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 1fk9_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI XXXXXTKWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTPDKKHQK EPPFLWMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLXKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLEKEP IVGAETFYVD XXXXXXXXXX DATA SEQUENCE XAGYVTNRGR QKVVTLTDTT NQKTELQAIY LALQDSGLEV NIVTDSQYAL DATA SEQUENCE GIIQAQPDQS ESELVNQIIE QLIKKEKVYL AWVPAH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.462 177.300 0.269 0.000 1.155 4 P CA 0.000 63.221 63.100 0.202 0.000 0.800 4 P CB 0.000 31.876 31.700 0.294 0.000 0.726 5 I N 3.261 123.976 120.570 0.241 0.000 2.764 5 I HA 0.258 4.442 4.170 0.022 0.000 0.294 5 I C 0.960 177.139 176.117 0.104 0.000 1.045 5 I CA -0.651 60.745 61.300 0.160 0.000 1.340 5 I CB 0.360 38.394 38.000 0.056 0.000 1.436 5 I HN 0.184 nan 8.210 nan 0.000 0.567 6 E N 1.707 121.953 120.200 0.076 0.000 2.373 6 E HA 0.337 4.701 4.350 0.022 0.000 0.263 6 E C -0.477 176.149 176.600 0.043 0.000 1.073 6 E CA -0.778 55.657 56.400 0.058 0.000 0.894 6 E CB 0.419 30.147 29.700 0.046 0.000 1.008 6 E HN 0.689 nan 8.360 nan 0.000 0.420 7 T N -0.828 113.753 114.554 0.045 0.000 2.909 7 T HA 0.296 4.660 4.350 0.022 0.000 0.289 7 T C 0.136 174.860 174.700 0.039 0.000 1.005 7 T CA -0.978 61.148 62.100 0.043 0.000 1.084 7 T CB 1.144 70.044 68.868 0.052 0.000 0.975 7 T HN 0.304 nan 8.240 nan 0.000 0.509 8 V N 5.600 125.539 119.914 0.042 0.000 2.385 8 V HA 0.328 4.462 4.120 0.022 0.000 0.269 8 V C -1.707 174.428 176.094 0.069 0.000 1.043 8 V CA -1.836 60.495 62.300 0.053 0.000 0.906 8 V CB 0.598 32.459 31.823 0.064 0.000 0.995 8 V HN 0.859 nan 8.190 nan 0.000 0.467 9 P HA 0.161 nan 4.420 nan 0.000 0.267 9 P C -0.733 176.600 177.300 0.055 0.000 1.205 9 P CA 0.255 63.391 63.100 0.059 0.000 0.765 9 P CB 1.271 32.998 31.700 0.044 0.000 0.828 10 V N 4.369 124.309 119.914 0.042 0.000 2.864 10 V HA 0.556 4.690 4.120 0.022 0.000 0.314 10 V C 0.277 176.381 176.094 0.017 0.000 1.073 10 V CA -0.634 61.635 62.300 -0.050 0.000 0.956 10 V CB 2.265 33.896 31.823 -0.319 0.000 1.023 10 V HN 0.513 nan 8.190 nan 0.000 0.435 11 K N 2.078 122.460 120.400 -0.029 0.000 2.532 11 K HA 0.634 4.968 4.320 0.022 0.000 0.265 11 K C -1.377 175.267 176.600 0.074 0.000 0.948 11 K CA -0.837 55.503 56.287 0.089 0.000 0.842 11 K CB 2.686 35.202 32.500 0.026 0.000 1.392 11 K HN 0.407 nan 8.250 nan 0.000 0.436 12 L N 1.535 122.809 121.223 0.085 0.000 2.479 12 L HA 0.273 4.626 4.340 0.022 0.000 0.248 12 L C 0.514 177.370 176.870 -0.023 0.000 1.205 12 L CA -0.400 54.449 54.840 0.016 0.000 0.817 12 L CB 0.199 42.153 42.059 -0.175 0.000 1.162 12 L HN 0.382 nan 8.230 nan 0.000 0.486 13 K N 1.491 121.876 120.400 -0.026 0.000 2.355 13 K HA 0.143 4.476 4.320 0.022 0.000 0.270 13 K C -2.190 174.396 176.600 -0.023 0.000 1.003 13 K CA -1.348 54.919 56.287 -0.033 0.000 0.957 13 K CB 0.140 32.627 32.500 -0.022 0.000 0.939 13 K HN 0.334 nan 8.250 nan 0.000 0.482 14 P HA -0.106 nan 4.420 nan 0.000 0.265 14 P C 0.610 177.911 177.300 0.002 0.000 1.193 14 P CA 0.705 63.801 63.100 -0.007 0.000 0.765 14 P CB 0.904 32.599 31.700 -0.009 0.000 0.823 15 G N 2.596 111.403 108.800 0.012 0.000 2.640 15 G HA2 -0.288 3.686 3.960 0.022 0.000 0.226 15 G HA3 -0.288 3.686 3.960 0.022 0.000 0.226 15 G C 0.455 175.370 174.900 0.025 0.000 1.222 15 G CA 0.283 45.395 45.100 0.020 0.000 0.729 15 G HN 0.514 nan 8.290 nan 0.000 0.516 16 M N 1.064 120.672 119.600 0.014 0.000 2.219 16 M HA 0.464 4.957 4.480 0.022 0.000 0.307 16 M C 0.303 176.610 176.300 0.011 0.000 1.116 16 M CA 0.682 55.990 55.300 0.014 0.000 1.181 16 M CB 0.383 32.983 32.600 0.001 0.000 1.410 16 M HN 0.425 nan 8.290 nan 0.000 0.454 17 D N -0.348 120.073 120.400 0.036 0.000 2.533 17 D HA 0.547 5.201 4.640 0.022 0.000 0.247 17 D C -0.423 175.893 176.300 0.028 0.000 1.056 17 D CA -0.257 53.796 54.000 0.089 0.000 1.054 17 D CB 1.418 42.346 40.800 0.213 0.000 1.400 17 D HN 0.646 nan 8.370 nan 0.000 0.533 18 G N 0.427 109.255 108.800 0.046 0.000 2.614 18 G HA2 0.340 4.313 3.960 0.022 0.000 0.239 18 G HA3 0.340 4.313 3.960 0.022 0.000 0.239 18 G C -2.177 172.836 174.900 0.188 0.000 1.240 18 G CA -0.803 44.164 45.100 -0.221 0.000 0.842 18 G HN 0.424 nan 8.290 nan 0.000 0.584 19 P HA 0.204 nan 4.420 nan 0.000 0.271 19 P C -0.807 176.650 177.300 0.262 0.000 1.216 19 P CA -0.015 63.197 63.100 0.187 0.000 0.776 19 P CB 1.069 32.858 31.700 0.148 0.000 0.881 20 K N 1.706 122.212 120.400 0.177 0.000 3.084 20 K HA 0.300 4.633 4.320 0.022 0.000 0.172 20 K C -0.579 176.058 176.600 0.061 0.000 1.078 20 K CA -0.561 55.800 56.287 0.124 0.000 0.875 20 K CB 1.359 33.915 32.500 0.094 0.000 1.064 20 K HN 0.210 nan 8.250 nan 0.000 0.597 21 V N 1.180 121.119 119.914 0.040 0.000 2.439 21 V HA 0.232 4.365 4.120 0.022 0.000 0.282 21 V C -0.043 176.006 176.094 -0.075 0.000 1.039 21 V CA -0.679 61.616 62.300 -0.007 0.000 0.913 21 V CB 1.223 33.039 31.823 -0.012 0.000 0.983 21 V HN 0.445 nan 8.190 nan 0.000 0.460 22 K N 4.594 124.955 120.400 -0.065 0.000 2.524 22 K HA -0.010 4.324 4.320 0.022 0.000 0.279 22 K C -0.136 176.309 176.600 -0.259 0.000 0.993 22 K CA 0.063 56.295 56.287 -0.092 0.000 1.030 22 K CB 0.460 32.953 32.500 -0.012 0.000 0.891 22 K HN 0.838 nan 8.250 nan 0.000 0.488 23 Q N 5.968 125.631 119.800 -0.230 0.000 2.314 23 Q HA 0.101 4.454 4.340 0.022 0.000 0.257 23 Q C -1.005 174.882 176.000 -0.188 0.000 0.975 23 Q CA -0.382 55.213 55.803 -0.346 0.000 0.933 23 Q CB 0.461 29.091 28.738 -0.180 0.000 1.195 23 Q HN 0.360 nan 8.270 nan 0.000 0.426 24 W N 4.757 126.024 121.300 -0.054 0.000 2.187 24 W HA 0.190 4.864 4.660 0.022 0.000 0.348 24 W C -1.992 174.512 176.519 -0.025 0.000 1.282 24 W CA -2.050 55.264 57.345 -0.051 0.000 1.271 24 W CB -0.805 28.600 29.460 -0.092 0.000 1.170 24 W HN 0.548 nan 8.180 nan 0.000 0.583 25 P HA 0.113 nan 4.420 nan 0.000 0.266 25 P C -0.445 176.936 177.300 0.133 0.000 1.195 25 P CA 0.395 63.572 63.100 0.128 0.000 0.768 25 P CB 0.451 32.208 31.700 0.096 0.000 0.838 26 L N 2.070 123.347 121.223 0.090 0.000 2.410 26 L HA 0.333 4.687 4.340 0.022 0.000 0.270 26 L C 0.422 177.317 176.870 0.043 0.000 0.983 26 L CA -0.750 54.135 54.840 0.075 0.000 0.822 26 L CB 2.065 44.161 42.059 0.062 0.000 1.285 26 L HN 0.266 nan 8.230 nan 0.000 0.409 27 T N 0.588 115.167 114.554 0.042 0.000 2.856 27 T HA -0.070 4.294 4.350 0.022 0.000 0.329 27 T C 1.075 175.784 174.700 0.015 0.000 1.094 27 T CA -0.015 62.108 62.100 0.038 0.000 1.112 27 T CB 0.887 69.792 68.868 0.061 0.000 1.009 27 T HN 0.575 nan 8.240 nan 0.000 0.550 28 E N 0.531 120.745 120.200 0.024 0.000 2.204 28 E HA -0.089 4.275 4.350 0.022 0.000 0.194 28 E C 2.097 178.701 176.600 0.006 0.000 0.989 28 E CA 0.818 57.226 56.400 0.014 0.000 0.824 28 E CB -0.011 29.703 29.700 0.024 0.000 0.756 28 E HN 0.755 nan 8.360 nan 0.000 0.477 29 E N 0.229 120.449 120.200 0.033 0.000 2.152 29 E HA -0.193 4.171 4.350 0.022 0.000 0.192 29 E C 1.296 177.839 176.600 -0.096 0.000 0.983 29 E CA 0.830 57.269 56.400 0.065 0.000 0.818 29 E CB 0.216 30.032 29.700 0.194 0.000 0.758 29 E HN -0.006 nan 8.360 nan 0.000 0.467 30 K N 0.655 120.960 120.400 -0.159 0.000 2.031 30 K HA -0.048 4.286 4.320 0.022 0.000 0.205 30 K C 2.278 178.712 176.600 -0.275 0.000 1.049 30 K CA 0.708 56.769 56.287 -0.376 0.000 0.939 30 K CB -0.436 31.944 32.500 -0.200 0.000 0.717 30 K HN 0.282 nan 8.250 nan 0.000 0.438 31 I N 1.588 122.081 120.570 -0.128 0.000 2.127 31 I HA -0.339 3.845 4.170 0.022 0.000 0.241 31 I C 2.335 178.396 176.117 -0.093 0.000 1.075 31 I CA 1.530 62.783 61.300 -0.079 0.000 1.334 31 I CB -0.296 37.688 38.000 -0.028 0.000 1.040 31 I HN 0.203 nan 8.210 nan 0.000 0.405 32 K N 0.975 121.325 120.400 -0.082 0.000 1.987 32 K HA -0.219 4.114 4.320 0.022 0.000 0.216 32 K C 2.280 178.821 176.600 -0.098 0.000 1.051 32 K CA 1.816 58.070 56.287 -0.057 0.000 0.942 32 K CB -0.505 31.988 32.500 -0.011 0.000 0.722 32 K HN 0.318 nan 8.250 nan 0.000 0.444 33 A N 1.584 124.283 122.820 -0.202 0.000 1.958 33 A HA -0.213 4.121 4.320 0.022 0.000 0.221 33 A C 2.184 179.643 177.584 -0.209 0.000 1.178 33 A CA 1.645 53.524 52.037 -0.263 0.000 0.642 33 A CB -0.847 17.640 19.000 -0.855 0.000 0.816 33 A HN 0.224 nan 8.150 nan 0.000 0.453 34 L N -0.827 120.255 121.223 -0.234 0.000 2.056 34 L HA -0.137 4.216 4.340 0.022 0.000 0.207 34 L C 2.498 179.310 176.870 -0.097 0.000 1.078 34 L CA 1.095 55.837 54.840 -0.163 0.000 0.749 34 L CB -0.583 41.390 42.059 -0.144 0.000 0.901 34 L HN 0.262 nan 8.230 nan 0.000 0.433 35 V N -0.091 119.789 119.914 -0.058 0.000 2.490 35 V HA -0.247 3.886 4.120 0.022 0.000 0.250 35 V C 2.312 178.401 176.094 -0.007 0.000 1.061 35 V CA 1.602 63.897 62.300 -0.008 0.000 1.064 35 V CB -0.496 31.337 31.823 0.018 0.000 0.670 35 V HN 0.467 nan 8.190 nan 0.000 0.461 36 E N 0.088 120.275 120.200 -0.021 0.000 2.046 36 E HA -0.136 4.227 4.350 0.022 0.000 0.190 36 E C 2.210 178.799 176.600 -0.019 0.000 0.982 36 E CA 1.388 57.784 56.400 -0.006 0.000 0.800 36 E CB -0.172 29.530 29.700 0.003 0.000 0.756 36 E HN 0.542 nan 8.360 nan 0.000 0.449 37 I N 0.759 121.303 120.570 -0.043 0.000 2.286 37 I HA -0.277 3.906 4.170 0.022 0.000 0.248 37 I C 2.254 178.323 176.117 -0.080 0.000 1.115 37 I CA 0.656 61.921 61.300 -0.057 0.000 1.392 37 I CB -0.221 37.735 38.000 -0.074 0.000 1.065 37 I HN 0.217 nan 8.210 nan 0.000 0.418 38 C N -0.000 119.229 119.300 -0.117 0.000 2.481 38 C HA -0.042 4.432 4.460 0.022 0.000 0.275 38 C C 2.779 177.722 174.990 -0.079 0.000 1.419 38 C CA 0.903 59.793 59.018 -0.212 0.000 1.773 38 C CB -1.026 26.462 27.740 -0.419 0.000 1.862 38 C HN 0.483 nan 8.230 nan 0.000 0.530 39 T N 0.053 114.614 114.554 0.012 0.000 3.044 39 T HA -0.061 4.303 4.350 0.022 0.000 0.255 39 T C 1.731 176.461 174.700 0.050 0.000 1.073 39 T CA 0.975 63.122 62.100 0.077 0.000 1.125 39 T CB -0.017 68.893 68.868 0.070 0.000 0.908 39 T HN 0.546 nan 8.240 nan 0.000 0.480 40 E N 1.541 121.752 120.200 0.019 0.000 2.112 40 E HA 0.085 4.449 4.350 0.022 0.000 0.190 40 E C 1.926 178.538 176.600 0.021 0.000 0.979 40 E CA 1.060 57.469 56.400 0.014 0.000 0.814 40 E CB -0.227 29.470 29.700 -0.005 0.000 0.762 40 E HN 0.412 nan 8.360 nan 0.000 0.460 41 M N -0.076 119.531 119.600 0.011 0.000 2.476 41 M HA -0.024 4.469 4.480 0.022 0.000 0.262 41 M C 1.959 178.301 176.300 0.071 0.000 1.079 41 M CA 1.173 56.490 55.300 0.029 0.000 1.104 41 M CB 0.041 32.633 32.600 -0.014 0.000 1.409 41 M HN 0.148 nan 8.290 nan 0.000 0.467 42 E N 0.657 120.913 120.200 0.094 0.000 2.340 42 E HA -0.089 4.275 4.350 0.022 0.000 0.194 42 E C 1.934 178.586 176.600 0.086 0.000 0.996 42 E CA 0.426 56.905 56.400 0.131 0.000 0.869 42 E CB 0.358 30.183 29.700 0.208 0.000 0.835 42 E HN 0.321 nan 8.360 nan 0.000 0.493 43 K N 0.427 120.868 120.400 0.069 0.000 2.103 43 K HA -0.112 4.221 4.320 0.022 0.000 0.204 43 K C 1.377 178.008 176.600 0.053 0.000 1.052 43 K CA 1.245 57.562 56.287 0.051 0.000 0.945 43 K CB 0.224 32.748 32.500 0.040 0.000 0.722 43 K HN -0.027 nan 8.250 nan 0.000 0.443 44 E N -1.266 118.970 120.200 0.060 0.000 2.442 44 E HA 0.062 4.425 4.350 0.022 0.000 0.195 44 E C 0.804 177.458 176.600 0.090 0.000 1.030 44 E CA 0.649 57.091 56.400 0.069 0.000 0.869 44 E CB 0.708 30.450 29.700 0.070 0.000 0.857 44 E HN 0.539 nan 8.360 nan 0.000 0.505 45 G N 0.773 109.629 108.800 0.092 0.000 2.225 45 G HA2 -0.370 3.604 3.960 0.022 0.000 0.254 45 G HA3 -0.370 3.604 3.960 0.022 0.000 0.254 45 G C 1.170 176.150 174.900 0.133 0.000 0.988 45 G CA 0.628 45.789 45.100 0.102 0.000 0.625 45 G HN 0.123 nan 8.290 nan 0.000 0.527 46 K N 0.353 120.851 120.400 0.163 0.000 2.144 46 K HA -0.088 4.246 4.320 0.022 0.000 0.209 46 K C 1.691 178.409 176.600 0.196 0.000 1.047 46 K CA 2.010 58.440 56.287 0.238 0.000 0.927 46 K CB -0.453 32.224 32.500 0.295 0.000 0.716 46 K HN 0.998 nan 8.250 nan 0.000 0.454 47 I N -4.366 116.273 120.570 0.115 0.000 3.264 47 I HA 0.450 4.634 4.170 0.022 0.000 0.315 47 I C -0.894 175.316 176.117 0.155 0.000 1.154 47 I CA -0.993 60.367 61.300 0.100 0.000 0.962 47 I CB 2.618 40.637 38.000 0.031 0.000 1.265 47 I HN -0.308 nan 8.210 nan 0.000 0.463 48 S N 0.900 116.694 115.700 0.156 0.000 2.537 48 S HA 0.373 4.856 4.470 0.022 0.000 0.270 48 S C -1.019 173.532 174.600 -0.083 0.000 1.142 48 S CA -0.811 57.431 58.200 0.070 0.000 0.870 48 S CB 2.041 65.255 63.200 0.023 0.000 1.112 48 S HN 0.623 nan 8.310 nan 0.000 0.466 49 K N 2.477 122.716 120.400 -0.267 0.000 2.368 49 K HA 0.429 4.763 4.320 0.022 0.000 0.282 49 K C -0.348 176.074 176.600 -0.298 0.000 1.035 49 K CA -0.077 55.898 56.287 -0.519 0.000 0.973 49 K CB 0.100 32.294 32.500 -0.510 0.000 0.957 49 K HN 0.617 nan 8.250 nan 0.000 0.474 50 I N -0.138 120.251 120.570 -0.301 0.000 2.934 50 I HA 0.593 4.777 4.170 0.022 0.000 0.306 50 I C 0.209 176.218 176.117 -0.180 0.000 1.110 50 I CA -1.229 59.955 61.300 -0.193 0.000 1.019 50 I CB 1.969 39.878 38.000 -0.152 0.000 1.227 50 I HN 0.572 nan 8.210 nan 0.000 0.434 51 G N 2.321 111.041 108.800 -0.133 0.000 2.572 51 G HA2 0.441 4.414 3.960 0.022 0.000 0.261 51 G HA3 0.441 4.414 3.960 0.022 0.000 0.261 51 G C -2.264 172.571 174.900 -0.108 0.000 1.197 51 G CA -1.350 43.681 45.100 -0.115 0.000 0.870 51 G HN 0.592 nan 8.290 nan 0.000 0.548 52 P HA 0.052 nan 4.420 nan 0.000 0.269 52 P C 0.888 178.136 177.300 -0.087 0.000 1.376 52 P CA 0.497 63.544 63.100 -0.089 0.000 0.775 52 P CB 0.105 31.759 31.700 -0.077 0.000 1.345 53 E N -1.587 118.560 120.200 -0.089 0.000 2.299 53 E HA -0.084 4.280 4.350 0.022 0.000 0.193 53 E C 0.970 177.503 176.600 -0.112 0.000 0.998 53 E CA 0.209 56.556 56.400 -0.090 0.000 0.851 53 E CB -0.614 29.039 29.700 -0.078 0.000 0.795 53 E HN -0.048 nan 8.360 nan 0.000 0.492 54 N N 2.377 121.012 118.700 -0.108 0.000 2.421 54 N HA 0.032 4.785 4.740 0.022 0.000 0.260 54 N C -1.577 173.842 175.510 -0.152 0.000 1.173 54 N CA -1.482 51.501 53.050 -0.112 0.000 0.960 54 N CB 1.009 39.458 38.487 -0.063 0.000 1.273 54 N HN 0.123 nan 8.380 nan 0.000 0.497 55 P HA -0.033 nan 4.420 nan 0.000 0.242 55 P C -0.573 176.543 177.300 -0.308 0.000 1.197 55 P CA 0.483 63.390 63.100 -0.323 0.000 0.765 55 P CB -0.019 31.437 31.700 -0.407 0.000 0.936 56 Y N 0.795 121.079 120.300 -0.027 0.000 2.403 56 Y HA 0.551 5.115 4.550 0.023 0.000 0.323 56 Y C 0.903 176.806 175.900 0.005 0.000 1.226 56 Y CA -0.714 57.390 58.100 0.007 0.000 1.235 56 Y CB 0.787 39.260 38.460 0.021 0.000 1.248 56 Y HN -0.121 nan 8.280 nan 0.000 0.489 57 N N -0.747 118.081 118.700 0.213 0.000 2.647 57 N HA 0.241 4.994 4.740 0.022 0.000 0.259 57 N C -1.874 173.695 175.510 0.097 0.000 1.098 57 N CA -0.391 52.733 53.050 0.123 0.000 0.984 57 N CB 1.686 40.199 38.487 0.044 0.000 1.683 57 N HN 0.578 nan 8.380 nan 0.000 0.501 58 T N 2.667 117.279 114.554 0.097 0.000 2.829 58 T HA 0.625 4.988 4.350 0.022 0.000 0.280 58 T C -2.774 171.830 174.700 -0.161 0.000 0.999 58 T CA -1.803 60.300 62.100 0.004 0.000 0.983 58 T CB 1.161 70.069 68.868 0.067 0.000 0.968 58 T HN 0.380 nan 8.240 nan 0.000 0.446 59 P HA 0.397 nan 4.420 nan 0.000 0.274 59 P C -1.105 175.813 177.300 -0.636 0.000 1.231 59 P CA -0.298 62.341 63.100 -0.768 0.000 0.790 59 P CB 1.002 31.853 31.700 -1.415 0.000 0.951 60 V N 2.639 122.230 119.914 -0.539 0.000 3.130 60 V HA 0.701 4.835 4.120 0.022 0.000 0.310 60 V C -0.029 176.227 176.094 0.270 0.000 1.158 60 V CA -0.619 61.630 62.300 -0.085 0.000 1.029 60 V CB 1.888 33.648 31.823 -0.106 0.000 1.057 60 V HN 0.731 nan 8.190 nan 0.000 0.436 61 F N -0.585 119.392 119.950 0.044 0.000 2.817 61 F HA 0.928 5.468 4.527 0.022 0.000 0.317 61 F C -0.672 175.127 175.800 -0.001 0.000 1.168 61 F CA -1.314 56.756 58.000 0.117 0.000 0.911 61 F CB 1.659 40.861 39.000 0.335 0.000 1.337 61 F HN 0.677 nan 8.300 nan 0.000 0.464 62 A N 1.714 124.524 122.820 -0.017 0.000 2.331 62 A HA 0.862 5.195 4.320 0.022 0.000 0.320 62 A C -1.018 176.582 177.584 0.026 0.000 1.138 62 A CA -0.616 51.296 52.037 -0.209 0.000 0.790 62 A CB 1.309 19.900 19.000 -0.681 0.000 1.206 62 A HN 1.012 nan 8.150 nan 0.000 0.470 70 K N 1.545 121.751 120.400 -0.324 0.000 2.604 70 K HA 0.449 4.783 4.320 0.022 0.000 0.247 70 K C -1.528 174.862 176.600 -0.350 0.000 0.956 70 K CA -0.481 55.653 56.287 -0.256 0.000 0.896 70 K CB 1.745 34.109 32.500 -0.226 0.000 1.131 70 K HN 0.523 nan 8.250 nan 0.000 0.440 71 W N 2.265 123.543 121.300 -0.037 0.000 2.915 71 W HA 0.467 5.140 4.660 0.022 0.000 0.337 71 W C -0.105 176.382 176.519 -0.054 0.000 1.102 71 W CA -0.933 56.387 57.345 -0.042 0.000 1.224 71 W CB 1.964 31.405 29.460 -0.031 0.000 1.416 71 W HN 0.160 nan 8.180 nan 0.000 0.503 72 R N 3.451 124.155 120.500 0.340 0.000 2.626 72 R HA 0.228 4.581 4.340 0.022 0.000 0.274 72 R C -1.369 174.940 176.300 0.015 0.000 1.031 72 R CA -0.863 55.303 56.100 0.109 0.000 0.898 72 R CB 2.357 32.694 30.300 0.061 0.000 1.222 72 R HN 0.624 nan 8.270 nan 0.000 0.455 73 K N 4.441 124.818 120.400 -0.038 0.000 2.284 73 K HA 0.175 4.509 4.320 0.022 0.000 0.287 73 K C -0.984 175.568 176.600 -0.080 0.000 1.081 73 K CA -0.475 55.760 56.287 -0.088 0.000 0.910 73 K CB 0.477 32.914 32.500 -0.106 0.000 1.088 73 K HN 0.312 nan 8.250 nan 0.000 0.478 74 L N 6.149 127.285 121.223 -0.146 0.000 2.298 74 L HA 0.322 4.676 4.340 0.022 0.000 0.284 74 L C -1.297 175.590 176.870 0.028 0.000 1.013 74 L CA -0.556 54.200 54.840 -0.140 0.000 0.824 74 L CB 1.574 43.367 42.059 -0.443 0.000 1.221 74 L HN 0.321 nan 8.230 nan 0.000 0.418 75 V N 3.811 123.708 119.914 -0.027 0.000 2.427 75 V HA 0.344 4.477 4.120 0.022 0.000 0.286 75 V C -0.369 175.584 176.094 -0.234 0.000 1.034 75 V CA -0.700 61.454 62.300 -0.244 0.000 0.893 75 V CB 1.503 32.945 31.823 -0.635 0.000 0.982 75 V HN 0.698 nan 8.190 nan 0.000 0.452 76 D N 3.222 123.522 