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 2r7d_1_B DATA FIRST_RESID 3 DATA SEQUENCE QPELTPAQRT EVELLARGRA DKSRVLRDLK LPETPEAAHA LLLRLGVWDE DATA SEQUENCE ARTPYADRLR AALNAVELPV PDFDPAEERL DLTHLPTFAI DDEGNQDPDD DATA SEQUENCE AVGVEDLGGG LTRLWVHVAD VAALVAPDSP LDLEARARGA TLYLPDRTIG DATA SEQUENCE XLPDELVAKA GLGLHEVSPA LSICLDLDPD GNAEAVDVLL TRVKVQRLAY DATA SEQUENCE QEAQARLEAG EEPFVTLARL ARASRRLREG EGALSIDLPE VRVKADETGA DATA SEQUENCE SVFPLPKPEX RTVVQECXTL AGWGTAIFAD DNEIPLPFAT QDYPTREVAG DATA SEQUENCE DTLPAXWARR KTLARTRFQP SPGPHHGXGL DLYAQATSPX RRYLDLVVHQ DATA SEQUENCE QLRAFLAGRD PLSSKVXAAH IAESQXNADA TRQAERLSRR HHTLRFIAAQ DATA SEQUENCE PERVWDAVVV DRRGAQATLL IPDLAFDVQV NTPAAPGTAL QVQFADIDLP DATA SEQUENCE QXRVRARSV 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.997 176.000 -0.005 0.000 1.003 3 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 3 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 4 P HA 0.010 nan 4.420 nan 0.000 0.264 4 P C -1.128 176.166 177.300 -0.009 0.000 1.193 4 P CA 0.787 63.881 63.100 -0.010 0.000 0.763 4 P CB 0.536 32.227 31.700 -0.015 0.000 0.810 5 E N 2.243 122.439 120.200 -0.008 0.000 2.092 5 E HA 0.334 4.684 4.350 -0.000 0.000 0.271 5 E C -0.616 175.979 176.600 -0.009 0.000 0.919 5 E CA -0.816 55.581 56.400 -0.006 0.000 0.760 5 E CB 0.944 30.643 29.700 -0.003 0.000 1.106 5 E HN 0.296 nan 8.360 nan 0.000 0.408 6 L N 2.368 123.584 121.223 -0.011 0.000 2.322 6 L HA 0.257 4.597 4.340 -0.000 0.000 0.279 6 L C 0.942 177.806 176.870 -0.009 0.000 1.036 6 L CA -0.434 54.398 54.840 -0.014 0.000 0.807 6 L CB 1.297 43.342 42.059 -0.024 0.000 1.226 6 L HN 0.513 nan 8.230 nan 0.000 0.433 7 T N -0.489 114.060 114.554 -0.008 0.000 2.766 7 T HA 0.223 4.573 4.350 -0.000 0.000 0.295 7 T C -1.691 173.007 174.700 -0.003 0.000 1.024 7 T CA -1.121 60.977 62.100 -0.004 0.000 1.018 7 T CB 0.516 69.382 68.868 -0.004 0.000 1.002 7 T HN 0.570 nan 8.240 nan 0.000 0.532 8 P HA -0.060 nan 4.420 nan 0.000 0.218 8 P C 1.551 178.852 177.300 0.002 0.000 1.149 8 P CA 1.333 64.436 63.100 0.005 0.000 0.817 8 P CB -0.343 31.363 31.700 0.010 0.000 0.785 9 A N 0.493 123.312 122.820 -0.001 0.000 1.902 9 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 9 A C 2.376 179.954 177.584 -0.011 0.000 1.181 9 A CA 1.545 53.580 52.037 -0.004 0.000 0.623 9 A CB -1.347 17.651 19.000 -0.004 0.000 0.818 9 A HN 0.203 nan 8.150 nan 0.000 0.443 10 Q N -0.899 118.892 119.800 -0.014 0.000 2.172 10 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 10 Q C 2.304 178.283 176.000 -0.035 0.000 0.964 10 Q CA 1.106 56.895 55.803 -0.023 0.000 0.855 10 Q CB -0.120 28.605 28.738 -0.023 0.000 0.918 10 Q HN 0.596 nan 8.270 nan 0.000 0.444 11 R N -0.203 120.278 120.500 -0.030 0.000 2.092 11 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 11 R C 2.194 178.466 176.300 -0.047 0.000 