1.150 186 D HN 0.275 nan 8.370 nan 0.000 0.494 187 G N 3.146 111.969 108.800 0.038 0.000 2.501 187 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 187 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 187 G C 1.469 176.396 174.900 0.044 0.000 1.114 187 G CA 1.012 46.135 45.100 0.039 0.000 0.757 187 G HN 0.588 nan 8.290 nan 0.000 0.559 188 T N -0.484 114.098 114.554 0.046 0.000 2.759 188 T HA -0.160 4.189 4.350 -0.001 0.000 0.269 188 T C 1.883 176.642 174.700 0.098 0.000 1.042 188 T CA 1.402 63.532 62.100 0.050 0.000 1.140 188 T CB -0.366 68.518 68.868 0.027 0.000 0.864 188 T HN 0.589 nan 8.240 nan 0.000 0.455 189 H N -0.471 118.587 119.070 -0.020 0.000 2.293 189 H HA -0.078 4.477 4.556 -0.000 0.000 0.300 189 H C 2.384 177.686 175.328 -0.043 0.000 1.082 189 H CA 1.549 57.580 56.048 -0.028 0.000 1.308 189 H CB -0.039 29.706 29.762 -0.028 0.000 1.375 189 H HN 0.178 nan 8.280 nan 0.000 0.495 190 M N 0.619 120.228 119.600 0.014 0.000 2.132 190 M HA -0.034 4.446 4.480 -0.001 0.000 0.263 190 M C 2.396 178.634 176.300 -0.104 0.000 1.065 190 M CA 1.629 56.875 55.300 -0.090 0.000 1.122 190 M CB -0.392 32.164 32.600 -0.074 0.000 1.365 190 M HN 0.294 nan 8.290 nan 0.000 0.411 191 A N -0.052 122.741 122.820 -0.045 0.000 1.883 191 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 191 A C 2.051 179.606 177.584 -0.047 0.000 1.186 191 A CA 1.953 53.963 52.037 -0.045 0.000 0.624 191 A CB -0.847 18.153 19.000 0.001 0.000 0.822 191 A HN 0.576 nan 8.150 nan 0.000 0.444 192 E N -0.511 119.682 120.200 -0.012 0.000 2.150 192 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 192 E C 2.127 178.703 176.600 -0.040 0.000 0.985 192 E CA 1.565 57.965 56.400 0.001 0.000 0.814 192 E CB -0.695 29.032 29.700 0.044 0.000 0.752 192 E HN 0.624 nan 8.360 nan 0.000 0.466 193 T N 1.921 116.419 114.554 -0.093 0.000 2.737 193 T HA -0.052 4.297 4.350 -0.001 0.000 0.265 193 T C 2.124 176.656 174.700 -0.281 0.000 1.038 193 T CA 0.675 62.665 62.100 -0.183 0.000 1.144 193 T CB -0.194 68.531 68.868 -0.237 0.000 0.866 193 T HN 0.095 nan 8.240 nan 0.000 0.434 194 L N 1.353 122.374 121.223 -0.335 0.000 2.131 194 L HA -0.092 4.248 4.340 -0.001 0.000 0.210 194 L C 2.577 179.336 176.870 -0.185 0.000 1.092 194 L CA 1.226 55.747 54.840 -0.532 0.000 0.759 194 L CB -0.582 40.937 42.059 -0.901 0.000 0.903 194 L HN 0.422 nan 8.230 nan 0.000 0.435 195 K N -0.990 119.369 120.400 -0.068 0.000 2.504 195 K HA -0.065 4.254 4.320 -0.001 0.000 0.195 195 K C 0.939 177.566 176.600 0.046 0.000 1.036 195 K CA 0.902 57.216 56.287 0.045 0.000 0.984 195 K CB -0.081 32.446 32.500 0.045 0.000 0.788 195 K HN 0.256 nan 8.250 nan 0.000 0.488 196 N N 1.184 119.876 118.700 -0.012 0.000 2.236 196 N HA 0.044 4.784 4.740 -0.001 0.000 0.196 196 N C -0.024 175.485 175.510 -0.001 0.000 1.114 196 N CA 0.347 53.402 53.050 0.009 0.000 0.859 196 N CB 1.068 39.566 38.487 0.019 0.000 0.982 196 N HN 0.232 nan 8.380 nan 0.000 0.493 197 V N -2.573 117.338 119.914 -0.005 0.000 3.074 197 V HA 0.630 4.749 4.120 -0.001 0.000 0.314 197 V C -1.153 175.126 176.094 0.308 0.000 1.117 197 V CA -1.019 61.312 62.300 0.052 0.000 1.014 197 V CB 2.634 34.367 31.823 -0.150 0.000 1.057 197 V HN -0.248 nan 8.190 nan 0.000 0.438 198 D N 1.874 122.455 120.400 0.302 0.000 2.362 198 D HA 0.503 5.143 4.640 -0.001 0.000 0.247 198 D C -2.147 174.359 176.300 0.343 0.000 1.050 198 D CA -1.753 52.426 54.000 0.299 0.000 0.839 198 D CB 2.323 43.213 40.800 0.151 0.000 1.283 198 D HN 0.313 nan 8.370 nan 0.000 0.477 199 P HA -0.116 nan 4.420 nan 0.000 0.218 199 P C 0.804 178.297 177.300 0.321 0.000 1.148 199 P CA 1.130 64.303 63.100 0.121 0.000 0.822 199 P CB 0.481 31.961 31.700 -0.367 0.000 0.784 200 E N -1.248 119.082 120.200 0.217 0.000 2.274 200 E HA -0.064 4.286 4.350 -0.001 0.000 0.194 200 E C 0.897 177.674 176.600 0.295 0.000 0.996 200 E CA 1.499 57.976 56.400 0.129 0.000 0.840 200 E CB -0.382 29.231 29.700 -0.144 0.000 0.772 200 E HN 0.380 nan 8.360 nan 0.000 0.491 201 T N -2.284 112.433 114.554 0.271 0.000 3.231 201 T HA 0.161 4.510 4.350 -0.001 0.000 0.292 201 T C 0.169 174.987 174.700 0.196 0.000 1.001 201 T CA -0.501 61.734 62.100 0.225 0.000 0.920 201 T CB 0.658 69.601 68.868 0.126 0.000 1.140 201 T HN -0.224 nan 8.240 nan 0.000 0.525 202 T N 2.829 117.542 114.554 0.264 0.000 2.807 202 T HA 0.673 5.023 4.350 -0.001 0.000 0.279 202 T C -1.178 173.525 174.700 0.005 0.000 0.993 202 T CA -0.647 61.471 62.100 0.029 0.000 0.970 202 T CB 1.919 70.737 68.868 -0.082 0.000 0.950 202 T HN 0.266 nan 8.240 nan 0.000 0.441 203 L N 3.919 125.002 121.223 -0.234 0.000 2.313 203 L HA 0.693 5.033 4.340 -0.001 0.000 0.283 203 L C -1.586 174.996 176.870 -0.481 0.000 1.013 203 L CA -0.570 54.121 54.840 -0.249 0.000 0.816 203 L CB 0.265 42.191 42.059 -0.222 0.000 1.236 203 L HN 0.518 nan 8.230 nan 0.000 0.419 204 F N 5.301 125.015 119.950 -0.393 0.000 2.421 204 F HA 0.551 5.078 4.527 -0.001 0.000 0.337 204 F C -0.229 175.446 175.800 -0.207 0.000 1.105 204 F CA -0.538 57.231 58.000 -0.386 0.000 1.049 204 F CB 1.361 39.964 39.000 -0.661 0.000 1.139 204 F HN 0.224 nan 8.300 nan 0.000 0.479 205 L N 4.281 125.510 121.223 0.010 0.000 2.305 205 L HA 0.531 4.871 4.340 -0.001 0.000 0.284 205 L C -0.881 176.012 176.870 0.040 0.000 1.013 205 L CA -0.975 53.870 54.840 0.008 0.000 0.819 205 L CB 1.511 43.521 42.059 -0.082 0.000 1.227 205 L HN 0.281 nan 8.230 nan 0.000 0.417 206 V N 3.000 122.962 119.914 0.080 0.000 2.318 206 V HA 0.421 4.541 4.120 -0.001 0.000 0.271 206 V C 0.557 176.707 176.094 0.092 0.000 1.030 206 V CA -0.415 61.900 62.300 0.024 0.000 0.844 206 V CB 1.187 32.958 31.823 -0.087 0.000 1.015 206 V HN 0.832 nan 8.190 nan 0.000 0.460 207 A N 4.078 126.915 122.820 0.028 0.000 2.341 207 A HA 0.735 5.055 4.320 -0.001 0.000 0.326 207 A C 0.165 177.791 177.584 0.071 0.000 1.402 207 A CA -0.216 51.858 52.037 0.062 0.000 0.957 207 A CB 0.633 19.636 19.000 0.005 0.000 1.151 207 A HN 0.827 nan 8.150 nan 0.000 0.533 208 S N 2.200 118.002 115.700 0.169 0.000 2.599 208 S HA 0.245 4.715 4.470 -0.001 0.000 0.269 208 S C 0.552 175.284 174.600 0.220 0.000 1.135 208 S CA -0.507 57.779 58.200 0.143 0.000 1.027 208 S CB 0.958 64.150 63.200 -0.014 0.000 1.129 208 S HN 0.740 nan 8.310 nan 0.000 0.458 209 K N 2.272 122.781 120.400 0.183 0.000 2.032 209 K HA -0.123 4.196 4.320 -0.001 0.000 0.209 209 K C 1.876 178.441 176.600 -0.059 0.000 1.048 209 K CA 2.456 58.701 56.287 -0.070 0.000 0.927 209 K CB -0.420 31.940 32.500 -0.233 0.000 0.712 209 K HN 0.793 nan 8.250 nan 0.000 0.441 210 T N -2.700 111.861 114.554 0.011 0.000 3.023 210 T HA -0.079 4.270 4.350 -0.001 0.000 0.266 210 T C 0.858 175.644 174.700 0.143 0.000 1.093 210 T CA 0.551 62.669 62.100 0.030 0.000 1.129 210 T CB -0.279 68.599 68.868 0.016 0.000 0.899 210 T HN 0.327 nan 8.240 nan 0.000 0.491 211 F N 2.059 121.975 119.950 -0.056 0.000 3.034 211 F HA -0.268 4.259 4.527 -0.000 0.000 0.286 211 F C 1.071 176.861 175.800 -0.017 0.000 0.804 211 F CA 1.064 59.031 58.000 -0.055 0.000 1.161 211 F CB -1.823 37.133 39.000 -0.072 0.000 1.317 211 F HN 0.543 nan 8.300 nan 0.000 0.453 212 T N -4.731 109.832 114.554 0.016 0.000 3.058 212 T HA 0.209 4.558 4.350 -0.001 0.000 0.278 212 T C 0.566 175.251 174.700 -0.025 0.000 0.974 212 T CA 0.525 62.627 62.100 0.003 0.000 0.893 212 T CB -0.019 68.871 68.868 0.036 0.000 1.138 212 T HN 0.134 nan 8.240 nan 0.000 0.529 213 T N 3.268 117.792 114.554 -0.049 0.000 2.822 213 T HA 0.015 4.365 4.350 -0.001 0.000 0.288 213 T C 1.315 175.988 174.700 -0.044 0.000 0.991 213 T CA 0.197 62.272 62.100 -0.042 0.000 1.176 213 T CB 1.190 70.029 68.868 -0.050 0.000 0.951 213 T HN 0.472 nan 8.240 nan 0.000 0.526 214 Q N 2.719 122.506 119.800 -0.022 0.000 2.045 214 Q HA -0.239 4.101 4.340 -0.001 0.000 0.206 214 Q C 1.710 177.702 176.000 -0.014 0.000 0.991 214 Q CA 2.038 57.834 55.803 -0.012 0.000 0.851 214 Q CB 0.048 28.783 28.738 -0.005 0.000 0.911 214 Q HN 0.737 nan 8.270 nan 0.000 0.418 215 E N -0.296 119.893 120.200 -0.018 0.000 2.028 215 E HA -0.130 4.220 4.350 -0.001 0.000 0.191 215 E C 2.075 178.659 176.600 -0.026 0.000 0.988 215 E CA 1.908 58.300 56.400 -0.013 0.000 0.799 215 E CB -0.418 29.276 29.700 -0.010 0.000 0.755 215 E HN 0.339 nan 8.360 nan 0.000 0.447 216 T N 0.895 115.417 114.554 -0.053 0.000 2.746 216 T HA -0.129 4.221 4.350 -0.001 0.000 0.267 216 T C 1.630 176.249 174.700 -0.134 0.000 1.039 216 T CA 1.307 63.352 62.100 -0.092 0.000 1.142 216 T CB -0.091 68.708 68.868 -0.116 0.000 0.866 216 T HN 0.051 nan 8.240 nan 0.000 0.444 217 M N 1.162 120.682 119.600 -0.133 0.000 2.254 217 M HA 0.023 4.503 4.480 -0.001 0.000 0.265 217 M C 2.491 178.831 176.300 0.067 0.000 1.066 217 M CA 1.176 56.408 55.300 -0.113 0.000 1.123 217 M CB -1.881 30.675 32.600 -0.073 0.000 1.388 217 M HN 0.193 nan 8.290 nan 0.000 0.425 218 T N 1.366 115.953 114.554 0.055 0.000 2.708 218 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 218 T C 1.776 176.515 174.700 0.064 0.000 1.037 218 T CA 1.412 63.559 62.100 0.079 0.000 1.146 218 T CB -0.257 68.634 68.868 0.039 0.000 0.865 218 T HN 0.319 nan 8.240 nan 0.000 0.435 219 N N 1.334 120.042 118.700 0.014 0.000 2.104 219 N HA -0.039 4.701 4.740 -0.001 0.000 0.190 219 N C 2.148 177.650 175.510 -0.014 0.000 1.024 219 N CA 1.402 54.448 53.050 -0.006 0.000 0.853 219 N CB -0.554 37.916 38.487 -0.028 0.000 1.008 219 N HN 0.427 nan 8.380 nan 0.000 0.424 220 A N 1.203 123.996 122.820 -0.046 0.000 1.902 220 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 220 A C 1.910 179.521 177.584 0.045 0.000 1.181 220 A CA 1.216 53.227 52.037 -0.044 0.000 0.623 220 A CB -0.739 18.098 19.000 -0.272 0.000 0.818 220 A HN 0.361 nan 8.150 nan 0.000 0.443 221 H N -0.543 118.603 119.070 0.127 0.000 2.389 221 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 221 H C 2.273 177.612 175.328 0.017 0.000 1.081 221 H CA 1.809 57.889 56.048 0.052 0.000 1.345 221 H CB -0.492 29.283 29.762 0.021 0.000 1.393 221 H HN 0.453 nan 8.280 nan 0.000 0.520 222 T N 0.852 115.480 114.554 0.124 0.000 2.746 222 T HA -0.100 4.250 4.350 -0.001 0.000 0.267 222 T C 2.312 177.063 174.700 0.085 0.000 1.039 222 T CA 1.206 63.356 62.100 0.084 0.000 1.142 222 T CB -0.319 68.576 68.868 0.044 0.000 0.866 222 T HN 0.439 nan 8.240 nan 0.000 0.444 223 A N 1.443 124.267 122.820 0.007 0.000 1.933 223 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 223 A C 2.293 180.000 177.584 0.205 0.000 1.175 223 A CA 1.639 53.627 52.037 -0.081 0.000 0.628 223 A CB -0.541 18.113 19.000 -0.577 0.000 0.814 223 A HN 0.395 nan 8.150 nan 0.000 0.444 224 R N -0.446 120.126 120.500 0.120 0.000 2.075 224 R HA -0.147 4.192 4.340 -0.001 0.000 0.232 224 R C 1.379 177.759 176.300 0.134 0.000 1.126 224 R CA 1.671 57.770 56.100 -0.001 0.000 0.963 224 R CB -0.286 29.717 30.300 -0.494 0.000 0.858 224 R HN 0.447 nan 8.270 nan 0.000 0.435 225 D N -0.446 120.025 120.400 0.119 0.000 2.097 225 D HA -0.218 4.421 4.640 -0.001 0.000 0.195 225 D C 1.379 177.788 176.300 0.181 0.000 0.989 225 D CA 1.194 55.260 54.000 0.110 0.000 0.827 225 D CB -0.494 40.365 40.800 0.099 0.000 0.966 225 D HN 0.388 nan 8.370 nan 0.000 0.456 226 W N 0.761 122.096 121.300 0.058 0.000 2.358 226 W HA -0.241 4.419 4.660 -0.001 0.000 0.303 226 W C 2.119 178.698 176.519 0.101 0.000 1.208 226 W CA 1.163 58.554 57.345 0.076 0.000 1.274 226 W CB -0.620 28.901 29.460 0.101 0.000 1.138 226 W HN -0.051 nan 8.180 nan 0.000 0.515 227 F N 0.916 121.005 119.950 0.232 0.000 2.102 227 F HA -0.185 4.342 4.527 -0.001 0.000 0.298 227 F C 2.032 177.720 175.800 -0.187 0.000 1.105 227 F CA 2.216 60.206 58.000 -0.016 0.000 1.239 227 F CB -0.800 38.414 39.000 0.357 0.000 0.991 227 F HN -0.155 nan 8.300 nan 0.000 0.474 228 L N 0.043 121.166 121.223 -0.168 0.000 2.201 228 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 228 L C 2.290 178.975 176.870 -0.309 0.000 1.105 228 L CA 1.150 55.812 54.840 -0.297 0.000 0.775 228 L CB -0.623 41.380 42.059 -0.093 0.000 0.913 228 L HN 0.111 nan 8.230 nan 0.000 0.440 229 K N 0.122 120.376 120.400 -0.244 0.000 2.152 229 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 229 K C 2.152 178.582 176.600 -0.284 0.000 1.048 229 K CA 1.454 57.615 56.287 -0.211 0.000 0.933 229 K CB -0.168 32.238 32.500 -0.156 0.000 0.721 229 K HN 0.312 nan 8.250 nan 0.000 0.447 230 A N 0.695 123.251 122.820 -0.439 0.000 1.911 230 A HA 0.160 4.480 4.320 -0.001 0.000 0.212 230 A C 2.208 179.515 177.584 -0.462 0.000 1.189 230 A CA 1.102 52.894 52.037 -0.409 0.000 0.639 230 A CB -0.289 18.433 19.000 -0.463 0.000 0.839 230 A HN 0.262 nan 8.150 nan 0.000 0.449 231 A N -1.882 120.393 122.820 -0.909 0.000 1.984 231 A HA 0.403 4.723 4.320 -0.001 0.000 0.214 231 A C 2.168 179.461 177.584 -0.486 0.000 1.173 231 A CA 1.505 52.807 52.037 -1.224 0.000 0.673 231 A CB -0.811 16.907 19.000 -2.136 0.000 0.830 231 A HN 1.792 nan 8.150 nan 0.000 0.453 232 G N -0.265 108.318 108.800 -0.362 0.000 5.155 232 