120.400 -0.167 0.000 2.441 76 D HA 0.291 4.945 4.640 0.022 0.000 0.221 76 D C 0.170 176.405 176.300 -0.109 0.000 1.156 76 D CA -0.177 53.817 54.000 -0.011 0.000 0.896 76 D CB 0.289 41.148 40.800 0.098 0.000 1.028 76 D HN 0.442 nan 8.370 nan 0.000 0.509 77 F N 2.195 122.247 119.950 0.171 0.000 2.660 77 F HA 0.124 4.664 4.527 0.022 0.000 0.302 77 F C 2.257 178.161 175.800 0.172 0.000 1.103 77 F CA -0.468 57.642 58.000 0.184 0.000 1.340 77 F CB 0.217 39.365 39.000 0.247 0.000 1.048 77 F HN 0.330 nan 8.300 nan 0.000 0.551 78 R N 0.284 120.952 120.500 0.281 0.000 2.105 78 R HA -0.228 4.125 4.340 0.022 0.000 0.239 78 R C 1.736 178.148 176.300 0.186 0.000 1.135 78 R CA 1.877 58.100 56.100 0.205 0.000 0.967 78 R CB -0.586 29.807 30.300 0.155 0.000 0.861 78 R HN 0.216 nan 8.270 nan 0.000 0.442 79 E N 1.410 121.720 120.200 0.183 0.000 2.028 79 E HA -0.167 4.196 4.350 0.022 0.000 0.191 79 E C 1.923 178.631 176.600 0.180 0.000 0.988 79 E CA 1.047 57.539 56.400 0.154 0.000 0.799 79 E CB -0.311 29.466 29.700 0.129 0.000 0.755 79 E HN 0.281 nan 8.360 nan 0.000 0.447 80 L N 1.292 122.667 121.223 0.253 0.000 1.990 80 L HA -0.237 4.116 4.340 0.022 0.000 0.213 80 L C 1.588 178.636 176.870 0.296 0.000 1.072 80 L CA 2.181 57.192 54.840 0.285 0.000 0.755 80 L CB -1.115 41.191 42.059 0.411 0.000 0.889 80 L HN 0.146 nan 8.230 nan 0.000 0.432 81 N N 0.144 119.024 118.700 0.300 0.000 2.137 81 N HA -0.220 4.534 4.740 0.022 0.000 0.190 81 N C 1.722 177.299 175.510 0.113 0.000 1.017 81 N CA 1.632 54.788 53.050 0.176 0.000 0.859 81 N CB -0.318 38.241 38.487 0.119 0.000 1.002 81 N HN 0.491 nan 8.380 nan 0.000 0.428 82 K N 0.323 120.791 120.400 0.114 0.000 2.147 82 K HA 0.007 4.341 4.320 0.022 0.000 0.205 82 K C 1.759 178.398 176.600 0.065 0.000 1.049 82 K CA 0.929 57.261 56.287 0.075 0.000 0.936 82 K CB 0.022 32.567 32.500 0.075 0.000 0.722 82 K HN 0.219 nan 8.250 nan 0.000 0.446 83 R N -0.005 120.548 120.500 0.088 0.000 2.280 83 R HA 0.074 4.428 4.340 0.022 0.000 0.195 83 R C 0.296 176.642 176.300 0.077 0.000 0.935 83 R CA 0.282 56.418 56.100 0.060 0.000 1.033 83 R CB 0.360 30.681 30.300 0.035 0.000 0.964 83 R HN -0.047 nan 8.270 nan 0.000 0.489 84 T N 2.798 117.442 114.554 0.150 0.000 2.832 84 T HA 0.040 4.403 4.350 0.022 0.000 0.296 84 T C 0.084 174.793 174.700 0.016 0.000 0.968 84 T CA -0.407 61.809 62.100 0.193 0.000 1.107 84 T CB 1.137 70.216 68.868 0.352 0.000 0.916 84 T HN 0.245 nan 8.240 nan 0.000 0.517 85 Q N 2.877 122.618 119.800 -0.098 0.000 2.523 85 Q HA 0.031 4.384 4.340 0.022 0.000 0.283 85 Q C -0.632 175.125 176.000 -0.405 0.000 1.140 85 Q CA -0.046 55.589 55.803 -0.280 0.000 0.981 85 Q CB 0.444 28.931 28.738 -0.418 0.000 1.310 85 Q HN 0.447 nan 8.270 nan 0.000 0.483 86 D N 0.651 120.850 120.400 -0.335 0.000 2.304 86 D HA 0.297 4.950 4.640 0.022 0.000 0.247 86 D C -0.787 175.256 176.300 -0.429 0.000 1.089 86 D CA 0.067 53.925 54.000 -0.237 0.000 0.910 86 D CB 0.539 41.266 40.800 -0.122 0.000 1.199 86 D HN 0.332 nan 8.370 nan 0.000 0.426 87 F N 0.049 119.923 119.950 -0.127 0.000 2.594 87 F HA 0.264 4.804 4.527 0.022 0.000 0.335 87 F C 0.483 176.281 175.800 -0.003 0.000 1.058 87 F CA -1.178 56.773 58.000 -0.082 0.000 0.981 87 F CB 0.923 39.821 39.000 -0.170 0.000 1.289 87 F HN 0.269 nan 8.300 nan 0.000 0.490 88 W N 3.249 124.594 121.300 0.075 0.000 2.322 88 W HA 0.038 4.711 4.660 0.022 0.000 0.328 88 W C 0.308 176.828 176.519 0.001 0.000 1.395 88 W CA -0.267 57.084 57.345 0.009 0.000 1.267 88 W CB 0.451 29.908 29.460 -0.006 0.000 1.259 88 W HN 0.606 nan 8.180 nan 0.000 0.560 89 E N 4.832 124.541 120.200 -0.819 0.000 2.752 89 E HA -0.096 4.267 4.350 0.022 0.000 0.241 89 E C -0.135 176.157 176.600 -0.512 0.000 1.016 89 E CA -0.114 55.897 56.400 -0.649 0.000 0.952 89 E CB 0.595 29.857 29.700 -0.730 0.000 0.921 89 E HN 0.380 nan 8.360 nan 0.000 0.515 90 V N 7.477 127.223 119.914 -0.280 0.000 2.452 90 V HA -0.127 4.007 4.120 0.022 0.000 0.286 90 V C 0.019 176.000 176.094 -0.189 0.000 0.995 90 V CA 0.739 62.924 62.300 -0.192 0.000 1.116 90 V CB -0.352 31.374 31.823 -0.162 0.000 0.954 90 V HN 0.962 nan 8.190 nan 0.000 0.473 91 Q N 3.898 123.610 119.800 -0.146 0.000 2.473 91 Q HA -0.260 4.094 4.340 0.022 0.000 0.226 91 Q C 0.153 176.086 176.000 -0.111 0.000 1.287 91 Q CA 0.851 56.591 55.803 -0.106 0.000 0.795 91 Q CB -0.900 27.773 28.738 -0.107 0.000 0.896 91 Q HN 0.801 nan 8.270 nan 0.000 0.306 92 L N 3.452 124.604 121.223 -0.118 0.000 1.910 92 L HA 0.015 4.368 4.340 0.022 0.000 0.221 92 L C 1.133 177.984 176.870 -0.031 0.000 1.084 92 L CA 2.838 57.615 54.840 -0.104 0.000 0.779 92 L CB -0.996 40.997 42.059 -0.111 0.000 0.888 92 L HN 0.736 nan 8.230 nan 0.000 0.432 93 G N -0.434 108.373 108.800 0.012 0.000 2.477 93 G HA2 0.509 4.483 3.960 0.022 0.000 0.304 93 G HA3 0.509 4.483 3.960 0.022 0.000 0.304 93 G C -0.611 174.365 174.900 0.127 0.000 1.175 93 G CA -0.110 45.023 45.100 0.056 0.000 0.907 93 G HN 0.496 nan 8.290 nan 0.000 0.509 94 I N -0.558 120.112 120.570 0.168 0.000 2.493 94 I HA 0.508 4.692 4.170 0.022 0.000 0.298 94 I C -2.209 174.028 176.117 0.200 0.000 0.998 94 I CA -2.988 58.486 61.300 0.291 0.000 1.137 94 I CB 1.156 39.405 38.000 0.415 0.000 1.310 94 I HN 0.258 nan 8.210 nan 0.000 0.445 95 P HA 0.041 nan 4.420 nan 0.000 0.262 95 P C -0.334 176.952 177.300 -0.023 0.000 1.199 95 P CA 0.328 63.416 63.100 -0.021 0.000 0.763 95 P CB 0.303 31.877 31.700 -0.210 0.000 0.790 96 H N 6.758 125.708 119.070 -0.201 0.000 2.764 96 H HA 0.053 4.622 4.556 0.022 0.000 0.341 96 H C -1.272 173.773 175.328 -0.471 0.000 1.072 96 H CA -1.592 54.266 56.048 -0.316 0.000 1.444 96 H CB 1.096 30.659 29.762 -0.331 0.000 1.458 96 H HN 0.269 nan 8.280 nan 0.000 0.572 97 P HA -0.182 nan 4.420 nan 0.000 0.217 97 P C 1.007 178.048 177.300 -0.431 0.000 1.148 97 P CA 1.739 64.439 63.100 -0.667 0.000 0.828 97 P CB -0.036 30.964 31.700 -1.166 0.000 0.783 98 A N 0.019 122.679 122.820 -0.267 0.000 2.178 98 A HA 0.034 4.368 4.320 0.022 0.000 0.218 98 A C 2.357 180.126 177.584 0.309 0.000 1.157 98 A CA 1.536 53.623 52.037 0.084 0.000 0.689 98 A CB -1.505 17.621 19.000 0.211 0.000 0.787 98 A HN 0.353 nan 8.150 nan 0.000 0.465 99 G N -0.943 107.847 108.800 -0.017 0.000 3.042 99 G HA2 0.385 4.358 3.960 0.022 0.000 0.212 99 G HA3 0.385 4.358 3.960 0.022 0.000 0.212 99 G C 0.482 175.439 174.900 0.096 0.000 1.166 99 G CA -0.287 44.767 45.100 -0.076 0.000 0.767 99 G HN 0.390 nan 8.290 nan 0.000 0.546 100 L N 0.046 121.300 121.223 0.052 0.000 2.421 100 L HA 0.509 4.863 4.340 0.022 0.000 0.263 100 L C -0.081 176.798 176.870 0.015 0.000 1.122 100 L CA -0.988 53.791 54.840 -0.101 0.000 0.804 100 L CB 0.960 42.745 42.059 -0.456 0.000 1.150 100 L HN -0.169 nan 8.230 nan 0.000 0.457 101 K N 0.991 121.350 120.400 -0.068 0.000 2.098 101 K HA 0.280 4.613 4.320 0.022 0.000 0.261 101 K C -0.420 176.124 176.600 -0.093 0.000 0.987 101 K CA -0.665 55.626 56.287 0.005 0.000 0.916 101 K CB 0.858 33.359 32.500 0.002 0.000 1.039 101 K HN 0.297 nan 8.250 nan 0.000 0.455 102 K N 2.250 122.699 120.400 0.081 0.000 2.401 102 K HA 0.040 4.374 4.320 0.022 0.000 0.278 102 K C -0.559 176.068 176.600 0.044 0.000 1.018 102 K CA 0.110 56.484 56.287 0.145 0.000 0.981 102 K CB 0.450 33.073 32.500 0.206 0.000 0.933 102 K HN 0.236 nan 8.250 nan 0.000 0.477 103 K N 3.351 123.775 120.400 0.039 0.000 2.318 103 K HA 0.161 4.495 4.320 0.022 0.000 0.249 103 K C 0.426 177.047 176.600 0.035 0.000 0.942 103 K CA -0.757 55.543 56.287 0.022 0.000 0.808 103 K CB 1.696 34.196 32.500 -0.001 0.000 1.189 103 K HN 0.454 nan 8.250 nan 0.000 0.428 104 K N 0.751 121.158 120.400 0.013 0.000 2.062 104 K HA 0.002 4.335 4.320 0.022 0.000 0.205 104 K C 0.058 176.631 176.600 -0.045 0.000 1.051 104 K CA 1.017 57.303 56.287 -0.001 0.000 0.941 104 K CB 0.251 32.751 32.500 0.000 0.000 0.719 104 K HN 0.724 nan 8.250 nan 0.000 0.440 105 S N -0.613 115.014 115.700 -0.121 0.000 2.536 105 S HA 0.509 4.992 4.470 0.022 0.000 0.271 105 S C -0.898 173.517 174.600 -0.309 0.000 1.134 105 S CA -0.945 57.092 58.200 -0.272 0.000 0.897 105 S CB 2.103 64.996 63.200 -0.512 0.000 1.094 105 S HN 0.004 nan 8.310 nan 0.000 0.473 106 V N 0.692 120.542 119.914 -0.108 0.000 2.888 106 V HA 0.888 5.021 4.120 0.022 0.000 0.309 106 V C -1.435 174.833 176.094 0.290 0.000 1.114 106 V CA -0.108 62.269 62.300 0.128 0.000 0.940 106 V CB 2.078 34.026 31.823 0.209 0.000 1.021 106 V HN 1.117 nan 8.190 nan 0.000 0.426 107 T N 5.345 120.070 114.554 0.286 0.000 2.881 107 T HA 0.455 4.818 4.350 0.022 0.000 0.291 107 T C -0.794 173.853 174.700 -0.088 0.000 0.990 107 T CA -0.268 61.956 62.100 0.206 0.000 0.976 107 T CB 1.373 70.393 68.868 0.253 0.000 0.970 107 T HN 1.057 nan 8.240 nan 0.000 0.438 108 V N 5.325 125.042 119.914 -0.329 0.000 2.432 108 V HA 0.607 4.740 4.120 0.022 0.000 0.275 108 V C -1.117 174.779 176.094 -0.330 0.000 1.043 108 V CA -0.572 61.334 62.300 -0.656 0.000 0.925 108 V CB 0.595 31.748 31.823 -1.118 0.000 0.985 108 V HN 0.675 nan 8.190 nan 0.000 0.466 109 L N 6.068 127.117 121.223 -0.291 0.000 2.305 109 L HA 0.558 4.911 4.340 0.022 0.000 0.284 109 L C -0.292 176.509 176.870 -0.115 0.000 1.013 109 L CA -0.079 54.677 54.840 -0.140 0.000 0.819 109 L CB 1.556 43.561 42.059 -0.091 0.000 1.227 109 L HN 0.704 nan 8.230 nan 0.000 0.417 110 D N 2.220 122.585 120.400 -0.059 0.000 2.249 110 D HA 0.308 4.962 4.640 0.022 0.000 0.246 110 D C -0.812 175.498 176.300 0.016 0.000 1.114 110 D CA -0.153 53.834 54.000 -0.021 0.000 0.854 110 D CB 1.422 42.217 40.800 -0.008 0.000 1.132 110 D HN 0.161 nan 8.370 nan 0.000 0.461 111 V N 4.243 124.183 119.914 0.044 0.000 2.334 111 V HA 0.544 4.677 4.120 0.022 0.000 0.267 111 V C 1.160 177.279 176.094 0.043 0.000 1.040 111 V CA -0.667 61.679 62.300 0.078 0.000 0.866 111 V CB 0.857 32.788 31.823 0.179 0.000 1.019 111 V HN 0.606 nan 8.190 nan 0.000 0.468 112 G N 2.136 110.963 108.800 0.045 0.000 2.476 112 G HA2 0.457 4.430 3.960 0.022 0.000 0.286 112 G HA3 0.457 4.430 3.960 0.022 0.000 0.286 112 G C 0.167 175.111 174.900 0.072 0.000 1.177 112 G CA -0.216 44.902 45.100 0.030 0.000 0.870 112 G HN 0.735 nan 8.290 nan 0.000 0.528 113 D N -0.670 119.787 120.400 0.096 0.000 2.911 113 D HA -0.252 4.401 4.640 0.022 0.000 0.227 113 D C 1.738 178.195 176.300 0.261 0.000 1.164 113 D CA 0.994 55.132 54.000 0.230 0.000 0.782 113 D CB -0.937 39.955 40.800 0.152 0.000 1.094 113 D HN 0.637 nan 8.370 nan 0.000 0.425 114 A N -0.020 122.856 122.820 0.092 0.000 1.849 114 A HA -0.243 4.090 4.320 0.022 0.000 0.216 114 A C 1.919 179.559 177.584 0.093 0.000 1.225 114 A CA 1.987 53.998 52.037 -0.043 0.000 0.653 114 A CB -1.241 17.375 19.000 -0.639 0.000 0.844 114 A HN 0.570 nan 8.150 nan 0.000 0.453 115 Y N -2.003 118.071 120.300 -0.375 0.000 2.403 115 Y HA -0.135 4.429 4.550 0.022 0.000 0.291 115 Y C 1.196 176.909 175.900 -0.311 0.000 1.143 115 Y CA 0.042 57.921 58.100 -0.368 0.000 1.257 115 Y CB -0.306 37.809 38.460 -0.576 0.000 0.984 115 Y HN 0.301 nan 8.280 nan 0.000 0.550 116 F N -0.566 119.479 119.950 0.159 0.000 2.757 116 F HA 0.088 4.629 4.527 0.022 0.000 0.292 116 F C 0.943 176.831 175.800 0.147 0.000 1.204 116 F CA 0.212 58.299 58.000 0.145 0.000 1.417 116 F CB 0.082 39.143 39.000 0.102 0.000 1.001 116 F HN -0.130 nan 8.300 nan 0.000 0.508 117 S N -1.250 114.612 115.700 0.269 0.000 2.820 117 S HA 0.223 4.706 4.470 0.022 0.000 0.265 117 S C -0.035 174.684 174.600 0.198 0.000 1.043 117 S CA -0.152 58.190 58.200 0.237 0.000 1.245 117 S CB 0.787 64.138 63.200 0.250 0.000 1.187 117 S HN -0.092 nan 8.310 nan 0.000 0.673 118 V N 5.101 125.119 119.914 0.173 0.000 2.378 118 V HA 0.419 4.553 4.120 0.022 0.000 0.288 118 V C -2.328 173.822 176.094 0.093 0.000 1.016 118 V CA -2.160 60.216 62.300 0.125 0.000 0.840 118 V CB 1.559 33.451 31.823 0.115 0.000 0.994 118 V HN 0.117 nan 8.190 nan 0.000 0.431 119 P HA 0.065 nan 4.420 nan 0.000 0.271 119 P C -0.828 176.504 177.300 0.053 0.000 1.233 119 P CA -0.175 62.974 63.100 0.082 0.000 0.795 119 P CB 1.222 32.971 31.700 0.081 0.000 0.936 120 L N 0.870 122.123 121.223 0.050 0.000 2.362 120 L HA 0.407 4.760 4.340 0.022 0.000 0.271 120 L C -0.337 176.565 176.870 0.053 0.000 1.002 120 L CA -0.802 54.049 54.840 0.017 0.000 0.818 120 L CB 1.163 43.209 42.059 -0.023 0.000 1.298 120 L HN 0.210 nan 8.230 nan 0.000 0.420 121 D N 3.091 123.526 120.400 0.059 0.000 2.660 121 D HA -0.122 4.532 4.640 0.022 0.000 0.253 121 D C 1.206 177.587 176.300 0.136 0.000 1.256 121 D CA 0.720 54.780 54.000 0.101 0.000 0.914 121 D CB 0.640 41.508 40.800 0.114 0.000 1.137 121 D HN 0.637 nan 8.370 nan 0.000 0.542 122 E N 3.548 123.805 120.200 0.096 0.000 2.068 122 E HA -0.334 4.030 4.350 0.022 0.000 0.207 122 E C 1.035 177.689 176.600 0.089 0.000 1.032 122 E CA 1.875 58.321 56.400 0.077 0.000 0.839 122 E CB -0.331 29.403 29.700 0.056 0.000 0.758 122 E HN 0.674 nan 8.360 nan 0.000 0.457 123 D N -1.384 119.082 120.400 0.111 0.000 2.362 123 D HA -0.173 4.480 4.640 0.022 0.000 0.215 123 D C 1.347 177.772 176.300 0.209 0.000 0.978 123 D CA 0.725 54.803 54.000 0.130 0.000 0.921 123 D CB -0.285 40.604 40.800 0.149 0.000 0.895 123 D HN 0.237 nan 8.370 nan 0.000 0.494 124 F N -0.436 119.548 119.950 0.057 0.000 2.680 124 F HA 0.281 4.822 4.527 0.023 0.000 0.290 124 F C 1.972 177.779 175.800 0.013 0.000 1.114 124 F CA -0.163 57.911 58.000 0.123 0.000 1.333 124 F CB 0.188 39.227 39.000 0.064 0.000 1.091 124 F HN -0.276 nan 8.300 nan 0.000 0.606 125 R N 1.367 121.876 120.500 0.016 0.000 2.134 125 R HA -0.274 4.079 4.340 0.022 0.000 0.248 125 R C 2.219 178.424 176.300 -0.158 0.000 1.143 125 R CA 2.553 58.623 56.100 -0.048 0.000 0.957 125 R CB -0.700 29.609 30.300 0.016 0.000 0.867 125 R HN 0.364 nan 8.270 nan 0.000 0.441 126 K N -0.240 120.015 120.400 -0.241 0.000 2.144 126 K HA -0.245 4.089 4.320 0.022 0.000 0.209 126 K C 1.528 177.908 176.600 -0.366 0.000 1.047 126 K CA 2.065 58.181 56.287 -0.285 0.000 0.927 126 K CB -0.609 31.667 32.500 -0.373 0.000 0.716 126 K HN 0.243 nan 8.250 nan 0.000 0.454 127 Y N 2.383 122.392 120.300 -0.486 0.000 2.574 127 Y HA -0.076 4.488 4.550 0.022 0.000 0.294 127 Y C 2.231 177.909 175.900 -0.369 0.000 1.142 127 Y CA 1.316 59.005 58.100 -0.685 0.000 1.314 127 Y CB -0.396 37.374 38.460 -1.150 0.000 0.991 127 Y HN 0.393 nan 8.280 nan 0.000 0.555 128 T N -2.783 111.721 114.554 -0.084 0.000 3.163 128 T HA 0.505 4.868 4.350 0.022 0.000 0.252 128 T C 0.841 175.770 174.700 0.382 0.000 1.056 128 T CA -0.003 62.212 62.100 0.190 0.000 0.947 128 T CB -0.526 68.458 68.868 0.193 0.000 1.016 128 T HN 0.188 nan 8.240 nan 0.000 0.554 129 A N 1.874 124.813 122.820 0.198 0.000 2.531 129 A HA 0.522 4.856 4.320 0.022 0.000 0.236 129 A C -0.042 177.681 177.584 0.231 0.000 1.062 129 A CA -0.296 51.822 52.037 0.134 0.000 0.760 129 A CB -0.558 18.474 19.000 0.053 0.000 0.995 129 A HN 0.820 nan 8.150 nan 0.000 0.501 130 F N -0.489 119.515 119.950 0.090 0.000 2.662 130 F HA 0.811 5.351 4.527 0.023 0.000 0.312 130 F C -0.257 175.569 175.800 0.044 0.000 1.113 130 F CA -0.395 57.623 58.000 0.031 0.000 0.951 130 F CB 1.568 40.567 39.000 -0.002 0.000 1.344 130 F HN 0.620 nan 8.300 nan 0.000 0.462 131 T N 0.501 115.151 114.554 0.160 0.000 2.921 131 T HA 0.711 5.074 4.350 0.022 0.000 0.297 131 T C -0.813 173.966 174.700 0.132 0.000 1.013 131 T CA -0.666 61.484 62.100 0.082 0.000 0.990 131 T CB 1.379 70.248 68.868 0.003 0.000 1.023 131 T HN 1.012 nan 8.240 nan 0.000 0.447 132 I N 0.297 120.955 120.570 0.147 0.000 2.312 132 I HA 0.564 4.747 4.170 0.022 0.000 0.290 132 I C -2.895 173.258 176.117 0.060 0.000 1.008 132 I CA -2.889 58.472 61.300 0.101 0.000 1.226 132 I CB 0.884 38.948 38.000 0.106 0.000 1.371 132 I HN 0.267 nan 8.210 nan 0.000 0.468 133 P HA 0.019 nan 4.420 nan 0.000 0.265 133 P C -0.293 177.019 177.300 0.020 0.000 1.187 133 P CA 0.111 63.224 63.100 0.022 0.000 0.766 133 P CB 0.575 32.287 31.700 0.020 0.000 0.820 134 S N 2.417 118.126 115.700 0.014 0.000 2.545 134 S HA 0.264 4.747 4.470 0.022 0.000 0.275 134 S C 1.337 175.943 174.600 0.010 0.000 1.299 134 S CA -0.650 57.557 58.200 0.012 0.000 1.048 134 S CB 0.221 63.424 63.200 0.005 0.000 0.938 134 S HN 0.291 nan 8.310 nan 0.000 0.496 135 I N 1.296 121.872 120.570 0.010 0.000 2.087 135 I HA -0.232 3.952 4.170 0.022 0.000 0.240 135 I C 1.456 177.578 176.117 0.009 0.000 1.054 135 I CA 1.387 62.693 61.300 0.010 0.000 1.311 135 I CB -0.639 37.367 38.000 0.010 0.000 1.024 135 I HN 0.729 nan 8.210 nan 0.000 0.402 136 N N 1.941 120.645 118.700 0.007 0.000 2.454 136 N HA -0.088 4.666 4.740 0.022 0.000 0.260 136 N C 0.883 176.396 175.510 0.004 0.000 1.218 136 N CA 0.128 53.181 53.050 0.005 0.000 0.904 136 N CB 0.395 38.883 38.487 0.003 0.000 1.065 136 N HN 0.198 nan 8.380 nan 0.000 0.462 137 N N 3.394 122.097 118.700 0.005 0.000 2.171 137 N HA -0.201 4.552 4.740 0.022 0.000 0.184 137 N C 1.063 176.573 175.510 0.000 0.000 1.021 137 N CA 0.793 53.845 53.050 0.004 0.000 0.854 137 N CB -0.559 37.932 38.487 0.006 0.000 0.994 137 N HN 0.745 nan 8.380 nan 0.000 0.426 138 E N 1.202 121.402 120.200 -0.001 0.000 2.097 138 E HA -0.167 4.196 4.350 0.022 0.000 0.196 138 E C 0.102 176.698 176.600 -0.007 0.000 1.000 138 E CA 0.983 57.381 56.400 -0.004 0.000 0.804 138 E CB -0.306 29.392 29.700 -0.003 0.000 0.740 138 E HN 0.374 nan 8.360 nan 0.000 0.454 139 T N 1.947 116.497 114.554 -0.007 0.000 2.904 139 T HA 0.246 4.609 4.350 0.022 0.000 0.290 139 T C -2.313 172.380 174.700 -0.012 0.000 1.018 139 T CA -1.805 60.289 62.100 -0.011 0.000 1.075 139 T CB 1.458 70.320 68.868 -0.010 0.000 0.986 139 T HN 0.046 nan 8.240 nan 0.000 0.523 140 P HA 0.400 nan 4.420 nan 0.000 0.277 140 P C 0.025 177.313 177.300 -0.020 0.000 1.271 140 P CA -0.407 62.680 63.100 -0.021 0.000 0.795 140 P CB 0.479 