1.119 11 R CA 1.547 57.620 56.100 -0.045 0.000 0.970 11 R CB -0.146 30.141 30.300 -0.022 0.000 0.864 11 R HN 0.180 nan 8.270 nan 0.000 0.440 12 T N 0.568 115.110 114.554 -0.019 0.000 2.821 12 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 12 T C 1.615 176.301 174.700 -0.024 0.000 1.046 12 T CA 1.219 63.315 62.100 -0.006 0.000 1.139 12 T CB -0.056 68.816 68.868 0.008 0.000 0.871 12 T HN 0.406 nan 8.240 nan 0.000 0.454 13 E N 0.778 120.959 120.200 -0.031 0.000 2.058 13 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 13 E C 2.132 178.697 176.600 -0.059 0.000 0.997 13 E CA 1.194 57.573 56.400 -0.036 0.000 0.801 13 E CB -0.103 29.578 29.700 -0.031 0.000 0.746 13 E HN 0.281 nan 8.360 nan 0.000 0.450 14 V N 1.188 121.051 119.914 -0.086 0.000 2.427 14 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 14 V C 2.379 178.361 176.094 -0.188 0.000 1.051 14 V CA 2.077 64.298 62.300 -0.131 0.000 1.048 14 V CB -0.548 31.181 31.823 -0.156 0.000 0.666 14 V HN 0.340 nan 8.190 nan 0.000 0.456 15 E N -0.007 120.088 120.200 -0.176 0.000 2.051 15 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 15 E C 2.240 178.806 176.600 -0.057 0.000 0.991 15 E CA 1.122 57.423 56.400 -0.165 0.000 0.799 15 E CB -0.038 29.661 29.700 -0.003 0.000 0.748 15 E HN 0.350 nan 8.360 nan 0.000 0.449 16 L N 0.730 121.935 121.223 -0.029 0.000 2.127 16 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 16 L C 2.525 179.380 176.870 -0.025 0.000 1.089 16 L CA 1.067 55.901 54.840 -0.009 0.000 0.757 16 L CB -0.997 41.056 42.059 -0.009 0.000 0.899 16 L HN 0.346 nan 8.230 nan 0.000 0.434 17 L N 0.246 121.436 121.223 -0.054 0.000 2.072 17 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 17 L C 2.596 179.428 176.870 -0.064 0.000 1.079 17 L CA 1.875 56.684 54.840 -0.053 0.000 0.752 17 L CB -0.767 41.255 42.059 -0.061 0.000 0.906 17 L HN 0.111 nan 8.230 nan 0.000 0.436 18 A N -0.225 122.519 122.820 -0.127 0.000 1.972 18 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 18 A C 2.300 179.862 177.584 -0.037 0.000 1.169 18 A CA 1.627 53.567 52.037 -0.162 0.000 0.635 18 A CB -0.530 18.167 19.000 -0.506 0.000 0.810 18 A HN 0.537 nan 8.150 nan 0.000 0.446 19 R N -1.417 119.099 120.500 0.027 0.000 2.310 19 R HA 0.203 4.543 4.340 -0.000 0.000 0.202 19 R C 1.286 177.591 176.300 0.007 0.000 0.933 19 R CA 0.492 56.622 56.100 0.051 0.000 1.054 19 R CB -0.105 30.249 30.300 0.090 0.000 0.985 19 R HN 0.666 nan 8.270 nan 0.000 0.489 20 G N 1.664 110.463 108.800 -0.002 0.000 2.162 20 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 20 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 20 G C 0.975 175.877 174.900 0.003 0.000 0.976 20 G CA 0.733 45.835 45.100 0.002 0.000 0.655 20 G HN 0.292 nan 8.290 nan 0.000 0.533 21 R N 0.773 121.275 120.500 0.003 0.000 2.193 21 R HA 0.558 4.898 4.340 -0.000 0.000 