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.239 232 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.239 232 G C 0.274 175.098 174.900 -0.127 0.000 1.409 232 G CA 0.446 45.440 45.100 -0.176 0.000 0.927 232 G HN 0.652 nan 8.290 nan 0.000 0.710 233 D N 2.055 122.403 120.400 -0.087 0.000 2.371 233 D HA 0.328 4.968 4.640 -0.001 0.000 0.256 233 D C 1.519 177.736 176.300 -0.138 0.000 1.193 233 D CA 0.101 54.012 54.000 -0.148 0.000 0.881 233 D CB 0.816 41.444 40.800 -0.287 0.000 1.143 233 D HN 0.551 nan 8.370 nan 0.000 0.473 234 E N 2.431 122.575 120.200 -0.094 0.000 2.219 234 E HA -0.232 4.117 4.350 -0.001 0.000 0.198 234 E C 1.696 178.285 176.600 -0.018 0.000 0.998 234 E CA 0.922 57.297 56.400 -0.041 0.000 0.818 234 E CB 0.112 29.774 29.700 -0.062 0.000 0.741 234 E HN 0.617 nan 8.360 nan 0.000 0.477 235 A N 0.996 123.751 122.820 -0.109 0.000 2.024 235 A HA -0.212 4.107 4.320 -0.001 0.000 0.220 235 A C 1.586 179.191 177.584 0.035 0.000 1.164 235 A CA 1.342 53.327 52.037 -0.087 0.000 0.643 235 A CB -0.597 18.295 19.000 -0.180 0.000 0.806 235 A HN 0.285 nan 8.150 nan 0.000 0.451 236 H N -0.837 118.345 119.070 0.186 0.000 2.524 236 H HA 0.012 4.568 4.556 -0.001 0.000 0.282 236 H C 2.140 177.762 175.328 0.490 0.000 1.016 236 H CA 1.097 57.354 56.048 0.348 0.000 1.270 236 H CB -0.512 29.413 29.762 0.272 0.000 1.394 236 H HN 0.305 nan 8.280 nan 0.000 0.568 237 V N 1.247 121.441 119.914 0.466 0.000 2.380 237 V HA -0.278 3.841 4.120 -0.001 0.000 0.251 237 V C 2.719 179.051 176.094 0.397 0.000 1.063 237 V CA 1.633 64.124 62.300 0.319 0.000 1.055 237 V CB -0.984 30.882 31.823 0.072 0.000 0.657 237 V HN 0.478 nan 8.190 nan 0.000 0.455 238 A N -0.611 122.403 122.820 0.324 0.000 2.070 238 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 238 A C 2.182 179.995 177.584 0.382 0.000 1.159 238 A CA 1.641 53.866 52.037 0.313 0.000 0.656 238 A CB -0.365 18.756 19.000 0.201 0.000 0.800 238 A HN 0.593 nan 8.150 nan 0.000 0.453 239 K N -1.436 119.184 120.400 0.366 0.000 2.393 239 K HA 0.085 4.404 4.320 -0.001 0.000 0.193 239 K C 0.543 177.275 176.600 0.220 0.000 1.026 239 K CA 0.498 56.936 56.287 0.251 0.000 1.064 239 K CB 0.115 32.668 32.500 0.088 0.000 0.833 239 K HN 0.604 nan 8.250 nan 0.000 0.521 240 H N -1.552 117.762 119.070 0.406 0.000 3.233 240 H HA 0.198 4.754 4.556 -0.001 0.000 0.263 240 H C -0.714 174.597 175.328 -0.028 0.000 1.168 240 H CA -0.001 56.138 56.048 0.153 0.000 1.159 240 H CB 0.686 30.298 29.762 -0.250 0.000 1.593 240 H HN -0.051 nan 8.280 nan 0.000 0.580 241 F N 0.813 120.942 119.950 0.299 0.000 2.569 241 F HA 0.618 5.145 4.527 -0.001 0.000 0.312 241 F C -0.108 175.819 175.800 0.212 0.000 1.109 241 F CA -0.916 57.245 58.000 0.268 0.000 0.919 241 F CB 2.039 41.214 39.000 0.291 0.000 1.211 241 F HN -0.057 nan 8.300 nan 0.000 0.446 242 A N 1.699 124.683 122.820 0.274 0.000 2.479 242 A HA 0.984 5.304 4.320 -0.001 0.000 0.296 242 A C -1.566 176.091 177.584 0.122 0.000 1.121 242 A CA -0.719 51.405 52.037 0.146 0.000 0.743 242 A CB 1.553 20.572 19.000 0.031 0.000 1.323 242 A HN 1.011 nan 8.150 nan 0.000 0.415 243 A N 0.485 123.343 122.820 0.063 0.000 2.371 243 A HA 0.699 5.019 4.320 -0.001 0.000 0.311 243 A C -1.113 176.536 177.584 0.109 0.000 1.068 243 A CA -0.428 51.645 52.037 0.060 0.000 0.744 243 A CB 0.800 19.664 19.000 -0.228 0.000 1.239 243 A HN 0.836 nan 8.150 nan 0.000 0.435 244 L N 2.311 123.627 121.223 0.156 0.000 2.313 244 L HA 0.665 5.004 4.340 -0.001 0.000 0.273 244 L C 0.163 177.208 176.870 0.292 0.000 1.028 244 L CA -0.155 54.804 54.840 0.199 0.000 0.871 244 L CB 0.575 42.688 42.059 0.090 0.000 1.242 244 L HN 0.686 nan 8.230 nan 0.000 0.434 245 S N 0.315 116.098 115.700 0.138 0.000 2.636 245 S HA 0.439 4.909 4.470 -0.001 0.000 0.266 245 S C 0.281 174.724 174.600 -0.262 0.000 1.147 245 S CA 0.201 58.374 58.200 -0.046 0.000 0.815 245 S CB 1.771 64.929 63.200 -0.070 0.000 1.119 245 S HN 0.620 nan 8.310 nan 0.000 0.470 246 T N -0.558 113.796 114.554 -0.333 0.000 3.040 246 T HA 0.313 4.662 4.350 -0.001 0.000 0.266 246 T C 0.170 174.731 174.700 -0.231 0.000 1.005 246 T CA -0.111 61.794 62.100 -0.325 0.000 0.906 246 T CB -0.298 68.328 68.868 -0.403 0.000 1.082 246 T HN 0.351 nan 8.240 nan 0.000 0.531 247 N N 1.936 120.511 118.700 -0.208 0.000 3.034 247 N HA 0.319 5.059 4.740 -0.001 0.000 0.265 247 N C 1.507 176.888 175.510 -0.215 0.000 1.166 247 N CA -0.090 52.867 53.050 -0.156 0.000 1.081 247 N CB 0.367 38.820 38.487 -0.057 0.000 1.378 247 N HN 0.401 nan 8.380 nan 0.000 0.520 248 G N 1.915 110.603 108.800 -0.186 0.000 2.442 248 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.219 248 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.219 248 G C 1.416 176.234 174.900 -0.138 0.000 1.141 248 G CA 0.692 45.683 45.100 -0.182 0.000 0.763 248 G HN 0.545 nan 8.290 nan 0.000 0.554 249 K N 0.500 120.847 120.400 -0.088 0.000 2.002 249 K HA 0.037 4.356 4.320 -0.001 0.000 0.209 249 K C 2.802 179.388 176.600 -0.023 0.000 1.048 249 K CA 1.358 57.619 56.287 -0.044 0.000 0.930 249 K CB -0.341 32.146 32.500 -0.021 0.000 0.714 249 K HN 0.199 nan 8.250 nan 0.000 0.438 250 A N 0.538 123.350 122.820 -0.013 0.000 1.930 250 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 250 A C 2.220 179.825 177.584 0.035 0.000 1.175 250 A CA 1.413 53.503 52.037 0.088 0.000 0.627 250 A CB -0.512 18.612 19.000 0.206 0.000 0.815 250 A HN 0.189 nan 8.150 nan 0.000 0.443 251 V N -0.133 119.591 119.914 -0.316 0.000 2.295 251 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 251 V C 3.061 179.091 176.094 -0.108 0.000 1.049 251 V CA 1.979 63.965 62.300 -0.523 0.000 1.024 251 V CB -1.175 30.221 31.823 -0.712 0.000 0.648 251 V HN 0.608 nan 8.190 nan 0.000 0.447 252 A N -0.130 122.644 122.820 -0.076 0.000 1.902 252 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 252 A C 2.179 179.793 177.584 0.050 0.000 1.181 252 A CA 1.990 54.022 52.037 -0.008 0.000 0.623 252 A CB -0.526 18.458 19.000 -0.027 0.000 0.818 252 A HN 0.554 nan 8.150 nan 0.000 0.443 253 E N -0.692 119.550 120.200 0.070 0.000 2.118 253 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 253 E C 1.562 178.244 176.600 0.136 0.000 0.992 253 E CA 1.360 57.815 56.400 0.092 0.000 0.804 253 E CB -0.507 29.255 29.700 0.103 0.000 0.741 253 E HN 0.589 nan 8.360 nan 0.000 0.458 254 F N -0.654 119.331 119.950 0.057 0.000 2.293 254 F HA 0.036 4.562 4.527 -0.001 0.000 0.300 254 F C 1.533 177.315 175.800 -0.031 0.000 1.086 254 F CA 1.763 59.791 58.000 0.047 0.000 1.375 254 F CB 0.276 39.362 39.000 0.144 0.000 1.045 254 F HN 0.195 nan 8.300 nan 0.000 0.516 255 G N 0.511 109.402 108.800 0.152 0.000 2.175 255 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.182 255 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.182 255 G C 0.179 175.175 174.900 0.160 0.000 1.003 255 G CA -0.056 45.093 45.100 0.080 0.000 0.666 255 G HN 0.284 nan 8.290 nan 0.000 0.506 256 I N 1.560 122.258 120.570 0.213 0.000 2.519 256 I HA 0.265 4.434 4.170 -0.001 0.000 0.287 256 I C 0.230 176.399 176.117 0.087 0.000 1.047 256 I CA -0.605 60.804 61.300 0.181 0.000 1.381 256 I CB 1.006 39.086 38.000 0.132 0.000 1.417 256 I HN 0.058 nan 8.210 nan 0.000 0.540 257 D N 4.188 124.651 120.400 0.104 0.000 2.343 257 D HA -0.008 4.632 4.640 -0.001 0.000 0.255 257 D C 1.276 177.563 176.300 -0.023 0.000 1.187 257 D CA -0.127 53.905 54.000 0.054 0.000 0.875 257 D CB 1.311 42.172 40.800 0.102 0.000 1.136 257 D HN 0.687 nan 8.370 nan 0.000 0.469 258 T N 0.649 115.162 114.554 -0.068 0.000 3.025 258 T HA -0.156 4.194 4.350 -0.001 0.000 0.270 258 T C 1.044 175.631 174.700 -0.189 0.000 1.126 258 T CA 0.607 62.621 62.100 -0.143 0.000 1.105 258 T CB 0.033 68.821 68.868 -0.134 0.000 0.884 258 T HN 0.255 nan 8.240 nan 0.000 0.522 259 D N 2.371 122.694 120.400 -0.129 0.000 2.263 259 D HA -0.049 4.591 4.640 -0.001 0.000 0.208 259 D C 1.064 177.165 176.300 -0.332 0.000 0.971 259 D CA 0.915 54.822 54.000 -0.155 0.000 0.867 259 D CB -0.450 40.332 40.800 -0.031 0.000 0.929 259 D HN 0.665 nan 8.370 nan 0.000 0.492 260 N N -0.446 118.071 118.700 -0.304 0.000 2.320 260 N HA 0.133 4.872 4.740 -0.001 0.000 0.237 260 N C -0.050 175.104 175.510 -0.593 0.000 1.129 260 N CA -0.166 52.585 53.050 -0.499 0.000 0.854 260 N CB 0.500 38.943 38.487 -0.073 0.000 1.083 260 N HN 0.076 nan 8.380 nan 0.000 0.504 261 M N 1.394 120.606 119.600 -0.646 0.000 2.149 261 M HA 0.378 4.858 4.480 -0.001 0.000 0.342 261 M C -1.558 174.349 176.300 -0.655 0.000 1.068 261 M CA -0.602 54.417 55.300 -0.468 0.000 0.991 261 M CB 0.625 33.020 32.600 -0.342 0.000 1.596 261 M HN -0.090 nan 8.290 nan 0.000 0.439 262 F N 3.794 123.637 119.950 -0.179 0.000 2.426 262 F HA 0.349 4.875 4.527 -0.001 0.000 0.348 262 F C 0.354 176.088 175.800 -0.110 0.000 1.124 262 F CA -0.706 57.208 58.000 -0.144 0.000 1.008 262 F CB 1.110 40.013 39.000 -0.161 0.000 1.139 262 F HN 0.537 nan 8.300 nan 0.000 0.452 263 E N 3.770 123.930 120.200 -0.068 0.000 2.283 263 E HA 0.717 5.066 4.350 -0.001 0.000 0.267 263 E C -1.117 175.172 176.600 -0.519 0.000 1.045 263 E CA -0.559 55.657 56.400 -0.305 0.000 0.884 263 E CB 1.739 31.193 29.700 -0.410 0.000 1.106 263 E HN 0.527 nan 8.360 nan 0.000 0.408 264 F N -2.060 117.249 119.950 -1.069 0.000 2.754 264 F HA 0.681 5.208 4.527 -0.001 0.000 0.320 264 F C -1.175 173.748 175.800 -1.461 0.000 1.156 264 F CA -1.324 55.810 58.000 -1.444 0.000 0.950 264 F CB 1.197 39.850 39.000 -0.577 0.000 1.388 264 F HN 0.366 nan 8.300 nan 0.000 0.485 265 W N 0.414 121.460 121.300 -0.424 0.000 2.929 265 W HA 0.269 4.929 4.660 -0.001 0.000 0.345 265 W C -0.143 176.028 176.519 -0.580 0.000 1.151 265 W CA -0.397 56.517 57.345 -0.720 0.000 1.111 265 W CB 1.131 29.737 29.460 -1.423 0.000 1.449 265 W HN 0.528 nan 8.180 nan 0.000 0.572 266 D N 0.383 120.647 120.400 -0.226 0.000 2.263 266 D HA -0.129 4.511 4.640 -0.001 0.000 0.208 266 D C 1.890 178.237 176.300 0.078 0.000 0.971 266 D CA 1.330 55.297 54.000 -0.056 0.000 0.867 266 D CB -0.054 40.762 40.800 0.026 0.000 0.929 266 D HN 0.439 nan 8.370 nan 0.000 0.492 267 W N 0.386 121.811 121.300 0.207 0.000 3.292 267 W HA 0.240 4.900 4.660 -0.001 0.000 0.263 267 W C -0.446 176.191 176.519 0.198 0.000 1.318 267 W CA -0.224 57.208 57.345 0.145 0.000 1.663 267 W CB -0.393 29.110 29.460 0.072 0.000 1.114 267 W HN -0.290 nan 8.180 nan 0.000 0.706 268 V N 2.593 122.679 119.914 0.287 0.000 2.318 268 V HA 0.463 4.583 4.120 -0.001 0.000 0.271 268 V C 0.933 177.226 176.094 0.332 0.000 1.030 268 V CA -0.626 61.897 62.300 0.372 0.000 0.844 268 V CB 0.357 32.387 31.823 0.344 0.000 1.015 268 V HN 0.127 nan 8.190 nan 0.000 0.460 269 G N 3.126 112.149 108.800 0.372 0.000 2.483 269 G HA2 0.405 4.365 3.960 -0.001 0.000 0.248 269 G HA3 0.405 4.365 3.960 -0.001 0.000 0.248 269 G C 1.121 176.189 174.900 0.279 0.000 1.248 269 G CA 0.188 45.496 45.100 0.348 0.000 0.838 269 G HN 0.866 nan 8.290 nan 0.000 0.566 270 G N 1.541 110.444 108.800 0.172 0.000 2.469 270 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 270 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 270 G C 1.670 176.561 174.900 -0.014 0.000 1.150 270 G CA 0.949 46.092 45.100 0.072 0.000 0.763 270 G HN 0.784 nan 8.290 nan 0.000 0.561 271 R N -0.993 119.462 120.500 -0.074 0.000 2.323 271 R HA 0.137 4.477 4.340 -0.001 0.000 0.198 271 R C 0.369 176.361 176.300 -0.513 0.000 0.988 271 R CA 0.545 56.440 56.100 -0.341 0.000 1.041 271 R CB -0.253 29.774 30.300 -0.455 0.000 0.926 271 R HN 0.440 nan 8.270 nan 0.000 0.476 272 Y N 0.456 120.775 120.300 0.031 0.000 2.715 272 Y HA 0.201 4.750 4.550 -0.001 0.000 0.255 272 Y C 1.204 177.247 175.900 0.239 0.000 1.139 272 Y CA -0.389 57.771 58.100 0.100 0.000 1.151 272 Y CB 1.224 39.593 38.460 -0.151 0.000 1.201 272 Y HN 0.193 nan 8.280 nan 0.000 0.556 273 S N -0.766 115.035 115.700 0.168 0.000 2.540 273 S HA -0.011 4.458 4.470 -0.001 0.000 0.218 273 S C 1.617 176.185 174.600 -0.053 0.000 0.977 273 S CA 0.048 58.294 58.200 0.077 0.000 0.918 273 S CB -0.541 62.598 63.200 -0.101 0.000 0.806 273 S HN 0.433 nan 8.310 nan 0.000 0.496 274 L N -1.550 119.546 121.223 -0.211 0.000 2.265 274 L HA 0.295 4.634 4.340 -0.001 0.000 0.215 274 L C 1.764 178.527 176.870 -0.178 0.000 1.117 274 L CA 0.937 55.584 54.840 -0.320 0.000 0.782 274 L CB -1.486 40.251 42.059 -0.536 0.000 0.914 274 L HN 0.359 nan 8.230 nan 0.000 0.441 275 W N 0.782 122.184 121.300 0.170 0.000 2.800 275 W HA 0.214 4.874 4.660 -0.001 0.000 0.249 275 W C 1.791 178.511 176.519 0.336 0.000 1.294 275 W CA 0.322 57.800 57.345 0.222 0.000 1.402 275 W CB -0.588 28.972 29.460 0.167 0.000 1.126 275 W HN 0.360 nan 8.180 nan 0.000 0.652 276 S N 0.176 116.102 115.700 0.377 0.000 2.590 276 S HA 0.659 5.129 4.470 -0.001 0.000 0.282 276 S C 1.620 176.269 174.600 0.081 0.000 1.136 276 S CA -0.114 58.243 58.200 0.262 0.000 1.030 276 S CB 0.575 63.840 63.200 0.107 0.000 1.195 276 S HN 0.017 nan 8.310 nan 0.000 0.506 277 A N 0.308 123.115 122.820 -0.021 0.000 2.032 277 A HA -0.054 4.265 4.320 -0.001 0.000 0.221 277 A C 2.054 179.494 177.584 -0.241 0.000 1.165 277 A CA 1.446 53.420 52.037 -0.105 0.000 0.645 277 A CB -1.188 17.826 19.000 0.024 0.000 0.807 277 A HN 0.721 nan 8.150 nan 0.000 0.453 278 I N -0.074 120.271 120.570 -0.374 0.000 2.423 278 I HA -0.204 3.966 4.170 -0.001 0.000 0.254 278 I C 2.332 178.323 176.117 -0.211 0.000 1.151 278 I CA 1.476 62.571 61.300 -0.341 0.000 1.421 278 I CB -1.662 36.072 38.000 -0.442 0.000 1.079 278 I HN 0.382 nan 8.210 nan 0.000 0.431 279 G N 0.261 108.952 108.800 -0.183 0.000 2.956 279 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.207 279 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.207 279 G C 1.571 176.235 174.900 -0.393 0.000 1.162 279 G CA -0.157 44.825 45.100 -0.198 0.000 0.796 279 G HN 0.270 nan 8.290 nan 0.000 0.527 280 L N 2.096 123.095 121.223 -0.372 0.000 2.081 280 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 280 L C 3.008 179.701 176.870 -0.294 0.000 1.080 280 L CA 2.537 57.128 54.840 -0.416 0.000 0.754 280 L CB -0.641 41.119 42.059 -0.498 0.000 0.893 280 L HN 0.314 nan 8.230 nan 0.000 0.433 281 S N -1.081 114.503 115.700 -0.194 0.000 2.399 281 S HA -0.186 4.283 4.470 -0.001 0.000 0.231 281 S C 2.036 176.598 174.600 -0.063 0.000 1.022 281 S CA 1.493 59.621 58.200 -0.120 0.000 0.983 281 S CB -0.985 62.182 63.200 -0.054 0.000 0.803 281 S HN 0.541 nan 8.310 nan 0.000 0.480 282 I N 1.439 121.963 120.570 -0.076 0.000 2.202 282 I HA -0.121 4.049 4.170 -0.001 0.000 0.242 282 I C 2.438 178.501 176.117 -0.090 0.000 1.091 282 I CA 1.332 62.608 61.300 -0.039 0.000 1.368 282 I CB -0.457 37.563 38.000 0.034 0.000 1.058 282 I HN 0.257 nan 8.210 nan 0.000 0.410 283 I N 0.588 121.005 120.570 -0.256 0.000 2.208 283 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 283 I C 2.438 178.486 176.117 -0.114 0.000 1.097 283 I CA 1.560 62.742 61.300 -0.198 0.000 1.363 283 I CB -0.295 37.517 38.000 -0.313 0.000 1.051 283 I HN 0.213 nan 8.210 nan 0.000 0.413 284 L N -0.495 120.638 121.223 -0.150 0.000 2.141 284 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 284 L C 2.659 179.446 176.870 -0.137 0.000 1.094 284 L CA 1.193 55.941 54.840 -0.153 0.000 0.763 284 L CB -0.467 41.481 42.059 -0.185 0.000 0.908 284 L HN 0.227 nan 8.230 nan 0.000 0.437 285 S N 0.259 115.900 115.700 -0.099 0.000 2.377 285 S HA -0.032 4.437 4.470 -0.001 0.000 0.223 285 S C 1.661 176.228 174.600 -0.055 0.000 1.030 285 S CA 0.955 59.107 58.200 -0.080 0.000 0.970 285 S CB 0.081 63.266 63.200 -0.025 0.000 0.830 285 S HN 0.515 nan 8.310 nan 0.000 0.473 286 I N -2.463 118.093 120.570 -0.023 0.000 4.154 286 I HA 0.537 4.707 4.170 -0.001 0.000 0.334 286 I C 0.655 176.793 176.117 0.034 0.000 1.371 286 I CA 0.010 61.320 61.300 0.015 0.000 1.110 286 I CB 0.196 38.212 38.000 0.027 0.000 1.085 286 I HN 0.330 nan 8.210 nan 0.000 0.398 287 G N 1.501 110.315 108.800 0.023 0.000 2.712 287 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.686 287 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.686 287 G C -0.275 174.698 174.900 0.122 0.000 1.321 287 G CA 0.128 45.267 45.100 0.065 0.000 0.813 287 G HN 0.343 nan 8.290 nan 0.000 0.599 288 Y N 0.660 120.983 120.300 0.040 0.000 2.181 288 Y HA -0.082 4.468 4.550 -0.001 0.000 0.288 288 Y C 2.548 178.532 175.900 0.140 0.000 1.146 288 Y CA 2.672 60.827 58.100 0.092 0.000 1.164 288 Y CB 0.008 38.509 38.460 0.067 0.000 0.982 288 Y HN 0.596 nan 8.280 nan 0.000 0.515 289 D N -0.138 120.323 120.400 0.101 0.000 2.123 289 D HA -0.200 4.439 4.640 -0.001 0.000 0.196 289 D C 1.732 178.005 176.300 -0.045 0.000 0.992 289 D CA 1.385 55.393 54.000 0.014 0.000 0.833 289 D CB -0.387 40.463 40.800 0.082 0.000 0.954 289 D HN 0.411 nan 8.370 nan 0.000 0.455 290 N N -0.009 118.685 118.700 -0.011 0.000 2.244 290 N HA -0.124 4.616 4.740 -0.001 0.000 0.183 290 N C 1.671 177.146 175.510 -0.058 0.000 1.016 290 N CA 0.245 53.259 53.050 -0.060 0.000 0.866 290 N CB -0.432 38.017 38.487 -0.064 0.000 0.980 290 N HN 0.181 nan 8.380 nan 0.000 0.430 291 F N 1.758 121.602 119.950 -0.176 0.000 2.171 291 F HA -0.112 4.415 4.527 -0.001 0.000 0.300 291 F C 2.123 177.810 175.800 -0.189 0.000 1.090 291 F CA 0.781 58.678 58.000 -0.172 0.000 1.293 291 F CB -0.230 38.670 39.000 -0.166 0.000 1.013 291 F HN -0.235 nan 8.300 nan 0.000 0.486 292 V N 0.349 120.102 119.914 -0.269 0.000 2.407 292 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 292 V C 2.407 178.395 176.094 -0.177 0.000 1.055 292 V CA 2.004 64.137 62.300 -0.278 0.000 1.049 292 V CB -0.596 31.058 31.823 -0.281 0.000 0.662 292 V HN 0.287 nan 8.190 nan 0.000 0.455 293 E N -0.207 119.911 120.200 -0.137 0.000 2.110 293 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 293 E C 2.136 178.685 176.600 -0.084 0.000 0.988 293 E CA 1.225 57.571 56.400 -0.090 0.000 0.804 293 E CB -0.334 29.311 29.700 -0.092 0.000 0.745 293 E HN 0.493 nan 8.360 nan 0.000 0.458 294 L N 0.969 122.109 121.223 -0.139 0.000 1.989 294 L HA -0.175 4.165 4.340 -0.001 0.000 0.211 294 L C 2.327 179.204 176.870 0.012 0.000 1.071 294 L CA 1.487 56.277 54.840 -0.082 0.000 0.749 294 L CB -0.547 41.395 42.059 -0.195 0.000 0.890 294 L HN 0.065 nan 8.230 nan 0.000 0.431 295 L N -0.580 120.555 121.223 -0.148 0.000 2.042 295 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 295 L C 2.703 179.561 176.870 -0.019 0.000 1.076 295 L CA 1.272 56.066 54.840 -0.075 0.000 0.749 295 L CB -1.055 40.905 42.059 -0.165 0.000 0.893 295 L HN 0.415 nan 8.230 nan 0.000 0.432 296 A N 0.335 123.149 122.820 -0.010 0.000 1.933 296 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 296 A C 2.412 180.064 177.584 0.114 0.000 1.175 296 A CA 1.712 53.786 52.037 0.062 0.000 0.628 296 A CB -1.190 17.833 19.000 0.038 0.000 0.814 296 A HN 0.450 nan 8.150 nan 0.000 0.444 297 G N -0.540 108.314 108.800 0.090 0.000 2.418 297 G HA2 0.023 3.983 3.960 -0.001 0.000 0.217 297 G HA3 0.023 3.983 3.960 -0.001 0.000 0.217 297 G C 1.742 176.711 174.900 0.115 0.000 1.158 297 G CA 1.377 46.553 45.100 0.126 0.000 0.771 297 G HN 0.778 nan 8.290 nan 0.000 0.545 298 A N 0.398 123.245 122.820 0.046 0.000 1.902 298 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 298 A C 2.113 179.707 177.584 0.017 0.000 1.181 298 A CA 2.113 54.090 52.037 -0.099 0.000 0.623 298 A CB -0.794 17.835 19.000 -0.618 0.000 0.818 298 A HN 0.509 nan 8.150 nan 0.000 0.443 299 H N 0.029 119.078 119.070 -0.034 0.000 2.353 299 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 299 H C 1.883 177.282 175.328 0.119 0.000 1.090 299 H CA 1.918 57.988 56.048 0.037 0.000 1.327 299 H CB 0.072 29.846 29.762 0.020 0.000 1.383 299 H HN 0.410 nan 8.280 nan 0.000 0.508 300 E N -0.355 119.917 120.200 0.120 0.000 2.150 300 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 300 E C 2.189 178.987 176.600 0.331 0.000 0.985 300 E CA 0.870 57.359 56.400 0.148 0.000 0.814 300 E CB -0.267 29.559 29.700 0.211 0.000 0.752 300 E HN 0.487 nan 8.360 nan 0.000 0.466 301 M N 1.457 121.236 119.600 0.298 0.000 2.200 301 M HA -0.087 4.393 4.480 -0.001 0.000 0.265 301 M C 1.069 177.569 176.300 0.333 0.000 1.066 301 M CA 1.400 56.838 55.300 0.230 0.000 1.127 301 M CB -0.143 32.441 32.600 -0.027 0.000 1.379 301 M HN -0.183 nan 8.290 nan 0.000 0.420 302 D N -0.164 120.407 120.400 0.285 0.000 2.104 302 D HA -0.187 4.453 4.640 -0.001 0.000 0.194 302 D C 2.005 178.367 176.300 0.103 0.000 0.994 302 D CA 1.207 55.423 54.000 0.360 0.000 0.830 302 D CB -0.327 40.705 40.800 0.386 0.000 0.959 302 D HN 0.420 nan 8.370 nan 0.000 0.452 303 Q N -0.177 119.605 119.800 -0.031 0.000 2.084 303 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 303 Q C 2.119 178.120 176.000 0.001 0.000 0.978 303 Q CA 1.148 56.881 55.803 -0.116 0.000 0.844 303 Q CB -0.666 27.965 28.738 -0.178 0.000 0.898 303 Q HN 0.584 nan 8.270 nan 0.000 0.426 304 H N -0.067 119.060 119.070 0.094 0.000 2.319 304 H HA -0.160 4.395 4.556 -0.001 0.000 0.299 304 H C 1.758 177.174 175.328 0.147 0.000 1.092 304 H CA 1.797 57.946 56.048 0.169 0.000 1.302 304 H CB -0.334 29.675 29.762 0.413 0.000 1.373 304 H HN 0.181 nan 8.280 nan 0.000 0.497 305 F N 0.380 120.346 119.950 0.026 0.000 2.134 305 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 305 F C 2.157 177.836 175.800 -0.202 0.000 1.097 305 F CA 1.359 59.311 58.000 -0.079 0.000 1.264 305 F CB -0.691 38.252 39.000 -0.095 0.000 1.001 305 F HN 0.115 nan 8.300 nan 0.000 0.479 306 V N 0.468 120.115 119.914 -0.445 0.000 2.591 306 V HA -0.202 3.917 4.120 -0.001 0.000 0.249 306 V C 1.672 177.523 176.094 -0.405 0.000 1.053 306 V CA 1.872 63.801 62.300 -0.617 0.000 1.068 306 V CB -0.609 30.744 31.823 -0.784 0.000 0.689 306 V HN 0.355 nan 8.190 nan 0.000 0.462 307 N N -0.980 117.537 118.700 -0.304 0.000 2.282 307 N HA 0.045 4.784 4.740 -0.001 0.000 0.185 307 N C 0.566 175.938 175.510 -0.231 0.000 1.099 307 N CA 0.244 53.150 53.050 -0.241 0.000 0.878 307 N CB 0.548 38.925 38.487 -0.185 0.000 0.993 307 N HN 0.367 nan 8.380 nan 0.000 0.481 308 T N 2.910 117.301 114.554 -0.272 0.000 2.799 308 T HA 0.357 4.707 4.350 -0.001 0.000 0.286 308 T C -2.501 172.076 174.700 -0.205 0.000 0.973 308 T CA -1.297 60.648 62.100 -0.259 0.000 1.035 308 T CB 2.027 70.634 68.868 -0.435 0.000 0.932 308 T HN -0.070 nan 8.240 nan 0.000 0.469 309 P HA 0.076 nan 4.420 nan 0.000 0.267 309 P C 0.614 177.834 177.300 -0.132 0.000 1.200 309 P CA -0.322 62.620 63.100 -0.264 0.000 0.772 309 P CB 0.307 31.854 31.700 -0.256 0.000 0.855 310 F N 0.901 120.709 119.950 -0.237 0.000 2.154 310 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 310 F C 1.922 177.468 175.800 -0.423 0.000 1.087 310 F CA 1.511 59.381 58.000 -0.217 0.000 1.274 310 F CB -1.643 37.290 39.000 -0.111 0.000 1.009 310 F HN 0.379 nan 8.300 nan 0.000 0.485 311 E N -0.663 119.196 120.200 -0.569 0.000 2.333 311 E HA -0.095 4.255 4.350 -0.001 0.000 0.198 311 E C 1.643 178.098 176.600 -0.241 0.000 1.007 311 E CA 1.134 57.033 56.400 -0.835 0.000 0.845 311 E CB -0.295 28.978 29.700 -0.711 0.000 0.766 311 E HN 0.134 nan 8.360 nan 0.000 0.507 312 S N -0.276 115.362 115.700 -0.102 0.000 2.730 312 S HA 0.105 4.575 4.470 -0.001 0.000 0.244 312 S C 0.065 174.744 174.600 0.132 0.000 1.022 312 S CA -0.567 57.654 58.200 0.035 0.000 1.014 312 S CB 0.192 63.395 63.200 0.006 0.000 0.963 312 S HN 0.135 nan 8.310 nan 0.000 0.540 313 N N 2.094 120.864 118.700 0.117 0.000 2.420 313 N HA 0.312 5.051 4.740 -0.001 0.000 0.249 313 N C 0.802 176.500 175.510 0.313 0.000 1.033 313 N CA -0.074 53.084 53.050 0.179 0.000 0.944 313 N CB 0.334 38.913 38.487 0.154 0.000 1.113 313 N HN 0.169 nan 8.380 nan 0.000 0.502 314 I N 5.098 125.983 120.570 0.525 0.000 2.127 314 I HA -0.178 3.992 4.170 -0.001 0.000 0.241 314 I C -0.733 175.450 176.117 0.110 0.000 1.075 314 I CA 1.086 62.522 61.300 0.226 0.000 1.334 314 I CB -0.926 37.135 38.000 0.102 0.000 1.040 314 I HN 0.467 nan 8.210 nan 0.000 0.405 315 P HA -0.114 nan 4.420 nan 0.000 0.216 315 P C 1.928 179.271 177.300 0.071 0.000 1.150 315 P CA 1.169 64.299 63.100 0.050 0.000 0.837 315 P CB 0.008 31.697 31.700 -0.017 0.000 0.786 316 V N -0.455 119.553 119.914 0.156 0.000 2.307 316 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 316 V C 2.368 178.463 176.094 0.001 0.000 1.045 316 V CA 1.553 63.888 62.300 0.058 0.000 1.024 316 V CB -1.056 30.773 31.823 0.010 0.000 0.651 316 V HN 0.036 nan 8.190 nan 0.000 0.449 317 I N -0.324 120.260 120.570 0.023 0.000 2.163 317 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 317 I C 2.355 178.365 176.117 -0.179 0.000 1.085 317 I CA 1.690 62.916 61.300 -0.123 0.000 1.347 317 I CB -0.355 37.468 38.000 -0.295 0.000 1.044 317 I HN 0.245 nan 8.210 nan 0.000 0.408 318 L N 0.379 121.531 121.223 -0.118 0.000 2.046 318 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 318 L C 2.869 179.723 176.870 -0.027 0.000 1.077 318 L CA 1.339 56.144 54.840 -0.059 0.000 0.747 318 L CB -0.824 41.204 42.059 -0.052 0.000 0.896 318 L HN 0.262 nan 8.230 nan 0.000 0.432 319 A N 0.264 123.054 122.820 -0.050 0.000 1.877 319 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 319 A C 2.263 179.787 177.584 -0.100 0.000 1.186 319 A CA 1.514 53.505 52.037 -0.076 0.000 0.620 319 A CB -0.705 18.229 19.000 -0.110 0.000 0.822 319 A HN 0.350 nan 8.150 nan 0.000 0.443 320 L N -0.639 120.503 121.223 -0.134 0.000 2.056 320 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 320 L C 2.494 179.298 176.870 -0.109 0.000 1.078 320 L CA 1.183 55.925 54.840 -0.164 0.000 0.749 320 L CB -0.480 41.404 42.059 -0.292 0.000 0.901 320 L HN 0.377 nan 8.230 nan 0.000 0.433 321 I N -0.207 120.295 120.570 -0.113 0.000 2.226 321 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 321 I C 2.607 178.727 176.117 0.005 0.000 1.100 321 I CA 1.431 62.682 61.300 -0.082 0.000 1.374 321 I CB -0.857 37.132 38.000 -0.019 0.000 1.057 321 I HN 0.295 nan 8.210 nan 0.000 0.413 322 G N 1.143 110.012 108.800 0.114 0.000 2.418 322 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 322 