32.160 31.700 -0.031 0.000 1.101 141 G N -0.348 108.440 108.800 -0.020 0.000 2.511 141 G HA2 0.537 4.511 3.960 0.022 0.000 0.316 141 G HA3 0.537 4.511 3.960 0.022 0.000 0.316 141 G C -0.553 174.332 174.900 -0.026 0.000 1.210 141 G CA -0.752 44.343 45.100 -0.010 0.000 0.969 141 G HN 0.320 nan 8.290 nan 0.000 0.492 142 I N 0.012 120.583 120.570 0.001 0.000 2.395 142 I HA 0.330 4.513 4.170 0.022 0.000 0.289 142 I C 0.523 176.606 176.117 -0.056 0.000 1.023 142 I CA -0.238 61.035 61.300 -0.046 0.000 1.350 142 I CB 1.274 39.297 38.000 0.039 0.000 1.409 142 I HN 0.262 nan 8.210 nan 0.000 0.507 143 R N 5.965 126.340 120.500 -0.208 0.000 2.310 143 R HA 0.578 4.931 4.340 0.022 0.000 0.324 143 R C -1.225 174.840 176.300 -0.391 0.000 0.955 143 R CA -0.683 55.278 56.100 -0.232 0.000 0.830 143 R CB 0.939 31.128 30.300 -0.184 0.000 1.154 143 R HN 0.433 nan 8.270 nan 0.000 0.458 144 Y N 0.867 120.744 120.300 -0.705 0.000 2.732 144 Y HA 0.379 4.943 4.550 0.022 0.000 0.327 144 Y C 0.178 175.685 175.900 -0.654 0.000 1.162 144 Y CA -0.904 56.774 58.100 -0.704 0.000 1.238 144 Y CB 1.465 39.406 38.460 -0.865 0.000 1.443 144 Y HN 0.461 nan 8.280 nan 0.000 0.584 145 Q N -1.049 118.672 119.800 -0.133 0.000 2.503 145 Q HA 0.383 4.737 4.340 0.022 0.000 0.268 145 Q C -2.309 173.800 176.000 0.181 0.000 0.982 145 Q CA -0.975 54.867 55.803 0.065 0.000 0.907 145 Q CB 1.095 29.844 28.738 0.017 0.000 1.467 145 Q HN 0.553 nan 8.270 nan 0.000 0.394 146 Y N 1.712 122.159 120.300 0.245 0.000 2.411 146 Y HA 0.191 4.754 4.550 0.023 0.000 0.333 146 Y C 0.898 176.853 175.900 0.092 0.000 1.186 146 Y CA 0.558 58.771 58.100 0.189 0.000 1.381 146 Y CB 0.810 39.353 38.460 0.138 0.000 1.273 146 Y HN 0.738 nan 8.280 nan 0.000 0.546 147 N N 0.980 119.849 118.700 0.282 0.000 2.181 147 N HA 0.084 4.838 4.740 0.022 0.000 0.207 147 N C -0.247 175.362 175.510 0.165 0.000 1.182 147 N CA 0.395 53.549 53.050 0.173 0.000 0.893 147 N CB 0.756 39.325 38.487 0.137 0.000 1.032 147 N HN 0.402 nan 8.380 nan 0.000 0.513 148 V N -2.104 117.945 119.914 0.225 0.000 3.417 148 V HA 0.563 4.696 4.120 0.022 0.000 0.297 148 V C 0.143 176.242 176.094 0.009 0.000 1.271 148 V CA -0.980 61.408 62.300 0.146 0.000 1.012 148 V CB 0.930 32.880 31.823 0.212 0.000 1.241 148 V HN -0.193 nan 8.190 nan 0.000 0.477 149 L N 3.113 124.292 121.223 -0.074 0.000 2.283 149 L HA 0.436 4.789 4.340 0.022 0.000 0.287 149 L C -2.303 174.337 176.870 -0.382 0.000 1.073 149 L CA -1.475 53.248 54.840 -0.194 0.000 0.822 149 L CB 1.369 43.338 42.059 -0.149 0.000 1.186 149 L HN 0.525 nan 8.230 nan 0.000 0.436 150 P HA 0.023 nan 4.420 nan 0.000 0.276 150 P C -0.582 176.520 177.300 -0.329 0.000 1.264 150 P CA -0.551 62.002 63.100 -0.911 0.000 0.769 150 P CB 1.127 31.940 31.700 -1.478 0.000 0.840 151 Q N 3.309 122.984 119.800 -0.209 0.000 2.368 151 Q HA 0.159 4.513 4.340 0.022 0.000 0.331 151 Q C 1.534 177.664 176.000 0.216 0.000 1.086 151 Q CA 2.332 58.160 55.803 0.041 0.000 1.031 151 Q CB -0.713 28.098 28.738 0.121 0.000 1.125 151 Q HN 0.878 nan 8.270 nan 0.000 0.389 152 G N 2.447 111.379 108.800 0.220 0.000 2.217 152 G HA2 -0.308 3.665 3.960 0.022 0.000 0.246 152 G HA3 -0.308 3.665 3.960 0.022 0.000 0.246 152 G C -0.296 174.769 174.900 0.275 0.000 0.990 152 G CA 0.015 45.289 45.100 0.290 0.000 0.627 152 G HN 0.706 nan 8.290 nan 0.000 0.522 153 W N 1.904 123.106 121.300 -0.165 0.000 2.184 153 W HA 0.612 5.285 4.660 0.023 0.000 0.338 153 W C 1.470 177.852 176.519 -0.229 0.000 1.257 153 W CA -0.020 57.114 57.345 -0.352 0.000 1.243 153 W CB 0.755 29.815 29.460 -0.666 0.000 1.122 153 W HN 0.079 nan 8.180 nan 0.000 0.585 154 K N 1.849 121.611 120.400 -1.064 0.000 2.032 154 K HA -0.149 4.184 4.320 0.022 0.000 0.209 154 K C 1.850 177.693 176.600 -1.261 0.000 1.048 154 K CA 2.089 57.796 56.287 -0.967 0.000 0.927 154 K CB -0.720 31.351 32.500 -0.716 0.000 0.712 154 K HN 0.746 nan 8.250 nan 0.000 0.441 155 G N -0.528 106.865 108.800 -2.345 0.000 2.623 155 G HA2 -0.102 3.872 3.960 0.022 0.000 0.214 155 G HA3 -0.102 3.872 3.960 0.022 0.000 0.214 155 G C 1.299 175.499 174.900 -1.166 0.000 1.138 155 G CA 0.420 44.129 45.100 -2.318 0.000 0.794 155 G HN 0.263 nan 8.290 nan 0.000 0.535 156 S N 1.995 117.257 115.700 -0.730 0.000 2.380 156 S HA -0.163 4.321 4.470 0.022 0.000 0.229 156 S C 0.184 174.281 174.600 -0.839 0.000 1.050 156 S CA 1.937 59.761 58.200 -0.626 0.000 1.100 156 S CB -1.038 61.806 63.200 -0.593 0.000 0.984 156 S HN 0.318 nan 8.310 nan 0.000 0.434 157 P HA -0.086 nan 4.420 nan 0.000 0.215 157 P C 1.473 178.620 177.300 -0.255 0.000 1.157 157 P CA 1.687 64.542 63.100 -0.409 0.000 0.874 157 P CB -0.124 31.443 31.700 -0.221 0.000 0.790 158 A N -1.031 121.587 122.820 -0.338 0.000 1.897 158 A HA -0.111 4.222 4.320 0.022 0.000 0.215 158 A C 2.199 179.664 177.584 -0.197 0.000 1.181 158 A CA 1.186 53.085 52.037 -0.230 0.000 0.620 158 A CB -1.506 17.358 19.000 -0.227 0.000 0.821 158 A HN 0.089 nan 8.150 nan 0.000 0.443 159 I N -1.538 118.859 120.570 -0.289 0.000 2.361 159 I HA -0.216 3.967 4.170 0.022 0.000 0.251 159 I C 2.348 178.388 176.117 -0.128 0.000 1.133 159 I CA 1.485 62.676 61.300 -0.181 0.000 1.413 159 I CB -0.306 37.590 38.000 -0.173 0.000 1.073 159 I HN 0.507 nan 8.210 nan 0.000 0.424 160 F N 1.713 121.482 119.950 -0.302 0.000 2.084 160 F HA -0.226 4.314 4.527 0.022 0.000 0.296 160 F C 2.722 178.434 175.800 -0.146 0.000 1.111 160 F CA 1.547 59.412 58.000 -0.224 0.000 1.224 160 F CB -0.281 38.535 39.000 -0.306 0.000 0.991 160 F HN -0.029 nan 8.300 nan 0.000 0.471 161 Q N 0.139 119.788 119.800 -0.251 0.000 2.077 161 Q HA -0.270 4.084 4.340 0.022 0.000 0.206 161 Q C 2.467 178.279 176.000 -0.314 0.000 0.989 161 Q CA 1.996 57.616 55.803 -0.305 0.000 0.853 161 Q CB -0.961 27.713 28.738 -0.107 0.000 0.907 161 Q HN 0.535 nan 8.270 nan 0.000 0.418 162 S N 0.486 116.061 115.700 -0.208 0.000 2.365 162 S HA -0.211 4.272 4.470 0.022 0.000 0.221 162 S C 2.172 176.634 174.600 -0.230 0.000 1.037 162 S CA 1.973 60.075 58.200 -0.164 0.000 1.060 162 S CB -0.258 62.882 63.200 -0.101 0.000 0.974 162 S HN 0.398 nan 8.310 nan 0.000 0.427 163 S N 1.528 117.071 115.700 -0.262 0.000 2.369 163 S HA -0.247 4.237 4.470 0.022 0.000 0.225 163 S C 1.869 176.228 174.600 -0.401 0.000 1.043 163 S CA 2.007 60.030 58.200 -0.295 0.000 1.074 163 S CB -0.740 62.303 63.200 -0.262 0.000 0.962 163 S HN 0.629 nan 8.310 nan 0.000 0.433 164 M N 2.288 121.558 119.600 -0.550 0.000 2.110 164 M HA -0.177 4.317 4.480 0.022 0.000 0.257 164 M C 2.333 178.414 176.300 -0.366 0.000 1.071 164 M CA 2.618 57.595 55.300 -0.537 0.000 1.096 164 M CB -1.488 30.692 32.600 -0.699 0.000 1.300 164 M HN 0.459 nan 8.290 nan 0.000 0.411 165 T N -1.893 112.482 114.554 -0.298 0.000 2.929 165 T HA -0.161 4.202 4.350 0.022 0.000 0.271 165 T C 1.903 176.496 174.700 -0.178 0.000 1.085 165 T CA 1.769 63.748 62.100 -0.201 0.000 1.125 165 T CB -0.499 68.277 68.868 -0.155 0.000 0.874 165 T HN 0.577 nan 8.240 nan 0.000 0.494 166 K N -0.016 120.252 120.400 -0.220 0.000 2.228 166 K HA 0.235 4.568 4.320 0.022 0.000 0.202 166 K C 2.129 178.572 176.600 -0.261 0.000 1.051 166 K CA 0.816 56.985 56.287 -0.195 0.000 0.960 166 K CB -0.106 32.280 32.500 -0.191 0.000 0.743 166 K HN 0.445 nan 8.250 nan 0.000 0.458 167 I N 0.543 120.868 120.570 -0.408 0.000 2.333 167 I HA -0.224 3.959 4.170 0.022 0.000 0.246 167 I C 1.623 177.618 176.117 -0.203 0.000 1.106 167 I CA 0.641 61.579 61.300 -0.604 0.000 1.411 167 I CB -0.017 37.474 38.000 -0.847 0.000 1.082 167 I HN 0.075 nan 8.210 nan 0.000 0.420 168 L N 0.680 121.817 121.223 -0.145 0.000 2.156 168 L HA -0.150 4.203 4.340 0.022 0.000 0.208 168 L C 2.325 179.233 176.870 0.064 0.000 1.095 168 L CA 1.458 56.287 54.840 -0.019 0.000 0.770 168 L CB -1.131 40.877 42.059 -0.085 0.000 0.914 168 L HN 0.199 nan 8.230 nan 0.000 0.439 169 E N 0.675 120.879 120.200 0.006 0.000 2.110 169 E HA -0.247 4.117 4.350 0.022 0.000 0.225 169 E C -0.610 176.038 176.600 0.079 0.000 1.063 169 E CA 2.711 59.128 56.400 0.027 0.000 0.906 169 E CB -1.439 28.258 29.700 -0.004 0.000 0.795 169 E HN 0.317 nan 8.360 nan 0.000 0.479 170 P HA -0.188 nan 4.420 nan 0.000 0.211 170 P C 1.708 179.057 177.300 0.083 0.000 1.179 170 P CA 1.742 64.916 63.100 0.123 0.000 0.910 170 P CB -0.534 31.295 31.700 0.214 0.000 0.785 171 F N 1.347 121.223 119.950 -0.124 0.000 2.135 171 F HA -0.281 4.259 4.527 0.022 0.000 0.300 171 F C 2.513 178.240 175.800 -0.122 0.000 1.074 171 F CA 1.861 59.698 58.000 -0.272 0.000 1.262 171 F CB -0.346 38.399 39.000 -0.424 0.000 1.013 171 F HN -0.230 nan 8.300 nan 0.000 0.489 172 R N 0.309 120.944 120.500 0.224 0.000 2.073 172 R HA -0.162 4.192 4.340 0.022 0.000 0.234 172 R C 2.190 178.504 176.300 0.022 0.000 1.134 172 R CA 1.852 58.037 56.100 0.143 0.000 0.952 172 R CB -0.539 29.825 30.300 0.106 0.000 0.850 172 R HN 0.334 nan 8.270 nan 0.000 0.433 173 K N 0.719 121.122 120.400 0.004 0.000 2.211 173 K HA -0.135 4.198 4.320 0.022 0.000 0.203 173 K C 1.984 178.547 176.600 -0.062 0.000 1.050 173 K CA 1.046 57.322 56.287 -0.019 0.000 0.945 173 K CB 0.038 32.535 32.500 -0.005 0.000 0.732 173 K HN 0.303 nan 8.250 nan 0.000 0.451 174 Q N 0.094 119.822 119.800 -0.120 0.000 2.451 174 Q HA 0.032 4.385 4.340 0.022 0.000 0.206 174 Q C -0.048 175.810 176.000 -0.236 0.000 0.947 174 Q CA 0.442 56.136 55.803 -0.181 0.000 0.937 174 Q CB 0.356 28.944 28.738 -0.251 0.000 1.025 174 Q HN 0.221 nan 8.270 nan 0.000 0.511 175 N N 0.555 119.124 118.700 -0.218 0.000 2.687 175 N HA 0.109 4.863 4.740 0.022 0.000 0.275 175 N C -2.323 173.154 175.510 -0.056 0.000 1.789 175 N CA -0.735 52.206 53.050 -0.183 0.000 0.806 175 N CB 1.302 39.598 38.487 -0.320 0.000 1.256 175 N HN 0.076 nan 8.380 nan 0.000 0.500 176 P HA -0.120 nan 4.420 nan 0.000 0.228 176 P C 0.419 177.725 177.300 0.009 0.000 1.151 176 P CA 1.114 64.210 63.100 -0.007 0.000 0.770 176 P CB 0.419 32.111 31.700 -0.013 0.000 0.786 177 D N -0.103 120.301 120.400 0.006 0.000 2.162 177 D HA -0.054 4.600 4.640 0.022 0.000 0.205 177 D C 1.081 177.410 176.300 0.048 0.000 0.964 177 D CA 0.371 54.385 54.000 0.023 0.000 0.847 177 D CB -1.032 39.779 40.800 0.019 0.000 0.988 177 D HN 0.065 nan 8.370 nan 0.000 0.480 178 I N 1.518 122.126 120.570 0.063 0.000 2.692 178 I HA 0.105 4.288 4.170 0.022 0.000 0.284 178 I C 0.244 176.420 176.117 0.099 0.000 1.159 178 I CA -0.764 60.597 61.300 0.103 0.000 1.423 178 I CB 0.967 39.059 38.000 0.153 0.000 1.380 178 I HN -0.148 nan 8.210 nan 0.000 0.580 179 V N 7.709 127.681 119.914 0.096 0.000 2.448 179 V HA 0.476 4.610 4.120 0.022 0.000 0.295 179 V C 0.095 176.243 176.094 0.090 0.000 1.025 179 V CA -0.508 61.840 62.300 0.080 0.000 0.859 179 V CB 1.993 33.849 31.823 0.055 0.000 0.988 179 V HN 0.445 nan 8.190 nan 0.000 0.431 180 I N 5.463 126.085 120.570 0.086 0.000 2.447 180 I HA 0.415 4.598 4.170 0.022 0.000 0.287 180 I C -1.281 174.900 176.117 0.107 0.000 1.023 180 I CA -0.749 60.600 61.300 0.082 0.000 1.083 180 I CB 1.783 39.800 38.000 0.028 0.000 1.245 180 I HN 0.615 nan 8.210 nan 0.000 0.434 181 Y N 6.366 126.684 120.300 0.030 0.000 2.352 181 Y HA 0.415 4.978 4.550 0.023 0.000 0.339 181 Y C -0.395 175.573 175.900 0.113 0.000 0.992 181 Y CA -0.403 57.715 58.100 0.030 0.000 1.100 181 Y CB 1.392 39.813 38.460 -0.064 0.000 1.192 181 Y HN 0.545 nan 8.280 nan 0.000 0.458 182 Q N 5.487 124.953 119.800 -0.556 0.000 2.256 182 Q HA 0.313 4.667 4.340 0.022 0.000 0.257 182 Q C -2.246 173.547 176.000 -0.345 0.000 0.936 182 Q CA -0.873 54.761 55.803 -0.282 0.000 0.903 182 Q CB 1.309 29.913 28.738 -0.223 0.000 1.263 182 Q HN 0.826 nan 8.270 nan 0.000 0.440 183 Y N 6.138 126.451 120.300 0.021 0.000 2.287 183 Y HA 0.226 4.789 4.550 0.022 0.000 0.325 183 Y C -0.078 175.976 175.900 0.256 0.000 1.139 183 Y CA -0.379 57.858 58.100 0.228 0.000 1.167 183 Y CB 0.559 39.414 38.460 0.659 0.000 1.158 183 Y HN 0.972 nan 8.280 nan 0.000 0.434 184 M N 1.538 121.219 119.600 0.135 0.000 7.319 184 M HA -0.421 4.073 4.480 0.022 0.000 0.321 184 M C 0.004 176.469 176.300 0.274 0.000 0.480 184 M CA 2.298 57.714 55.300 0.193 0.000 1.311 184 M CB -0.963 31.782 32.600 0.240 0.000 0.421 184 M HN 0.677 nan 8.290 nan 0.000 0.817 185 D N 0.776 121.296 120.400 0.199 0.000 2.319 185 D HA 0.200 4.854 4.640 0.022 0.000 0.230 185 D C -0.713 175.674 176.300 0.145 0.000 1.094 185 D CA 0.391 54.466 54.000 0.125 0.000 0.856 185 D CB 0.104 40.897 40.800 -0.013 0.000 0.915 185 D HN 0.252 nan 8.370 nan 0.000 0.517 186 D N -0.347 120.180 120.400 0.211 0.000 2.272 186 D HA 0.500 5.153 4.640 0.022 0.000 0.247 186 D C -0.954 175.395 176.300 0.081 0.000 0.990 186 D CA -0.537 53.515 54.000 0.087 0.000 0.931 186 D CB 1.697 42.552 40.800 0.091 0.000 1.195 186 D HN -0.192 nan 8.370 nan 0.000 0.477 187 L N 2.420 123.568 121.223 -0.124 0.000 2.529 187 L HA 0.305 4.658 4.340 0.022 0.000 0.260 187 L C -1.690 175.061 176.870 -0.199 0.000 0.997 187 L CA -0.509 54.296 54.840 -0.059 0.000 0.885 187 L CB 0.590 42.616 42.059 -0.055 0.000 1.185 187 L HN 0.375 nan 8.230 nan 0.000 0.442 188 Y N 3.680 123.957 120.300 -0.038 0.000 2.436 188 Y HA 0.465 5.029 4.550 0.023 0.000 0.343 188 Y C 0.256 176.125 175.900 -0.052 0.000 1.008 188 Y CA -0.456 57.572 58.100 -0.121 0.000 1.241 188 Y CB 0.816 39.163 38.460 -0.188 0.000 1.153 188 Y HN 0.209 nan 8.280 nan 0.000 0.521 189 V N 3.590 123.529 119.914 0.041 0.000 2.409 189 V HA 0.779 4.913 4.120 0.022 0.000 0.291 189 V C 0.343 176.543 176.094 0.178 0.000 1.020 189 V CA -0.715 61.637 62.300 0.087 0.000 0.848 189 V CB 1.205 33.048 31.823 0.033 0.000 0.990 189 V HN 0.902 nan 8.190 nan 0.000 0.430 190 G N 2.682 111.584 108.800 0.171 0.000 2.630 190 G HA2 0.881 4.855 3.960 0.022 0.000 0.296 190 G HA3 0.881 4.855 3.960 0.022 0.000 0.296 190 G C -0.684 174.338 174.900 0.203 0.000 1.285 190 G CA -0.101 45.111 45.100 0.186 0.000 0.958 190 G HN 1.137 nan 8.290 nan 0.000 0.479 191 S N -1.330 114.472 115.700 0.170 0.000 2.636 191 S HA 0.426 4.909 4.470 0.022 0.000 0.266 191 S C -1.417 173.236 174.600 0.088 0.000 1.147 191 S CA -0.688 57.608 58.200 0.160 0.000 0.815 191 S CB 1.837 65.209 63.200 0.286 0.000 1.119 191 S HN 0.331 nan 8.310 nan 0.000 0.470 192 D N 0.906 121.352 120.400 0.078 0.000 2.463 192 D HA 0.337 4.991 4.640 0.022 0.000 0.224 192 D C 0.008 176.342 176.300 0.057 0.000 1.174 192 D CA -0.011 54.018 54.000 0.048 0.000 0.829 192 D CB 0.146 40.968 40.800 0.035 0.000 0.993 192 D HN 0.404 nan 8.370 nan 0.000 0.497 193 L N 1.331 122.612 121.223 0.096 0.000 2.418 193 L HA 0.153 4.507 4.340 0.022 0.000 0.265 193 L C 0.947 177.867 176.870 0.083 0.000 1.143 193 L CA -0.677 54.224 54.840 0.102 0.000 0.809 193 L CB 0.672 42.827 42.059 0.160 0.000 1.124 193 L HN 0.014 nan 8.230 nan 0.000 0.456 194 E N 1.344 121.585 120.200 0.068 0.000 2.384 194 E HA 0.039 4.402 4.350 0.022 0.000 0.266 194 E C 0.892 177.538 176.600 0.076 0.000 1.012 194 E CA -0.318 56.114 56.400 0.053 0.000 0.901 194 E CB 0.643 30.368 29.700 0.041 0.000 0.967 194 E HN 0.437 nan 8.360 nan 0.000 0.435 195 I N 2.740 123.343 120.570 0.055 0.000 2.188 195 I HA -0.407 3.777 4.170 0.022 0.000 0.246 195 I C 2.125 178.304 176.117 0.103 0.000 1.033 195 I CA 2.065 63.405 61.300 0.067 0.000 1.307 195 I CB -0.729 37.296 38.000 0.041 0.000 1.005 195 I HN 0.903 nan 8.210 nan 0.000 0.421 196 G N -0.541 108.305 108.800 0.077 0.000 2.394 196 G HA2 -0.203 3.770 3.960 0.022 0.000 0.214 196 G HA3 -0.203 3.770 3.960 0.022 0.000 0.214 196 G C 1.514 176.461 174.900 0.078 0.000 1.176 196 G CA 0.371 45.513 45.100 0.070 0.000 0.786 196 G HN 0.433 nan 8.290 nan 0.000 0.533 197 Q N -0.770 119.077 119.800 0.078 0.000 2.167 197 Q HA -0.090 4.263 4.340 0.022 0.000 0.202 197 Q C 2.167 178.219 176.000 0.088 0.000 0.970 197 Q CA 1.293 57.137 55.803 0.068 0.000 0.855 197 Q CB -0.178 28.595 28.738 0.057 0.000 0.911 197 Q HN 0.751 nan 8.270 nan 0.000 0.438 198 H N 0.963 120.058 119.070 0.042 0.000 2.256 198 H HA -0.096 4.474 4.556 0.023 0.000 0.299 198 H C 2.055 177.419 175.328 0.060 0.000 1.071 198 H CA 1.977 58.057 56.048 0.055 0.000 1.280 198 H CB 0.049 29.844 29.762 0.056 0.000 1.370 198 H HN 0.001 nan 8.280 nan 0.000 0.490 199 R N -0.396 120.191 120.500 0.145 0.000 2.261 199 R HA -0.130 4.223 4.340 0.022 0.000 0.236 199 R C 1.491 177.798 176.300 0.011 0.000 1.141 199 R CA 1.807 57.953 56.100 0.076 0.000 1.001 199 R CB -0.154 30.211 30.300 0.110 0.000 0.866 199 R HN 0.436 nan 8.270 nan 0.000 0.468 200 T N 0.445 115.006 114.554 0.011 0.000 2.852 200 T HA 0.004 4.367 4.350 0.022 0.000 0.256 200 T C 1.511 176.218 174.700 0.011 0.000 1.038 200 T CA 0.637 62.746 62.100 0.015 0.000 1.141 200 T CB 0.029 68.910 68.868 0.022 0.000 0.869 200 T HN 0.134 nan 8.240 nan 0.000 0.439 201 K N 1.258 121.649 120.400 -0.014 0.000 2.032 201 K HA -0.016 4.317 4.320 0.022 0.000 0.209 201 K C 2.262 178.902 176.600 0.067 0.000 1.048 201 K CA 0.885 57.195 56.287 0.039 0.000 0.927 201 K CB -0.741 31.763 32.500 0.007 0.000 0.712 201 K HN 0.255 nan 8.250 nan 0.000 0.441 202 I N 2.036 122.554 120.570 -0.087 0.000 2.113 202 I HA -0.281 3.903 4.170 0.022 0.000 0.242 202 I C 2.125 178.239 176.117 -0.005 0.000 1.064 202 I CA 1.573 62.822 61.300 -0.084 0.000 1.320 202 I CB -1.026 36.898 38.000 -0.126 0.000 1.028 202 I HN 0.248 nan 8.210 nan 0.000 0.406 203 E N 0.468 120.677 120.200 0.015 0.000 2.204 203 E HA -0.189 4.175 4.350 0.022 0.000 0.195 203 E C 2.059 178.707 176.600 0.079 0.000 0.990 203 E CA 0.714 57.137 56.400 0.038 0.000 0.821 203 E CB -0.068 29.652 29.700 0.033 0.000 0.750 203 E HN 0.594 nan 8.360 nan 0.000 0.477 204 E N 0.500 120.774 120.200 0.123 0.000 2.028 204 E HA -0.175 4.188 4.350 0.022 0.000 0.191 204 E C 2.195 178.967 176.600 0.287 0.000 0.988 204 E CA 0.590 57.117 56.400 0.213 0.000 0.799 204 E CB -0.190 29.661 