0.213 21 R C 1.309 177.608 176.300 -0.001 0.000 1.055 21 R CA 1.940 58.041 56.100 0.002 0.000 0.995 21 R CB -0.312 29.991 30.300 0.006 0.000 0.893 21 R HN 1.121 nan 8.270 nan 0.000 0.459 22 A N -0.726 122.091 122.820 -0.005 0.000 2.380 22 A HA 0.430 4.750 4.320 -0.000 0.000 0.315 22 A C -0.528 177.051 177.584 -0.008 0.000 1.101 22 A CA -0.441 51.591 52.037 -0.008 0.000 0.771 22 A CB 1.519 20.511 19.000 -0.014 0.000 1.287 22 A HN 0.207 nan 8.150 nan 0.000 0.436 23 D N -0.432 119.964 120.400 -0.006 0.000 2.407 23 D HA 0.169 4.809 4.640 -0.000 0.000 0.208 23 D C 0.256 176.552 176.300 -0.007 0.000 1.083 23 D CA 0.830 54.827 54.000 -0.004 0.000 0.844 23 D CB 0.206 41.005 40.800 -0.001 0.000 0.967 23 D HN 0.294 nan 8.370 nan 0.000 0.506 24 K N -0.552 119.841 120.400 -0.011 0.000 2.395 24 K HA 0.596 4.916 4.320 -0.000 0.000 0.245 24 K C -1.272 175.316 176.600 -0.019 0.000 1.017 24 K CA -0.862 55.417 56.287 -0.013 0.000 0.852 24 K CB 1.814 34.308 32.500 -0.010 0.000 1.311 24 K HN -0.149 nan 8.250 nan 0.000 0.452 25 S N 0.404 116.092 115.700 -0.021 0.000 2.599 25 S HA 0.220 4.690 4.470 -0.000 0.000 0.269 25 S C -0.048 174.538 174.600 -0.022 0.000 1.135 25 S CA -0.531 57.653 58.200 -0.026 0.000 1.027 25 S CB 1.168 64.345 63.200 -0.037 0.000 1.129 25 S HN 0.604 nan 8.310 nan 0.000 0.458 26 R N 3.355 123.843 120.500 -0.020 0.000 2.152 26 R HA 0.062 4.402 4.340 -0.000 0.000 0.232 26 R C 1.703 177.991 176.300 -0.019 0.000 1.117 26 R CA 2.024 58.114 56.100 -0.017 0.000 0.981 26 R CB -0.900 29.391 30.300 -0.014 0.000 0.870 26 R HN 0.587 nan 8.270 nan 0.000 0.451 27 V N 0.359 120.258 119.914 -0.025 0.000 2.261 27 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 27 V C 2.285 178.362 176.094 -0.027 0.000 1.047 27 V CA 1.861 64.144 62.300 -0.027 0.000 1.015 27 V CB -0.464 31.338 31.823 -0.036 0.000 0.642 27 V HN 0.270 nan 8.190 nan 0.000 0.446 28 L N -0.458 120.746 121.223 -0.031 0.000 2.046 28 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 28 L C 2.762 179.620 176.870 -0.020 0.000 1.077 28 L CA 1.872 56.695 54.840 -0.029 0.000 0.747 28 L CB -0.614 41.425 42.059 -0.032 0.000 0.896 28 L HN 0.276 nan 8.230 nan 0.000 0.432 29 R N 0.388 120.877 120.500 -0.018 0.000 2.083 29 R HA -0.255 4.085 4.340 -0.000 0.000 0.237 29 R C 1.973 178.266 176.300 -0.012 0.000 1.137 29 R CA 2.351 58.444 56.100 -0.013 0.000 0.951 29 R CB -0.250 30.043 30.300 -0.012 0.000 0.851 29 R HN 0.357 nan 8.270 nan 0.000 0.434 30 D N -0.077 120.315 120.400 -0.013 0.000 2.144 30 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 30 D C 1.643 177.936 176.300 -0.012 0.000 0.978 30 D CA 0.916 54.909 54.000 -0.012 0.000 0.833 30 D CB 0.026 40.819 40.800 -0.012 0.000 0.961 30 D HN 0.278 nan 8.370 nan 0.000 0.470 31 L N -0.043 121.171 121.223 -0.014 0.000 2.650 31 L HA 0.127 4.467 4.340 -0.000 0.000 0.235 31 