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 322 G C 1.702 176.766 174.900 0.274 0.000 1.158 322 G CA 0.597 45.840 45.100 0.239 0.000 0.771 322 G HN 0.319 nan 8.290 nan 0.000 0.545 323 I N -0.738 119.955 120.570 0.205 0.000 2.286 323 I HA -0.159 4.011 4.170 -0.001 0.000 0.248 323 I C 2.527 178.871 176.117 0.378 0.000 1.115 323 I CA 0.897 62.388 61.300 0.318 0.000 1.392 323 I CB -0.214 37.891 38.000 0.176 0.000 1.065 323 I HN 0.426 nan 8.210 nan 0.000 0.418 324 W N 1.122 122.438 121.300 0.027 0.000 2.335 324 W HA -0.309 4.351 4.660 -0.000 0.000 0.311 324 W C 2.315 178.933 176.519 0.165 0.000 1.213 324 W CA 1.569 58.924 57.345 0.016 0.000 1.274 324 W CB -0.283 29.018 29.460 -0.266 0.000 1.148 324 W HN 0.133 nan 8.180 nan 0.000 0.498 325 Y N 0.518 120.980 120.300 0.270 0.000 2.220 325 Y HA -0.177 4.373 4.550 -0.001 0.000 0.291 325 Y C 2.354 178.314 175.900 0.101 0.000 1.129 325 Y CA 1.874 60.041 58.100 0.111 0.000 1.161 325 Y CB -1.542 36.973 38.460 0.092 0.000 0.997 325 Y HN 0.033 nan 8.280 nan 0.000 0.522 326 N N 0.153 119.037 118.700 0.307 0.000 2.142 326 N HA -0.145 4.595 4.740 -0.001 0.000 0.186 326 N C 0.951 176.512 175.510 0.085 0.000 1.023 326 N CA 1.712 54.893 53.050 0.218 0.000 0.852 326 N CB -0.180 38.513 38.487 0.344 0.000 0.998 326 N HN 0.314 nan 8.380 nan 0.000 0.424 327 N N -2.159 116.569 118.700 0.047 0.000 2.322 327 N HA 0.206 4.946 4.740 -0.001 0.000 0.181 327 N C 0.203 175.213 175.510 -0.833 0.000 1.088 327 N CA 0.242 53.137 53.050 -0.258 0.000 0.885 327 N CB 0.347 38.735 38.487 -0.165 0.000 1.013 327 N HN 0.170 nan 8.380 nan 0.000 0.472 328 F N -0.786 118.896 119.950 -0.446 0.000 2.537 328 F HA 0.256 4.783 4.527 -0.000 0.000 0.277 328 F C 1.962 177.040 175.800 -1.204 0.000 1.013 328 F CA 0.308 57.705 58.000 -1.005 0.000 1.332 328 F CB -0.027 38.224 39.000 -1.248 0.000 1.108 328 F HN 0.135 nan 8.300 nan 0.000 0.679 329 H N -0.103 118.657 119.070 -0.517 0.000 2.547 329 H HA 0.165 4.721 4.556 -0.001 0.000 0.272 329 H C 1.762 177.036 175.328 -0.090 0.000 0.989 329 H CA 1.114 57.059 56.048 -0.171 0.000 1.214 329 H CB -0.109 29.678 29.762 0.043 0.000 1.389 329 H HN 0.425 nan 8.280 nan 0.000 0.577 330 G N 0.891 109.673 108.800 -0.031 0.000 2.160 330 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.251 330 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.251 330 G C 0.400 175.322 174.900 0.037 0.000 1.008 330 G CA 0.314 45.403 45.100 -0.020 0.000 0.724 330 G HN 0.653 nan 8.290 nan 0.000 0.514 331 A N -0.316 122.556 122.820 0.086 0.000 2.409 331 A HA 0.644 4.963 4.320 -0.001 0.000 0.262 331 A C 1.054 178.681 177.584 0.073 0.000 1.113 331 A CA 0.715 52.799 52.037 0.077 0.000 0.790 331 A CB 0.309 19.358 19.000 0.083 0.000 1.046 331 A HN 0.497 nan 8.150 nan 0.000 0.496 332 E N 1.020 121.250 120.200 0.050 0.000 2.371 332 E HA 0.005 4.355 4.350 -0.001 0.000 0.194 332 E C 0.683 177.328 176.600 0.075 0.000 1.012 332 E CA 0.861 57.284 56.400 0.038 0.000 0.860 332 E CB 0.179 29.880 29.700 0.002 0.000 0.811 332 E HN 0.762 nan 8.360 nan 0.000 0.502 333 S N -0.063 115.709 115.700 0.120 0.000 2.667 333 S HA 0.494 4.964 4.470 -0.001 0.000 0.292 333 S C -0.835 173.883 174.600 0.197 0.000 1.126 333 S CA -0.960 57.362 58.200 0.204 0.000 0.881 333 S CB 2.394 65.792 63.200 0.329 0.000 1.132 333 S HN -0.052 nan 8.310 nan 0.000 0.492 334 E N -0.081 120.226 120.200 0.179 0.000 2.275 334 E HA 0.619 4.969 4.350 -0.001 0.000 0.270 334 E C -1.162 175.310 176.600 -0.213 0.000 0.882 334 E CA -0.970 55.449 56.400 0.032 0.000 0.758 334 E CB 2.223 31.959 29.700 0.060 0.000 1.195 334 E HN 0.873 nan 8.360 nan 0.000 0.419 335 A N 3.798 126.362 122.820 -0.427 0.000 2.305 335 A HA 0.642 4.962 4.320 -0.001 0.000 0.322 335 A C -0.453 176.877 177.584 -0.424 0.000 1.187 335 A CA -0.504 51.035 52.037 -0.829 0.000 0.825 335 A CB 0.399 18.720 19.000 -1.131 0.000 1.164 335 A HN 0.601 nan 8.150 nan 0.000 0.498 336 I N 2.799 123.160 120.570 -0.349 0.000 2.355 336 I HA 0.287 4.457 4.170 -0.001 0.000 0.288 336 I C -0.915 175.137 176.117 -0.108 0.000 0.999 336 I CA -0.106 61.117 61.300 -0.130 0.000 1.163 336 I CB 1.329 39.310 38.000 -0.032 0.000 1.316 336 I HN 0.476 nan 8.210 nan 0.000 0.454 337 L N 8.422 129.575 121.223 -0.116 0.000 2.457 337 L HA 0.408 4.748 4.340 -0.001 0.000 0.252 337 L C -2.593 174.316 176.870 0.066 0.000 1.132 337 L CA -1.643 53.126 54.840 -0.118 0.000 0.938 337 L CB 0.917 42.713 42.059 -0.438 0.000 1.246 337 L HN 0.270 nan 8.230 nan 0.000 0.476 338 P HA 0.107 nan 4.420 nan 0.000 0.281 338 P C -0.866 176.509 177.300 0.124 0.000 1.252 338 P CA -0.139 63.032 63.100 0.117 0.000 0.778 338 P CB 0.406 32.103 31.700 -0.006 0.000 0.895 339 Y N 2.330 122.647 120.300 0.029 0.000 2.735 339 Y HA 0.326 4.876 4.550 -0.001 0.000 0.354 339 Y C 0.139 176.025 175.900 -0.023 0.000 1.288 339 Y CA 0.258 58.365 58.100 0.012 0.000 1.836 339 Y CB -0.350 38.131 38.460 0.036 0.000 1.920 339 Y HN 0.345 nan 8.280 nan 0.000 0.438 340 D N -0.329 120.086 120.400 0.026 0.000 2.484 340 D HA 0.061 4.701 4.640 -0.001 0.000 0.206 340 D C 0.536 176.838 176.300 0.003 0.000 1.322 340 D CA -0.249 53.772 54.000 0.035 0.000 0.913 340 D CB 0.962 41.804 40.800 0.071 0.000 1.559 340 D HN 0.075 nan 8.370 nan 0.000 0.565 341 Q N 2.210 121.965 119.800 -0.074 0.000 2.124 341 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 341 Q C 0.852 176.857 176.000 0.008 0.000 0.977 341 Q CA 1.816 57.557 55.803 -0.103 0.000 0.850 341 Q CB -0.147 28.452 28.738 -0.233 0.000 0.901 341 Q HN 0.687 nan 8.270 nan 0.000 0.429 342 Y N -0.255 120.077 120.300 0.055 0.000 2.274 342 Y HA -0.102 4.448 4.550 -0.001 0.000 0.290 342 Y C 1.327 177.290 175.900 0.104 0.000 1.145 342 Y CA 0.769 58.918 58.100 0.081 0.000 1.203 342 Y CB -0.188 38.293 38.460 0.035 0.000 0.984 342 Y HN 0.089 nan 8.280 nan 0.000 0.533 343 L N 0.661 122.007 121.223 0.204 0.000 2.672 343 L HA -0.009 4.330 4.340 -0.001 0.000 0.236 343 L C 1.685 178.622 176.870 0.111 0.000 1.186 343 L CA 0.120 55.020 54.840 0.099 0.000 0.977 343 L CB -0.777 41.274 42.059 -0.013 0.000 1.203 343 L HN 0.455 nan 8.230 nan 0.000 0.448 344 H N -1.884 117.197 119.070 0.018 0.000 2.518 344 H HA -0.045 4.511 4.556 -0.001 0.000 0.289 344 H C 1.641 176.978 175.328 0.014 0.000 1.051 344 H CA 0.632 56.686 56.048 0.011 0.000 1.280 344 H CB 0.065 29.822 29.762 -0.009 0.000 1.380 344 H HN 0.070 nan 8.280 nan 0.000 0.566 345 R N -0.438 119.800 120.500 -0.436 0.000 2.432 345 R HA 0.098 4.438 4.340 -0.001 0.000 0.260 345 R C 0.838 177.079 176.300 -0.099 0.000 0.935 345 R CA -0.191 55.703 56.100 -0.343 0.000 1.080 345 R CB -0.773 29.152 30.300 -0.625 0.000 1.155 345 R HN 0.366 nan 8.270 nan 0.000 0.531 346 F N 1.777 121.649 119.950 -0.130 0.000 2.113 346 F HA -0.116 4.411 4.527 -0.001 0.000 0.297 346 F C 2.148 177.992 175.800 0.073 0.000 1.103 346 F CA 1.645 59.631 58.000 -0.024 0.000 1.248 346 F CB -0.057 38.957 39.000 0.024 0.000 0.999 346 F HN 0.091 nan 8.300 nan 0.000 0.475 347 A N 0.337 123.254 122.820 0.162 0.000 1.902 347 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 347 A C 2.390 179.969 177.584 -0.009 0.000 1.181 347 A CA 1.837 53.909 52.037 0.059 0.000 0.623 347 A CB -1.595 17.443 19.000 0.064 0.000 0.818 347 A HN 0.490 nan 8.150 nan 0.000 0.443 348 A N -1.472 121.339 122.820 -0.014 0.000 1.940 348 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 348 A C 2.131 179.642 177.584 -0.123 0.000 1.176 348 A CA 1.769 53.780 52.037 -0.044 0.000 0.631 348 A CB -0.842 18.142 19.000 -0.026 0.000 0.814 348 A HN 0.781 nan 8.150 nan 0.000 0.446 349 Y N -0.719 119.386 120.300 -0.324 0.000 2.181 349 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 349 Y C 1.798 177.318 175.900 -0.632 0.000 1.146 349 Y CA 1.924 59.712 58.100 -0.521 0.000 1.164 349 Y CB -0.432 37.598 38.460 -0.716 0.000 0.982 349 Y HN 0.284 nan 8.280 nan 0.000 0.515 350 F N 0.328 120.061 119.950 -0.362 0.000 2.661 350 F HA -0.122 4.404 4.527 -0.001 0.000 0.298 350 F C 2.302 177.922 175.800 -0.298 0.000 1.137 350 F CA 0.850 58.606 58.000 -0.405 0.000 1.454 350 F CB -0.244 38.493 39.000 -0.438 0.000 1.103 350 F HN 0.125 nan 8.300 nan 0.000 0.577 351 Q N 0.024 119.750 119.800 -0.123 0.000 2.061 351 Q HA -0.295 4.044 4.340 -0.001 0.000 0.204 351 Q C 2.218 178.124 176.000 -0.156 0.000 0.984 351 Q CA 1.901 57.648 55.803 -0.092 0.000 0.846 351 Q CB -0.279 28.419 28.738 -0.065 0.000 0.902 351 Q HN 0.522 nan 8.270 nan 0.000 0.421 352 Q N -0.332 119.298 119.800 -0.282 0.000 2.020 352 Q HA -0.118 4.222 4.340 -0.001 0.000 0.198 352 Q C 2.124 177.915 176.000 -0.347 0.000 0.974 352 Q CA 1.382 56.998 55.803 -0.310 0.000 0.829 352 Q CB -0.291 28.219 28.738 -0.380 0.000 0.894 352 Q HN 0.426 nan 8.270 nan 0.000 0.433 353 G N 1.255 109.725 108.800 -0.550 0.000 2.469 353 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.219 353 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.219 353 G C 1.411 176.242 174.900 -0.115 0.000 1.150 353 G CA 1.074 45.889 45.100 -0.477 0.000 0.763 353 G HN 0.321 nan 8.290 nan 0.000 0.561 354 N N 0.145 118.850 118.700 0.008 0.000 2.245 354 N HA 0.053 4.792 4.740 -0.001 0.000 0.185 354 N C 2.449 177.986 175.510 0.045 0.000 1.036 354 N CA 0.910 54.008 53.050 0.081 0.000 0.857 354 N CB -0.205 38.343 38.487 0.102 0.000 1.015 354 N HN 0.291 nan 8.380 nan 0.000 0.436 355 M N 0.585 120.186 119.600 0.001 0.000 2.175 355 M HA -0.052 4.428 4.480 -0.001 0.000 0.264 355 M C 2.000 178.284 176.300 -0.028 0.000 1.063 355 M CA 1.177 56.472 55.300 -0.007 0.000 1.119 355 M CB -0.226 32.361 32.600 -0.023 0.000 1.377 355 M HN 0.178 nan 8.290 nan 0.000 0.415 356 E N 0.007 120.172 120.200 -0.059 0.000 2.208 356 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 356 E C 1.784 178.373 176.600 -0.019 0.000 0.988 356 E CA 1.017 57.383 56.400 -0.056 0.000 0.828 356 E CB 0.272 29.918 29.700 -0.089 0.000 0.763 356 E HN 0.381 nan 8.360 nan 0.000 0.478 357 S N 0.781 116.479 115.700 -0.002 0.000 2.345 357 S HA -0.021 4.449 4.470 -0.001 0.000 0.219 357 S C 1.333 175.959 174.600 0.043 0.000 1.031 357 S CA 0.886 59.098 58.200 0.021 0.000 0.984 357 S CB -0.004 63.227 63.200 0.052 0.000 0.874 357 S HN 0.277 nan 8.310 nan 0.000 0.451 358 N N 0.741 119.492 118.700 0.085 0.000 2.203 358 N HA 0.174 4.914 4.740 -0.001 0.000 0.207 358 N C 0.397 175.940 175.510 0.054 0.000 1.130 358 N CA 0.034 53.173 53.050 0.147 0.000 0.861 358 N CB 0.469 39.161 38.487 0.343 0.000 1.005 358 N HN 0.301 nan 8.380 nan 0.000 0.507 359 G N 1.147 109.946 108.800 -0.001 0.000 2.985 359 G HA2 0.174 4.134 3.960 -0.001 0.000 0.282 359 G HA3 0.174 4.134 3.960 -0.001 0.000 0.282 359 G C 0.083 174.918 174.900 -0.109 0.000 0.791 359 G CA -0.063 44.995 45.100 -0.069 0.000 1.934 359 G HN -0.139 nan 8.290 nan 0.000 0.563 360 K N 0.957 121.295 120.400 -0.103 0.000 2.477 360 K HA 0.277 4.596 4.320 -0.001 0.000 0.255 360 K C -0.407 176.152 176.600 -0.068 0.000 0.952 360 K CA -0.907 55.322 56.287 -0.095 0.000 0.826 360 K CB 2.038 34.560 32.500 0.037 0.000 1.331 360 K HN 0.560 nan 8.250 nan 0.000 0.437 361 Y N -1.768 118.500 120.300 -0.053 0.000 2.675 361 Y HA 0.465 5.015 4.550 -0.001 0.000 0.248 361 Y C -0.206 175.626 175.900 -0.114 0.000 1.161 361 Y CA -0.743 57.283 58.100 -0.123 0.000 1.203 361 Y CB 0.861 39.248 38.460 -0.121 0.000 1.262 361 Y HN -0.029 nan 8.280 nan 0.000 0.544 362 V N 3.098 123.159 119.914 0.245 0.000 2.540 362 V HA 0.207 4.327 4.120 -0.001 0.000 0.302 362 V C -0.602 175.539 176.094 0.078 0.000 1.035 362 V CA -0.946 61.432 62.300 0.130 0.000 0.873 362 V CB 1.705 33.639 31.823 0.185 0.000 0.992 362 V HN 0.392 nan 8.190 nan 0.000 0.428 363 D N 4.049 124.459 120.400 0.016 0.000 2.411 363 D HA 0.193 4.833 4.640 -0.001 0.000 0.251 363 D C 0.973 177.231 176.300 -0.070 0.000 1.201 363 D CA -0.556 53.433 54.000 -0.018 0.000 0.996 363 D CB 0.809 41.617 40.800 0.014 0.000 1.101 363 D HN 0.322 nan 8.370 nan 0.000 0.504 364 R N -0.695 119.665 120.500 -0.234 0.000 2.237 364 R HA -0.007 4.333 4.340 -0.001 0.000 0.219 364 R C 0.692 176.989 176.300 -0.005 0.000 1.080 364 R CA 0.605 56.461 56.100 -0.407 0.000 0.995 364 R CB -0.274 29.658 30.300 -0.613 0.000 0.875 364 R HN 0.450 nan 8.270 nan 0.000 0.462 365 N N -0.246 118.462 118.700 0.013 0.000 2.336 365 N HA 0.019 4.759 4.740 -0.001 0.000 0.189 365 N C 0.832 176.381 175.510 0.066 0.000 1.113 365 N CA 0.886 53.969 53.050 0.054 0.000 0.858 365 N CB 1.227 39.731 38.487 0.028 0.000 0.970 365 N HN 0.362 nan 8.380 nan 0.000 0.471 366 G N 0.888 109.737 108.800 0.082 0.000 2.141 366 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.242 366 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.242 366 G C -0.290 174.626 174.900 0.027 0.000 0.982 366 G CA -0.374 44.769 45.100 0.072 0.000 0.662 366 G HN 0.269 nan 8.290 nan 0.000 0.527 367 N N 1.495 120.201 118.700 0.010 0.000 2.430 367 N HA 0.494 5.234 4.740 -0.001 0.000 0.292 367 N C -2.574 172.906 175.510 -0.051 0.000 1.051 367 N CA -1.485 51.552 53.050 -0.022 0.000 0.917 367 N