29.700 0.253 0.000 0.755 204 E HN 0.063 nan 8.360 nan 0.000 0.447 205 L N 1.794 123.143 121.223 0.210 0.000 1.971 205 L HA -0.239 4.114 4.340 0.022 0.000 0.215 205 L C 2.240 179.102 176.870 -0.014 0.000 1.072 205 L CA 1.854 56.585 54.840 -0.182 0.000 0.758 205 L CB -0.402 41.393 42.059 -0.440 0.000 0.889 205 L HN -0.036 nan 8.230 nan 0.000 0.433 206 R N -1.048 119.454 120.500 0.003 0.000 2.153 206 R HA -0.234 4.119 4.340 0.022 0.000 0.252 206 R C 2.200 178.546 176.300 0.076 0.000 1.158 206 R CA 1.766 57.884 56.100 0.030 0.000 0.975 206 R CB -0.400 29.916 30.300 0.028 0.000 0.871 206 R HN 0.553 nan 8.270 nan 0.000 0.450 207 Q N -1.032 118.836 119.800 0.112 0.000 2.250 207 Q HA -0.093 4.261 4.340 0.022 0.000 0.200 207 Q C 1.796 177.903 176.000 0.179 0.000 0.941 207 Q CA 1.195 57.073 55.803 0.124 0.000 0.872 207 Q CB -0.215 28.591 28.738 0.114 0.000 0.965 207 Q HN 0.484 nan 8.270 nan 0.000 0.480 208 H N 0.492 119.651 119.070 0.148 0.000 2.456 208 H HA -0.006 4.563 4.556 0.022 0.000 0.296 208 H C 1.744 177.271 175.328 0.331 0.000 1.079 208 H CA 1.270 57.462 56.048 0.240 0.000 1.322 208 H CB 0.065 30.004 29.762 0.296 0.000 1.388 208 H HN 0.091 nan 8.280 nan 0.000 0.538 209 L N -0.808 120.533 121.223 0.197 0.000 2.102 209 L HA -0.080 4.274 4.340 0.022 0.000 0.202 209 L C 2.340 179.338 176.870 0.215 0.000 1.076 209 L CA 0.230 55.174 54.840 0.173 0.000 0.761 209 L CB -0.359 41.742 42.059 0.070 0.000 0.921 209 L HN 0.289 nan 8.230 nan 0.000 0.444 210 L N 0.857 122.163 121.223 0.138 0.000 2.081 210 L HA -0.244 4.110 4.340 0.022 0.000 0.212 210 L C 2.641 179.558 176.870 0.078 0.000 1.080 210 L CA 1.748 56.650 54.840 0.103 0.000 0.754 210 L CB -0.864 41.238 42.059 0.072 0.000 0.893 210 L HN 0.342 nan 8.230 nan 0.000 0.433 211 R N -1.301 119.220 120.500 0.035 0.000 2.211 211 R HA -0.223 4.130 4.340 0.022 0.000 0.240 211 R C 1.259 177.391 176.300 -0.280 0.000 1.144 211 R CA 1.907 57.908 56.100 -0.165 0.000 0.992 211 R CB -0.148 29.970 30.300 -0.303 0.000 0.869 211 R HN 0.431 nan 8.270 nan 0.000 0.462 212 W N -1.422 119.844 121.300 -0.057 0.000 3.005 212 W HA 0.418 5.092 4.660 0.023 0.000 0.374 212 W C 1.026 177.552 176.519 0.011 0.000 1.076 212 W CA 0.223 57.548 57.345 -0.034 0.000 1.794 212 W CB 0.694 30.116 29.460 -0.063 0.000 1.113 212 W HN 0.224 nan 8.180 nan 0.000 0.584 213 G N 0.107 109.024 108.800 0.196 0.000 2.176 213 G HA2 -0.243 3.731 3.960 0.022 0.000 0.232 213 G HA3 -0.243 3.731 3.960 0.022 0.000 0.232 213 G C -0.087 174.910 174.900 0.162 0.000 0.986 213 G CA -0.526 44.668 45.100 0.156 0.000 0.643 213 G HN -0.001 nan 8.290 nan 0.000 0.522 214 L N 2.690 124.021 121.223 0.180 0.000 2.361 214 L HA 0.482 4.836 4.340 0.022 0.000 0.278 214 L C 1.076 178.016 176.870 0.117 0.000 1.113 214 L CA 0.963 55.896 54.840 0.156 0.000 0.849 214 L CB 0.112 42.255 42.059 0.140 0.000 1.155 214 L HN 0.473 nan 8.230 nan 0.000 0.452 215 T N -0.142 114.474 114.554 0.104 0.000 2.797 215 T HA 0.752 5.115 4.350 0.022 0.000 0.279 215 T C 0.147 174.887 174.700 0.066 0.000 0.991 215 T CA -0.675 61.471 62.100 0.078 0.000 0.979 215 T CB 1.892 70.801 68.868 0.069 0.000 0.943 215 T HN 0.632 nan 8.240 nan 0.000 0.444 216 T N 0.198 114.785 114.554 0.055 0.000 2.916 216 T HA 0.763 5.126 4.350 0.022 0.000 0.292 216 T C -2.994 171.737 174.700 0.051 0.000 1.064 216 T CA -1.939 60.188 62.100 0.044 0.000 1.011 216 T CB 1.431 70.315 68.868 0.027 0.000 1.152 216 T HN 0.567 nan 8.240 nan 0.000 0.510 217 P HA 0.303 nan 4.420 nan 0.000 0.275 217 P C -1.039 176.299 177.300 0.064 0.000 1.228 217 P CA -0.263 62.893 63.100 0.093 0.000 0.786 217 P CB 0.505 32.272 31.700 0.111 0.000 0.927 218 D N 1.408 121.831 120.400 0.038 0.000 2.312 218 D HA 0.099 4.753 4.640 0.022 0.000 0.248 218 D C 1.190 177.470 176.300 -0.034 0.000 1.086 218 D CA -0.706 53.280 54.000 -0.022 0.000 0.948 218 D CB 0.538 41.294 40.800 -0.074 0.000 1.162 218 D HN 0.076 nan 8.370 nan 0.000 0.446 219 K N 0.894 121.283 120.400 -0.017 0.000 2.192 219 K HA -0.345 3.988 4.320 0.022 0.000 0.214 219 K C 1.534 178.139 176.600 0.009 0.000 1.046 219 K CA 2.394 58.686 56.287 0.008 0.000 0.937 219 K CB -0.264 32.241 32.500 0.008 0.000 0.734 219 K HN 0.568 nan 8.250 nan 0.000 0.473 220 K N -0.998 119.364 120.400 -0.063 0.000 2.243 220 K HA -0.043 4.290 4.320 0.022 0.000 0.201 220 K C 0.522 177.207 176.600 0.142 0.000 1.051 220 K CA 0.905 57.186 56.287 -0.010 0.000 0.970 220 K CB 0.036 32.487 32.500 -0.082 0.000 0.755 220 K HN 0.498 nan 8.250 nan 0.000 0.465 221 H N 0.382 119.473 119.070 0.035 0.000 2.640 221 H HA 0.172 4.742 4.556 0.022 0.000 0.312 221 H C -0.549 174.802 175.328 0.039 0.000 1.110 221 H CA -0.516 55.551 56.048 0.033 0.000 1.098 221 H CB 0.409 30.186 29.762 0.025 0.000 1.485 221 H HN 0.131 nan 8.280 nan 0.000 0.526 222 Q N 1.175 121.070 119.800 0.158 0.000 2.365 222 Q HA 0.316 4.669 4.340 0.022 0.000 0.269 222 Q C -0.474 175.613 176.000 0.145 0.000 1.061 222 Q CA -0.979 54.900 55.803 0.126 0.000 0.816 222 Q CB 2.602 31.406 28.738 0.109 0.000 1.325 222 Q HN 0.283 nan 8.270 nan 0.000 0.446 223 K N 1.751 122.253 120.400 0.171 0.000 2.382 223 K HA 0.161 4.495 4.320 0.022 0.000 0.275 223 K C -0.212 176.591 176.600 0.339 0.000 1.009 223 K CA -0.046 56.382 56.287 0.235 0.000 0.970 223 K CB 0.603 33.277 32.500 0.290 0.000 0.934 223 K HN 0.392 nan 8.250 nan 0.000 0.479 224 E N 2.289 122.573 120.200 0.138 0.000 2.221 224 E HA 0.323 4.687 4.350 0.022 0.000 0.268 224 E C -2.396 173.900 176.600 -0.507 0.000 0.933 224 E CA -2.307 54.059 56.400 -0.057 0.000 0.809 224 E CB 1.294 30.980 29.700 -0.023 0.000 1.190 224 E HN 0.318 nan 8.360 nan 0.000 0.406 225 P HA 0.043 nan 4.420 nan 0.000 0.267 225 P C -2.263 174.781 177.300 -0.427 0.000 1.201 225 P CA -0.544 62.000 63.100 -0.926 0.000 0.775 225 P CB -0.201 31.193 31.700 -0.510 0.000 0.854 226 P HA 0.225 nan 4.420 nan 0.000 0.278 226 P C -1.104 175.935 177.300 -0.434 0.000 1.238 226 P CA -0.132 62.594 63.100 -0.622 0.000 0.794 226 P CB 0.491 31.641 31.700 -0.916 0.000 0.955 227 F N 1.716 121.668 119.950 0.003 0.000 2.404 227 F HA 0.176 4.716 4.527 0.022 0.000 0.358 227 F C 0.916 176.819 175.800 0.173 0.000 1.120 227 F CA -0.756 57.310 58.000 0.111 0.000 1.144 227 F CB 0.550 39.656 39.000 0.178 0.000 1.133 227 F HN 0.084 nan 8.300 nan 0.000 0.495 228 L N 4.901 126.323 121.223 0.332 0.000 2.369 228 L HA 0.145 4.498 4.340 0.022 0.000 0.279 228 L C -1.246 175.864 176.870 0.401 0.000 1.108 228 L CA -0.037 54.983 54.840 0.300 0.000 0.852 228 L CB 0.168 42.340 42.059 0.189 0.000 1.169 228 L HN 0.867 nan 8.230 nan 0.000 0.452 229 W N 7.682 129.097 121.300 0.191 0.000 2.900 229 W HA 0.328 5.001 4.660 0.022 0.000 0.336 229 W C 0.264 176.884 176.519 0.168 0.000 1.064 229 W CA -0.783 56.629 57.345 0.111 0.000 1.237 229 W CB 1.015 30.475 29.460 -0.000 0.000 1.391 229 W HN 0.506 nan 8.180 nan 0.000 0.468 230 M N 5.326 124.586 119.600 -0.567 0.000 2.375 230 M HA -0.239 4.255 4.480 0.022 0.000 0.197 230 M C 1.020 177.148 176.300 -0.287 0.000 0.414 230 M CA 2.078 57.010 55.300 -0.614 0.000 0.442 230 M CB -2.111 29.740 32.600 -1.249 0.000 1.527 230 M HN 1.428 nan 8.290 nan 0.000 0.864 231 G N -1.646 107.047 108.800 -0.178 0.000 2.138 231 G HA2 -0.230 3.743 3.960 0.022 0.000 0.193 231 G HA3 -0.230 3.743 3.960 0.022 0.000 0.193 231 G C -0.405 174.452 174.900 -0.072 0.000 0.998 231 G CA 0.101 44.997 45.100 -0.341 0.000 0.668 231 G HN 0.538 nan 8.290 nan 0.000 0.516 232 Y N -0.788 119.690 120.300 0.297 0.000 2.738 232 Y HA 0.750 5.313 4.550 0.022 0.000 0.327 232 Y C 0.302 176.408 175.900 0.345 0.000 1.166 232 Y CA -1.131 57.227 58.100 0.431 0.000 1.117 232 Y CB 1.475 40.228 38.460 0.488 0.000 1.317 232 Y HN 0.046 nan 8.280 nan 0.000 0.506 233 E N 1.585 122.116 120.200 0.553 0.000 2.402 233 E HA 0.408 4.772 4.350 0.022 0.000 0.244 233 E C -2.007 174.776 176.600 0.305 0.000 0.945 233 E CA -0.247 56.351 56.400 0.331 0.000 0.774 233 E CB 0.477 30.322 29.700 0.241 0.000 1.296 233 E HN 0.525 nan 8.360 nan 0.000 0.414 234 L N 5.101 126.496 121.223 0.286 0.000 2.278 234 L HA 0.384 4.738 4.340 0.022 0.000 0.287 234 L C 0.464 177.401 176.870 0.111 0.000 1.072 234 L CA -0.510 54.513 54.840 0.305 0.000 0.819 234 L CB 0.384 42.643 42.059 0.333 0.000 1.176 234 L HN 0.440 nan 8.230 nan 0.000 0.435 235 H N 3.422 122.676 119.070 0.306 0.000 2.559 235 H HA 0.268 4.837 4.556 0.022 0.000 0.343 235 H C -1.656 173.862 175.328 0.316 0.000 1.209 235 H CA -1.895 54.269 56.048 0.194 0.000 1.287 235 H CB 1.678 31.508 29.762 0.113 0.000 1.650 235 H HN 0.287 nan 8.280 nan 0.000 0.567 236 P HA -0.093 nan 4.420 nan 0.000 0.221 236 P C 0.613 178.129 177.300 0.359 0.000 1.150 236 P CA 1.282 64.539 63.100 0.261 0.000 0.800 236 P CB 0.335 32.119 31.700 0.140 0.000 0.787 237 D N -1.520 119.102 120.400 0.370 0.000 2.469 237 D HA 0.078 4.732 4.640 0.022 0.000 0.215 237 D C 0.263 176.680 176.300 0.196 0.000 1.154 237 D CA -0.017 54.181 54.000 0.330 0.000 0.832 237 D CB 0.117 40.995 40.800 0.131 0.000 1.008 237 D HN 0.236 nan 8.370 nan 0.000 0.506 238 K N -1.168 119.321 120.400 0.148 0.000 2.685 238 K HA 0.433 4.767 4.320 0.022 0.000 0.290 238 K C -1.438 175.173 176.600 0.019 0.000 1.018 238 K CA -1.090 55.080 56.287 -0.196 0.000 0.860 238 K CB 1.066 33.430 32.500 -0.227 0.000 1.498 238 K HN 0.064 nan 8.250 nan 0.000 0.390 239 W N 0.279 121.440 121.300 -0.232 0.000 3.060 239 W HA 0.818 5.491 4.660 0.022 0.000 0.346 239 W C -1.414 175.186 176.519 0.135 0.000 1.194 239 W CA -0.744 56.624 57.345 0.037 0.000 1.105 239 W CB 1.004 30.469 29.460 0.007 0.000 1.487 239 W HN 0.958 nan 8.180 nan 0.000 0.592 240 T N -0.448 114.262 114.554 0.261 0.000 2.652 240 T HA 0.374 4.738 4.350 0.022 0.000 0.303 240 T C -1.364 173.582 174.700 0.409 0.000 1.738 240 T CA -0.058 62.029 62.100 -0.021 0.000 0.969 240 T CB 0.605 69.469 68.868 -0.006 0.000 1.778 240 T HN 1.023 nan 8.240 nan 0.000 0.494 241 V N 0.780 120.862 119.914 0.280 0.000 2.863 241 V HA 0.648 4.781 4.120 0.022 0.000 0.307 241 V C 0.736 177.031 176.094 0.336 0.000 1.061 241 V CA -0.835 61.698 62.300 0.388 0.000 1.024 241 V CB 1.076 33.117 31.823 0.364 0.000 1.049 241 V HN 1.044 nan 8.190 nan 0.000 0.471 242 Q N 2.776 122.757 119.800 0.302 0.000 2.369 242 Q HA 0.125 4.479 4.340 0.022 0.000 0.295 242 Q C -2.104 174.000 176.000 0.175 0.000 1.075 242 Q CA -1.047 54.867 55.803 0.186 0.000 0.941 242 Q CB 0.539 29.319 28.738 0.069 0.000 1.260 242 Q HN 0.716 nan 8.270 nan 0.000 0.417 243 P HA -0.045 nan 4.420 nan 0.000 0.261 243 P C -0.895 176.452 177.300 0.079 0.000 1.183 243 P CA 0.480 63.648 63.100 0.112 0.000 0.761 243 P CB 0.380 32.131 31.700 0.085 0.000 0.785 244 I N 4.579 125.190 120.570 0.068 0.000 2.339 244 I HA 0.237 4.420 4.170 0.022 0.000 0.290 244 I C 0.225 176.342 176.117 0.000 0.000 0.994 244 I CA -0.838 60.481 61.300 0.031 0.000 1.191 244 I CB 1.624 39.638 38.000 0.023 0.000 1.343 244 I HN 0.099 nan 8.210 nan 0.000 0.458 245 V N 8.231 128.151 119.914 0.010 0.000 2.378 245 V HA 0.448 4.581 4.120 0.022 0.000 0.288 245 V C -0.301 175.809 176.094 0.027 0.000 1.016 245 V CA -0.596 61.710 62.300 0.010 0.000 0.840 245 V CB 1.746 33.576 31.823 0.011 0.000 0.994 245 V HN 0.481 nan 8.190 nan 0.000 0.431 246 L N 10.114 131.358 121.223 0.035 0.000 2.325 246 L HA 0.415 4.769 4.340 0.022 0.000 0.284 246 L C -1.623 175.318 176.870 0.118 0.000 1.089 246 L CA -1.519 53.376 54.840 0.090 0.000 0.836 246 L CB 0.967 43.071 42.059 0.075 0.000 1.184 246 L HN 0.527 nan 8.230 nan 0.000 0.444 247 P HA -0.005 nan 4.420 nan 0.000 0.269 247 P C -0.593 176.768 177.300 0.102 0.000 1.211 247 P CA -0.108 63.020 63.100 0.046 0.000 0.781 247 P CB 1.099 32.751 31.700 -0.080 0.000 0.877 248 E N 1.387 121.595 120.200 0.013 0.000 2.176 248 E HA 0.373 4.737 4.350 0.022 0.000 0.267 248 E C -0.061 176.505 176.600 -0.058 0.000 0.893 248 E CA -0.410 56.021 56.400 0.051 0.000 0.761 248 E CB 1.752 31.473 29.700 0.035 0.000 1.133 248 E HN 0.553 nan 8.360 nan 0.000 0.409 249 K N 0.535 120.921 120.400 -0.023 0.000 2.809 249 K HA 0.281 4.614 4.320 0.022 0.000 0.293 249 K C -0.925 175.680 176.600 0.008 0.000 1.061 249 K CA -0.589 55.611 56.287 -0.145 0.000 0.837 249 K CB 0.215 32.449 32.500 -0.443 0.000 1.524 249 K HN 0.157 nan 8.250 nan 0.000 0.370 250 D N -0.940 119.442 120.400 -0.030 0.000 2.474 250 D HA 0.085 4.739 4.640 0.022 0.000 0.213 250 D C -0.207 176.148 176.300 0.091 0.000 1.120 250 D CA -0.298 53.758 54.000 0.094 0.000 0.836 250 D CB 1.053 41.888 40.800 0.059 0.000 1.019 250 D HN 0.266 nan 8.370 nan 0.000 0.507 251 S N 0.321 115.978 115.700 -0.073 0.000 2.622 251 S HA 0.369 4.852 4.470 0.022 0.000 0.283 251 S C -1.616 172.892 174.600 -0.153 0.000 1.197 251 S CA -0.806 57.370 58.200 -0.040 0.000 1.146 251 S CB -0.125 63.041 63.200 -0.057 0.000 1.007 251 S HN 0.194 nan 8.310 nan 0.000 0.478 252 W N 2.813 124.108 121.300 -0.008 0.000 2.335 252 W HA 0.421 5.096 4.660 0.025 0.000 0.307 252 W C 0.933 177.448 176.519 -0.007 0.000 1.117 252 W CA -0.422 56.918 57.345 -0.008 0.000 1.228 252 W CB 1.212 30.667 29.460 -0.008 0.000 1.240 252 W HN 0.353 nan 8.180 nan 0.000 0.468 253 T N 1.642 116.290 114.554 0.157 0.000 2.918 253 T HA 0.142 4.505 4.350 0.022 0.000 0.283 253 T C 1.202 175.977 174.700 0.126 0.000 1.001 253 T CA -0.583 61.578 62.100 0.102 0.000 1.041 253 T CB 1.207 70.097 68.868 0.038 0.000 1.028 253 T HN 0.248 nan 8.240 nan 0.000 0.511 254 V N 3.685 123.649 119.914 0.082 0.000 2.317 254 V HA -0.202 3.931 4.120 0.022 0.000 0.251 254 V C 2.736 178.874 176.094 0.072 0.000 1.065 254 V CA 2.173 64.515 62.300 0.069 0.000 1.049 254 V CB -0.759 31.089 31.823 0.042 0.000 0.651 254 V HN 0.835 nan 8.190 nan 0.000 0.450 255 N N 0.158 118.894 118.700 0.059 0.000 2.069 255 N HA -0.209 4.545 4.740 0.022 0.000 0.191 255 N C 1.582 177.141 175.510 0.081 0.000 1.031 255 N CA 2.031 55.111 53.050 0.051 0.000 0.852 255 N CB -0.281 38.224 38.487 0.030 0.000 1.018 255 N HN 0.473 nan 8.380 nan 0.000 0.423 256 D N 1.059 121.526 120.400 0.111 0.000 2.103 256 D HA -0.152 4.501 4.640 0.022 0.000 0.190 256 D C 2.140 178.614 176.300 0.290 0.000 0.997 256 D CA 1.022 55.135 54.000 0.189 0.000 0.833 256 D CB -0.500 40.430 40.800 0.217 0.000 0.961 256 D HN 0.401 nan 8.370 nan 0.000 0.447 257 I N 0.810 121.543 120.570 0.271 0.000 2.163 257 I HA -0.314 3.870 4.170 0.022 0.000 0.243 257 I C 2.506 178.670 176.117 0.079 0.000 1.085 257 I CA 1.199 62.584 61.300 0.142 0.000 1.347 257 I CB -0.398 37.638 38.000 0.060 0.000 1.044 257 I HN 0.062 nan 8.210 nan 0.000 0.408 258 Q N 0.720 120.563 119.800 0.072 0.000 2.096 258 Q HA -0.208 4.145 4.340 0.022 0.000 0.204 258 Q C 2.229 178.260 176.000 0.051 0.000 0.982 258 Q CA 1.238 57.069 55.803 0.047 0.000 0.850 258 Q CB -0.131 28.631 28.738 0.039 0.000 0.901 258 Q HN 0.445 nan 8.270 nan 0.000 0.422 259 K N 0.631 121.072 120.400 0.068 0.000 2.097 259 K HA -0.113 4.221 4.320 0.022 0.000 0.205 259 K C 2.084 178.729 176.600 0.075 0.000 1.050 259 K CA 0.559 56.883 56.287 0.060 0.000 0.938 259 K CB -0.519 32.016 32.500 0.059 0.000 0.718 259 K HN 0.143 nan 8.250 nan 0.000 0.442 260 L N 1.319 122.609 121.223 0.111 0.000 1.994 260 L HA -0.144 4.209 4.340 0.022 0.000 0.208 260 L C 2.171 179.065 176.870 0.040 0.000 1.071 260 L CA 1.467 56.365 54.840 0.098 0.000 0.745 260 L CB -0.693 41.421 42.059 0.092 0.000 0.892 260 L HN -0.134 nan 8.230 nan 0.000 0.431 261 V N 0.496 120.423 119.914 0.021 0.000 2.282 261 V HA -0.281 3.853 4.120 0.022 0.000 0.249 261 V C 2.661 178.779 176.094 0.041 0.000 1.057 261 V CA 1.960 64.268 62.300 0.013 0.000 1.032 261 V CB -1.797 30.029 31.823 0.006 0.000 0.645 261 V HN 0.674 nan 8.190 nan 0.000 0.447 262 G N -0.512 108.317 108.800 0.048 0.000 2.491 262 G HA2 -0.307 3.667 3.960 0.022 0.000 0.218 262 G HA3 -0.307 3.667 3.960 0.022 0.000 0.218 262 G C 1.674 176.631 174.900 0.095 0.000 1.180 262 G CA 1.211 46.349 45.100 0.063 0.000 0.774 262 G HN 0.474 nan 8.290 nan 0.000 0.562 263 K N -0.642 119.805 120.400 0.078 0.000 2.002 263 K HA -0.020 4.313 4.320 0.022 0.000 0.209 263 K C 2.482 179.160 176.600 0.131 0.000 1.048 263 K CA 0.889 57.238 56.287 0.103 0.000 0.930 263 K CB -0.362 32.176 32.500 0.065 0.000 0.714 263 K HN 0.138 nan 8.250 nan 0.000 0.438 264 L N 2.150 123.417 121.223 0.073 0.000 2.089 264 L HA -0.266 4.087 4.340 0.022 0.000 0.213 264 L C 1.846 178.759 176.870 0.072 0.000 1.079 264 L CA 1.660 56.528 54.840 0.046 0.000 0.758 264 L CB -0.875 41.190 42.059 0.009 0.000 0.891 264 L HN 0.282 nan 8.230 nan 0.000 0.433 265 N N -1.466 117.292 118.700 0.096 0.000 2.080 265 N HA -0.262 4.491 4.740 0.022 0.000 0.189 265 N C 1.737 177.330 175.510 0.138 0.000 1.036 265 N CA 1.465 54.578 53.050 0.104 0.000 0.846 265 N CB -0.482 38.068 38.487 0.106 0.000 1.015 265 N HN 0.552 nan 8.380 nan 0.000 0.423 266 W N 2.404 123.718 121.300 0.023 0.000 2.389 266 W HA -0.148 4.526 4.660 0.024 0.000 0.267 266 W C 1.570 178.123 176.519 0.057 0.000 1.219 266 W CA 1.397 58.754 57.345 0.021 0.000 1.189 266 W CB -0.019 29.425 29.460 -0.026 0.000 1.129 266 W HN -0.001 nan 8.180 nan 0.000 0.581 267 A N -0.078 122.776 122.820 0.057 0.000 1.984 267 A HA -0.071 4.262 4.320 0.022 0.000 0.214 267 A C 2.027 179.639 177.584 0.046 0.000 1.173 267 A CA 1.267 53.340 52.037 0.060 0.000 0.673 267 A CB -0.919 18.142 19.000 0.102 0.000 0.830 267 A HN 0.170 nan 8.150 nan 0.000 0.453 268 S N 0.770 116.480 115.700 0.017 0.000 2.440 268 S HA -0.244 4.240 4.470 0.022 0.000 0.240 268 S C 1.960 176.538 174.600 -0.036 0.000 1.014 268 S CA 1.569 59.772 58.200 0.006 0.000 0.980 268 S CB -0.435 62.771 63.200 0.011 0.000 0.775 268 S HN 0.886 nan 8.310 nan 0.000 0.499 269 Q N -0.203 119.561 119.800 -0.060 0.000 2.500 269 Q HA 0.087 4.441 4.340 0.022 0.000 0.213 269 Q C 1.573 177.605 176.000 0.052 0.000 