L C 0.331 177.193 176.870 -0.012 0.000 1.149 31 L CA 0.166 54.997 54.840 -0.014 0.000 0.887 31 L CB -0.393 41.655 42.059 -0.019 0.000 1.021 31 L HN 0.062 nan 8.230 nan 0.000 0.441 32 K N 0.659 121.052 120.400 -0.011 0.000 3.150 32 K HA -0.173 4.147 4.320 -0.000 0.000 0.267 32 K C -0.644 175.951 176.600 -0.009 0.000 1.028 32 K CA 0.444 56.725 56.287 -0.009 0.000 0.753 32 K CB -1.613 30.883 32.500 -0.007 0.000 1.288 32 K HN 0.287 nan 8.250 nan 0.000 0.473 33 L N 0.528 121.744 121.223 -0.012 0.000 2.354 33 L HA 0.532 4.872 4.340 -0.000 0.000 0.269 33 L C -1.896 174.968 176.870 -0.011 0.000 1.005 33 L CA -2.474 52.358 54.840 -0.012 0.000 0.819 33 L CB 1.594 43.643 42.059 -0.018 0.000 1.311 33 L HN -0.084 nan 8.230 nan 0.000 0.423 34 P HA 0.013 nan 4.420 nan 0.000 0.268 34 P C -0.926 176.369 177.300 -0.008 0.000 1.205 34 P CA -0.102 62.995 63.100 -0.005 0.000 0.771 34 P CB 0.540 32.241 31.700 0.000 0.000 0.858 35 E N 1.455 121.650 120.200 -0.007 0.000 2.110 35 E HA 0.155 4.505 4.350 -0.000 0.000 0.300 35 E C 0.287 176.883 176.600 -0.006 0.000 1.278 35 E CA -0.167 56.227 56.400 -0.011 0.000 1.365 35 E CB -0.163 29.531 29.700 -0.011 0.000 1.283 35 E HN 0.493 nan 8.360 nan 0.000 0.490 36 T N -2.511 112.041 114.554 -0.004 0.000 2.907 36 T HA 0.313 4.663 4.350 -0.000 0.000 0.292 36 T C -2.330 172.372 174.700 0.003 0.000 1.043 36 T CA -2.495 59.608 62.100 0.006 0.000 1.003 36 T CB 2.136 71.015 68.868 0.018 0.000 1.084 36 T HN -0.214 nan 8.240 nan 0.000 0.483 37 P HA -0.065 nan 4.420 nan 0.000 0.216 37 P C 1.045 178.369 177.300 0.040 0.000 1.150 37 P CA 1.101 64.204 63.100 0.005 0.000 0.837 37 P CB 0.123 31.834 31.700 0.018 0.000 0.786 38 E N -0.452 119.792 120.200 0.073 0.000 2.072 38 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 38 E C 2.148 178.786 176.600 0.062 0.000 0.985 38 E CA 1.357 57.823 56.400 0.111 0.000 0.801 38 E CB -0.986 28.773 29.700 0.099 0.000 0.750 38 E HN 0.130 nan 8.360 nan 0.000 0.452 39 A N 1.091 123.925 122.820 0.024 0.000 1.933 39 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 39 A C 2.346 179.914 177.584 -0.026 0.000 1.175 39 A CA 1.686 53.721 52.037 -0.004 0.000 0.628 39 A CB -0.740 18.255 19.000 -0.008 0.000 0.814 39 A HN 0.283 nan 8.150 nan 0.000 0.444 40 A N -1.239 121.557 122.820 -0.041 0.000 1.898 40 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 40 A C 2.025 179.524 177.584 -0.142 0.000 1.181 40 A CA 1.690 53.663 52.037 -0.108 0.000 0.620 40 A CB -0.956 17.962 19.000 -0.137 0.000 0.819 40 A HN 0.805 nan 8.150 nan 0.000 0.442 41 H N -0.465 118.479 119.070 -0.210 0.000 2.290 41 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 41 H C 2.345 177.609 175.328 -0.107 0.000 1.087 41 H CA 1.218 57.145 56.048 -0.202 0.000 1.291 41 H CB -0.020 29.728 29.762 -0.025 0.000 1.369 41 H HN 0.455 nan 8.280 nan 0.000 0.492 42 A N 1.016 