CB 2.068 40.543 38.487 -0.019 0.000 1.164 367 N HN 0.111 nan 8.380 nan 0.000 0.484 368 P HA -0.035 nan 4.420 nan 0.000 0.268 368 P C 0.253 177.440 177.300 -0.189 0.000 1.204 368 P CA -0.245 62.763 63.100 -0.152 0.000 0.768 368 P CB 0.504 32.087 31.700 -0.195 0.000 0.842 369 V N 1.012 120.759 119.914 -0.278 0.000 3.051 369 V HA 0.303 4.423 4.120 -0.001 0.000 0.306 369 V C 1.120 176.927 176.094 -0.478 0.000 1.083 369 V CA 0.539 62.502 62.300 -0.561 0.000 1.104 369 V CB 0.025 31.257 31.823 -0.984 0.000 1.027 369 V HN 0.720 nan 8.190 nan 0.000 0.483 370 T N -0.063 114.198 114.554 -0.488 0.000 3.252 370 T HA 0.472 4.822 4.350 -0.001 0.000 0.286 370 T C -0.258 174.388 174.700 -0.091 0.000 1.013 370 T CA 0.087 62.069 62.100 -0.196 0.000 0.914 370 T CB -0.866 67.975 68.868 -0.046 0.000 1.131 370 T HN 1.172 nan 8.240 nan 0.000 0.529 371 Y N -2.076 118.143 120.300 -0.135 0.000 2.670 371 Y HA 0.734 5.283 4.550 -0.000 0.000 0.334 371 Y C -0.743 175.047 175.900 -0.183 0.000 1.185 371 Y CA -1.817 56.204 58.100 -0.131 0.000 1.053 371 Y CB 0.697 39.074 38.460 -0.139 0.000 1.298 371 Y HN -0.240 nan 8.280 nan 0.000 0.459 372 Q N 1.887 121.678 119.800 -0.014 0.000 2.332 372 Q HA 0.325 4.665 4.340 -0.001 0.000 0.263 372 Q C 0.247 175.932 176.000 -0.525 0.000 0.979 372 Q CA 0.540 56.219 55.803 -0.206 0.000 0.885 372 Q CB 1.771 30.427 28.738 -0.136 0.000 1.218 372 Q HN 1.037 nan 8.270 nan 0.000 0.405 373 T N -1.748 112.406 114.554 -0.667 0.000 2.909 373 T HA 0.518 4.867 4.350 -0.001 0.000 0.251 373 T C 0.657 174.734 174.700 -1.039 0.000 1.119 373 T CA -0.195 61.187 62.100 -1.198 0.000 1.009 373 T CB -0.351 68.157 68.868 -0.599 0.000 2.376 373 T HN 0.567 nan 8.240 nan 0.000 0.526 374 G N 2.972 111.456 108.800 -0.526 0.000 2.414 374 G HA2 0.468 4.428 3.960 -0.001 0.000 0.236 374 G HA3 0.468 4.428 3.960 -0.001 0.000 0.236 374 G C -2.269 172.605 174.900 -0.043 0.000 1.293 374 G CA -0.737 44.306 45.100 -0.094 0.000 0.869 374 G HN 0.691 nan 8.290 nan 0.000 0.556 375 P HA 0.375 nan 4.420 nan 0.000 0.280 375 P C -0.190 177.157 177.300 0.079 0.000 1.272 375 P CA -0.746 62.406 63.100 0.087 0.000 0.819 375 P CB 1.432 33.228 31.700 0.159 0.000 1.122 376 I N 1.102 121.721 120.570 0.081 0.000 2.416 376 I HA 0.148 4.318 4.170 -0.001 0.000 0.288 376 I C 0.537 176.768 176.117 0.190 0.000 1.051 376 I CA -0.330 61.027 61.300 0.094 0.000 1.375 376 I CB 0.155 38.186 38.000 0.051 0.000 1.407 376 I HN 0.051 nan 8.210 nan 0.000 0.516 377 I N 7.415 128.079 120.570 0.156 0.000 2.392 377 I HA 0.418 4.588 4.170 -0.001 0.000 0.295 377 I C -0.309 175.949 176.117 0.235 0.000 0.985 377 I CA -0.361 61.023 61.300 0.141 0.000 1.221 377 I CB 1.192 39.222 38.000 0.050 0.000 1.366 377 I HN 0.715 nan 8.210 nan 0.000 0.467 378 W N 4.399 125.661 121.300 -0.064 0.000 2.959 378 W HA 0.752 5.413 4.660 0.000 0.000 0.358 378 W C -0.699 175.774 176.519 -0.077 0.000 1.228 378 W CA -1.253 56.040 57.345 -0.088 0.000 1.183 378 W CB 1.071 30.447 29.460 -0.142 0.000 1.467 378 W HN 0.819 nan 8.180 nan 0.000 0.578 379 G N 0.738 109.528 108.800 -0.016 0.000 2.345 379 G HA2 0.346 4.306 3.960 -0.001 0.000 0.310 379 G HA3 0.346 4.306 3.960 -0.001 0.000 0.310 379 G C -2.027 172.954 174.900 0.135 0.000 1.476 379 G CA -0.909 44.099 45.100 -0.154 0.000 0.978 379 G HN 0.539 nan 8.290 nan 0.000 0.656 380 E N 0.110 120.466 120.200 0.260 0.000 2.367 380 E HA 0.547 4.897 4.350 -0.001 0.000 0.273 380 E C -2.638 174.024 176.600 0.103 0.000 0.903 380 E CA -1.480 55.059 56.400 0.231 0.000 0.764 380 E CB 3.081 32.982 29.700 0.335 0.000 1.252 380 E HN 0.368 nan 8.360 nan 0.000 0.446 381 P HA 0.083 nan 4.420 nan 0.000 0.269 381 P C 0.096 177.228 177.300 -0.281 0.000 1.209 381 P CA -0.111 62.939 63.100 -0.083 0.000 0.776 381 P CB 0.507 32.187 31.700 -0.034 0.000 0.876 382 G N 0.734 109.152 108.800 -0.638 0.000 2.444 382 G HA2 0.321 4.281 3.960 -0.001 0.000 0.268 382 G HA3 0.321 4.281 3.960 -0.001 0.000 0.268 382 G C 1.020 175.479 174.900 -0.736 0.000 1.203 382 G CA -0.331 44.047 45.100 -1.203 0.000 0.835 382 G HN 0.535 nan 8.290 nan 0.000 0.543 383 T N -0.697 113.594 114.554 -0.438 0.000 3.129 383 T HA -0.018 4.331 4.350 -0.001 0.000 0.251 383 T C 1.657 176.162 174.700 -0.325 0.000 1.117 383 T CA 0.109 61.968 62.100 -0.402 0.000 1.034 383 T CB -0.071 68.726 68.868 -0.118 0.000 0.968 383 T HN 0.348 nan 8.240 nan 0.000 0.526 384 N N 2.294 120.852 118.700 -0.238 0.000 2.104 384 N HA -0.043 4.697 4.740 -0.001 0.000 0.190 384 N C 2.167 177.530 175.510 -0.244 0.000 1.024 384 N CA 1.667 54.630 53.050 -0.144 0.000 0.853 384 N CB -0.888 37.552 38.487 -0.079 0.000 1.008 384 N HN 0.633 nan 8.380 nan 0.000 0.424 385 G N 0.654 109.242 108.800 -0.354 0.000 2.403 385 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 385 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 385 G C 1.388 175.567 174.900 -1.201 0.000 1.154 385 G CA 0.429 45.128 45.100 -0.669 0.000 0.784 385 G HN 0.362 nan 8.290 nan 0.000 0.538 386 Q N -0.264 118.775 119.800 -1.269 0.000 2.112 386 Q HA -0.191 4.149 4.340 -0.001 0.000 0.206 386 Q C 1.780 177.136 176.000 -1.073 0.000 0.987 386 Q CA 1.250 55.920 55.803 -1.889 0.000 0.858 386 Q CB -0.148 27.801 28.738 -1.314 0.000 0.905 386 Q HN 0.585 nan 8.270 nan 0.000 0.420 387 H N -1.548 117.233 119.070 -0.482 0.000 2.539 387 H HA 0.220 4.776 4.556 -0.001 0.000 0.269 387 H C 0.981 176.202 175.328 -0.179 0.000 0.980 387 H CA 0.680 56.578 56.048 -0.250 0.000 1.152 387 H CB 0.589 30.249 29.762 -0.170 0.000 1.407 387 H HN 0.378 nan 8.280 nan 0.000 0.564 388 A N 0.567 123.271 122.820 -0.193 0.000 2.010 388 A HA 0.095 4.415 4.320 -0.001 0.000 0.210 388 A C 1.294 178.932 177.584 0.090 0.000 1.479 388 A CA 0.358 52.374 52.037 -0.034 0.000 0.748 388 A CB -0.240 18.781 19.000 0.035 0.000 1.125 388 A HN 0.254 nan 8.150 nan 0.000 0.522 389 F N -4.040 116.048 119.950 0.230 0.000 2.798 389 F HA 0.464 4.990 4.527 -0.001 0.000 0.328 389 F C 1.065 177.114 175.800 0.414 0.000 1.098 389 F CA -0.925 57.254 58.000 0.299 0.000 1.172 389 F CB -0.173 39.032 39.000 0.343 0.000 1.072 389 F HN 0.062 nan 8.300 nan 0.000 0.555 390 Y N 1.687 122.031 120.300 0.073 0.000 2.403 390 Y HA -0.146 4.404 4.550 -0.001 0.000 0.291 390 Y C 2.656 178.754 175.900 0.331 0.000 1.143 390 Y CA 1.200 59.433 58.100 0.222 0.000 1.257 390 Y CB -0.979 37.586 38.460 0.175 0.000 0.984 390 Y HN 0.320 nan 8.280 nan 0.000 0.550 391 Q N 0.774 120.824 119.800 0.417 0.000 2.096 391 Q HA -0.235 4.104 4.340 -0.001 0.000 0.208 391 Q C 2.213 178.379 176.000 0.277 0.000 0.993 391 Q CA 2.103 58.096 55.803 0.316 0.000 0.862 391 Q CB -0.831 28.033 28.738 0.210 0.000 0.915 391 Q HN 0.618 nan 8.270 nan 0.000 0.416 392 L N -0.744 120.641 121.223 0.270 0.000 2.156 392 L HA -0.027 4.312 4.340 -0.001 0.000 0.208 392 L C 2.116 179.095 176.870 0.181 0.000 1.095 392 L CA 0.911 55.871 54.840 0.200 0.000 0.770 392 L CB -0.125 42.044 42.059 0.182 0.000 0.914 392 L HN 0.355 nan 8.230 nan 0.000 0.439 393 I N -0.993 119.703 120.570 0.209 0.000 2.252 393 I HA -0.290 3.879 4.170 -0.001 0.000 0.245 393 I C 2.368 178.487 176.117 0.003 0.000 1.102 393 I CA 0.999 62.337 61.300 0.064 0.000 1.385 393 I CB -0.664 37.298 38.000 -0.064 0.000 1.064 393 I HN 0.351 nan 8.210 nan 0.000 0.414 394 H N 0.542 119.709 119.070 0.162 0.000 2.403 394 H HA 0.027 4.582 4.556 -0.001 0.000 0.298 394 H C 1.207 176.581 175.328 0.076 0.000 1.059 394 H CA 1.126 57.285 56.048 0.184 0.000 1.363 394 H CB 0.261 30.236 29.762 0.355 0.000 1.410 394 H HN 0.475 nan 8.280 nan 0.000 0.528 395 Q N -0.021 119.871 119.800 0.154 0.000 2.086 395 Q HA 0.224 4.563 4.340 -0.001 0.000 0.220 395 Q C 0.722 176.744 176.000 0.037 0.000 0.792 395 Q CA -0.309 55.507 55.803 0.021 0.000 1.062 395 Q CB 1.921 30.607 28.738 -0.086 0.000 1.198 395 Q HN 0.211 nan 8.270 nan 0.000 0.466 396 G N 0.412 109.250 108.800 0.063 0.000 2.509 396 G HA2 0.192 4.152 3.960 -0.001 0.000 0.269 396 G HA3 0.192 4.152 3.960 -0.001 0.000 0.269 396 G C 0.663 175.584 174.900 0.034 0.000 1.416 396 G CA 0.166 45.297 45.100 0.051 0.000 1.052 396 G HN 0.169 nan 8.290 nan 0.000 0.542 397 T N -2.787 111.784 114.554 0.028 0.000 3.132 397 T HA 0.403 4.752 4.350 -0.001 0.000 0.274 397 T C 0.234 174.947 174.700 0.021 0.000 1.011 397 T CA -0.244 61.869 62.100 0.022 0.000 0.899 397 T CB 0.228 69.106 68.868 0.016 0.000 1.089 397 T HN 0.164 nan 8.240 nan 0.000 0.543 398 K N 1.355 121.768 120.400 0.023 0.000 2.207 398 K HA 0.668 4.988 4.320 -0.001 0.000 0.255 398 K C -1.116 175.496 176.600 0.019 0.000 0.941 398 K CA -0.936 55.364 56.287 0.021 0.000 0.825 398 K CB 1.867 34.377 32.500 0.017 0.000 1.119 398 K HN 0.144 nan 8.250 nan 0.000 0.430 399 L N 4.370 125.599 121.223 0.010 0.000 2.281 399 L HA 0.489 4.828 4.340 -0.001 0.000 0.285 399 L C -1.118 175.733 176.870 -0.033 0.000 1.074 399 L CA 0.266 55.085 54.840 -0.034 0.000 0.817 399 L CB 0.111 42.144 42.059 -0.043 0.000 1.168 399 L HN 0.605 nan 8.230 nan 0.000 0.434 400 I N 7.401 127.938 120.570 -0.055 0.000 2.563 400 I HA 0.312 4.482 4.170 -0.001 0.000 0.276 400 I C -2.196 173.854 176.117 -0.111 0.000 1.074 400 I CA -1.646 59.650 61.300 -0.007 0.000 1.124 400 I CB 1.227 39.296 38.000 0.115 0.000 1.225 400 I HN 0.502 nan 8.210 nan 0.000 0.482 401 P HA 0.050 nan 4.420 nan 0.000 0.265 401 P C -0.812 176.436 177.300 -0.087 0.000 1.193 401 P CA -0.050 62.925 63.100 -0.208 0.000 0.765 401 P CB 0.465 32.050 31.700 -0.191 0.000 0.823 402 C N 2.603 121.884 119.300 -0.031 0.000 2.498 402 C HA 0.380 4.839 4.460 -0.001 0.000 0.316 402 C C -0.365 174.708 174.990 0.138 0.000 1.209 402 C CA -0.348 58.665 59.018 -0.009 0.000 1.518 402 C CB 1.371 29.134 27.740 0.039 0.000 2.147 402 C HN 0.490 nan 8.230 nan 0.000 0.483 403 D N 1.879 122.333 120.400 0.090 0.000 2.373 403 D HA 0.436 5.076 4.640 -0.001 0.000 0.227 403 D C -0.707 175.707 176.300 0.190 0.000 1.091 403 D CA 0.026 54.152 54.000 0.210 0.000 0.840 403 D CB 0.508 41.460 40.800 0.253 0.000 1.060 403 D HN 0.264 nan 8.370 nan 0.000 0.502 404 F N 2.320 122.345 119.950 0.124 0.000 2.411 404 F HA 0.432 4.959 4.527 -0.001 0.000 0.350 404 F C 0.613 176.648 175.800 0.391 0.000 1.114 404 F CA -0.485 57.639 58.000 0.206 0.000 1.135 404 F CB 0.753 39.696 39.000 -0.095 0.000 1.120 404 F HN 0.110 nan 8.300 nan 0.000 0.495 405 I N 3.176 124.061 120.570 0.525 0.000 2.545 405 I HA 0.785 4.955 4.170 -0.001 0.000 0.292 405 I C -0.612 175.586 176.117 0.134 0.000 1.040 405 I CA -0.765 60.729 61.300 0.323 0.000 1.068 405 I CB 1.933 40.008 38.000 0.125 0.000 1.251 405 I HN 0.643 nan 8.210 nan 0.000 0.424 406 A N 7.144 129.864 122.820 -0.167 0.000 2.589 406 A HA 0.870 5.190 4.320 -0.001 0.000 0.296 406 A C -3.050 174.382 177.584 -0.252 0.000 1.062 406 A CA -1.254 50.543 52.037 -0.400 0.000 0.686 406 A CB 2.177 20.444 19.000 -1.221 0.000 1.282 406 A HN 0.368 nan 8.150 nan 0.000 0.404 407 P HA 0.464 nan 4.420 nan 0.000 0.292 407 P C 0.541 177.875 177.300 0.058 0.000 1.283 407 P CA 0.050 63.142 63.100 -0.014 0.000 0.835 407 P CB 1.925 33.640 31.700 0.026 0.000 1.017 408 A N 3.131 125.985 122.820 0.057 0.000 2.014 408 A HA 0.073 4.393 4.320 -0.001 0.000 0.218 408 A C 0.850 178.505 177.584 0.119 0.000 1.163 408 A CA 1.300 53.412 52.037 0.125 0.000 0.652 408 A CB -0.436 18.623 19.000 0.098 0.000 0.808 408 A HN 0.434 nan 8.150 nan 0.000 0.449 409 V N 0.200 120.080 119.914 -0.057 0.000 2.444 409 V HA 0.419 4.539 4.120 -0.001 0.000 0.294 409 V C 0.182 176.026 176.094 -0.418 0.000 1.022 409 V CA -0.626 61.533 62.300 -0.235 0.000 0.850 409 V CB 1.401 33.132 31.823 -0.154 0.000 0.992 409 V HN 0.302 nan 8.190 nan 0.000 0.426 410 S N 2.585 117.880 115.700 -0.675 0.000 2.592 410 S HA 0.230 4.700 4.470 -0.001 0.000 0.271 410 S C 1.005 175.434 174.600 -0.285 0.000 1.326 410 S CA -0.348 57.566 58.200 -0.477 0.000 1.024 410 S CB 0.409 63.319 63.200 -0.484 0.000 0.921 410 S HN 0.790 nan 8.310 nan 0.000 0.527 411 H N 2.212 121.256 119.070 -0.043 0.000 2.551 411 H HA 0.211 4.766 4.556 -0.001 0.000 0.266 411 H C -0.151 175.164 175.328 -0.021 0.000 0.977 411 H CA 0.466 56.503 56.048 -0.019 0.000 1.163 411 H CB 0.174 29.953 29.762 0.029 0.000 1.381 411 H HN 0.422 nan 8.280 nan 0.000 0.581 412 N N 0.922 119.658 118.700 0.060 0.000 2.354 412 N HA 0.149 4.889 4.740 -0.001 0.000 0.287 412 N C -0.896 174.591 175.510 -0.039 0.000 1.016 412 N CA -0.374 52.682 53.050 0.010 0.000 0.871 412 N CB 2.800 41.287 38.487 -0.001 0.000 1.299 412 N HN 0.108 nan 8.380 nan 0.000 0.482 413 L N 3.119 124.322 121.223 -0.034 0.000 2.268 413 L HA 0.393 4.733 4.340 -0.001 0.000 0.289 413 L C -1.074 175.779 176.870 -0.029 0.000 1.064 413 L CA -0.432 54.391 54.840 -0.028 0.000 0.824 413 L CB 0.322 42.369 42.059 -0.020 0.000 1.202 413 L HN 0.203 nan 8.230 nan 0.000 0.433 414 V N 5.746 125.645 119.914 -0.025 0.000 2.443 414 V HA 0.477 4.597 4.120 -0.001 0.000 0.272 414 V C 0.892 177.046 176.094 0.100 0.000 1.002 414 V CA -0.043 62.226 62.300 -0.052 0.000 0.840 414 V CB 0.404 32.054 31.823 -0.287 0.000 1.042 414 V