0.974 269 Q CA 0.937 56.742 55.803 0.004 0.000 0.918 269 Q CB -0.092 28.663 28.738 0.028 0.000 0.980 269 Q HN 0.563 nan 8.270 nan 0.000 0.505 270 I N -1.782 118.756 120.570 -0.053 0.000 4.547 270 I HA 0.178 4.362 4.170 0.022 0.000 0.303 270 I C -0.722 175.236 176.117 -0.265 0.000 1.188 270 I CA -0.404 60.768 61.300 -0.213 0.000 1.320 270 I CB 0.893 38.636 38.000 -0.428 0.000 1.495 270 I HN -0.015 nan 8.210 nan 0.000 0.462 271 Y N 5.026 125.254 120.300 -0.120 0.000 2.452 271 Y HA 0.425 4.987 4.550 0.021 0.000 0.348 271 Y C -2.133 173.717 175.900 -0.083 0.000 0.985 271 Y CA -2.405 55.637 58.100 -0.097 0.000 1.214 271 Y CB 0.058 38.476 38.460 -0.070 0.000 1.136 271 Y HN 0.086 nan 8.280 nan 0.000 0.523 272 P HA 0.281 nan 4.420 nan 0.000 0.284 272 P C 0.619 177.935 177.300 0.028 0.000 1.253 272 P CA 0.157 63.258 63.100 0.002 0.000 0.800 272 P CB 1.920 33.600 31.700 -0.033 0.000 0.961 273 G N 2.492 111.300 108.800 0.013 0.000 2.218 273 G HA2 -0.177 3.797 3.960 0.022 0.000 0.216 273 G HA3 -0.177 3.797 3.960 0.022 0.000 0.216 273 G C 0.172 175.073 174.900 0.002 0.000 0.994 273 G CA -0.493 44.612 45.100 0.008 0.000 0.637 273 G HN 0.453 nan 8.290 nan 0.000 0.505 274 I N 1.801 122.377 120.570 0.011 0.000 2.668 274 I HA 0.261 4.444 4.170 0.022 0.000 0.285 274 I C 0.659 176.771 176.117 -0.008 0.000 1.168 274 I CA 0.820 62.118 61.300 -0.004 0.000 1.424 274 I CB 0.448 38.453 38.000 0.007 0.000 1.377 274 I HN 0.172 nan 8.210 nan 0.000 0.560 275 K N 4.751 125.138 120.400 -0.022 0.000 2.375 275 K HA 0.586 4.920 4.320 0.022 0.000 0.249 275 K C -0.051 176.529 176.600 -0.034 0.000 0.942 275 K CA -0.614 55.659 56.287 -0.024 0.000 0.806 275 K CB 2.870 35.352 32.500 -0.030 0.000 1.227 275 K HN 0.268 nan 8.250 nan 0.000 0.430 276 V N 1.482 121.379 119.914 -0.029 0.000 3.382 276 V HA 0.047 4.181 4.120 0.022 0.000 0.296 276 V C 1.730 177.800 176.094 -0.039 0.000 1.529 276 V CA -0.131 62.147 62.300 -0.037 0.000 1.048 276 V CB 0.303 32.113 31.823 -0.021 0.000 0.878 276 V HN 0.744 nan 8.190 nan 0.000 0.442 277 R N 1.104 121.584 120.500 -0.033 0.000 2.136 277 R HA -0.271 4.083 4.340 0.022 0.000 0.242 277 R C 2.221 178.496 176.300 -0.042 0.000 1.131 277 R CA 2.519 58.599 56.100 -0.033 0.000 0.937 277 R CB -0.036 30.244 30.300 -0.034 0.000 0.863 277 R HN 0.453 nan 8.270 nan 0.000 0.435 278 Q N -0.041 119.728 119.800 -0.052 0.000 2.119 278 Q HA -0.058 4.295 4.340 0.022 0.000 0.201 278 Q C 0.874 176.827 176.000 -0.078 0.000 0.972 278 Q CA 0.576 56.342 55.803 -0.062 0.000 0.847 278 Q CB -0.221 28.477 28.738 -0.067 0.000 0.903 278 Q HN 0.207 nan 8.270 nan 0.000 0.433 282 L N 1.942 123.142 121.223 -0.039 0.000 2.265 282 L HA -0.077 4.276 4.340 0.022 0.000 0.215 282 L C 1.635 178.497 176.870 -0.014 0.000 1.117 282 L CA 1.259 56.080 54.840 -0.032 0.000 0.782 282 L CB -0.246 41.782 42.059 -0.052 0.000 0.914 282 L HN 0.215 nan 8.230 nan 0.000 0.441 283 L N -0.729 120.487 121.223 -0.012 0.000 2.552 283 L HA 0.013 4.366 4.340 0.022 0.000 0.227 283 L C 1.001 177.871 176.870 0.000 0.000 1.146 283 L CA 0.510 55.349 54.840 -0.001 0.000 0.858 283 L CB -1.085 40.974 42.059 0.000 0.000 0.969 283 L HN 0.238 nan 8.230 nan 0.000 0.451 284 R N 0.213 120.711 120.500 -0.004 0.000 2.502 284 R HA 0.206 4.559 4.340 0.022 0.000 0.292 284 R C 1.382 177.682 176.300 0.001 0.000 0.998 284 R CA 0.722 56.820 56.100 -0.002 0.000 1.056 284 R CB -0.058 30.239 30.300 -0.005 0.000 0.939 284 R HN 0.341 nan 8.270 nan 0.000 0.411 285 G N 1.947 110.749 108.800 0.002 0.000 2.220 285 G HA2 -0.383 3.590 3.960 0.022 0.000 0.269 285 G HA3 -0.383 3.590 3.960 0.022 0.000 0.269 285 G C 0.439 175.343 174.900 0.006 0.000 0.977 285 G CA 0.752 45.855 45.100 0.004 0.000 0.634 285 G HN 0.811 nan 8.290 nan 0.000 0.539 286 T N -0.895 113.663 114.554 0.008 0.000 2.923 286 T HA 0.313 4.676 4.350 0.022 0.000 0.309 286 T C 1.142 175.849 174.700 0.010 0.000 1.059 286 T CA 1.108 63.215 62.100 0.011 0.000 1.133 286 T CB 0.948 69.825 68.868 0.014 0.000 1.053 286 T HN 1.007 nan 8.240 nan 0.000 0.530 287 K N 0.734 121.141 120.400 0.011 0.000 2.374 287 K HA 0.624 4.957 4.320 0.022 0.000 0.202 287 K C 0.119 176.724 176.600 0.010 0.000 1.040 287 K CA -0.441 55.852 56.287 0.009 0.000 1.085 287 K CB 0.657 33.162 32.500 0.008 0.000 0.873 287 K HN 0.861 nan 8.250 nan 0.000 0.539 288 A N 0.656 123.483 122.820 0.012 0.000 2.580 288 A HA 0.274 4.607 4.320 0.022 0.000 0.301 288 A C -0.193 177.400 177.584 0.015 0.000 1.054 288 A CA -0.751 51.293 52.037 0.011 0.000 0.751 288 A CB 0.432 19.438 19.000 0.009 0.000 1.275 288 A HN 0.021 nan 8.150 nan 0.000 0.403 289 L N 1.438 122.670 121.223 0.014 0.000 2.351 289 L HA -0.102 4.251 4.340 0.022 0.000 0.220 289 L C 2.358 179.240 176.870 0.020 0.000 1.127 289 L CA 2.787 57.638 54.840 0.018 0.000 0.786 289 L CB -1.189 40.878 42.059 0.013 0.000 0.914 289 L HN 0.968 nan 8.230 nan 0.000 0.443 290 T N -4.340 110.223 114.554 0.015 0.000 3.145 290 T HA 0.124 4.488 4.350 0.022 0.000 0.255 290 T C 0.617 175.327 174.700 0.016 0.000 1.039 290 T CA -0.414 61.694 62.100 0.012 0.000 0.928 290 T CB -0.040 68.830 68.868 0.004 0.000 1.029 290 T HN 0.304 nan 8.240 nan 0.000 0.554 291 E N 1.453 121.667 120.200 0.022 0.000 2.331 291 E HA 0.372 4.735 4.350 0.022 0.000 0.272 291 E C -0.942 175.682 176.600 0.039 0.000 1.036 291 E CA -0.567 55.848 56.400 0.025 0.000 0.864 291 E CB 1.044 30.758 29.700 0.023 0.000 1.035 291 E HN 0.083 nan 8.360 nan 0.000 0.408 292 V N 5.638 125.576 119.914 0.040 0.000 2.439 292 V HA 0.261 4.394 4.120 0.022 0.000 0.282 292 V C -0.053 176.080 176.094 0.064 0.000 1.039 292 V CA -0.690 61.647 62.300 0.061 0.000 0.913 292 V CB 1.222 33.075 31.823 0.050 0.000 0.983 292 V HN 0.552 nan 8.190 nan 0.000 0.460 293 I N 6.852 127.475 120.570 0.089 0.000 2.382 293 I HA 0.411 4.594 4.170 0.022 0.000 0.286 293 I C -2.192 173.972 176.117 0.077 0.000 1.002 293 I CA -2.549 58.790 61.300 0.065 0.000 1.135 293 I CB 1.698 39.725 38.000 0.045 0.000 1.288 293 I HN 0.438 nan 8.210 nan 0.000 0.448 294 P HA 0.228 nan 4.420 nan 0.000 0.275 294 P C -0.463 176.846 177.300 0.015 0.000 1.227 294 P CA -0.415 62.719 63.100 0.057 0.000 0.781 294 P CB 1.213 32.936 31.700 0.040 0.000 0.906 295 L N 3.041 124.264 121.223 -0.001 0.000 2.462 295 L HA 0.094 4.448 4.340 0.022 0.000 0.272 295 L C 1.726 178.567 176.870 -0.049 0.000 1.166 295 L CA -0.118 54.676 54.840 -0.077 0.000 0.880 295 L CB 0.069 42.042 42.059 -0.144 0.000 1.142 295 L HN 0.528 nan 8.230 nan 0.000 0.473 296 T N -1.141 113.379 114.554 -0.057 0.000 2.701 296 T HA -0.037 4.326 4.350 0.022 0.000 0.303 296 T C 0.986 175.660 174.700 -0.044 0.000 1.030 296 T CA -0.413 61.662 62.100 -0.041 0.000 1.010 296 T CB 0.965 69.808 68.868 -0.042 0.000 1.007 296 T HN 0.740 nan 8.240 nan 0.000 0.532 297 E N -0.229 119.951 120.200 -0.032 0.000 2.274 297 E HA -0.132 4.231 4.350 0.022 0.000 0.194 297 E C 1.712 178.289 176.600 -0.038 0.000 0.996 297 E CA 0.840 57.222 56.400 -0.030 0.000 0.840 297 E CB 0.004 29.691 29.700 -0.021 0.000 0.772 297 E HN 0.746 nan 8.360 nan 0.000 0.491 298 E N 0.044 120.218 120.200 -0.043 0.000 2.122 298 E HA 0.003 4.366 4.350 0.022 0.000 0.190 298 E C 1.752 178.313 176.600 -0.065 0.000 0.977 298 E CA 1.040 57.412 56.400 -0.048 0.000 0.820 298 E CB -0.099 29.575 29.700 -0.043 0.000 0.770 298 E HN 0.352 nan 8.360 nan 0.000 0.462 299 A N 1.104 123.875 122.820 -0.082 0.000 1.930 299 A HA -0.172 4.161 4.320 0.022 0.000 0.217 299 A C 1.916 179.418 177.584 -0.137 0.000 1.175 299 A CA 1.230 53.194 52.037 -0.121 0.000 0.627 299 A CB -0.305 18.606 19.000 -0.148 0.000 0.815 299 A HN 0.060 nan 8.150 nan 0.000 0.443 300 E N -0.460 119.675 120.200 -0.108 0.000 2.077 300 E HA -0.171 4.193 4.350 0.022 0.000 0.193 300 E C 1.966 178.525 176.600 -0.070 0.000 0.989 300 E CA 1.092 57.438 56.400 -0.090 0.000 0.800 300 E CB -0.454 29.216 29.700 -0.051 0.000 0.746 300 E HN 0.506 nan 8.360 nan 0.000 0.452 301 L N 1.566 122.753 121.223 -0.059 0.000 2.046 301 L HA -0.153 4.200 4.340 0.022 0.000 0.208 301 L C 2.288 179.126 176.870 -0.054 0.000 1.077 301 L CA 1.807 56.620 54.840 -0.046 0.000 0.747 301 L CB -0.332 41.704 42.059 -0.039 0.000 0.896 301 L HN 0.082 nan 8.230 nan 0.000 0.432 302 E N -0.590 119.569 120.200 -0.069 0.000 2.017 302 E HA -0.253 4.110 4.350 0.022 0.000 0.193 302 E C 2.319 178.871 176.600 -0.081 0.000 0.997 302 E CA 1.531 57.887 56.400 -0.072 0.000 0.804 302 E CB -0.316 29.333 29.700 -0.084 0.000 0.757 302 E HN 0.532 nan 8.360 nan 0.000 0.448 303 L N 0.508 121.665 121.223 -0.109 0.000 1.971 303 L HA -0.282 4.071 4.340 0.022 0.000 0.215 303 L C 2.532 179.362 176.870 -0.066 0.000 1.072 303 L CA 1.803 56.575 54.840 -0.113 0.000 0.758 303 L CB -0.511 41.450 42.059 -0.163 0.000 0.889 303 L HN 0.274 nan 8.230 nan 0.000 0.433 304 A N -0.331 122.458 122.820 -0.051 0.000 1.903 304 A HA -0.311 4.022 4.320 0.022 0.000 0.219 304 A C 1.999 179.563 177.584 -0.033 0.000 1.191 304 A CA 2.270 54.288 52.037 -0.031 0.000 0.638 304 A CB -0.757 18.229 19.000 -0.024 0.000 0.823 304 A HN 0.668 nan 8.150 nan 0.000 0.451 305 E N -0.464 119.713 120.200 -0.039 0.000 2.110 305 E HA -0.167 4.197 4.350 0.022 0.000 0.193 305 E C 1.720 178.294 176.600 -0.042 0.000 0.988 305 E CA 1.044 57.423 56.400 -0.035 0.000 0.804 305 E CB -0.230 29.449 29.700 -0.034 0.000 0.745 305 E HN 0.600 nan 8.360 nan 0.000 0.458 306 N N 0.908 119.575 118.700 -0.055 0.000 2.171 306 N HA -0.063 4.690 4.740 0.022 0.000 0.184 306 N C 1.763 177.222 175.510 -0.085 0.000 1.021 306 N CA 0.641 53.648 53.050 -0.072 0.000 0.854 306 N CB -0.180 38.262 38.487 -0.075 0.000 0.994 306 N HN 0.113 nan 8.380 nan 0.000 0.426 307 R N 1.125 121.589 120.500 -0.061 0.000 2.112 307 R HA -0.132 4.222 4.340 0.022 0.000 0.242 307 R C 1.910 178.176 176.300 -0.056 0.000 1.137 307 R CA 1.258 57.328 56.100 -0.050 0.000 0.944 307 R CB -0.136 30.152 30.300 -0.020 0.000 0.857 307 R HN 0.231 nan 8.270 nan 0.000 0.435 308 E N 0.661 120.837 120.200 -0.040 0.000 2.038 308 E HA -0.202 4.161 4.350 0.022 0.000 0.195 308 E C 2.097 178.678 176.600 -0.031 0.000 1.000 308 E CA 1.301 57.685 56.400 -0.028 0.000 0.803 308 E CB -0.330 29.359 29.700 -0.018 0.000 0.750 308 E HN 0.380 nan 8.360 nan 0.000 0.448 309 I N 0.836 121.381 120.570 -0.041 0.000 2.151 309 I HA -0.309 3.875 4.170 0.022 0.000 0.243 309 I C 2.499 178.560 176.117 -0.093 0.000 1.080 309 I CA 1.092 62.378 61.300 -0.024 0.000 1.339 309 I CB -0.350 37.637 38.000 -0.022 0.000 1.039 309 I HN 0.073 nan 8.210 nan 0.000 0.409 310 L N 0.439 121.506 121.223 -0.260 0.000 2.141 310 L HA -0.189 4.165 4.340 0.022 0.000 0.209 310 L C 2.658 179.417 176.870 -0.184 0.000 1.094 310 L CA 0.865 55.417 54.840 -0.479 0.000 0.763 310 L CB -0.713 41.111 42.059 -0.393 0.000 0.908 310 L HN 0.256 nan 8.230 nan 0.000 0.437 311 K N 1.996 122.348 120.400 -0.079 0.000 2.089 311 K HA -0.188 4.145 4.320 0.022 0.000 0.210 311 K C 0.464 177.082 176.600 0.030 0.000 1.048 311 K CA 1.472 57.749 56.287 -0.017 0.000 0.926 311 K CB -0.111 32.383 32.500 -0.010 0.000 0.714 311 K HN 0.532 nan 8.250 nan 0.000 0.448 312 E N 1.829 122.065 120.200 0.060 0.000 2.146 312 E HA 0.329 4.693 4.350 0.022 0.000 0.282 312 E C -2.555 174.150 176.600 0.175 0.000 0.989 312 E CA -2.606 53.846 56.400 0.087 0.000 0.799 312 E CB 1.046 30.779 29.700 0.055 0.000 1.088 312 E HN -0.020 nan 8.360 nan 0.000 0.397 313 P HA -0.061 nan 4.420 nan 0.000 0.265 313 P C -0.722 176.570 177.300 -0.013 0.000 1.193 313 P CA -0.127 63.064 63.100 0.151 0.000 0.765 313 P CB 0.856 32.624 31.700 0.113 0.000 0.823 314 V N 3.768 123.535 119.914 -0.244 0.000 3.113 314 V HA 0.758 4.891 4.120 0.022 0.000 0.316 314 V C -1.211 174.594 176.094 -0.482 0.000 1.125 314 V CA -0.510 61.483 62.300 -0.512 0.000 1.026 314 V CB 1.965 33.316 31.823 -0.788 0.000 1.080 314 V HN 0.858 nan 8.190 nan 0.000 0.444 315 H N 0.938 119.753 119.070 -0.424 0.000 3.038 315 H HA 0.760 5.330 4.556 0.024 0.000 0.362 315 H C -0.374 174.592 175.328 -0.604 0.000 1.167 315 H CA -0.228 55.522 56.048 -0.495 0.000 1.197 315 H CB 1.203 30.780 29.762 -0.309 0.000 1.840 315 H HN 0.876 nan 8.280 nan 0.000 0.540 316 G N 0.980 109.220 108.800 -0.934 0.000 2.400 316 G HA2 0.466 4.440 3.960 0.022 0.000 0.301 316 G HA3 0.466 4.440 3.960 0.022 0.000 0.301 316 G C -0.770 173.986 174.900 -0.239 0.000 1.154 316 G CA -0.472 44.116 45.100 -0.854 0.000 0.852 316 G HN 0.641 nan 8.290 nan 0.000 0.511 317 V N 1.790 121.773 119.914 0.115 0.000 2.973 317 V HA 0.640 4.773 4.120 0.022 0.000 0.314 317 V C -0.709 175.532 176.094 0.246 0.000 1.066 317 V CA -0.913 61.457 62.300 0.115 0.000 1.021 317 V CB 1.216 33.119 31.823 0.133 0.000 1.076 317 V HN 0.567 nan 8.190 nan 0.000 0.462 318 Y N 2.653 123.155 120.300 0.336 0.000 2.374 318 Y HA 0.329 4.893 4.550 0.023 0.000 0.322 318 Y C 0.066 176.143 175.900 0.295 0.000 1.275 318 Y CA -0.594 57.688 58.100 0.303 0.000 1.307 318 Y CB 0.473 39.059 38.460 0.211 0.000 1.282 318 Y HN 0.658 nan 8.280 nan 0.000 0.509 319 Y N 1.894 122.420 120.300 0.376 0.000 2.620 319 Y HA 0.044 4.607 4.550 0.022 0.000 0.330 319 Y C -0.093 175.895 175.900 0.147 0.000 1.186 319 Y CA -0.187 58.052 58.100 0.231 0.000 1.467 319 Y CB 0.448 39.104 38.460 0.327 0.000 1.262 319 Y HN 0.561 nan 8.280 nan 0.000 0.550 320 D N 8.872 129.114 120.400 -0.264 0.000 2.438 320 D HA 0.281 4.935 4.640 0.022 0.000 0.257 320 D C -2.093 173.822 176.300 -0.642 0.000 1.148 320 D CA -2.670 51.122 54.000 -0.347 0.000 0.902 320 D CB 1.534 42.267 40.800 -0.112 0.000 1.062 320 D HN 0.293 nan 8.370 nan 0.000 0.518 321 P HA -0.200 nan 4.420 nan 0.000 0.218 321 P C 1.297 178.444 177.300 -0.254 0.000 1.150 321 P CA 1.114 63.827 63.100 -0.645 0.000 0.841 321 P CB 0.342 31.831 31.700 -0.351 0.000 0.784 322 S N -0.830 114.753 115.700 -0.195 0.000 2.372 322 S HA -0.167 4.316 4.470 0.022 0.000 0.227 322 S C 0.950 175.506 174.600 -0.074 0.000 1.044 322 S CA 1.440 59.580 58.200 -0.100 0.000 1.050 322 S CB -0.620 62.534 63.200 -0.077 0.000 0.901 322 S HN 0.330 nan 8.310 nan 0.000 0.447 323 K N 1.160 121.509 120.400 -0.085 0.000 2.132 323 K HA 0.338 4.671 4.320 0.022 0.000 0.241 323 K C -0.588 175.991 176.600 -0.034 0.000 1.000 323 K CA -0.757 55.502 56.287 -0.047 0.000 0.911 323 K CB 0.455 32.936 32.500 -0.032 0.000 1.093 323 K HN 0.026 nan 8.250 nan 0.000 0.460 324 D N 0.846 121.224 120.400 -0.038 0.000 2.344 324 D HA 0.178 4.831 4.640 0.022 0.000 0.244 324 D C -0.361 175.865 176.300 -0.123 0.000 1.134 324 D CA -0.035 53.928 54.000 -0.063 0.000 0.930 324 D CB 0.853 41.612 40.800 -0.068 0.000 1.175 324 D HN 0.179 nan 8.370 nan 0.000 0.437 325 L N 2.136 123.237 121.223 -0.204 0.000 2.295 325 L HA 0.355 4.708 4.340 0.022 0.000 0.285 325 L C -0.357 176.251 176.870 -0.436 0.000 1.035 325 L CA -0.674 53.942 54.840 -0.373 0.000 0.806 325 L CB 1.254 43.020 42.059 -0.487 0.000 1.214 325 L HN 0.116 nan 8.230 nan 0.000 0.426 326 I N 2.729 122.932 120.570 -0.611 0.000 2.509 326 I HA 0.595 4.779 4.170 0.022 0.000 0.293 326 I C 0.010 175.587 176.117 -0.899 0.000 1.020 326 I CA -0.688 60.167 61.300 -0.741 0.000 1.088 326 I CB 1.751 39.243 38.000 -0.848 0.000 1.267 326 I HN 0.555 nan 8.210 nan 0.000 0.430 327 A N 5.101 127.463 122.820 -0.763 0.000 2.331 327 A HA 0.709 5.043 4.320 0.022 0.000 0.320 327 A C -0.518 176.851 177.584 -0.359 0.000 1.138 327 A CA -0.543 51.122 52.037 -0.621 0.000 0.790 327 A CB 1.465 19.892 19.000 -0.955 0.000 1.206 327 A HN 0.762 nan 8.150 nan 0.000 0.470 328 E N 1.996 122.113 120.200 -0.138 0.000 2.222 328 E HA 0.676 5.039 4.350 0.022 0.000 0.267 328 E C -1.460 175.213 176.600 0.121 0.000 0.884 328 E CA -0.453 55.952 56.400 0.007 0.000 0.764 328 E CB 1.363 31.094 29.700 0.052 0.000 1.169 328 E HN 0.637 nan 8.360 nan 0.000 0.413 329 I N 3.298 123.950 120.570 0.137 0.000 2.498 329 I HA 0.304 4.487 4.170 0.022 0.000 0.290 329 I C -0.801 175.448 176.117 0.220 0.000 1.032 329 I CA -0.771 60.653 61.300 0.205 0.000 1.073 329 I CB 1.965 40.057 38.000 0.152 0.000 1.251 329 I HN 0.481 nan 8.210 nan 0.000 0.426 330 Q N 4.233 124.191 119.800 0.264 0.000 2.451 330 Q HA 0.477 4.830 4.340 0.022 0.000 0.281 330 Q C -0.966 175.127 176.000 0.155 0.000 1.099 330 Q CA -0.959 54.958 55.803 0.190 0.000 0.806 330 Q CB 2.639 31.427 28.738 0.083 0.000 1.419 330 Q HN 0.355 nan 8.270 nan 0.000 0.427 331 K N 1.395 121.724 120.400 -0.118 0.000 2.213 331 K HA 0.251 4.585 4.320 0.022 0.000 0.270 331 K C -0.880 175.513 176.600 -0.345 0.000 1.002 331 K CA -0.313 55.592 56.287 -0.637 0.000 0.868 331 K CB 0.720 32.719 32.500 -0.834 0.000 1.093 331 K HN 0.717 nan 8.250 nan 0.000 0.454 332 Q N 2.565 122.165 119.800 -0.335 0.000 2.656 332 Q HA 0.402 4.756 4.340 0.022 0.000 0.389 332 Q C -0.279 175.610 176.000 -0.185 0.000 0.883 332 Q CA -0.707 54.988 55.803 -0.181 0.000 1.056 332 Q CB 1.056 29.738 28.738 -0.093 0.000 1.391 332 Q HN 0.773 nan 8.270 nan 0.000 0.399 333 G N 0.574 109.237 108.800 -0.229 0.000 2.428 333 G HA2 -0.157 3.816 3.960 0.022 0.000 0.681 333 G HA3 -0.157 3.816 3.960 0.022 0.000 0.681 333 G C -1.515 173.256 174.900 -0.215 0.000 1.340 333 G CA -1.005 43.991 45.100 -0.173 0.000 0.915 333 G HN 0.437 nan 8.290 nan 0.000 0.645 334 Q N 0.247 119.965 119.800 -0.136 0.000 2.239 334 Q HA 0.390 4.744 4.340 0.022 0.000 0.286 334 Q C 1.556 177.512 176.000 -0.072 0.000 1.102 334 Q CA 1.754 57.494 55.803 -0.105 0.000 0.936 334 Q CB -0.204 28.491 28.738 -0.072 0.000 1.127 334 Q HN 2.557 nan 8.270 nan 0.000 0.380 335 G N 3.368 112.149 108.800 -0.032 0.000 2.168 335 G HA2 -0.315 3.658 3.960 0.022 0.000 0.257 335 G HA3 -0.315 3.658 3.960 0.022 0.000 0.257 335 G C -0.162 174.784 174.900 0.076 0.000 0.997 335 G CA 0.575 45.743 45.100 0.115 0.000 0.708 335 G HN 0.583 nan 8.290 nan 0.000 0.520 336 Q N -0.648 119.030 119.800 -0.204 0.000 2.357 336 Q HA 