HN 1.029 nan 8.190 nan 0.000 0.446 415 G N 4.980 113.846 108.800 0.110 0.000 2.661 415 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.327 415 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.327 415 G C 0.451 175.440 174.900 0.148 0.000 1.320 415 G CA 1.047 46.233 45.100 0.143 0.000 0.997 415 G HN 1.031 nan 8.290 nan 0.000 0.543 416 D N -1.034 119.450 120.400 0.140 0.000 2.388 416 D HA 0.171 4.811 4.640 -0.001 0.000 0.221 416 D C 1.359 177.724 176.300 0.108 0.000 1.133 416 D CA 0.579 54.636 54.000 0.097 0.000 0.831 416 D CB -0.605 40.219 40.800 0.040 0.000 0.962 416 D HN 0.717 nan 8.370 nan 0.000 0.502 417 H N -0.122 118.980 119.070 0.053 0.000 2.353 417 H HA -0.175 4.381 4.556 -0.001 0.000 0.298 417 H C 1.304 176.679 175.328 0.079 0.000 1.103 417 H CA 1.725 57.806 56.048 0.055 0.000 1.293 417 H CB 0.058 29.849 29.762 0.049 0.000 1.372 417 H HN 0.339 nan 8.280 nan 0.000 0.501 418 H N 0.882 120.035 119.070 0.138 0.000 2.389 418 H HA -0.062 4.493 4.556 -0.001 0.000 0.299 418 H C 2.316 177.681 175.328 0.061 0.000 1.081 418 H CA 1.328 57.421 56.048 0.075 0.000 1.345 418 H CB 0.217 30.005 29.762 0.043 0.000 1.393 418 H HN 0.330 nan 8.280 nan 0.000 0.520 419 Q N 0.037 119.891 119.800 0.091 0.000 2.124 419 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 419 Q C 2.099 178.106 176.000 0.011 0.000 0.977 419 Q CA 1.487 57.317 55.803 0.046 0.000 0.850 419 Q CB 0.096 28.878 28.738 0.073 0.000 0.901 419 Q HN 0.432 nan 8.270 nan 0.000 0.429 420 K N 0.308 120.713 120.400 0.009 0.000 2.026 420 K HA -0.169 4.151 4.320 -0.001 0.000 0.208 420 K C 2.044 178.645 176.600 0.001 0.000 1.048 420 K CA 0.999 57.286 56.287 0.000 0.000 0.929 420 K CB -0.225 32.256 32.500 -0.031 0.000 0.713 420 K HN 0.067 nan 8.250 nan 0.000 0.439 421 L N 0.977 122.185 121.223 -0.025 0.000 2.012 421 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 421 L C 2.079 178.910 176.870 -0.066 0.000 1.073 421 L CA 1.796 56.627 54.840 -0.015 0.000 0.748 421 L CB -0.299 41.716 42.059 -0.074 0.000 0.891 421 L HN 0.189 nan 8.230 nan 0.000 0.431 422 M N -0.638 118.816 119.600 -0.244 0.000 2.229 422 M HA -0.109 4.371 4.480 -0.001 0.000 0.264 422 M C 2.551 178.744 176.300 -0.178 0.000 1.063 422 M CA 1.639 56.730 55.300 -0.348 0.000 1.114 422 M CB -1.652 30.738 32.600 -0.348 0.000 1.387 422 M HN 0.633 nan 8.290 nan 0.000 0.420 423 S N 0.731 116.449 115.700 0.031 0.000 2.383 423 S HA -0.144 4.326 4.470 -0.001 0.000 0.229 423 S C 1.709 176.358 174.600 0.080 0.000 1.030 423 S CA 1.352 59.634 58.200 0.135 0.000 1.002 423 S CB -0.597 62.660 63.200 0.095 0.000 0.829 423 S HN 0.489 nan 8.310 nan 0.000 0.467 424 N N 0.685 119.416 118.700 0.051 0.000 2.171 424 N HA -0.002 4.738 4.740 -0.001 0.000 0.184 424 N C 1.469 176.951 175.510 -0.047 0.000 1.021 424 N CA 1.294 54.392 53.050 0.080 0.000 0.854 424 N CB -0.506 38.106 38.487 0.208 0.000 0.994 424 N HN 0.529 nan 8.380 nan 0.000 0.426 425 F N 1.651 121.327 119.950 -0.457 0.000 2.091 425 F HA -0.204 4.323 4.527 -0.001 0.000 0.299 425 F C 1.815 177.293 175.800 -0.536 0.000 1.103 425 F CA 1.517 59.013 58.000 -0.841 0.000 1.228 425 F CB -0.397 38.042 39.000 -0.935 0.000 0.984 425 F HN -0.140 nan 8.300 nan 0.000 0.477 426 F N 0.501 120.344 119.950 -0.179 0.000 2.163 426 F HA 0.042 4.569 4.527 -0.001 0.000 0.297 426 F C 2.614 178.244 175.800 -0.283 0.000 1.094 426 F CA 0.978 58.816 58.000 -0.270 0.000 1.290 426 F CB -1.671 37.281 39.000 -0.080 0.000 1.017 426 F HN 0.059 nan 8.300 nan 0.000 0.483 427 A N -0.362 122.458 122.820 -0.000 0.000 1.930 427 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 427 A C 2.221 179.748 177.584 -0.096 0.000 1.175 427 A CA 1.197 53.213 52.037 -0.035 0.000 0.627 427 A CB -0.557 18.445 19.000 0.002 0.000 0.815 427 A HN 0.287 nan 8.150 nan 0.000 0.443 428 Q N -0.272 119.450 119.800 -0.131 0.000 2.084 428 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 428 Q C 2.416 178.223 176.000 -0.322 0.000 0.978 428 Q CA 2.221 57.979 55.803 -0.075 0.000 0.844 428 Q CB -0.933 27.911 28.738 0.178 0.000 0.898 428 Q HN 0.882 nan 8.270 nan 0.000 0.426 429 T N -1.766 112.395 114.554 -0.655 0.000 2.857 429 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 429 T C 1.726 176.171 174.700 -0.426 0.000 1.048 429 T CA 1.273 62.964 62.100 -0.682 0.000 1.139 429 T CB -0.081 68.297 68.868 -0.817 0.000 0.874 429 T HN 0.321 nan 8.240 nan 0.000 0.455 430 E N 1.483 121.512 120.200 -0.286 0.000 2.051 430 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 430 E C 2.478 179.013 176.600 -0.110 0.000 0.991 430 E CA 1.116 57.436 56.400 -0.133 0.000 0.799 430 E CB -0.464 29.221 29.700 -0.025 0.000 0.748 430 E HN 0.643 nan 8.360 nan 0.000 0.449 431 A N 1.023 123.790 122.820 -0.088 0.000 1.877 431 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 431 A C 2.228 179.822 177.584 0.016 0.000 1.186 431 A CA 1.233 53.246 52.037 -0.040 0.000 0.620 431 A CB -0.743 18.243 19.000 -0.023 0.000 0.822 431 A HN 0.309 nan 8.150 nan 0.000 0.443 432 L N -0.861 120.349 121.223 -0.022 0.000 2.046 432 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 432 L C 3.085 179.834 176.870 -0.202 0.000 1.077 432 L CA 1.154 55.938 54.840 -0.093 0.000 0.747 432 L CB -0.477 41.438 42.059 -0.240 0.000 0.896 432 L HN 0.463 nan 8.230 nan 0.000 0.432 433 A N -0.404 122.147 122.820 -0.450 0.000 1.872 433 A HA -0.121 4.199 4.320 -0.001 0.000 0.214 433 A C 1.773 178.984 177.584 -0.622 0.000 1.187 433 A CA 1.447 53.043 52.037 -0.736 0.000 0.614 433 A CB -0.471 17.633 19.000 -1.495 0.000 0.826 433 A HN 0.362 nan 8.150 nan 0.000 0.442 434 F N -0.975 118.938 119.950 -0.061 0.000 2.717 434 F HA 0.419 4.946 4.527 -0.000 0.000 0.295 434 F C 1.767 177.566 175.800 -0.002 0.000 1.117 434 F CA -0.011 57.962 58.000 -0.045 0.000 1.361 434 F CB -0.761 38.178 39.000 -0.101 0.000 1.112 434 F HN 0.455 nan 8.300 nan 0.000 0.594 435 G N 1.269 110.150 108.800 0.135 0.000 2.575 435 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.267 435 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.267 435 G C -0.279 174.682 174.900 0.101 0.000 1.264 435 G CA 0.087 45.281 45.100 0.156 0.000 0.935 435 G HN 0.442 nan 8.290 nan 0.000 0.568 436 K N -0.514 119.983 120.400 0.162 0.000 2.589 436 K HA 0.539 4.859 4.320 -0.001 0.000 0.253 436 K C 0.320 177.007 176.600 0.145 0.000 0.974 436 K CA 0.095 56.449 56.287 0.113 0.000 0.835 436 K CB 1.206 33.741 32.500 0.060 0.000 1.272 436 K HN 1.257 nan 8.250 nan 0.000 0.444 437 S N 2.397 118.152 115.700 0.091 0.000 2.624 437 S HA 0.347 4.816 4.470 -0.001 0.000 0.263 437 S C 1.367 176.005 174.600 0.064 0.000 1.287 437 S CA 0.039 58.283 58.200 0.073 0.000 0.990 437 S CB 1.501 64.731 63.200 0.050 0.000 0.950 437 S HN 0.710 nan 8.310 nan 0.000 0.561 438 A N 0.840 123.686 122.820 0.044 0.000 1.940 438 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 438 A C 2.334 179.935 177.584 0.028 0.000 1.176 438 A CA 1.746 53.802 52.037 0.031 0.000 0.631 438 A CB -1.169 17.838 19.000 0.012 0.000 0.814 438 A HN 0.921 nan 8.150 nan 0.000 0.446 439 Q N -0.789 119.026 119.800 0.025 0.000 2.061 439 Q HA -0.165 4.175 4.340 -0.001 0.000 0.204 439 Q C 2.461 178.474 176.000 0.021 0.000 0.984 439 Q CA 1.537 57.351 55.803 0.019 0.000 0.846 439 Q CB -0.386 28.361 28.738 0.015 0.000 0.902 439 Q HN 0.706 nan 8.270 nan 0.000 0.421 440 A N 0.191 123.027 122.820 0.026 0.000 1.898 440 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 440 A C 2.313 179.916 177.584 0.031 0.000 1.181 440 A CA 1.218 53.269 52.037 0.024 0.000 0.620 440 A CB -0.582 18.432 19.000 0.023 0.000 0.819 440 A HN 0.210 nan 8.150 nan 0.000 0.442 441 V N -0.078 119.864 119.914 0.047 0.000 2.358 441 V HA -0.309 3.811 4.120 -0.001 0.000 0.246 441 V C 2.704 178.823 176.094 0.042 0.000 1.047 441 V CA 2.282 64.616 62.300 0.056 0.000 1.035 441 V CB -0.818 31.050 31.823 0.076 0.000 0.658 441 V HN 0.761 nan 8.190 nan 0.000 0.452 442 Q N -0.122 119.698 119.800 0.033 0.000 2.096 442 Q HA -0.231 4.109 4.340 -0.001 0.000 0.204 442 Q C 2.268 178.281 176.000 0.022 0.000 0.982 442 Q CA 2.083 57.902 55.803 0.026 0.000 0.850 442 Q CB -0.308 28.443 28.738 0.020 0.000 0.901 442 Q HN 0.641 nan 8.270 nan 0.000 0.422 443 A N 0.773 123.604 122.820 0.019 0.000 1.877 443 A HA -0.246 4.073 4.320 -0.001 0.000 0.216 443 A C 1.814 179.407 177.584 0.014 0.000 1.186 443 A CA 1.742 53.787 52.037 0.013 0.000 0.620 443 A CB -0.610 18.395 19.000 0.009 0.000 0.822 443 A HN 0.535 nan 8.150 nan 0.000 0.443 444 E N -0.235 119.976 120.200 0.018 0.000 2.058 444 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 444 E C 1.989 178.601 176.600 0.021 0.000 0.997 444 E CA 1.315 57.726 56.400 0.018 0.000 0.801 444 E CB -0.322 29.392 29.700 0.024 0.000 0.746 444 E HN 0.636 nan 8.360 nan 0.000 0.450 445 L N 0.828 122.067 121.223 0.027 0.000 2.093 445 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 445 L C 2.315 179.197 176.870 0.021 0.000 1.085 445 L CA 1.112 55.969 54.840 0.028 0.000 0.755 445 L CB -0.352 41.728 42.059 0.035 0.000 0.904 445 L HN 0.127 nan 8.230 nan 0.000 0.435 446 E N 0.053 120.264 120.200 0.018 0.000 2.110 446 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 446 E C 2.044 178.651 176.600 0.011 0.000 0.988 446 E CA 0.895 57.303 56.400 0.014 0.000 0.804 446 E CB 0.109 29.817 29.700 0.012 0.000 0.745 446 E HN 0.306 nan 8.360 nan 0.000 0.458 447 K N 0.334 120.740 120.400 0.010 0.000 2.217 447 K HA -0.011 4.309 4.320 -0.001 0.000 0.202 447 K C 1.716 178.321 176.600 0.008 0.000 1.051 447 K CA 0.946 57.238 56.287 0.007 0.000 0.952 447 K CB -0.279 32.224 32.500 0.006 0.000 0.736 447 K HN 0.068 nan 8.250 nan 0.000 0.453 448 A N 0.491 123.318 122.820 0.011 0.000 2.235 448 A HA 0.296 4.616 4.320 -0.001 0.000 0.208 448 A C 1.345 178.935 177.584 0.011 0.000 1.172 448 A CA 0.892 52.936 52.037 0.011 0.000 0.786 448 A CB -0.545 18.464 19.000 0.015 0.000 0.804 448 A HN 0.376 nan 8.150 nan 0.000 0.479 449 G N -0.610 108.196 108.800 0.010 0.000 2.136 449 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.242 449 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.242 449 G C 0.117 175.023 174.900 0.011 0.000 0.989 449 G CA 0.282 45.388 45.100 0.010 0.000 0.682 449 G HN 0.410 nan 8.290 nan 0.000 0.522 450 K N 1.269 121.677 120.400 0.015 0.000 2.355 450 K HA 0.405 4.725 4.320 -0.001 0.000 0.270 450 K C 1.259 177.869 176.600 0.016 0.000 1.003 450 K CA 0.493 56.790 56.287 0.017 0.000 0.957 450 K CB 1.075 33.589 32.500 0.022 0.000 0.939 450 K HN 0.691 nan 8.250 nan 0.000 0.482 451 S N 0.438 116.148 115.700 0.016 0.000 2.600 451 S HA 0.205 4.675 4.470 -0.001 0.000 0.265 451 S C 1.384 175.995 174.600 0.017 0.000 1.325 451 S CA -0.065 58.144 58.200 0.015 0.000 1.002 451 S CB 1.208 64.416 63.200 0.014 0.000 0.921 451 S HN 0.559 nan 8.310 nan 0.000 0.554 452 A N 2.025 124.854 122.820 0.015 0.000 1.908 452 A HA 0.079 4.398 4.320 -0.001 0.000 0.218 452 A C 2.411 180.006 177.584 0.019 0.000 1.181 452 A CA 1.999 54.046 52.037 0.016 0.000 0.627 452 A CB -1.707 17.300 19.000 0.013 0.000 0.818 452 A HN 1.384 nan 8.150 nan 0.000 0.445 453 A N -0.398 122.433 122.820 0.019 0.000 1.898 453 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 453 A C 1.904 179.506 177.584 0.030 0.000 1.181 453 A CA 1.593 53.644 52.037 0.023 0.000 0.620 453 A CB -0.513 18.499 19.000 0.020 0.000 0.819 453 A HN 0.629 nan 8.150 nan 0.000 0.442 454 E N -0.225 119.991 120.200 0.028 0.000 2.077 454 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 454 E C 1.858 178.484 176.600 0.044 0.000 0.989 454 E CA 1.324 57.745 56.400 0.034 0.000 0.800 454 E CB -0.293 29.423 29.700 0.027 0.000 0.746 454 E HN 0.705 nan 8.360 nan 0.000 0.452 455 I N 0.949 121.542 120.570 0.037 0.000 2.202 455 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 455 I C 2.559 178.702 176.117 0.044 0.000 1.091 455 I CA 0.953 62.277 61.300 0.040 0.000 1.368 455 I CB -0.346 37.672 38.000 0.030 0.000 1.058 455 I HN 0.091 nan 8.210 nan 0.000 0.410 456 A N 0.746 123.587 122.820 0.036 0.000 1.940 456 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 456 A C 2.491 180.104 177.584 0.048 0.000 1.176 456 A CA 1.948 54.003 52.037 0.031 0.000 0.631 456 A CB -0.776 18.237 19.000 0.023 0.000 0.814 456 A HN 0.459 nan 8.150 nan 0.000 0.446 457 A N -1.301 121.561 122.820 0.071 0.000 1.968 457 A HA 0.132 4.451 4.320 -0.001 0.000 0.217 457 A C 2.028 179.739 177.584 0.212 0.000 1.169 457 A CA 1.633 53.742 52.037 0.120 0.000 0.638 457 A CB -0.304 18.755 19.000 0.099 0.000 0.812 457 A HN 0.616 nan 8.150 nan 0.000 0.446 458 L N -1.091 120.235 121.223 0.172 0.000 2.357 458 L HA 0.145 4.485 4.340 -0.001 0.000 0.211 458 L C 2.178 179.169 176.870 0.202 0.000 1.075 458 L CA 1.036 56.021 54.840 0.241 0.000 0.830 458 L CB -0.207 41.936 42.059 0.139 0.000 0.996 458 L HN 0.077 nan 8.230 nan 0.000 0.467 459 V N 1.844 121.814 119.914 0.093 0.000 2.278 459 V HA -0.246 3.874 4.120 -0.001 0.000 0.251 459 V C -0.277 175.808 176.094 -0.015 0.000 1.062 459 V CA 2.562 64.889 62.300 0.044 0.000 1.038 459 V CB -1.929 29.906 31.823 0.020 0.000 0.646 459 V HN 0.380 nan 8.190 nan 0.000 0.447 460 P HA -0.131 nan 4.420 nan 0.000 0.220 460 P C 1.476 178.581 177.300 -0.324 0.000 1.148 460 P CA 1.538 64.466 63.100 -0.286 0.000 0.803 460 P CB -0.191 31.218 31.700 -0.485 0.000 0.782 461 F N 0.338 120.273 119.950 -0.025 0.000 2.502 461 F HA 0.033 4.560 4.527 -0.001 0.000 0.298 461 F C 2.002 177.756 175.800 -0.077 0.000 1.111 461 F CA 1.051 59.022 58.000 -0.048 0.000 1.445 461 F CB -0.673 38.311 39.000 -0.027 0.000 1.081 461 F HN -0.108 nan 8.300 nan 0.000 0.558 462 K N -0.124 120.338 120.400 0.103 0.000 2.374 462 K HA 0.189 4.509 4.320 -0.001 0.000 0.196 462 K C 0.137 176.794 176.600 0.095 0.000 1.023 462 K CA 0.040 56.386 56.287 0.098 0.000 1.103 462 K CB 0.548 33.138 32.500 0.149 0.000 0.848 462 K HN -0.040 nan 8.250 nan 0.000 0.528 463 V N 1.834 121.751 119.914 0.005 0.000 2.649 463 V HA 0.140 4.259 4.120 -0.001 0.000 0.292 463 V C -0.275 175.794 176.094 -0.042 0.000 1.055 463 V CA -0.061 62.275 62.300 0.059 0.000 1.023 463 V CB 0.388 32.217 31.823 0.009 0.000 0.992 463 V HN 0.030 nan 8.190 nan 0.000 0.480 464 F N 2.731 122.702 119.950 0.036 0.000 2.403 464 F HA 0.385 4.911 4.527 -0.000 0.000 0.355 464 F C 1.291 177.123 175.800 0.053 0.000 1.119 464 F CA -0.410 57.622 58.000 0.054 0.000 1.007 464 F CB 1.477 40.509 39.000 0.054 0.000 1.194 464 F HN 0.565 nan 8.300 nan 0.000 0.443 465 E N 2.414 122.707 120.200 0.156 0.000 2.268 465 E HA 0.088 4.438 4.350 -0.001 0.000 0.195 465 E C 1.552 178.225 176.600 0.122 0.000 0.995 465 E CA 0.576 57.042 56.400 0.110 0.000 0.836 465 E CB 0.041 29.777 29.700 0.060 0.000 0.763 465 E HN 0.952 nan 8.360 nan 0.000 0.491 466 G N 1.830 110.722 108.800 0.154 0.000 2.601 466 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.252 466 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.252 466 G C 0.030 174.953 174.900 0.038 0.000 1.294 466 G CA -0.154 45.004 45.100 0.097 0.000 0.912 466 G HN 0.271 nan 8.290 nan 0.000 0.574 467 N N -1.526 117.168 118.700 -0.009 0.000 2.741 467 N HA -0.170 4.570 4.740 -0.001 0.000 0.250 467 N C 0.329 175.807 175.510 -0.054 0.000 1.115 467 N CA 1.876 54.918 53.050 -0.014 0.000 0.724 467 N CB -0.534 37.975 38.487 0.036 0.000 1.090 467 N HN 0.770 nan 8.380 nan 0.000 0.558 468 R N 1.119 121.563 120.500 -0.092 0.000 2.198 468 R HA 0.348 4.688 4.340 -0.001 0.000 0.339 468 R C -2.022 174.178 176.300 -0.167 0.000 1.020 468 R CA -1.419 54.603 56.100 -0.130 0.000 0.864 468 R CB 0.859 31.082 30.300 -0.128 0.000 1.105 468 R HN 0.121 nan 8.270 nan 0.000 0.463 469 P HA 0.224 nan 4.420 nan 0.000 0.282 469 P C -0.904 176.338 177.300 -0.096 0.000 1.249 469 P CA -0.382 62.643 63.100 -0.125 0.000 0.806 469 P CB 1.701 33.331 31.700 -0.116 0.000 0.984 470 T N -0.987 113.552 114.554 -0.024 0.000 2.868 470 T HA 0.455 4.804 4.350 -0.001 0.000 0.306 470 T C -0.601 174.169 174.700 0.117 0.000 1.224 470 T CA -0.914 61.208 62.100 0.037 0.000 1.012 470 T CB 1.158 69.975 68.868 -0.084 0.000 1.221 470 T HN 0.228 nan 8.240 nan 0.000 0.499 471 N N 0.845 119.657 118.700 0.187 0.000 2.405 471 N HA 0.604 5.343 4.740 -0.001 0.000 0.299 471 N C -1.065 174.572 175.510 0.212 0.000 1.075 471 N CA -0.609 52.574 53.050 0.223 0.000 0.884 471 N CB 2.063 40.702 38.487 0.254 0.000 1.194 471 N HN 0.636 nan 8.380 nan 0.000 0.491 472 S N 1.335 117.156 115.700 0.201 0.000 2.498 472 S HA 0.543 5.013 4.470 -0.001 0.000 0.317 472 S C -0.017 174.779 174.600 0.327 0.000 1.090 472 S CA -0.584 57.752 58.200 0.227 0.000 1.089 472 S CB 0.630 63.876 63.200 0.076 0.000 0.997 472 S HN 0.332 nan 8.310 nan 0.000 0.470 473 I N 3.861 124.659 120.570 0.380 0.000 2.354 473 I HA 0.368 4.538 4.170 -0.001 0.000 0.286 473 I C -0.955 175.339 176.117 0.296 0.000 1.007 473 I CA -0.674 60.800 61.300 0.290 0.000 1.167 473 I CB 1.285 39.411 38.000 0.209 0.000 1.320 473 I HN 0.343 nan 8.210 nan 0.000 0.458 474 L N 9.358 130.738 121.223 0.262 0.000 2.305 474 L HA 0.632 4.972 4.340 -0.001 0.000 0.284 474 L C -0.348 176.599 176.870 0.128 0.000 1.013 474 L CA -0.434 54.514 54.840 0.180 0.000 0.819 474 L CB 1.564 43.785 42.059 0.270 0.000 1.227 474 L HN 0.416 nan 8.230 nan 0.000 0.417 475 V N 2.314 122.270 119.914 0.069 0.000 2.769 475 V HA 0.551 4.671 4.120 -0.001 0.000 0.312 475 V C 1.121 177.252 176.094 0.061 0.000 1.058 475 V CA -0.631 61.714 62.300 0.075 0.000 0.952 475 V CB 1.618 33.478 31.823 0.061 0.000 1.019 475 V HN 0.890 nan 8.190 nan 0.000 0.445 476 K N 1.342 121.783 120.400 0.068 0.000 2.032 476 K HA -0.069 4.250 4.320 -0.001 0.000 0.209 476 K C 0.796 177.407 176.600 0.018 0.000 1.048 476 K CA 2.055 58.372 56.287 0.049 0.000 0.927 476 K CB 0.051 32.581 32.500 0.050 0.000 0.712 476 K HN 0.887 nan 8.250 nan 0.000 0.441 477 Q N -0.245 119.570 119.800 0.024 0.000 2.479 477 Q HA 0.217 4.557 4.340 -0.001 0.000 0.276 477 Q C -1.642 174.405 176.000 0.078 0.000 0.989 477 Q CA -0.758 55.044 55.803 -0.001 0.000 0.864 477 Q CB 1.353 30.052 28.738 -0.065 0.000 1.444 477 Q HN 0.053 nan 8.270 nan 0.000 0.388 478 I N 4.047 124.698 120.570 0.135 0.000 2.347 478 I HA 0.179 4.349 4.170 -0.001 0.000 0.294 478 I C 0.513 176.812 176.117 0.302 0.000 1.090 478 I CA 0.470 61.876 61.300 0.176 0.000 1.314 478 I CB -0.482 37.616 38.000 0.163 0.000 1.423 478 I HN 0.737 nan 8.210 nan 0.000 0.503 479 T N 4.106 118.757 114.554 0.162 0.000 2.910 479 T HA 0.519 4.869 4.350 -0.001 0.000 0.287 479 T C -2.092 172.520 174.700 -0.147 0.000 1.050 479 T CA -1.880 60.253 62.100 0.055 0.000 1.011 479 T CB 2.182 71.097 68.868 0.079 0.000 1.195 479 T HN 0.120 nan 8.240 nan 0.000 0.540 480 P HA -0.063 nan 4.420 nan 0.000 0.215 480 P C 1.631 178.872 177.300 -0.098 0.000 1.153 480 P CA 0.978 63.920 63.100 -0.264 0.000 0.853 480 P CB 0.069 31.563 31.700 -0.344 0.000 0.788 481 R N -0.219 120.243 120.500 -0.063 0.000 2.073 481 R HA -0.116 4.223 4.340 -0.001 0.000 0.234 481 R C 2.148 178.488 176.300 0.066 0.000 1.134 481 R CA 2.457 58.568 56.100 0.018 0.000 0.952 481 R CB -1.005 29.315 30.300 0.034 0.000 0.850 481 R HN 0.237 nan 8.270 nan 0.000 0.433 482 T N -0.533 114.059 114.554 0.064 0.000 2.867 482 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 482 T C 1.863 176.609 174.700 0.076 0.000 1.057 482 T CA 0.975 63.127 62.100 0.086 0.000 1.136 482 T CB -0.266 68.655 68.868 0.087 0.000 0.874 482 T HN 0.206 nan 8.240 nan 0.000 0.466 483 L N 2.178 123.436 121.223 0.059 0.000 2.046 483 L HA 0.262 4.602 4.340 -0.001 0.000 0.208 483 L C 2.686 179.652 176.870 0.160 0.000 1.077 483 L CA 1.981 56.871 54.840 0.082 0.000 0.747 483 L CB -1.247 40.825 42.059 0.021 0.000 0.896 483 L HN 0.370 nan 8.230 nan 0.000 0.432 484 G N -0.821 108.075 108.800 0.159 0.000 2.440 484 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.218 484 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.218 484 G C 1.382 176.412 174.900 0.217 0.000 1.154 484 G CA 1.071 46.345 45.100 0.290 0.000 0.767 484 G HN 0.590 nan 8.290 nan 0.000 0.552 485 N N 0.146 118.915 118.700 0.115 0.000 2.043 485 N HA -0.082 4.657 4.740 -0.001 0.000 0.193 485 N C 2.210 177.706 175.510 -0.023 0.000 1.037 485 N CA 1.051 54.091 53.050 -0.017 0.000 0.851 485 N CB -0.223 38.218 38.487 -0.076 0.000 1.027 485 N HN 0.251 nan 8.380 nan 0.000 0.422 486 L N 0.738 122.013 121.223 0.087 0.000 2.056 486 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 486 L C 2.173 179.283 176.870 0.400 0.000 1.078 486 L CA 0.936 55.884 54.840 0.181 0.000 0.749 486 L CB -0.402 41.804 42.059 0.246 0.000 0.901 486 L HN 0.212 nan 8.230 nan 0.000 0.433 487 I N -0.069 120.800 120.570 0.499 0.000 2.179 487 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 487 I C 2.807 179.247 176.117 0.538 0.000 1.088 487 I CA 1.222 62.921 61.300 0.665 0.000 1.357 487 I CB -0.516 37.802 38.000 0.531 0.000 1.051 487 I HN 0.187 nan 8.210 nan 0.000 0.409 488 A N 0.499 123.510 122.820 0.317 0.000 1.933 488 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 488 A C 2.422 179.942 177.584 -0.107 0.000 1.175 488 A CA 1.732 53.780 52.037 0.019 0.000 0.628 488 A CB -0.656 18.291 19.000 -0.089 0.000 0.814 488 A HN 0.467 nan 8.150 nan 0.000 0.444 489 M N -1.733 117.834 119.600 -0.056 0.000 2.080 489 M HA -0.209 4.271 4.480 -0.001 0.000 0.260 489 M C 2.011 178.205 176.300 -0.177 0.000 1.068 489 M CA 2.019 57.218 55.300 -0.168 0.000 1.109 489 M CB -0.297 32.122 32.600 -0.302 0.000 1.342 489 M HN 0.483 nan 8.290 nan 0.000 0.405 490 Y N 0.903 121.167 120.300 -0.060 0.000 2.242 490 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 490 Y C 2.270 178.158 175.900 -0.020 0.000 1.137 490 Y CA 1.762 59.743 58.100 -0.198 0.000 1.181 490 Y CB -0.600 37.380 38.460 -0.800 0.000 0.989 490 Y HN 0.375 nan 8.280 nan 0.000 0.527 491 E N -0.810 119.560 120.200 0.283 0.000 2.070 491 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 491 E C 1.883 178.592 176.600 0.182 0.000 1.004 491 E CA 1.603 58.193 56.400 0.318 0.000 0.805 491 E CB -0.237 29.621 29.700 0.263 0.000 0.744 491 E HN 0.575 nan 8.360 nan 0.000 0.451 492 H N 0.385 119.477 119.070 0.035 0.000 2.428 492 H HA -0.021 4.535 4.556 -0.001 0.000 0.296 492 H C 2.006 177.258 175.328 -0.127 0.000 1.062 492 H CA 1.024 56.910 56.048 -0.270 0.000 1.350 492 H CB -0.138 29.010 29.762 -1.023 0.000 1.403 492 H HN 0.110 nan 8.280 nan 0.000 0.533 493 K N 1.068 121.488 120.400 0.033 0.000 2.032 493 K HA -0.132 4.188 4.320 -0.001 0.000 0.209 493 K C 2.138 178.788 176.600 0.082 0.000 1.048 493 K CA 1.384 57.693 56.287 0.037 0.000 0.927 493 K CB -0.186 32.331 32.500 0.028 0.000 0.712 493 K HN 0.134 nan 8.250 nan 0.000 0.441 494 I N 0.571 121.238 120.570 0.163 0.000 2.163 494 I HA -0.279 3.891 4.170 -0.001 0.000 0.243 494 I C 2.320 178.555 176.117 0.197 0.000 1.085 494 I CA 1.225 62.637 61.300 0.186 0.000 1.347 494 I CB -0.343 37.819 38.000 0.269 0.000 1.044 494 I HN 0.195 nan 8.210 nan 0.000 0.408 495 F N 1.297 121.351 119.950 0.174 0.000 2.095 495 F HA -0.220 4.307 4.527 -0.001 0.000 0.298 495 F C 2.358 178.249 175.800 0.152 0.000 1.104 495 F CA 1.692 59.835 58.000 0.238 0.000 1.232 495 F CB -0.567 38.681 39.000 0.412 0.000 0.987 495 F HN -0.218 nan 8.300 nan 0.000 0.475 496 V N 0.694 120.639 119.914 0.051 0.000 2.332 496 V HA -0.351 3.769 4.120 -0.001 0.000 0.248 496 V C 2.380 178.291 176.094 -0.305 0.000 1.055 496 V CA 2.368 64.590 62.300 -0.130 0.000 1.038 496 V CB -0.926 30.897 31.823 -0.000 0.000 0.651 496 V HN 0.433 nan 8.190 nan 0.000 0.450 497 Q N -0.020 119.575 119.800 -0.342 0.000 2.084 497 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 497 Q C 2.413 178.049 176.000 -0.607 0.000 0.978 497 Q CA 1.685 57.036 55.803 -0.752 0.000 0.844 497 Q CB -0.564 27.628 28.738 -0.910 0.000 0.898 497 Q HN 0.723 nan 8.270 nan 0.000 0.426 498 G N 0.221 108.896 108.800 -0.209 0.000 2.432 498 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.219 498 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.219 498 G C 1.508 176.352 174.900 -0.093 0.000 1.135 498 G CA 0.719 45.817 45.100 -0.003 0.000 0.767 498 G HN 0.181 nan 8.290 nan 0.000 0.550 499 V N 1.177 120.921 119.914 -0.284 0.000 2.261 499 V HA -0.148 3.972 4.120 -0.001 0.000 0.246 499 V C 2.780 178.786 176.094 -0.147 0.000 1.047 499 V CA 1.615 63.760 62.300 -0.259 0.000 1.015 499 V CB -0.391 31.192 31.823 -0.400 0.000 0.642 499 V HN 0.388 nan 8.190 nan 0.000 0.446 500 I N -1.317 119.132 120.570 -0.203 0.000 2.286 500 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 500 I C 2.215 178.319 176.117 -0.021 0.000 1.115 500 I CA 1.454 62.668 61.300 -0.142 0.000 1.392 500 I CB -0.377 37.491 38.000 -0.220 0.000 1.065 500 I HN 0.416 nan 8.210 nan 0.000 0.418 501 W N 1.034 122.340 121.300 0.010 0.000 2.961 501 W HA -0.016 4.644 4.660 -0.000 0.000 0.240 501 W C 0.992 177.564 176.519 0.088 0.000 1.305 501 W CA 0.315 57.704 57.345 0.073 0.000 1.465 501 W CB -1.502 28.070 29.460 0.187 0.000 1.135 501 W HN 0.339 nan 8.180 nan 0.000 0.688 502 N N 0.650 119.449 118.700 0.164 0.000 2.758 502 N HA -0.225 4.515 4.740 -0.001 0.000 0.248 502 N C -0.389 175.117 175.510 -0.007 0.000 1.076 502 N CA 1.245 54.323 53.050 0.047 0.000 0.696 502 N CB -1.587 36.933 38.487 0.055 0.000 0.979 502 N HN 0.341 nan 8.380 nan 0.000 0.550 503 I N -4.808 115.768 120.570 0.010 0.000 3.170 503 I HA 0.701 4.871 4.170 -0.001 0.000 0.312 503 I C -0.439 175.600 176.117 -0.130 0.000 1.085 503 I CA -1.162 60.109 61.300 -0.048 0.000 0.999 503 I CB 0.937 39.011 38.000 0.123 0.000 1.233 503 I HN -0.191 nan 8.210 nan 0.000 0.467 504 F N 1.383 121.422 119.950 0.148 0.000 2.361 504 F HA 0.383 4.910 4.527 -0.001 0.000 0.364 504 F C 1.211 177.053 175.800 0.071 0.000 1.120 504 F CA -0.241 57.853 58.000 0.158 0.000 1.102 504 F CB 1.439 40.565 39.000 0.210 0.000 1.183 504 F HN 0.425 nan 8.300 nan 0.000 0.476 505 S N 2.280 118.034 115.700 0.089 0.000 2.562 505 S HA 0.026 4.496 4.470 -0.001 0.000 0.221 505 S C 1.047 175.371 174.600 -0.460 0.000 0.975 505 S CA 0.442 58.462 