0.623 4.977 4.340 0.022 0.000 0.266 336 Q C -0.813 174.941 176.000 -0.410 0.000 1.021 336 Q CA -0.665 55.042 55.803 -0.160 0.000 0.784 336 Q CB 0.661 29.323 28.738 -0.128 0.000 1.243 336 Q HN 0.368 nan 8.270 nan 0.000 0.465 337 W N 1.618 123.011 121.300 0.154 0.000 2.689 337 W HA 0.705 5.382 4.660 0.028 0.000 0.340 337 W C -0.284 176.341 176.519 0.177 0.000 1.060 337 W CA -0.660 56.775 57.345 0.150 0.000 1.218 337 W CB 1.907 31.455 29.460 0.146 0.000 1.410 337 W HN 0.524 nan 8.180 nan 0.000 0.528 338 T N -0.291 114.477 114.554 0.357 0.000 2.909 338 T HA 0.785 5.148 4.350 0.022 0.000 0.299 338 T C -1.275 173.611 174.700 0.309 0.000 1.073 338 T CA -0.792 61.451 62.100 0.239 0.000 0.999 338 T CB 1.675 70.598 68.868 0.092 0.000 1.098 338 T HN 0.538 nan 8.240 nan 0.000 0.477 339 Y N -0.373 120.001 120.300 0.125 0.000 2.655 339 Y HA 0.800 5.362 4.550 0.020 0.000 0.336 339 Y C -1.495 174.442 175.900 0.061 0.000 1.154 339 Y CA -1.331 56.821 58.100 0.087 0.000 1.055 339 Y CB 1.589 40.101 38.460 0.088 0.000 1.295 339 Y HN 0.805 nan 8.280 nan 0.000 0.465 340 Q N 2.312 122.210 119.800 0.163 0.000 2.340 340 Q HA 0.576 4.930 4.340 0.022 0.000 0.276 340 Q C -1.790 174.267 176.000 0.095 0.000 1.048 340 Q CA -0.766 55.078 55.803 0.067 0.000 0.832 340 Q CB 3.046 31.813 28.738 0.048 0.000 1.373 340 Q HN 0.912 nan 8.270 nan 0.000 0.409 341 I N 2.881 123.492 120.570 0.068 0.000 2.389 341 I HA 0.520 4.704 4.170 0.022 0.000 0.288 341 I C -0.976 175.072 176.117 -0.113 0.000 0.999 341 I CA -0.967 60.244 61.300 -0.148 0.000 1.129 341 I CB 0.925 38.857 38.000 -0.114 0.000 1.288 341 I HN 0.651 nan 8.210 nan 0.000 0.444 342 Y N 3.225 123.419 120.300 -0.178 0.000 2.669 342 Y HA 0.582 5.144 4.550 0.020 0.000 0.335 342 Y C 0.066 175.867 175.900 -0.164 0.000 1.116 342 Y CA -0.922 57.094 58.100 -0.140 0.000 1.081 342 Y CB 1.069 39.460 38.460 -0.115 0.000 1.297 342 Y HN 0.429 nan 8.280 nan 0.000 0.484 343 Q N -0.214 119.682 119.800 0.160 0.000 2.534 343 Q HA 0.161 4.514 4.340 0.022 0.000 0.252 343 Q C -0.553 175.549 176.000 0.169 0.000 0.850 343 Q CA 0.062 55.905 55.803 0.066 0.000 0.974 343 Q CB 1.203 29.953 28.738 0.020 0.000 1.205 343 Q HN 0.772 nan 8.270 nan 0.000 0.593 344 E N 2.132 122.435 120.200 0.172 0.000 2.151 344 E HA 0.241 4.604 4.350 0.022 0.000 0.275 344 E C -2.554 174.084 176.600 0.063 0.000 0.936 344 E CA -2.593 53.873 56.400 0.110 0.000 0.777 344 E CB 1.333 31.071 29.700 0.065 0.000 1.108 344 E HN -0.202 nan 8.360 nan 0.000 0.401 345 P HA -0.165 nan 4.420 nan 0.000 0.247 345 P C -0.772 176.537 177.300 0.015 0.000 1.115 345 P CA 1.036 64.072 63.100 -0.106 0.000 0.799 345 P CB -0.167 31.602 31.700 0.116 0.000 0.721 346 F N 0.598 120.076 119.950 -0.788 0.000 2.705 346 F HA -0.265 4.273 4.527 0.018 0.000 0.413 346 F C 1.023 176.671 175.800 -0.252 0.000 0.588 346 F CA 0.998 58.710 58.000 -0.479 0.000 1.187 346 F CB -1.542 37.280 39.000 -0.297 0.000 1.737 346 F HN 0.315 nan 8.300 nan 0.000 0.285 347 K N 2.137 122.529 120.400 -0.014 0.000 2.150 347 K HA 0.151 4.484 4.320 0.022 0.000 0.261 347 K C 0.001 176.652 176.600 0.085 0.000 1.127 347 K CA -0.315 55.998 56.287 0.042 0.000 0.989 347 K CB -0.017 32.520 32.500 0.062 0.000 1.475 347 K HN 0.050 nan 8.250 nan 0.000 0.391 348 N N 2.948 121.679 118.700 0.052 0.000 2.447 348 N HA -0.029 4.725 4.740 0.022 0.000 0.263 348 N C 1.067 176.666 175.510 0.149 0.000 1.226 348 N CA 0.221 53.327 53.050 0.093 0.000 0.906 348 N CB 0.706 39.198 38.487 0.007 0.000 1.060 348 N HN 0.390 nan 8.380 nan 0.000 0.468 349 L N 1.347 122.702 121.223 0.219 0.000 2.202 349 L HA 0.161 4.515 4.340 0.022 0.000 0.205 349 L C 1.048 178.240 176.870 0.536 0.000 1.083 349 L CA 0.804 55.870 54.840 0.377 0.000 0.790 349 L CB 0.056 42.280 42.059 0.276 0.000 0.942 349 L HN 0.482 nan 8.230 nan 0.000 0.452 350 K N -0.656 119.961 120.400 0.362 0.000 2.610 350 K HA 0.318 4.651 4.320 0.022 0.000 0.278 350 K C -1.222 175.471 176.600 0.155 0.000 0.964 350 K CA -0.291 56.218 56.287 0.370 0.000 0.859 350 K CB 2.051 34.790 32.500 0.398 0.000 1.434 350 K HN -0.012 nan 8.250 nan 0.000 0.410 351 T N -1.319 113.252 114.554 0.028 0.000 2.742 351 T HA 0.947 5.310 4.350 0.022 0.000 0.282 351 T C 0.002 174.406 174.700 -0.492 0.000 1.025 351 T CA -0.312 61.648 62.100 -0.233 0.000 1.020 351 T CB 1.995 70.757 68.868 -0.178 0.000 1.317 351 T HN 0.829 nan 8.240 nan 0.000 0.538 352 G N -0.142 108.137 108.800 -0.870 0.000 2.338 352 G HA2 0.509 4.483 3.960 0.022 0.000 0.295 352 G HA3 0.509 4.483 3.960 0.022 0.000 0.295 352 G C -2.124 172.511 174.900 -0.442 0.000 1.461 352 G CA -1.013 43.662 45.100 -0.707 0.000 0.817 352 G HN 0.775 nan 8.290 nan 0.000 0.556 353 K N -0.876 119.555 120.400 0.051 0.000 2.350 353 K HA 0.673 5.006 4.320 0.022 0.000 0.241 353 K C -1.866 174.997 176.600 0.439 0.000 0.994 353 K CA -0.977 55.457 56.287 0.244 0.000 0.839 353 K CB 2.903 35.488 32.500 0.142 0.000 1.244 353 K HN 0.563 nan 8.250 nan 0.000 0.443 354 Y N -0.608 119.877 120.300 0.309 0.000 2.401 354 Y HA 0.450 5.013 4.550 0.022 0.000 0.330 354 Y C -1.010 175.065 175.900 0.292 0.000 1.071 354 Y CA -0.396 57.863 58.100 0.266 0.000 1.049 354 Y CB 1.795 40.389 38.460 0.222 0.000 1.239 354 Y HN 0.660 nan 8.280 nan 0.000 0.437 355 A N 5.164 127.983 122.820 -0.001 0.000 2.548 355 A HA 0.243 4.577 4.320 0.022 0.000 0.236 355 A C 0.539 178.071 177.584 -0.087 0.000 1.246 355 A CA -0.442 51.647 52.037 0.087 0.000 0.993 355 A CB 0.027 19.055 19.000 0.045 0.000 1.209 355 A HN 0.670 nan 8.150 nan 0.000 0.570 356 R N 0.678 120.848 120.500 -0.550 0.000 2.614 356 R HA 0.001 4.354 4.340 0.022 0.000 0.335 356 R C -0.131 176.124 176.300 -0.074 0.000 0.859 356 R CA 0.352 56.190 56.100 -0.437 0.000 1.123 356 R CB -0.161 29.674 30.300 -0.774 0.000 0.887 356 R HN 0.306 nan 8.270 nan 0.000 0.407 357 M N 5.964 125.560 119.600 -0.008 0.000 2.365 357 M HA 0.213 4.707 4.480 0.022 0.000 0.350 357 M C -0.795 175.529 176.300 0.039 0.000 1.274 357 M CA 0.140 55.473 55.300 0.055 0.000 1.252 357 M CB 0.587 33.210 32.600 0.039 0.000 1.297 357 M HN 0.386 nan 8.290 nan 0.000 0.438 358 R N 3.989 124.531 120.500 0.069 0.000 2.220 358 R HA 0.636 4.989 4.340 0.022 0.000 0.340 358 R C 0.148 176.488 176.300 0.066 0.000 1.076 358 R CA 0.341 56.481 56.100 0.067 0.000 0.920 358 R CB 0.149 30.505 30.300 0.093 0.000 1.062 358 R HN 1.035 nan 8.270 nan 0.000 0.469 359 G N 1.264 110.089 108.800 0.042 0.000 2.663 359 G HA2 -0.137 3.837 3.960 0.022 0.000 0.686 359 G HA3 -0.137 3.837 3.960 0.022 0.000 0.686 359 G C 0.481 175.344 174.900 -0.062 0.000 1.246 359 G CA -0.482 44.633 45.100 0.024 0.000 0.795 359 G HN 0.557 nan 8.290 nan 0.000 0.627 360 A N 0.768 123.474 122.820 -0.191 0.000 1.908 360 A HA 0.216 4.550 4.320 0.022 0.000 0.218 360 A C 1.103 178.340 177.584 -0.578 0.000 1.181 360 A CA 2.335 54.089 52.037 -0.472 0.000 0.627 360 A CB -0.427 18.110 19.000 -0.771 0.000 0.818 360 A HN 1.303 nan 8.150 nan 0.000 0.445 361 H N -2.135 116.980 119.070 0.076 0.000 2.895 361 H HA 0.598 5.167 4.556 0.021 0.000 0.373 361 H C -0.369 174.998 175.328 0.066 0.000 1.174 361 H CA 0.078 56.161 56.048 0.059 0.000 1.144 361 H CB 1.396 31.190 29.762 0.053 0.000 1.793 361 H HN 0.361 nan 8.280 nan 0.000 0.551 362 T N -0.730 113.911 114.554 0.146 0.000 2.637 362 T HA 0.405 4.769 4.350 0.022 0.000 0.303 362 T C -0.754 173.931 174.700 -0.024 0.000 1.288 362 T CA -1.093 61.036 62.100 0.048 0.000 1.040 362 T CB 1.653 70.534 68.868 0.021 0.000 1.644 362 T HN 0.742 nan 8.240 nan 0.000 0.480 363 N N -1.258 117.347 118.700 -0.159 0.000 2.647 363 N HA 0.471 5.224 4.740 0.022 0.000 0.266 363 N C -0.381 175.037 175.510 -0.155 0.000 1.373 363 N CA -0.833 52.105 53.050 -0.186 0.000 0.807 363 N CB 0.466 38.731 38.487 -0.369 0.000 1.513 363 N HN 0.422 nan 8.380 nan 0.000 0.505 364 D N -0.363 120.024 120.400 -0.023 0.000 2.178 364 D HA -0.084 4.569 4.640 0.022 0.000 0.201 364 D C 1.590 177.834 176.300 -0.095 0.000 0.980 364 D CA 0.939 55.027 54.000 0.147 0.000 0.842 364 D CB -0.090 40.882 40.800 0.285 0.000 0.948 364 D HN 0.364 nan 8.370 nan 0.000 0.472 365 V N 0.830 120.536 119.914 -0.347 0.000 2.307 365 V HA -0.214 3.920 4.120 0.022 0.000 0.245 365 V C 2.437 178.172 176.094 -0.598 0.000 1.045 365 V CA 1.545 63.531 62.300 -0.522 0.000 1.024 365 V CB -0.417 30.888 31.823 -0.863 0.000 0.651 365 V HN 0.160 nan 8.190 nan 0.000 0.449 366 K N -0.209 119.748 120.400 -0.738 0.000 2.025 366 K HA -0.230 4.103 4.320 0.022 0.000 0.207 366 K C 2.333 178.745 176.600 -0.312 0.000 1.049 366 K CA 1.757 57.770 56.287 -0.457 0.000 0.933 366 K CB -0.168 32.098 32.500 -0.390 0.000 0.714 366 K HN 0.452 nan 8.250 nan 0.000 0.438 367 Q N 0.441 120.071 119.800 -0.284 0.000 2.030 367 Q HA -0.182 4.172 4.340 0.022 0.000 0.204 367 Q C 2.171 177.730 176.000 -0.735 0.000 0.986 367 Q CA 1.540 57.172 55.803 -0.286 0.000 0.843 367 Q CB -0.161 28.576 28.738 -0.003 0.000 0.904 367 Q HN 0.368 nan 8.270 nan 0.000 0.420 368 L N 0.556 121.235 121.223 -0.906 0.000 2.042 368 L HA -0.201 4.153 4.340 0.022 0.000 0.210 368 L C 1.931 178.313 176.870 -0.814 0.000 1.076 368 L CA 2.140 56.251 54.840 -1.215 0.000 0.749 368 L CB -1.166 40.397 42.059 -0.828 0.000 0.893 368 L HN 0.301 nan 8.230 nan 0.000 0.432 369 T N 0.012 114.257 114.554 -0.515 0.000 2.833 369 T HA -0.183 4.180 4.350 0.022 0.000 0.269 369 T C 1.683 176.140 174.700 -0.405 0.000 1.054 369 T CA 1.534 63.420 62.100 -0.358 0.000 1.135 369 T CB -0.096 68.738 68.868 -0.058 0.000 0.869 369 T HN 0.447 nan 8.240 nan 0.000 0.466 370 E N 0.563 120.511 120.200 -0.421 0.000 2.274 370 E HA 0.055 4.418 4.350 0.022 0.000 0.194 370 E C 2.350 178.586 176.600 -0.607 0.000 0.996 370 E CA 0.653 56.848 56.400 -0.341 0.000 0.840 370 E CB -0.077 29.544 29.700 -0.132 0.000 0.772 370 E HN 0.468 nan 8.360 nan 0.000 0.491 371 A N 0.500 122.699 122.820 -1.034 0.000 1.930 371 A HA -0.085 4.248 4.320 0.022 0.000 0.215 371 A C 2.386 179.571 177.584 -0.666 0.000 1.176 371 A CA 0.667 51.978 52.037 -1.211 0.000 0.632 371 A CB -0.369 17.860 19.000 -1.285 0.000 0.819 371 A HN 0.106 nan 8.150 nan 0.000 0.445 372 V N 0.038 119.554 119.914 -0.663 0.000 2.332 372 V HA -0.289 3.844 4.120 0.022 0.000 0.248 372 V C 2.772 178.596 176.094 -0.451 0.000 1.055 372 V CA 2.122 63.992 62.300 -0.717 0.000 1.038 372 V CB -0.758 30.446 31.823 -1.031 0.000 0.651 372 V HN 0.525 nan 8.190 nan 0.000 0.450 373 Q N 0.245 119.836 119.800 -0.349 0.000 2.030 373 Q HA -0.255 4.098 4.340 0.022 0.000 0.204 373 Q C 2.366 178.307 176.000 -0.099 0.000 0.986 373 Q CA 2.323 58.018 55.803 -0.180 0.000 0.843 373 Q CB -0.436 28.235 28.738 -0.111 0.000 0.904 373 Q HN 0.721 nan 8.270 nan 0.000 0.420 374 K N 0.363 120.712 120.400 -0.086 0.000 2.020 374 K HA -0.166 4.168 4.320 0.022 0.000 0.212 374 K C 2.168 178.739 176.600 -0.048 0.000 1.050 374 K CA 1.557 57.842 56.287 -0.003 0.000 0.929 374 K CB -0.341 32.236 32.500 0.129 0.000 0.714 374 K HN 0.156 nan 8.250 nan 0.000 0.443 375 I N 1.089 121.577 120.570 -0.136 0.000 2.208 375 I HA -0.284 3.899 4.170 0.022 0.000 0.245 375 I C 2.254 178.396 176.117 0.042 0.000 1.097 375 I CA 1.711 62.932 61.300 -0.133 0.000 1.363 375 I CB -0.573 37.336 38.000 -0.153 0.000 1.051 375 I HN 0.354 nan 8.210 nan 0.000 0.413 376 T N 0.021 114.635 114.554 0.101 0.000 2.708 376 T HA -0.168 4.195 4.350 0.022 0.000 0.266 376 T C 1.902 176.636 174.700 0.057 0.000 1.037 376 T CA 2.058 64.232 62.100 0.124 0.000 1.146 376 T CB -0.377 68.519 68.868 0.048 0.000 0.865 376 T HN 0.379 nan 8.240 nan 0.000 0.435 377 T N 2.381 116.947 114.554 0.021 0.000 2.684 377 T HA -0.153 4.211 4.350 0.022 0.000 0.267 377 T C 2.053 176.751 174.700 -0.002 0.000 1.036 377 T CA 1.710 63.818 62.100 0.013 0.000 1.148 377 T CB -0.361 68.514 68.868 0.012 0.000 0.863 377 T HN 0.767 nan 8.240 nan 0.000 0.436 378 E N 0.930 121.122 120.200 -0.013 0.000 2.208 378 E HA -0.043 4.321 4.350 0.022 0.000 0.193 378 E C 2.210 178.736 176.600 -0.124 0.000 0.988 378 E CA 1.140 57.500 56.400 -0.068 0.000 0.828 378 E CB -0.271 29.396 29.700 -0.054 0.000 0.763 378 E HN 0.257 nan 8.360 nan 0.000 0.478 379 S N 1.069 116.784 115.700 0.025 0.000 2.355 379 S HA -0.060 4.423 4.470 0.022 0.000 0.222 379 S C 1.941 176.596 174.600 0.092 0.000 1.031 379 S CA 1.116 59.441 58.200 0.208 0.000 0.993 379 S CB -0.242 63.125 63.200 0.278 0.000 0.859 379 S HN 0.263 nan 8.310 nan 0.000 0.453 380 I N 1.147 121.746 120.570 0.049 0.000 2.335 380 I HA -0.143 4.040 4.170 0.022 0.000 0.251 380 I C 2.065 178.158 176.117 -0.039 0.000 1.129 380 I CA 0.759 62.075 61.300 0.026 0.000 1.402 380 I CB -0.356 37.662 38.000 0.031 0.000 1.069 380 I HN 0.141 nan 8.210 nan 0.000 0.424 381 V N 0.835 120.695 119.914 -0.091 0.000 2.379 381 V HA -0.214 3.920 4.120 0.022 0.000 0.245 381 V C 2.150 178.098 176.094 -0.244 0.000 1.044 381 V CA 1.778 64.001 62.300 -0.128 0.000 1.036 381 V CB -0.204 31.552 31.823 -0.112 0.000 0.664 381 V HN 0.336 nan 8.190 nan 0.000 0.453 382 I N -1.915 118.365 120.570 -0.483 0.000 2.703 382 I HA -0.079 4.105 4.170 0.022 0.000 0.259 382 I C 1.868 177.446 176.117 -0.899 0.000 1.151 382 I CA 1.064 61.852 61.300 -0.854 0.000 1.470 382 I CB -0.073 36.964 38.000 -1.605 0.000 1.112 382 I HN 0.397 nan 8.210 nan 0.000 0.437 383 W N 0.068 121.217 121.300 -0.252 0.000 2.725 383 W HA 0.384 5.057 4.660 0.022 0.000 0.336 383 W C 1.471 177.877 176.519 -0.189 0.000 1.012 383 W CA 0.562 57.673 57.345 -0.391 0.000 1.566 383 W CB -0.040 29.025 29.460 -0.658 0.000 1.068 383 W HN 0.268 nan 8.180 nan 0.000 0.546 384 G N 2.312 111.141 108.800 0.049 0.000 2.159 384 G HA2 -0.305 3.668 3.960 0.022 0.000 0.256 384 G HA3 -0.305 3.668 3.960 0.022 0.000 0.256 384 G C 0.201 175.152 174.900 0.084 0.000 0.977 384 G CA 0.999 46.136 45.100 0.061 0.000 0.652 384 G HN 0.351 nan 8.290 nan 0.000 0.531 385 K N -0.986 119.479 120.400 0.107 0.000 2.533 385 K HA 0.714 5.048 4.320 0.022 0.000 0.272 385 K C -0.301 176.345 176.600 0.077 0.000 0.985 385 K CA -0.348 55.990 56.287 0.085 0.000 0.876 385 K CB 1.119 33.666 32.500 0.079 0.000 1.452 385 K HN 0.457 nan 8.250 nan 0.000 0.439 386 T N -0.457 114.128 114.554 0.051 0.000 2.882 386 T HA 0.487 4.851 4.350 0.022 0.000 0.287 386 T C -2.130 172.538 174.700 -0.053 0.000 0.992 386 T CA -1.501 60.622 62.100 0.039 0.000 1.076 386 T CB 0.994 69.913 68.868 0.085 0.000 0.961 386 T HN 0.512 nan 8.240 nan 0.000 0.490 387 P HA 0.361 nan 4.420 nan 0.000 0.284 387 P C -0.854 176.207 177.300 -0.397 0.000 1.258 387 P CA -0.873 61.993 63.100 -0.389 0.000 0.824 387 P CB 1.012 32.339 31.700 -0.623 0.000 1.038 388 K N 1.768 121.986 120.400 -0.303 0.000 2.350 388 K HA 0.311 4.644 4.320 0.022 0.000 0.279 388 K C -0.224 176.217 176.600 -0.265 0.000 1.027 388 K CA 0.022 56.215 56.287 -0.156 0.000 0.969 388 K CB 0.115 32.545 32.500 -0.118 0.000 0.954 388 K HN 0.330 nan 8.250 nan 0.000 0.474 389 F N 1.709 121.607 119.950 -0.087 0.000 2.422 389 F HA 0.297 4.835 4.527 0.019 0.000 0.333 389 F C 0.561 176.363 175.800 0.002 0.000 1.095 389 F CA -0.570 57.379 58.000 -0.086 0.000 1.038 389 F CB 1.332 40.246 39.000 -0.142 0.000 1.156 389 F HN 0.160 nan 8.300 nan 0.000 0.483 390 K N 4.578 125.056 120.400 0.130 0.000 2.464 390 K HA 0.520 4.853 4.320 0.022 0.000 0.252 390 K C -1.294 175.380 176.600 0.123 0.000 1.000 390 K CA -0.324 56.029 56.287 0.111 0.000 0.951 390 K CB 1.060 33.573 32.500 0.022 0.000 1.183 390 K HN 0.512 nan 8.250 nan 0.000 0.445 391 L N 4.389 125.725 121.223 0.188 0.000 2.334 391 L HA 0.443 4.797 4.340 0.022 0.000 0.276 391 L C -1.762 175.207 176.870 0.165 0.000 1.014 391 L CA -2.115 52.774 54.840 0.082 0.000 0.815 391 L CB 1.710 43.635 42.059 -0.223 0.000 1.268 391 L HN 0.396 nan 8.230 nan 0.000 0.428 392 P HA 0.155 nan 4.420 nan 0.000 0.235 392 P C -0.484 177.026 177.300 0.349 0.000 1.725 392 P CA 0.489 63.718 63.100 0.214 0.000 0.894 392 P CB 0.251 32.053 31.700 0.169 0.000 1.704 393 I N -0.655 120.186 120.570 0.451 0.000 2.802 393 I HA 0.272 4.456 4.170 0.022 0.000 0.298 393 I C -0.854 175.504 176.117 0.401 0.000 1.176 393 I CA -1.129 60.357 61.300 0.311 0.000 1.025 393 I CB 2.950 40.984 38.000 0.057 0.000 1.243 393 I HN -0.178 nan 8.210 nan 0.000 0.424 394 Q N 5.408 125.218 119.800 0.017 0.000 2.259 394 Q HA 0.305 4.658 4.340 0.022 0.000 0.249 394 Q C 0.347 176.482 176.000 0.225 0.000 0.914 394 Q CA -0.667 55.030 55.803 -0.177 0.000 0.904 394 Q CB 1.816 30.299 28.738 -0.426 0.000 1.213 394 Q HN 0.533 nan 8.270 nan 0.000 0.428 395 K N 1.448 121.983 120.400 0.224 0.000 2.152 395 K HA -0.246 4.087 4.320 0.022 0.000 0.206 395 K C 1.675 178.452 176.600 0.295 0.000 1.048 395 K CA 1.343 57.815 56.287 0.309 0.000 0.933 395 K CB 0.136 32.645 32.500 0.014 0.000 0.721 395 K HN 0.651 nan 8.250 nan 0.000 0.447 396 E N 0.713 121.006 120.200 0.154 0.000 2.051 396 E HA -0.163 4.200 4.350 0.022 0.000 0.192 396 E C 1.626 178.334 176.600 0.180 0.000 0.991 396 E CA 1.509 57.995 56.400 0.143 0.000 0.799 396 E CB 0.094 29.825 29.700 0.053 0.000 0.748 396 E HN 0.175 nan 8.360 nan 0.000 0.449 397 T N 0.135 114.777 114.554 0.148 0.000 2.746 397 T HA -0.185 4.178 4.350 0.022 0.000 0.267 397 T C 1.064 175.897 174.700 0.222 0.000 1.039 397 T CA 1.394 63.575 62.100 0.135 0.000 1.142 397 T CB -0.465 68.445 68.868 0.070 0.000 0.866 397 T HN 0.400 nan 8.240 nan 0.000 0.444 398 W N 1.957 123.340 121.300 0.139 0.000 2.354 398 W HA -0.063 4.608 4.660 0.018 0.000 0.315 398 W C 2.269 178.976 176.519 0.313 0.000 1.206 398 W CA 1.096 58.540 57.345 0.164 0.000 1.290 398 W CB -0.245 29.294 29.460 0.132 0.000 1.152 398 W HN 0.292 nan 8.180 nan 0.000 0.489 399 E N -1.091 119.443 120.200 0.556 0.000 2.160 399 E HA -0.214 4.150 4.350 0.022 0.000 0.195 399 E C 2.019 178.835 176.600 0.359 0.000 0.991 399 E CA 1.788 58.577 56.400 0.649 0.000 0.810 399 E CB -0.308 29.788 