58.200 -0.301 0.000 0.918 505 S CB -0.187 62.611 63.200 -0.671 0.000 0.772 505 S HN 0.489 nan 8.310 nan 0.000 0.531 506 F N 1.474 121.612 119.950 0.313 0.000 2.682 506 F HA 0.289 4.816 4.527 -0.000 0.000 0.308 506 F C 0.553 176.444 175.800 0.153 0.000 1.093 506 F CA -1.069 57.081 58.000 0.250 0.000 1.244 506 F CB 0.104 39.242 39.000 0.229 0.000 1.052 506 F HN 0.086 nan 8.300 nan 0.000 0.573 507 D N -0.415 120.109 120.400 0.207 0.000 2.494 507 D HA 0.389 5.028 4.640 -0.001 0.000 0.259 507 D C -0.069 176.202 176.300 -0.050 0.000 1.109 507 D CA -0.605 53.401 54.000 0.010 0.000 1.040 507 D CB 0.555 41.354 40.800 -0.002 0.000 1.175 507 D HN 0.029 nan 8.370 nan 0.000 0.584 508 Q N -0.780 118.869 119.800 -0.251 0.000 3.311 508 Q HA 0.098 4.438 4.340 -0.001 0.000 0.254 508 Q C -0.805 175.082 176.000 -0.189 0.000 0.716 508 Q CA -0.528 55.186 55.803 -0.148 0.000 0.965 508 Q CB -1.351 27.323 28.738 -0.108 0.000 1.538 508 Q HN 0.734 nan 8.270 nan 0.000 0.372 509 W N 0.960 122.276 121.300 0.026 0.000 2.525 509 W HA 0.090 4.750 4.660 -0.001 0.000 0.259 509 W C 1.947 178.467 176.519 0.002 0.000 1.253 509 W CA 1.197 58.554 57.345 0.020 0.000 1.262 509 W CB 0.184 29.664 29.460 0.033 0.000 1.122 509 W HN 0.608 nan 8.180 nan 0.000 0.607 510 G N 0.323 109.210 108.800 0.146 0.000 2.776 510 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.209 510 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.209 510 G C 1.288 176.206 174.900 0.030 0.000 1.145 510 G CA 1.067 46.202 45.100 0.057 0.000 0.791 510 G HN 0.304 nan 8.290 nan 0.000 0.530 511 V N -3.022 116.907 119.914 0.024 0.000 3.506 511 V HA 0.198 4.318 4.120 -0.001 0.000 0.263 511 V C 1.886 177.997 176.094 0.027 0.000 1.203 511 V CA 1.045 63.347 62.300 0.003 0.000 1.133 511 V CB 0.018 31.823 31.823 -0.030 0.000 0.802 511 V HN 0.343 nan 8.190 nan 0.000 0.459 512 E N 0.596 120.839 120.200 0.073 0.000 2.107 512 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 512 E C 2.033 178.675 176.600 0.070 0.000 0.982 512 E CA 1.383 57.837 56.400 0.090 0.000 0.809 512 E CB -0.129 29.675 29.700 0.173 0.000 0.756 512 E HN 0.544 nan 8.360 nan 0.000 0.459 513 L N 0.974 122.237 121.223 0.067 0.000 2.017 513 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 513 L C 2.238 179.128 176.870 0.033 0.000 1.073 513 L CA 2.184 57.055 54.840 0.051 0.000 0.745 513 L CB -0.919 41.170 42.059 0.049 0.000 0.894 513 L HN 0.083 nan 8.230 nan 0.000 0.432 514 G N -0.822 107.991 108.800 0.021 0.000 2.442 514 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.219 514 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.219 514 G C 1.727 176.630 174.900 0.005 0.000 1.141 514 G CA 0.952 46.055 45.100 0.005 0.000 0.763 514 G HN 0.455 nan 8.290 nan 0.000 0.554 515 K N -0.295 120.112 120.400 0.012 0.000 2.026 515 K HA -0.111 4.209 4.320 -0.001 0.000 0.208 515 K C 2.650 179.261 176.600 0.019 0.000 1.048 515 K CA 1.260 57.554 56.287 0.011 0.000 0.929 515 K CB -0.123 32.385 32.500 0.014 0.000 0.713 515 K HN 0.167 nan 8.250 nan 0.000 0.439 516 Q N 0.646 120.464 119.800 0.030 0.000 2.084 516 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 516 Q C 2.274 178.294 176.000 0.034 0.000 0.978 516 Q CA 1.311 57.135 55.803 0.034 0.000 0.844 516 Q CB -0.214 28.549 28.738 0.042 0.000 0.898 516 Q HN 0.411 nan 8.270 nan 0.000 0.426 517 L N -0.018 121.224 121.223 0.033 0.000 2.093 517 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 517 L C 2.434 179.318 176.870 0.024 0.000 1.085 517 L CA 0.915 55.779 54.840 0.039 0.000 0.755 517 L CB -0.634 41.445 42.059 0.032 0.000 0.904 517 L HN 0.109 nan 8.230 nan 0.000 0.435 518 A N 0.267 123.089 122.820 0.003 0.000 1.930 518 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 518 A C 2.014 179.599 177.584 0.002 0.000 1.175 518 A CA 1.587 53.617 52.037 -0.012 0.000 0.627 518 A CB -0.471 18.516 19.000 -0.021 0.000 0.815 518 A HN 0.403 nan 8.150 nan 0.000 0.443 519 N N 0.034 118.743 118.700 0.014 0.000 2.166 519 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 519 N C 1.779 177.306 175.510 0.029 0.000 1.019 519 N CA 1.319 54.380 53.050 0.018 0.000 0.856 519 N CB -0.310 38.189 38.487 0.021 0.000 0.993 519 N HN 0.473 nan 8.380 nan 0.000 0.426 520 Q N 0.340 120.166 119.800 0.044 0.000 2.123 520 Q HA 0.086 4.425 4.340 -0.001 0.000 0.199 520 Q C 2.222 178.276 176.000 0.089 0.000 0.966 520 Q CA 0.594 56.436 55.803 0.066 0.000 0.845 520 Q CB -0.037 28.755 28.738 0.089 0.000 0.907 520 Q HN 0.476 nan 8.270 nan 0.000 0.439 521 I N 0.254 120.867 120.570 0.073 0.000 2.406 521 I HA -0.214 3.956 4.170 -0.001 0.000 0.249 521 I C 2.172 178.303 176.117 0.023 0.000 1.122 521 I CA 0.170 61.498 61.300 0.048 0.000 1.431 521 I CB -0.156 37.815 38.000 -0.049 0.000 1.087 521 I HN 0.122 nan 8.210 nan 0.000 0.424 522 L N 2.678 123.908 121.223 0.011 0.000 1.997 522 L HA -0.157 4.183 4.340 -0.001 0.000 0.216 522 L C -0.475 176.412 176.870 0.028 0.000 1.074 522 L CA 2.497 57.343 54.840 0.009 0.000 0.763 522 L CB -1.725 40.338 42.059 0.005 0.000 0.890 522 L HN 0.115 nan 8.230 nan 0.000 0.434 523 P HA -0.153 nan 4.420 nan 0.000 0.222 523 P C 1.108 178.437 177.300 0.048 0.000 1.147 523 P CA 1.352 64.474 63.100 0.036 0.000 0.790 523 P CB -0.127 31.590 31.700 0.030 0.000 0.780 524 E N -0.335 119.901 120.200 0.061 0.000 2.347 524 E HA -0.017 4.333 4.350 -0.001 0.000 0.196 524 E C 1.730 178.384 176.600 0.091 0.000 1.008 524 E CA 0.486 56.932 56.400 0.077 0.000 0.852 524 E CB -0.345 29.419 29.700 0.107 0.000 0.783 524 E HN 0.327 nan 8.360 nan 0.000 0.505 525 L N 0.023 121.301 121.223 0.092 0.000 2.558 525 L HA 0.136 4.475 4.340 -0.001 0.000 0.225 525 L C 2.290 179.251 176.870 0.151 0.000 1.128 525 L CA -0.004 54.931 54.840 0.159 0.000 0.868 525 L CB -0.153 41.986 42.059 0.134 0.000 1.006 525 L HN 0.100 nan 8.230 nan 0.000 0.454 526 A N 0.675 123.550 122.820 0.092 0.000 1.898 526 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 526 A C 0.972 178.589 177.584 0.055 0.000 1.181 526 A CA 1.435 53.513 52.037 0.068 0.000 0.620 526 A CB -0.355 18.672 19.000 0.045 0.000 0.819 526 A HN 0.507 nan 8.150 nan 0.000 0.442 527 D N -1.741 118.689 120.400 0.050 0.000 2.549 527 D HA 0.358 4.997 4.640 -0.001 0.000 0.270 527 D C 0.791 177.109 176.300 0.030 0.000 1.181 527 D CA 0.190 54.210 54.000 0.032 0.000 1.070 527 D CB 0.566 41.381 40.800 0.025 0.000 1.154 527 D HN 0.086 nan 8.370 nan 0.000 0.602 528 S N -1.810 113.897 115.700 0.012 0.000 2.575 528 S HA 0.377 4.847 4.470 -0.001 0.000 0.215 528 S C 0.963 175.567 174.600 0.007 0.000 0.966 528 S CA -0.252 57.948 58.200 0.000 0.000 0.911 528 S CB -0.583 62.609 63.200 -0.014 0.000 0.780 528 S HN 0.748 nan 8.310 nan 0.000 0.514 529 A N 1.759 124.589 122.820 0.016 0.000 2.498 529 A HA 0.662 4.981 4.320 -0.001 0.000 0.239 529 A C 0.761 178.360 177.584 0.025 0.000 1.068 529 A CA -0.021 52.026 52.037 0.017 0.000 0.766 529 A CB -0.373 18.638 19.000 0.018 0.000 1.003 529 A HN 0.871 nan 8.150 nan 0.000 0.497 530 A N 1.935 124.766 122.820 0.018 0.000 2.498 530 A HA 0.476 4.796 4.320 -0.001 0.000 0.239 530 A C 0.109 177.714 177.584 0.035 0.000 1.068 530 A CA -0.072 51.978 52.037 0.022 0.000 0.766 530 A CB -0.056 18.950 19.000 0.011 0.000 1.003 530 A HN 1.089 nan 8.150 nan 0.000 0.497 531 V N 2.495 122.440 119.914 0.052 0.000 2.435 531 V HA 0.497 4.617 4.120 -0.001 0.000 0.290 531 V C 1.082 177.218 176.094 0.071 0.000 1.030 531 V CA 0.540 62.885 62.300 0.076 0.000 0.881 531 V CB 1.439 33.334 31.823 0.120 0.000 0.983 531 V HN 1.164 nan 8.190 nan 0.000 0.445 532 T N -1.712 112.873 114.554 0.052 0.000 3.144 532 T HA 0.013 4.363 4.350 -0.001 0.000 0.290 532 T C 1.274 175.974 174.700 0.001 0.000 0.966 532 T CA 0.438 62.557 62.100 0.033 0.000 0.907 532 T CB 0.172 69.047 68.868 0.011 0.000 1.152 532 T HN 0.627 nan 8.240 nan 0.000 0.532 533 S N 0.492 116.166 115.700 -0.042 0.000 2.562 533 S HA 0.136 4.605 4.470 -0.001 0.000 0.221 533 S C 0.672 175.039 174.600 -0.388 0.000 0.975 533 S CA -0.281 57.784 58.200 -0.225 0.000 0.918 533 S CB -0.524 62.484 63.200 -0.321 0.000 0.772 533 S HN 0.691 nan 8.310 nan 0.000 0.531 534 H N 1.477 120.547 119.070 -0.000 0.000 3.117 534 H HA 0.350 4.906 4.556 -0.001 0.000 0.288 534 H C -0.338 174.989 175.328 -0.002 0.000 1.604 534 H CA -0.503 55.544 56.048 -0.002 0.000 1.488 534 H CB 0.102 29.862 29.762 -0.003 0.000 1.813 534 H HN 0.378 nan 8.280 nan 0.000 0.817 535 D N -0.246 120.247 120.400 0.154 0.000 2.363 535 D HA -0.067 4.572 4.640 -0.001 0.000 0.240 535 D C 1.040 177.379 176.300 0.065 0.000 1.236 535 D CA 0.219 54.265 54.000 0.076 0.000 0.927 535 D CB 0.955 41.787 40.800 0.054 0.000 1.150 535 D HN 0.531 nan 8.370 nan 0.000 0.458 536 S N -0.071 115.651 115.700 0.037 0.000 2.419 536 S HA -0.216 4.254 4.470 -0.001 0.000 0.233 536 S C 1.992 176.603 174.600 0.019 0.000 1.016 536 S CA 1.249 59.465 58.200 0.026 0.000 0.974 536 S CB -0.331 62.878 63.200 0.015 0.000 0.786 536 S HN 0.566 nan 8.310 nan 0.000 0.492 537 S N 1.489 117.197 115.700 0.013 0.000 2.345 537 S HA -0.099 4.371 4.470 -0.001 0.000 0.219 537 S C 1.984 176.577 174.600 -0.011 0.000 1.031 537 S CA 1.764 59.965 58.200 0.001 0.000 0.984 537 S CB -1.274 61.924 63.200 -0.003 0.000 0.874 537 S HN 0.676 nan 8.310 nan 0.000 0.451 538 T N 2.986 117.528 114.554 -0.021 0.000 2.684 538 T HA -0.078 4.271 4.350 -0.001 0.000 0.267 538 T C 1.761 176.426 174.700 -0.057 0.000 1.036 538 T CA 1.580 63.631 62.100 -0.083 0.000 1.148 538 T CB -0.641 68.130 68.868 -0.161 0.000 0.863 538 T HN 0.414 nan 8.240 nan 0.000 0.436 539 N N 1.088 119.803 118.700 0.024 0.000 2.084 539 N HA -0.054 4.686 4.740 -0.001 0.000 0.190 539 N C 2.218 177.741 175.510 0.022 0.000 1.030 539 N CA 1.436 54.518 53.050 0.053 0.000 0.849 539 N CB -0.975 37.555 38.487 0.072 0.000 1.012 539 N HN 0.503 nan 8.380 nan 0.000 0.423 540 G N 1.249 110.054 108.800 0.010 0.000 2.418 540 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.217 540 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.217 540 G C 1.727 176.625 174.900 -0.003 0.000 1.158 540 G CA 0.420 45.520 45.100 -0.001 0.000 0.771 540 G HN 0.224 nan 8.290 nan 0.000 0.545 541 L N -0.013 121.210 121.223 -0.001 0.000 2.027 541 L HA 0.014 4.354 4.340 -0.001 0.000 0.206 541 L C 2.859 179.756 176.870 0.046 0.000 1.074 541 L CA 0.709 55.557 54.840 0.013 0.000 0.745 541 L CB -0.319 41.732 42.059 -0.013 0.000 0.898 541 L HN 0.183 nan 8.230 nan 0.000 0.433 542 I N -0.084 120.498 120.570 0.021 0.000 2.226 542 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 542 I C 2.176 178.383 176.117 0.149 0.000 1.100 542 I CA 1.094 62.442 61.300 0.080 0.000 1.374 542 I CB -0.399 37.616 38.000 0.025 0.000 1.057 542 I HN 0.355 nan 8.210 nan 0.000 0.413 543 N N 1.095 119.834 118.700 0.064 0.000 2.188 543 N HA -0.111 4.629 4.740 -0.001 0.000 0.184 543 N C 1.880 177.368 175.510 -0.036 0.000 1.018 543 N CA 1.529 54.593 53.050 0.023 0.000 0.858 543 N CB -0.322 38.165 38.487 -0.000 0.000 0.989 543 N HN 0.351 nan 8.380 nan 0.000 0.426 544 A N 0.630 123.412 122.820 -0.063 0.000 1.930 544 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 544 A C 2.065 179.515 177.584 -0.224 0.000 1.175 544 A CA 0.769 52.657 52.037 -0.248 0.000 0.627 544 A CB -0.864 18.003 19.000 -0.222 0.000 0.815 544 A HN 0.303 nan 8.150 nan 0.000 0.443 545 F N 1.004 120.909 119.950 -0.074 0.000 2.102 545 F HA -0.164 4.362 4.527 -0.001 0.000 0.298 545 F C 2.070 177.899 175.800 0.048 0.000 1.105 545 F CA 2.198 60.240 58.000 0.071 0.000 1.239 545 F CB -0.202 38.835 39.000 0.062 0.000 0.991 545 F HN 0.109 nan 8.300 nan 0.000 0.474 546 K N 0.323 120.648 120.400 -0.125 0.000 2.097 546 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 546 K C 2.321 178.807 176.600 -0.190 0.000 1.049 546 K CA 1.149 57.301 56.287 -0.225 0.000 0.933 546 K CB -0.554 31.919 32.500 -0.046 0.000 0.717 546 K HN 0.391 nan 8.250 nan 0.000 0.442 547 A N 0.935 123.651 122.820 -0.173 0.000 1.930 547 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 547 A C 1.848 179.373 177.584 -0.099 0.000 1.175 547 A CA 1.155 53.092 52.037 -0.166 0.000 0.627 547 A CB -0.548 18.309 19.000 -0.238 0.000 0.815 547 A HN 0.142 nan 8.150 nan 0.000 0.443 548 F N -0.047 119.838 119.950 -0.107 0.000 2.186 548 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 548 F C 2.472 178.186 175.800 -0.143 0.000 1.090 548 F CA 1.104 59.045 58.000 -0.098 0.000 1.307 548 F CB -0.502 38.460 39.000 -0.065 0.000 1.019 548 F HN 0.137 nan 8.300 nan 0.000 0.489 549 R N -0.107 120.353 120.500 -0.066 0.000 2.115 549 R HA 0.065 4.404 4.340 -0.001 0.000 0.230 549 R C 1.256 177.506 176.300 -0.082 0.000 1.111 549 R CA 0.604 56.614 56.100 -0.150 0.000 0.976 549 R CB -0.427 29.666 30.300 -0.344 0.000 0.870 549 R HN 0.196 nan 8.270 nan 0.000 0.445 550 A N 0.000 122.779 122.820 -0.068 0.000 2.254 550 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 550 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 550 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486