29.700 0.659 0.000 0.742 399 E HN 0.206 nan 8.360 nan 0.000 0.466 400 T N 0.503 115.194 114.554 0.228 0.000 2.674 400 T HA -0.181 4.182 4.350 0.022 0.000 0.265 400 T C 1.218 175.977 174.700 0.098 0.000 1.039 400 T CA 1.091 63.266 62.100 0.125 0.000 1.150 400 T CB -0.291 68.641 68.868 0.108 0.000 0.864 400 T HN 0.461 nan 8.240 nan 0.000 0.427 401 W N 0.312 121.546 121.300 -0.111 0.000 2.388 401 W HA -0.112 4.565 4.660 0.028 0.000 0.294 401 W C 1.964 178.374 176.519 -0.182 0.000 1.212 401 W CA 0.618 57.840 57.345 -0.205 0.000 1.271 401 W CB -0.529 28.731 29.460 -0.333 0.000 1.126 401 W HN 0.342 nan 8.180 nan 0.000 0.535 402 W N 2.765 123.836 121.300 -0.382 0.000 2.194 402 W HA -0.384 4.288 4.660 0.021 0.000 0.325 402 W C 2.903 179.221 176.519 -0.335 0.000 1.247 402 W CA 4.055 61.122 57.345 -0.462 0.000 1.129 402 W CB -1.207 28.072 29.460 -0.301 0.000 1.146 402 W HN -0.007 nan 8.180 nan 0.000 0.471 403 T N -0.662 113.649 114.554 -0.405 0.000 2.680 403 T HA -0.343 4.021 4.350 0.022 0.000 0.268 403 T C 1.636 176.141 174.700 -0.326 0.000 1.033 403 T CA 2.283 64.065 62.100 -0.531 0.000 1.152 403 T CB -0.873 67.699 68.868 -0.493 0.000 0.859 403 T HN 0.529 nan 8.240 nan 0.000 0.452 404 E N 0.078 120.104 120.200 -0.290 0.000 2.023 404 E HA -0.089 4.275 4.350 0.022 0.000 0.196 404 E C 0.347 176.763 176.600 -0.305 0.000 1.003 404 E CA 0.765 57.005 56.400 -0.267 0.000 0.809 404 E CB -0.293 29.238 29.700 -0.281 0.000 0.755 404 E HN 0.552 nan 8.360 nan 0.000 0.449 405 Y N 2.069 121.898 120.300 -0.786 0.000 2.721 405 Y HA -0.176 4.389 4.550 0.025 0.000 0.329 405 Y C 0.945 176.501 175.900 -0.575 0.000 1.211 405 Y CA -0.746 56.802 58.100 -0.921 0.000 1.512 405 Y CB 0.118 37.758 38.460 -1.366 0.000 1.249 405 Y HN 0.232 nan 8.280 nan 0.000 0.549 406 W N 3.412 124.401 121.300 -0.518 0.000 2.538 406 W HA -0.067 4.607 4.660 0.024 0.000 0.254 406 W C -0.214 176.054 176.519 -0.418 0.000 1.249 406 W CA 0.218 57.316 57.345 -0.411 0.000 1.253 406 W CB -0.422 28.818 29.460 -0.365 0.000 1.130 406 W HN 0.521 nan 8.180 nan 0.000 0.618 407 Q N 1.415 120.543 119.800 -1.120 0.000 2.256 407 Q HA 0.551 4.905 4.340 0.022 0.000 0.257 407 Q C -0.272 175.557 176.000 -0.284 0.000 0.936 407 Q CA -0.429 54.945 55.803 -0.715 0.000 0.903 407 Q CB 1.854 29.757 28.738 -1.392 0.000 1.263 407 Q HN 0.042 nan 8.270 nan 0.000 0.440 408 A N 2.769 125.548 122.820 -0.069 0.000 2.407 408 A HA 0.558 4.891 4.320 0.022 0.000 0.248 408 A C -0.185 177.459 177.584 0.100 0.000 1.082 408 A CA 0.187 52.256 52.037 0.054 0.000 0.785 408 A CB 1.093 20.137 19.000 0.074 0.000 1.020 408 A HN 0.704 nan 8.150 nan 0.000 0.489 409 T N 1.562 116.232 114.554 0.194 0.000 2.886 409 T HA 0.510 4.874 4.350 0.022 0.000 0.330 409 T C -1.952 173.014 174.700 0.444 0.000 1.488 409 T CA -0.393 61.859 62.100 0.253 0.000 1.054 409 T CB 0.836 69.837 68.868 0.221 0.000 1.348 409 T HN 0.905 nan 8.240 nan 0.000 0.489 410 W N 5.833 127.203 121.300 0.116 0.000 3.138 410 W HA 0.625 5.301 4.660 0.025 0.000 0.331 410 W C -2.135 174.342 176.519 -0.071 0.000 1.166 410 W CA -1.066 56.313 57.345 0.057 0.000 1.212 410 W CB 1.516 30.981 29.460 0.009 0.000 1.399 410 W HN 0.482 nan 8.180 nan 0.000 0.514 411 I N 7.038 126.960 120.570 -1.080 0.000 2.447 411 I HA 0.259 4.443 4.170 0.022 0.000 0.287 411 I C -1.633 173.621 176.117 -1.438 0.000 1.023 411 I CA -2.809 57.774 61.300 -1.196 0.000 1.083 411 I CB 1.349 38.546 38.000 -1.338 0.000 1.245 411 I HN 0.187 nan 8.210 nan 0.000 0.434 412 P HA -0.001 nan 4.420 nan 0.000 0.271 412 P C 0.049 177.204 177.300 -0.242 0.000 1.238 412 P CA -0.331 62.480 63.100 -0.482 0.000 0.794 412 P CB 0.736 32.337 31.700 -0.164 0.000 0.959 413 E N 1.423 121.561 120.200 -0.103 0.000 3.131 413 E HA -0.098 4.265 4.350 0.022 0.000 0.258 413 E C -0.731 175.916 176.600 0.077 0.000 0.901 413 E CA 0.397 56.761 56.400 -0.060 0.000 0.964 413 E CB -0.024 29.658 29.700 -0.030 0.000 0.903 413 E HN 0.400 nan 8.360 nan 0.000 0.537 414 W N 3.422 124.608 121.300 -0.190 0.000 3.213 414 W HA 0.431 5.100 4.660 0.016 0.000 0.318 414 W C -1.619 174.834 176.519 -0.111 0.000 1.248 414 W CA -0.963 56.300 57.345 -0.136 0.000 1.187 414 W CB 0.220 29.545 29.460 -0.225 0.000 1.403 414 W HN 0.559 nan 8.180 nan 0.000 0.556 415 E N 1.789 122.040 120.200 0.085 0.000 2.238 415 E HA 0.515 4.879 4.350 0.022 0.000 0.267 415 E C -1.420 175.316 176.600 0.227 0.000 0.887 415 E CA -0.865 55.486 56.400 -0.081 0.000 0.769 415 E CB 2.710 32.378 29.700 -0.053 0.000 1.187 415 E HN 0.229 nan 8.360 nan 0.000 0.416 416 F N 3.080 123.040 119.950 0.016 0.000 2.563 416 F HA 0.299 4.829 4.527 0.004 0.000 0.363 416 F C -0.994 174.883 175.800 0.127 0.000 1.123 416 F CA -0.184 57.944 58.000 0.214 0.000 1.307 416 F CB 0.847 39.921 39.000 0.122 0.000 1.115 416 F HN 0.280 nan 8.300 nan 0.000 0.592 417 V N 5.688 125.133 119.914 -0.782 0.000 2.482 417 V HA 0.154 4.287 4.120 0.022 0.000 0.295 417 V C -0.444 175.022 176.094 -1.047 0.000 1.026 417 V CA -1.089 60.784 62.300 -0.712 0.000 0.856 417 V CB 1.426 33.105 31.823 -0.240 0.000 1.001 417 V HN 0.735 nan 8.190 nan 0.000 0.424 418 N N 3.053 121.198 118.700 -0.925 0.000 2.819 418 N HA 0.158 4.912 4.740 0.022 0.000 0.284 418 N C -0.359 175.055 175.510 -0.160 0.000 1.196 418 N CA 0.265 53.045 53.050 -0.449 0.000 1.114 418 N CB 0.170 38.572 38.487 -0.141 0.000 1.437 418 N HN 0.726 nan 8.380 nan 0.000 0.518 419 T N 3.271 117.760 114.554 -0.108 0.000 2.963 419 T HA 0.317 4.680 4.350 0.022 0.000 0.328 419 T C -2.547 172.165 174.700 0.021 0.000 1.048 419 T CA -1.147 60.935 62.100 -0.031 0.000 1.033 419 T CB 1.402 70.249 68.868 -0.034 0.000 1.010 419 T HN 0.232 nan 8.240 nan 0.000 0.469 420 P HA 0.144 nan 4.420 nan 0.000 0.267 420 P C -2.358 174.959 177.300 0.028 0.000 1.201 420 P CA -0.916 62.210 63.100 0.043 0.000 0.775 420 P CB -0.099 31.622 31.700 0.034 0.000 0.854 421 P HA 0.186 nan 4.420 nan 0.000 0.287 421 P C -0.647 176.697 177.300 0.073 0.000 1.294 421 P CA -0.058 63.067 63.100 0.042 0.000 0.776 421 P CB 0.646 32.366 31.700 0.034 0.000 0.889 422 L N 3.299 124.576 121.223 0.091 0.000 2.453 422 L HA 0.175 4.528 4.340 0.022 0.000 0.272 422 L C 1.172 178.102 176.870 0.101 0.000 1.182 422 L CA -0.649 54.278 54.840 0.144 0.000 0.858 422 L CB 0.821 42.990 42.059 0.182 0.000 1.120 422 L HN 0.232 nan 8.230 nan 0.000 0.474 423 V N 4.644 124.643 119.914 0.141 0.000 2.488 423 V HA 0.303 4.436 4.120 0.022 0.000 0.277 423 V C 0.044 176.159 176.094 0.034 0.000 1.046 423 V CA -0.100 62.276 62.300 0.128 0.000 0.986 423 V CB 0.897 32.840 31.823 0.200 0.000 0.989 423 V HN 0.949 nan 8.190 nan 0.000 0.475 424 K N 5.595 125.976 120.400 -0.032 0.000 2.283 424 K HA 0.712 5.045 4.320 0.022 0.000 0.257 424 K C -1.564 174.965 176.600 -0.118 0.000 1.066 424 K CA -1.098 55.106 56.287 -0.138 0.000 0.891 424 K CB 1.759 34.077 32.500 -0.303 0.000 1.438 424 K HN 0.503 nan 8.250 nan 0.000 0.464 425 L N 2.105 123.244 121.223 -0.138 0.000 2.295 425 L HA 0.331 4.685 4.340 0.022 0.000 0.281 425 L C -0.269 176.567 176.870 -0.056 0.000 1.018 425 L CA -0.718 54.087 54.840 -0.059 0.000 0.841 425 L CB 0.605 42.626 42.059 -0.064 0.000 1.218 425 L HN 0.708 nan 8.230 nan 0.000 0.424 426 W N 2.888 124.163 121.300 -0.041 0.000 2.421 426 W HA -0.092 4.582 4.660 0.023 0.000 0.270 426 W C 0.407 177.036 176.519 0.183 0.000 1.233 426 W CA 0.237 57.631 57.345 0.083 0.000 1.226 426 W CB -0.431 29.123 29.460 0.156 0.000 1.121 426 W HN 0.482 nan 8.180 nan 0.000 0.579 427 Y N -1.437 118.992 120.300 0.214 0.000 2.677 427 Y HA 0.520 5.082 4.550 0.020 0.000 0.334 427 Y C -1.056 174.913 175.900 0.115 0.000 1.196 427 Y CA -2.466 55.717 58.100 0.137 0.000 1.059 427 Y CB 0.374 38.910 38.460 0.127 0.000 1.315 427 Y HN 0.025 nan 8.280 nan 0.000 0.455 428 Q N 2.251 122.163 119.800 0.186 0.000 2.309 428 Q HA 0.653 5.007 4.340 0.022 0.000 0.273 428 Q C -2.062 174.053 176.000 0.191 0.000 1.040 428 Q CA -1.053 54.811 55.803 0.101 0.000 0.834 428 Q CB 2.834 31.607 28.738 0.058 0.000 1.345 428 Q HN 0.817 nan 8.270 nan 0.000 0.414 429 L N 2.303 123.630 121.223 0.174 0.000 2.367 429 L HA 0.261 4.614 4.340 0.022 0.000 0.275 429 L C 0.420 177.386 176.870 0.159 0.000 1.129 429 L CA -0.749 54.191 54.840 0.165 0.000 0.839 429 L CB 0.417 42.551 42.059 0.124 0.000 1.133 429 L HN 0.580 nan 8.230 nan 0.000 0.453 430 E N 2.990 123.308 120.200 0.195 0.000 2.442 430 E HA -0.039 4.325 4.350 0.022 0.000 0.262 430 E C 0.418 177.194 176.600 0.293 0.000 1.004 430 E CA 0.237 56.757 56.400 0.199 0.000 0.928 430 E CB 0.747 30.559 29.700 0.187 0.000 0.937 430 E HN 0.439 nan 8.360 nan 0.000 0.446 431 K N 1.240 121.752 120.400 0.187 0.000 2.418 431 K HA -0.031 4.303 4.320 0.022 0.000 0.195 431 K C 0.320 177.049 176.600 0.214 0.000 1.035 431 K CA 0.459 56.872 56.287 0.209 0.000 1.003 431 K CB 0.336 32.895 32.500 0.099 0.000 0.793 431 K HN 0.291 nan 8.250 nan 0.000 0.494 432 E N 0.326 120.517 120.200 -0.015 0.000 2.317 432 E HA 0.221 4.584 4.350 0.022 0.000 0.270 432 E C -2.733 173.341 176.600 -0.876 0.000 0.885 432 E CA -2.785 53.388 56.400 -0.380 0.000 0.760 432 E CB 1.667 31.259 29.700 -0.180 0.000 1.227 432 E HN -0.227 nan 8.360 nan 0.000 0.434 433 P HA 0.035 nan 4.420 nan 0.000 0.267 433 P C -0.416 176.670 177.300 -0.356 0.000 1.201 433 P CA 0.351 62.873 63.100 -0.963 0.000 0.775 433 P CB 0.510 31.889 31.700 -0.535 0.000 0.854 434 I N 1.357 121.836 120.570 -0.151 0.000 2.315 434 I HA 0.167 4.350 4.170 0.022 0.000 0.291 434 I C 0.404 176.503 176.117 -0.030 0.000 1.006 434 I CA -1.205 60.061 61.300 -0.057 0.000 1.265 434 I CB 1.275 39.279 38.000 0.007 0.000 1.387 434 I HN 0.018 nan 8.210 nan 0.000 0.475 435 V N 6.137 126.033 119.914 -0.030 0.000 2.521 435 V HA 0.316 4.449 4.120 0.022 0.000 0.286 435 V C 1.283 177.380 176.094 0.005 0.000 1.034 435 V CA 0.834 63.126 62.300 -0.013 0.000 1.045 435 V CB 0.176 31.990 31.823 -0.016 0.000 0.974 435 V HN 1.185 nan 8.190 nan 0.000 0.480 436 G N 3.676 112.485 108.800 0.014 0.000 2.217 436 G HA2 -0.131 3.843 3.960 0.022 0.000 0.246 436 G HA3 -0.131 3.843 3.960 0.022 0.000 0.246 436 G C 0.428 175.350 174.900 0.036 0.000 0.990 436 G CA 0.102 45.215 45.100 0.022 0.000 0.627 436 G HN 1.525 nan 8.290 nan 0.000 0.522 437 A N 0.616 123.462 122.820 0.043 0.000 2.362 437 A HA 0.632 4.966 4.320 0.022 0.000 0.276 437 A C 0.533 178.173 177.584 0.095 0.000 1.153 437 A CA 0.663 52.741 52.037 0.068 0.000 0.813 437 A CB 0.377 19.417 19.000 0.067 0.000 1.081 437 A HN 0.692 nan 8.150 nan 0.000 0.507 438 E N 1.398 121.672 120.200 0.123 0.000 2.458 438 E HA 0.102 4.465 4.350 0.022 0.000 0.264 438 E C -0.590 176.121 176.600 0.186 0.000 1.097 438 E CA 0.590 57.064 56.400 0.123 0.000 0.973 438 E CB 0.384 30.165 29.700 0.135 0.000 0.963 438 E HN 0.561 nan 8.360 nan 0.000 0.451 439 T N 4.031 118.645 114.554 0.099 0.000 2.786 439 T HA 0.364 4.727 4.350 0.022 0.000 0.283 439 T C -1.107 173.630 174.700 0.062 0.000 0.992 439 T CA -0.458 61.717 62.100 0.125 0.000 0.954 439 T CB 0.134 69.069 68.868 0.111 0.000 0.934 439 T HN 0.222 nan 8.240 nan 0.000 0.440 440 F N 2.886 122.772 119.950 -0.107 0.000 2.385 440 F HA 0.457 4.998 4.527 0.024 0.000 0.360 440 F C -0.225 175.483 175.800 -0.153 0.000 1.122 440 F CA -1.369 56.592 58.000 -0.066 0.000 1.090 440 F CB 0.623 39.503 39.000 -0.199 0.000 1.150 440 F HN 0.497 nan 8.300 nan 0.000 0.472 441 Y N 2.545 122.955 120.300 0.182 0.000 2.341 441 Y HA 0.557 5.120 4.550 0.023 0.000 0.340 441 Y C -0.082 175.925 175.900 0.179 0.000 0.997 441 Y CA -0.846 57.334 58.100 0.132 0.000 1.149 441 Y CB 1.214 39.718 38.460 0.073 0.000 1.171 441 Y HN 0.228 nan 8.280 nan 0.000 0.494 442 V N 4.349 124.396 119.914 0.221 0.000 2.555 442 V HA 0.526 4.659 4.120 0.022 0.000 0.302 442 V C -0.703 175.485 176.094 0.157 0.000 1.038 442 V CA -0.685 61.742 62.300 0.211 0.000 0.887 442 V CB 1.922 33.839 31.823 0.157 0.000 0.991 442 V HN 0.762 nan 8.190 nan 0.000 0.434 456 G N -0.071 108.784 108.800 0.090 0.000 2.731 456 G HA2 0.850 4.823 3.960 0.022 0.000 0.309 456 G HA3 0.850 4.823 3.960 0.022 0.000 0.309 456 G C -1.160 173.852 174.900 0.188 0.000 1.273 456 G CA 0.143 45.290 45.100 0.078 0.000 0.798 456 G HN 1.784 nan 8.290 nan 0.000 0.509 457 Y N -2.288 118.067 120.300 0.092 0.000 2.656 457 Y HA 0.775 5.339 4.550 0.023 0.000 0.334 457 Y C -1.419 174.537 175.900 0.093 0.000 1.179 457 Y CA -1.677 56.499 58.100 0.126 0.000 1.050 457 Y CB 1.419 40.001 38.460 0.203 0.000 1.308 457 Y HN 0.622 nan 8.280 nan 0.000 0.456 458 V N 1.965 122.107 119.914 0.379 0.000 2.623 458 V HA 0.655 4.789 4.120 0.022 0.000 0.304 458 V C -0.199 176.025 176.094 0.217 0.000 1.054 458 V CA -0.161 62.256 62.300 0.195 0.000 0.882 458 V CB 1.498 33.374 31.823 0.088 0.000 1.002 458 V HN 1.129 nan 8.190 nan 0.000 0.424 459 T N -0.020 114.553 114.554 0.031 0.000 2.944 459 T HA 0.286 4.649 4.350 0.022 0.000 0.284 459 T C 1.063 175.739 174.700 -0.039 0.000 1.010 459 T CA -0.280 61.726 62.100 -0.157 0.000 1.025 459 T CB 1.422 69.936 68.868 -0.588 0.000 1.079 459 T HN 0.706 nan 8.240 nan 0.000 0.516 460 N N 1.018 119.719 118.700 0.002 0.000 2.512 460 N HA -0.097 4.656 4.740 0.022 0.000 0.183 460 N C 1.072 176.568 175.510 -0.023 0.000 1.073 460 N CA 0.464 53.530 53.050 0.027 0.000 0.911 460 N CB -0.322 38.218 38.487 0.089 0.000 0.964 460 N HN 0.667 nan 8.380 nan 0.000 0.447 461 R N -0.429 120.033 120.500 -0.062 0.000 2.426 461 R HA 0.218 4.571 4.340 0.022 0.000 0.263 461 R C 0.734 177.006 176.300 -0.047 0.000 0.961 461 R CA 0.379 56.449 56.100 -0.049 0.000 1.086 461 R CB 0.112 30.380 30.300 -0.052 0.000 1.186 461 R HN 0.372 nan 8.270 nan 0.000 0.537 462 G N 1.465 110.235 108.800 -0.050 0.000 2.225 462 G HA2 -0.349 3.624 3.960 0.022 0.000 0.254 462 G HA3 -0.349 3.624 3.960 0.022 0.000 0.254 462 G C 0.231 175.103 174.900 -0.046 0.000 0.988 462 G CA -0.129 44.945 45.100 -0.043 0.000 0.625 462 G HN 0.315 nan 8.290 nan 0.000 0.527 463 R N 1.076 121.545 120.500 -0.051 0.000 2.594 463 R HA 0.531 4.884 4.340 0.022 0.000 0.272 463 R C 0.644 176.922 176.300 -0.037 0.000 1.074 463 R CA 0.756 56.841 56.100 -0.025 0.000 1.105 463 R CB 0.340 30.645 30.300 0.009 0.000 1.008 463 R HN 0.723 nan 8.270 nan 0.000 0.472 464 Q N 0.908 120.631 119.800 -0.128 0.000 2.578 464 Q HA 0.424 4.778 4.340 0.022 0.000 0.284 464 Q C -1.567 174.137 176.000 -0.493 0.000 0.960 464 Q CA -1.244 54.331 55.803 -0.381 0.000 0.809 464 Q CB 2.413 31.019 28.738 -0.219 0.000 1.462 464 Q HN 0.466 nan 8.270 nan 0.000 0.392 465 K N 1.245 121.196 120.400 -0.747 0.000 2.670 465 K HA 0.328 4.661 4.320 0.022 0.000 0.274 465 K C -2.069 174.340 176.600 -0.318 0.000 1.068 465 K CA -0.356 55.662 56.287 -0.449 0.000 0.967 465 K CB 2.041 34.318 32.500 -0.372 0.000 1.297 465 K HN 0.524 nan 8.250 nan 0.000 0.477 466 V N 4.931 124.748 119.914 -0.162 0.000 2.294 466 V HA 0.309 4.443 4.120 0.022 0.000 0.272 466 V C -0.177 175.897 176.094 -0.032 0.000 1.027 466 V CA -0.673 61.580 62.300 -0.079 0.000 0.823 466 V CB 1.206 32.993 31.823 -0.060 0.000 1.030 466 V HN 0.446 nan 8.190 nan 0.000 0.457 467 V N 3.898 123.812 119.914 0.001 0.000 2.630 467 V HA 0.655 4.788 4.120 0.022 0.000 0.305 467 V C 0.379 176.490 176.094 0.029 0.000 1.046 467 V CA -0.523 61.789 62.300 0.020 0.000 0.934 467 V CB 2.161 34.010 31.823 0.043 0.000 1.003 467 V HN 0.897 nan 8.190 nan 0.000 0.451 468 T N 2.260 116.829 114.554 0.024 0.000 2.833 468 T HA 0.676 5.039 4.350 0.022 0.000 0.297 468 T C -0.929 173.787 174.700 0.028 0.000 1.015 468 T CA -0.509 61.606 62.100 0.025 0.000 0.963 468 T CB 1.177 70.055 68.868 0.015 0.000 0.955 468 T HN 0.395 nan 8.240 nan 0.000 0.449 469 L N 3.871 125.114 121.223 0.034 0.000 2.343 469 L HA 0.709 5.063 4.340 0.022 0.000 0.275 469 L C 0.517 177.403 176.870 0.025 0.000 1.056 469 L CA -0.025 54.834 54.840 0.033 0.000 0.804 469 L CB 1.759 43.843 42.059 0.041 0.000 1.203 469 L HN 0.950 nan 8.230 nan 0.000 0.440 470 T N -0.086 114.481 114.554 0.022 0.000 2.856 470 T HA 0.369 4.733 4.350 0.022 0.000 0.292 470 T C -0.660 174.050 174.700 0.017 0.000 0.980 470 T CA -0.526 61.584 62.100 0.017 0.000 1.091 470 T CB 0.459 69.336 68.868 0.014 0.000 0.936 470 T HN 0.684 nan 8.240 nan 0.000 0.503 471 D N 0.452 120.861 120.400 0.015 0.000 3.729 471 D HA -0.136 4.518 4.640 0.022 0.000 0.242 471 D C -0.410 175.900 176.300 0.017 0.000 1.091 471 D CA 1.146 55.154 54.000 0.014 0.000 1.096 471 D CB -1.142 39.665 40.800 0.012 0.000 0.901 471 D HN 0.919 nan 8.370 nan 0.000 0.416 472 T N 0.293 114.858 114.554 0.018 0.000 3.435 472 T HA 0.297 4.660 4.350 0.022 0.000 0.344 472 T C -0.237 174.476 174.700 0.021 0.000 1.211 472 T CA -0.341 61.773 62.100 0.023 0.000 1.104 472 T CB 1.560 70.447 68.868 0.030 0.000 1.196 472 T HN 0.085 nan 8.240 nan 0.000 0.471 473 T N 4.524 119.089 114.554 0.020 0.000 2.856 473 T HA 0.156 4.519 4.350 0.022 0.000 0.306 473 T C 1.765 176.474 174.700 0.015 0.000 1.062 473 T CA -0.523 61.583 62.100 0.010 0.000 1.083 473 T CB 0.448 69.317 68.868 0.002 0.000 0.984 473 T HN 0.632 nan 8.240 nan 0.000 0.542 474 N N 1.377 120.078 118.700 0.001 0.000 2.043 474 N HA -0.126 4.627 4.740 0.022 0.000 0.193 474 N C 2.036 177.557 175.510 0.019 0.000 1.037 474 N CA 1.471 54.527 53.050 0.008 0.000 0.851 474 N CB -0.203 38.280 38.487 -0.006 0.000 1.027 474 N HN 0.591 nan 8.380 nan 0.000 0.422 475 Q N 0.608 120.388 119.800 -0.034 0.000 2.112 475 Q HA -0.162 4.191 4.340 0.022 0.000 0.206 475 Q C 2.001 178.087 176.000 0.142 0.000 0.987 475 Q CA 1.406 57.183 55.803 -0.043 0.000 0.858 475 Q CB -0.105 28.428 28.738 -0.342 0.000 0.905 475 Q HN 0.361 nan 8.270 nan 0.000 0.420 476 K N 0.240 120.698 120.400 0.096 0.000 2.217 476 K HA -0.112 4.222 4.320 0.022 0.000 0.202 476 K C 2.065 178.720 176.600 0.093 0.000 1.051 476 K CA 1.569 57.920 56.287 0.107 0.000 0.952 476 K CB 0.043 32.584 32.500 0.068 0.000 0.736 476 K HN 0.284 nan 8.250 nan 0.000 0.453 477 T N -1.601 113.002 114.554 0.081 0.000 2.867 477 T HA -0.084 4.280 4.350 0.022 0.000 0.268 477 T C 1.422 176.183 174.700 0.102 0.000 1.057 477 T CA 1.077 63.225 62.100 0.081 0.000 1.136 477 T CB -0.154 68.753 68.868 0.064 0.000 0.874 477 T HN 0.342 nan 8.240 nan 0.000 0.466 478 E N 1.366 121.638 120.200 0.121 0.000 2.007 478 E HA -0.054 4.309 4.350 0.022 0.000 0.194 478 E C 2.299 178.974 176.600 0.125 0.000 0.999 478 E CA 1.099 57.581 56.400 0.136 0.000 0.811 478 E CB -0.311 29.497 29.700 0.180 0.000 0.762 478 E HN 0.239 nan 8.360 nan 0.000 0.450 479 L N 1.432 122.730 121.223 0.124 0.000 2.051 479 L HA -0.287 4.066 4.340 0.022 0.000 0.214 479 L C 2.426 179.357 176.870 0.102 0.000 1.076 479 L CA 1.823 56.708 54.840 0.076 0.000 0.758 479 L CB -1.419 40.664 42.059 0.040 0.000 0.890 479 L HN 0.298 nan 8.230 nan 0.000 0.433 480 Q N -0.802 119.066 119.800 0.113 0.000 2.077 480 Q HA -0.215 4.138 4.340 0.022 0.000 0.206 480 Q C 2.378 178.498 176.000 0.199 0.000 0.989 480 Q CA 1.962 57.862 55.803 0.161 0.000 0.853 480 Q CB -0.199 28.615 28.738 0.127 0.000 0.907 480 Q HN 0.589 nan 8.270 nan 0.000 0.418 481 A N 0.966 123.881 122.820 0.158 0.000 1.858 481 A HA -0.196 4.138 4.320 0.022 0.000 0.216 481 A C 2.049 179.704 177.584 0.119 0.000 1.190 481 A CA 1.300 53.439 52.037 0.170 0.000 0.617 481 A CB -0.756 18.343 19.000 0.165 0.000 0.827 481 A HN 0.330 nan 8.150 nan 0.000 0.443 482 I N -1.858 118.762 120.570 0.083 0.000 2.208 482 I HA -0.290 3.893 4.170 0.022 0.000 0.245 482 I C 2.484 178.595 176.117 -0.010 0.000 1.097 482 I CA 1.842 63.147 61.300 0.007 0.000 1.363 482 I CB -0.419 37.588 38.000 0.011 0.000 1.051 482 I HN 0.551 nan 8.210 nan 0.000 0.413 483 Y N 1.579 121.840 120.300 -0.065 0.000 2.070 483 Y HA -0.269 4.293 4.550 0.021 0.000 0.280 483 Y C 2.386 178.237 175.900 -0.082 0.000 1.148 483 Y CA 1.480 59.534 58.100 -0.077 0.000 1.125 483 Y CB -0.667 37.769 38.460 -0.040 0.000 0.975 483 Y HN -0.009 nan 8.280 nan 0.000 0.492 484 L N -0.303 120.861 121.223 -0.097 0.000 1.991 484 L HA -0.394 3.960 4.340 0.022 0.000 0.221 484 L C 2.727 179.428 176.870 -0.281 0.000 1.079 484 L CA 1.828 56.596 54.840 -0.121 0.000 0.778 484 L CB -1.183 40.992 42.059 0.193 0.000 0.893 484 L HN 0.424 nan 8.230 nan 0.000 0.437 485 A N -0.212 122.374 122.820 -0.390 0.000 1.915 485 A HA -0.285 4.049 4.320 0.022 0.000 0.220 485 A C 2.168 179.232 177.584 -0.867 0.000 1.198 485 A CA 2.223 53.757 52.037 -0.838 0.000 0.647 485 A CB -0.979 17.626 19.000 -0.658 0.000 0.825 485 A HN 0.464 nan 8.150 nan 0.000 0.456 486 L N -1.146 119.738 121.223 -0.565 0.000 2.046 486 L HA -0.270 4.083 4.340 0.022 0.000 0.208 486 L C 2.958 179.583 176.870 -0.408 0.000 1.077 486 L CA 1.741 56.304 54.840 -0.461 0.000 0.747 486 L CB -0.574 41.303 42.059 -0.302 0.000 0.896 486 L HN 0.517 nan 8.230 nan 0.000 0.432 487 Q N -0.259 119.276 119.800 -0.442 0.000 2.084 487 Q HA -0.212 4.141 4.340 0.022 0.000 0.202 487 Q C 1.422 177.302 176.000 -0.201 0.000 0.978 487 Q CA 1.612 57.210 55.803 -0.342 0.000 0.844 487 Q CB -0.060 28.428 28.738 -0.418 0.000 0.898 487 Q HN 0.521 nan 8.270 nan 0.000 0.426 488 D N 0.084 120.374 120.400 -0.183 0.000 2.348 488 D HA -0.013 4.641 4.640 0.022 0.000 0.211 488 D C 0.590 176.899 176.300 0.015 0.000 0.998 488 D CA 0.315 54.309 54.000 -0.011 0.000 0.873 488 D CB 0.077 40.989 40.800 0.188 0.000 0.925 488 D HN 0.124 nan 8.370 nan 0.000 0.524 489 S N -0.283 115.289 115.700 -0.213 0.000 2.614 489 S HA 0.547 5.031 4.470 0.022 0.000 0.265 489 S C 0.943 175.513 174.600 -0.051 0.000 1.303 489 S CA -0.544 57.568 58.200 -0.147 0.000 1.000 489 S CB 1.594 64.457 63.200 -0.562 0.000 0.935 489 S HN 0.109 nan 8.310 nan 0.000 0.551 490 G N -0.213 108.598 108.800 0.020 0.000 2.504 490 G HA2 0.395 4.368 3.960 0.022 0.000 0.257 490 G HA3 0.395 4.368 3.960 0.022 0.000 0.257 490 G C 0.469 175.360 174.900 -0.014 0.000 1.451 490 G CA -0.736 44.373 45.100 0.015 0.000 1.059 490 G HN 0.555 nan 8.290 nan 0.000 0.550 491 L N -0.157 121.067 121.223 0.001 0.000 2.275 491 L HA 0.134 4.488 4.340 0.022 0.000 0.215 491 L C 1.196 178.067 176.870 0.000 0.000 1.119 491 L CA 1.277 56.116 54.840 -0.002 0.000 0.790 491 L CB -0.434 41.631 42.059 0.010 0.000 0.919 491 L HN 0.456 nan 8.230 nan 0.000 0.443 492 E N -1.164 119.042 120.200 0.011 0.000 2.234 492 E HA 0.601 4.965 4.350 0.022 0.000 0.266 492 E C -1.321 175.293 176.600 0.024 0.000 0.877 492 E CA -0.427 55.986 56.400 0.021 0.000 0.758 492 E CB 3.070 32.789 29.700 0.032 0.000 1.170 492 E HN -0.193 nan 8.360 nan 0.000 0.415 493 V N 2.824 122.746 119.914 0.015 0.000 2.969 493 V HA 0.358 4.491 4.120 0.022 0.000 0.304 493 V C -1.778 174.344 176.094 0.046 0.000 1.192 493 V CA -0.745 61.563 62.300 0.014 0.000 0.962 493 V CB 2.328 34.059 31.823 -0.153 0.000 1.045 493 V HN 0.640 nan 8.190 nan 0.000 0.428 494 N N 6.091 124.856 118.700 0.109 0.000 2.400 494 N HA 0.612 5.365 4.740 0.022 0.000 0.288 494 N C -1.129 174.414 175.510 0.056 0.000 1.024 494 N CA -0.352 52.779 53.050 0.135 0.000 0.894 494 N CB 1.943 40.529 38.487 0.164 0.000 1.173 494 N HN 0.558 nan 8.380 nan 0.000 0.487 495 I N 1.752 122.308 120.570 -0.023 0.000 2.465 495 I HA 0.366 4.549 4.170 0.022 0.000 0.291 495 I C -0.325 175.714 176.117 -0.130 0.000 1.014 495 I CA -0.872 60.375 61.300 -0.087 0.000 1.093 495 I CB 1.749 39.675 38.000 -0.124 0.000 1.267 495 I HN 0.016 nan 8.210 nan 0.000 0.431 496 V N 4.563 124.364 119.914 -0.187 0.000 2.350 496 V HA 0.440 4.574 4.120 0.022 0.000 0.285 496 V C 0.192 176.235 176.094 -0.085 0.000 1.014 496 V CA -0.314 61.868 62.300 -0.197 0.000 0.831 496 V CB 1.671 33.231 31.823 -0.439 0.000 1.000 496 V HN 0.902 nan 8.190 nan 0.000 0.433 497 T N 1.661 116.198 114.554 -0.029 0.000 2.932 497 T HA 0.406 4.769 4.350 0.022 0.000 0.289 497 T C 0.376 175.061 174.700 -0.025 0.000 1.039 497 T CA -0.407 61.710 62.100 0.029 0.000 1.024 497 T CB 1.740 70.663 68.868 0.091 0.000 1.090 497 T HN 0.814 nan 8.240 nan 0.000 0.496 498 D N 0.803 121.203 120.400 0.000 0.000 2.398 498 D HA 0.100 4.754 4.640 0.022 0.000 0.210 498 D C 0.583 177.053 176.300 0.284 0.000 1.094 498 D CA -0.133 53.801 54.000 -0.110 0.000 0.839 498 D CB 0.052 40.813 40.800 -0.066 0.000 0.963 498 D HN 0.295 nan 8.370 nan 0.000 0.506 499 S N 1.288 117.185 115.700 0.329 0.000 2.411 499 S HA 0.049 4.533 4.470 0.022 0.000 0.304 499 S C 1.405 176.243 174.600 0.397 0.000 1.098 499 S CA -0.518 57.893 58.200 0.351 0.000 1.068 499 S CB 0.765 64.117 63.200 0.254 0.000 1.032 499 S HN 0.262 nan 8.310 nan 0.000 0.511 500 Q N 4.634 124.629 119.800 0.324 0.000 2.226 500 Q HA -0.199 4.154 4.340 0.022 0.000 0.204 500 Q C 1.372 177.396 176.000 0.041 0.000 0.975 500 Q CA 1.350 57.112 55.803 -0.068 0.000 0.866 500 Q CB -0.522 28.061 28.738 -0.259 0.000 0.915 500 Q HN 0.845 nan 8.270 nan 0.000 0.440 501 Y N 1.997 122.309 120.300 0.018 0.000 2.044 501 Y HA -0.204 4.361 4.550 0.023 0.000 0.264 501 Y C 2.656 178.580 175.900 0.040 0.000 1.111 501 Y CA 1.879 59.994 58.100 0.026 0.000 1.088 501 Y CB -1.033 37.456 38.460 0.048 0.000 0.981 501 Y HN 0.155 nan 8.280 nan 0.000 0.478 502 A N 1.203 123.950 122.820 -0.121 0.000 1.997 502 A HA -0.221 4.113 4.320 0.022 0.000 0.221 502 A C 2.389 179.895 177.584 -0.129 0.000 1.172 502 A CA 1.866 53.760 52.037 -0.238 0.000 0.645 502 A CB -1.294 17.690 19.000 -0.028 0.000 0.813 502 A HN 0.664 nan 8.150 nan 0.000 0.454 503 L N -0.399 120.810 121.223 -0.023 0.000 1.989 503 L HA -0.153 4.201 4.340 0.022 0.000 0.211 503 L C 2.452 179.297 176.870 -0.041 0.000 1.071 503 L CA 2.579 57.415 54.840 -0.007 0.000 0.749 503 L CB -1.648 40.431 42.059 0.033 0.000 0.890 503 L HN 0.416 nan 8.230 nan 0.000 0.431 504 G N 0.192 108.953 108.800 -0.065 0.000 2.459 504 G HA2 -0.274 3.700 3.960 0.022 0.000 0.217 504 G HA3 -0.274 3.700 3.960 0.022 0.000 0.217 504 G C 1.685 176.592 174.900 0.012 0.000 1.183 504 G CA 1.012 46.094 45.100 -0.031 0.000 0.776 504 G HN 0.416 nan 8.290 nan 0.000 0.552 505 I N 0.755 121.268 120.570 -0.096 0.000 2.074 505 I HA -0.278 3.906 4.170 0.022 0.000 0.238 505 I C 2.771 178.879 176.117 -0.016 0.000 1.037 505 I CA 1.489 62.731 61.300 -0.097 0.000 1.301 505 I CB -0.295 37.486 38.000 -0.365 0.000 1.016 505 I HN 0.163 nan 8.210 nan 0.000 0.400 506 I N -0.157 120.385 120.570 -0.046 0.000 2.361 506 I HA -0.320 3.863 4.170 0.022 0.000 0.251 506 I C 2.583 178.771 176.117 0.118 0.000 1.133 506 I CA 1.306 62.628 61.300 0.037 0.000 1.413 506 I CB -0.474 37.524 38.000 -0.003 0.000 1.073 506 I HN 0.404 nan 8.210 nan 0.000 0.424 507 Q N 0.799 120.651 119.800 0.087 0.000 2.170 507 Q HA -0.149 4.204 4.340 0.022 0.000 0.203 507 Q C 2.131 178.235 176.000 0.173 0.000 0.976 507 Q CA 1.530 57.399 55.803 0.110 0.000 0.858 507 Q CB -0.073 28.710 28.738 0.075 0.000 0.907 507 Q HN 0.562 nan 8.270 nan 0.000 0.433 508 A N 0.076 123.037 122.820 0.235 0.000 2.239 508 A HA -0.085 4.248 4.320 0.022 0.000 0.209 508 A C 0.114 177.906 177.584 0.346 0.000 1.171 508 A CA 0.266 52.503 52.037 0.333 0.000 0.768 508 A CB -0.196 19.059 19.000 0.425 0.000 0.790 508 A HN 0.500 nan 8.150 nan 0.000 0.478 509 Q N -1.035 118.912 119.800 0.245 0.000 2.443 509 Q HA -0.141 4.212 4.340 0.022 0.000 0.337 509 Q C -2.236 173.824 176.000 0.100 0.000 1.401 509 Q CA 0.417 56.304 55.803 0.139 0.000 0.943 509 Q CB -1.532 27.203 28.738 -0.005 0.000 1.177 509 Q HN 0.624 nan 8.270 nan 0.000 0.394 510 P HA -0.009 nan 4.420 nan 0.000 0.272 510 P C -0.098 177.285 177.300 0.138 0.000 1.240 510 P CA 0.390 63.561 63.100 0.120 0.000 0.791 510 P CB 0.748 32.524 31.700 0.127 0.000 0.978 511 D N -1.702 118.724 120.400 0.044 0.000 2.525 511 D HA 0.052 4.705 4.640 0.022 0.000 0.231 511 D C 0.069 176.313 176.300 -0.093 0.000 1.216 511 D CA 0.105 54.090 54.000 -0.024 0.000 0.813 511 D CB 0.132 40.872 40.800 -0.100 0.000 1.108 511 D HN 0.516 nan 8.370 nan 0.000 0.524 512 Q N -0.930 118.858 119.800 -0.021 0.000 2.353 512 Q HA 0.657 5.010 4.340 0.022 0.000 0.275 512 Q C -1.416 174.619 176.000 0.059 0.000 1.029 512 Q CA -0.983 54.810 55.803 -0.017 0.000 0.848 512 Q CB 2.191 30.920 28.738 -0.014 0.000 1.390 512 Q HN -0.041 nan 8.270 nan 0.000 0.401 513 S N 0.182 115.917 115.700 0.058 0.000 2.556 513 S HA 0.291 4.774 4.470 0.022 0.000 0.271 513 S C -0.170 174.487 174.600 0.094 0.000 1.135 513 S CA -0.496 57.799 58.200 0.158 0.000 0.858 513 S CB 1.748 65.039 63.200 0.152 0.000 1.114 513 S HN 0.648 nan 8.310 nan 0.000 0.468 514 E N 1.221 121.490 120.200 0.115 0.000 2.230 514 E HA 0.071 4.434 4.350 0.022 0.000 0.192 514 E C 0.784 177.417 176.600 0.056 0.000 0.987 514 E CA 0.379 56.813 56.400 0.057 0.000 0.841 514 E CB -0.238 29.483 29.700 0.036 0.000 0.783 514 E HN 0.432 nan 8.360 nan 0.000 0.481 515 S N 0.595 116.352 115.700 0.095 0.000 2.565 515 S HA 0.057 4.541 4.470 0.022 0.000 0.274 515 S C 1.019 175.616 174.600 -0.006 0.000 1.309 515 S CA -0.415 57.818 58.200 0.055 0.000 1.043 515 S CB 1.718 64.972 63.200 0.091 0.000 0.939 515 S HN 0.116 nan 8.310 nan 0.000 0.504 516 E N 3.497 123.674 120.200 -0.037 0.000 2.076 516 E HA -0.060 4.304 4.350 0.022 0.000 0.190 516 E C 1.817 178.328 176.600 -0.148 0.000 0.979 516 E CA 0.497 56.849 56.400 -0.079 0.000 0.807 516 E CB -0.103 29.553 29.700 -0.073 0.000 0.761 516 E HN 0.807 nan 8.360 nan 0.000 0.454 517 L N 0.721 121.844 121.223 -0.166 0.000 1.978 517 L HA -0.275 4.079 4.340 0.022 0.000 0.218 517 L C 2.514 179.213 176.870 -0.286 0.000 1.075 517 L CA 1.617 56.287 54.840 -0.284 0.000 0.767 517 L CB -0.514 41.433 42.059 -0.187 0.000 0.890 517 L HN 0.136 nan 8.230 nan 0.000 0.434 518 V N 0.235 120.038 119.914 -0.185 0.000 2.222 518 V HA -0.406 3.727 4.120 0.022 0.000 0.252 518 V C 2.192 178.184 176.094 -0.171 0.000 1.060 518 V CA 2.490 64.675 62.300 -0.191 0.000 1.027 518 V CB -1.005 30.691 31.823 -0.211 0.000 0.644 518 V HN 0.535 nan 8.190 nan 0.000 0.448 519 N N -0.168 118.450 118.700 -0.136 0.000 2.091 519 N HA -0.237 4.517 4.740 0.022 0.000 0.193 519 N C 1.889 177.316 175.510 -0.138 0.000 1.021 519 N CA 1.841 54.818 53.050 -0.122 0.000 0.862 519 N CB -0.409 38.019 38.487 -0.098 0.000 1.018 519 N HN 0.649 nan 8.380 nan 0.000 0.429 520 Q N 0.000 119.682 119.800 -0.197 0.000 2.020 520 Q HA -0.067 4.286 4.340 0.022 0.000 0.202 520 Q C 2.136 178.104 176.000 -0.054 0.000 0.982 520 Q CA 1.153 56.840 55.803 -0.194 0.000 0.838 520 Q CB -0.186 28.222 28.738 -0.550 0.000 0.899 520 Q HN 0.432 nan 8.270 nan 0.000 0.423 521 I N 0.692 121.185 120.570 -0.128 0.000 2.127 521 I HA -0.320 3.863 4.170 0.022 0.000 0.241 521 I C 2.283 178.342 176.117 -0.097 0.000 1.075 521 I CA 1.280 62.592 61.300 0.019 0.000 1.334 521 I CB -0.442 37.533 38.000 -0.043 0.000 1.040 521 I HN 0.231 nan 8.210 nan 0.000 0.405 522 I N 0.523 121.001 120.570 -0.153 0.000 2.236 522 I HA -0.330 3.854 4.170 0.022 0.000 0.249 522 I C 2.543 178.544 176.117 -0.194 0.000 1.102 522 I CA 1.422 62.593 61.300 -0.215 0.000 1.365 522 I CB -0.424 37.505 38.000 -0.119 0.000 1.051 522 I HN 0.268 nan 8.210 nan 0.000 0.420 523 E N 0.582 120.715 120.200 -0.111 0.000 2.085 523 E HA -0.230 4.133 4.350 0.022 0.000 0.194 523 E C 2.218 178.781 176.600 -0.062 0.000 0.994 523 E CA 1.305 57.664 56.400 -0.069 0.000 0.801 523 E CB -0.033 29.650 29.700 -0.028 0.000 0.743 523 E HN 0.354 nan 8.360 nan 0.000 0.453 524 Q N -0.146 119.619 119.800 -0.058 0.000 2.050 524 Q HA -0.110 4.243 4.340 0.022 0.000 0.202 524 Q C 2.483 178.399 176.000 -0.139 0.000 0.980 524 Q CA 1.069 56.824 55.803 -0.080 0.000 0.840 524 Q CB -0.417 28.275 28.738 -0.077 0.000 0.898 524 Q HN 0.375 nan 8.270 nan 0.000 0.424 525 L N 0.206 121.277 121.223 -0.253 0.000 1.989 525 L HA -0.204 4.149 4.340 0.022 0.000 0.211 525 L C 2.469 179.206 176.870 -0.222 0.000 1.071 525 L CA 1.121 55.729 54.840 -0.387 0.000 0.749 525 L CB -0.669 40.811 42.059 -0.966 0.000 0.890 525 L HN 0.174 nan 8.230 nan 0.000 0.431 526 I N -0.303 120.173 120.570 -0.157 0.000 2.335 526 I HA -0.281 3.902 4.170 0.022 0.000 0.251 526 I C 2.525 178.696 176.117 0.090 0.000 1.129 526 I CA 1.109 62.474 61.300 0.110 0.000 1.402 526 I CB -0.394 37.717 38.000 0.184 0.000 1.069 526 I HN 0.275 nan 8.210 nan 0.000 0.424 527 K N 1.014 121.427 120.400 0.022 0.000 2.103 527 K HA 0.014 4.347 4.320 0.022 0.000 0.204 527 K C 0.840 177.449 176.600 0.014 0.000 1.052 527 K CA 0.709 57.009 56.287 0.022 0.000 0.945 527 K CB -0.299 32.199 32.500 -0.003 0.000 0.722 527 K HN 0.232 nan 8.250 nan 0.000 0.443 528 K N 1.529 121.923 120.400 -0.010 0.000 2.286 528 K HA -0.021 4.312 4.320 0.022 0.000 0.256 528 K C 1.215 177.832 176.600 0.029 0.000 0.999 528 K CA 0.218 56.501 56.287 -0.007 0.000 0.908 528 K CB 0.511 32.991 32.500 -0.033 0.000 0.981 528 K HN 0.022 nan 8.250 nan 0.000 0.500 529 E N 1.110 121.326 120.200 0.027 0.000 2.166 529 E HA 0.034 4.398 4.350 0.022 0.000 0.192 529 E C -0.253 176.377 176.600 0.049 0.000 0.967 529 E CA 0.854 57.277 56.400 0.039 0.000 0.840 529 E CB 0.490 30.207 29.700 0.029 0.000 0.795 529 E HN 0.364 nan 8.360 nan 0.000 0.470 530 K N 0.296 120.722 120.400 0.044 0.000 2.589 530 K HA 0.383 4.716 4.320 0.022 0.000 0.253 530 K C -1.487 175.148 176.600 0.057 0.000 0.974 530 K CA -0.284 56.039 56.287 0.060 0.000 0.835 530 K CB 2.910 35.443 32.500 0.055 0.000 1.272 530 K HN -0.227 nan 8.250 nan 0.000 0.444 531 V N 3.237 123.199 119.914 0.080 0.000 2.531 531 V HA 0.363 4.496 4.120 0.022 0.000 0.301 531 V C -1.453 174.724 176.094 0.139 0.000 1.034 531 V CA -0.884 61.455 62.300 0.065 0.000 0.865 531 V CB 1.521 33.348 31.823 0.007 0.000 0.995 531 V HN 0.682 nan 8.190 nan 0.000 0.424 532 Y N 5.362 125.662 120.300 0.000 0.000 2.328 532 Y HA 0.657 5.220 4.550 0.022 0.000 0.333 532 Y C -0.842 175.059 175.900 0.001 0.000 0.958 532 Y CA -0.778 57.330 58.100 0.012 0.000 1.167 532 Y CB 1.421 39.888 38.460 0.011 0.000 1.151 532 Y HN 0.582 nan 8.280 nan 0.000 0.470 533 L N 5.913 126.818 121.223 -0.529 0.000 2.309 533 L HA 0.877 5.231 4.340 0.022 0.000 0.282 533 L C -0.677 175.824 176.870 -0.615 0.000 1.036 533 L CA -0.642 53.956 54.840 -0.405 0.000 0.806 533 L CB 1.109 43.049 42.059 -0.198 0.000 1.220 533 L HN 0.853 nan 8.230 nan 0.000 0.429 534 A N 3.847 126.469 122.820 -0.329 0.000 2.498 534 A HA 0.577 4.910 4.320 0.022 0.000 0.298 534 A C -2.074 175.529 177.584 0.032 0.000 1.075 534 A CA -0.480 51.452 52.037 -0.176 0.000 0.714 534 A CB 1.418 20.369 19.000 -0.082 0.000 1.299 534 A HN 0.769 nan 8.150 nan 0.000 0.407 535 W N 1.663 122.923 121.300 -0.067 0.000 2.706 535 W HA 0.647 5.320 4.660 0.022 0.000 0.346 535 W C -1.115 175.413 176.519 0.015 0.000 1.071 535 W CA -0.396 56.936 57.345 -0.022 0.000 1.206 535 W CB 1.964 31.413 29.460 -0.019 0.000 1.413 535 W HN 1.115 nan 8.180 nan 0.000 0.542 536 V N 3.554 122.802 119.914 -1.109 0.000 2.817 536 V HA 0.577 4.711 4.120 0.022 0.000 0.303 536 V C -2.629 172.642 176.094 -1.373 0.000 1.151 536 V CA -2.405 59.275 62.300 -1.034 0.000 0.929 536 V CB 1.508 33.103 31.823 -0.378 0.000 1.030 536 V HN 0.575 nan 8.190 nan 0.000 0.427 537 P HA 0.219 nan 4.420 nan 0.000 0.265 537 P C 0.169 177.308 177.300 -0.269 0.000 1.187 537 P CA 0.693 63.439 63.100 -0.591 0.000 0.766 537 P CB 0.917 32.479 31.700 -0.230 0.000 0.820 538 A N 2.589 125.357 122.820 -0.086 0.000 2.296 538 A HA 0.349 4.683 4.320 0.022 0.000 0.264 538 A C 0.390 178.039 177.584 0.107 0.000 1.097 538 A CA 0.140 52.181 52.037 0.006 0.000 0.811 538 A CB -0.630 18.403 19.000 0.055 0.000 1.072 538 A HN 0.923 nan 8.150 nan 0.000 0.495 539 H N 0.000 119.057 119.070 -0.022 0.000 2.539 539 H HA 0.000 4.569 4.556 0.022 0.000 0.296 539 H CA 0.000 56.040 56.048 -0.014 0.000 1.023 539 H CB 0.000 29.761 29.762 -0.001 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496