123.819 122.820 -0.028 0.000 1.883 42 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 42 A C 2.393 179.945 177.584 -0.053 0.000 1.186 42 A CA 1.613 53.599 52.037 -0.085 0.000 0.624 42 A CB -0.877 18.083 19.000 -0.066 0.000 0.822 42 A HN 0.484 nan 8.150 nan 0.000 0.444 43 L N -0.090 121.096 121.223 -0.061 0.000 2.012 43 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 43 L C 2.307 179.129 176.870 -0.079 0.000 1.073 43 L CA 1.814 56.614 54.840 -0.067 0.000 0.748 43 L CB -0.543 41.468 42.059 -0.080 0.000 0.891 43 L HN 0.421 nan 8.230 nan 0.000 0.431 44 L N -1.319 119.817 121.223 -0.146 0.000 2.127 44 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 44 L C 2.508 179.375 176.870 -0.005 0.000 1.089 44 L CA 1.150 55.878 54.840 -0.187 0.000 0.757 44 L CB -0.595 41.113 42.059 -0.585 0.000 0.899 44 L HN 0.344 nan 8.230 nan 0.000 0.434 45 L N -0.805 120.450 121.223 0.054 0.000 2.072 45 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 45 L C 2.869 179.770 176.870 0.052 0.000 1.079 45 L CA 1.120 56.023 54.840 0.105 0.000 0.752 45 L CB -0.422 41.682 42.059 0.074 0.000 0.906 45 L HN 0.196 nan 8.230 nan 0.000 0.436 46 R N 0.106 120.614 120.500 0.014 0.000 2.096 46 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 46 R C 2.065 178.372 176.300 0.011 0.000 1.127 46 R CA 1.102 57.206 56.100 0.007 0.000 0.968 46 R CB -0.292 30.004 30.300 -0.008 0.000 0.861 46 R HN 0.358 nan 8.270 nan 0.000 0.440 47 L N -0.337 120.889 121.223 0.005 0.000 2.554 47 L HA 0.118 4.458 4.340 -0.000 0.000 0.226 47 L C 1.245 178.132 176.870 0.029 0.000 1.137 47 L CA 0.518 55.362 54.840 0.007 0.000 0.863 47 L CB -0.099 41.952 42.059 -0.013 0.000 0.985 47 L HN 0.470 nan 8.230 nan 0.000 0.451 48 G N -0.347 108.484 108.800 0.052 0.000 2.162 48 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 48 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 48 G C 0.804 175.767 174.900 0.106 0.000 0.976 48 G CA 0.493 45.639 45.100 0.077 0.000 0.655 48 G HN 0.169 nan 8.290 nan 0.000 0.533 49 V N -1.639 118.337 119.914 0.103 0.000 2.427 49 V HA 0.104 4.224 4.120 -0.000 0.000 0.248 49 V C 1.296 177.597 176.094 0.345 0.000 1.051 49 V CA 1.773 64.159 62.300 0.144 0.000 1.048 49 V CB -0.288 31.558 31.823 0.038 0.000 0.666 49 V HN 0.412 nan 8.190 nan 0.000 0.456 50 W N 0.780 122.104 121.300 0.040 0.000 2.666 50 W HA 0.531 5.191 4.660 -0.000 0.000 0.334 50 W C -0.386 176.173 176.519 0.066 0.000 1.051 50 W CA -2.067 55.308 57.345 0.051 0.000 1.224 50 W CB 1.043 30.544 29.460 0.070 0.000 1.405 50 W HN 0.228 nan 8.180 nan 0.000 0.513 51 D N -0.750 119.793 120.400 0.239 0.000 2.387 51 D HA 0.202 4.842 4.640 -0.000 0.000 0.255 51 D C 0.405 176.824 176.300 0.197 0.000 1.081 51 D CA -0.454 53.647 54.000 0.168 0.000 0.994 51 D CB 0.980 41.840 40.800 0.100 0.000 1.127 51 D HN 0.481 nan 8.370 nan 0.000 0.513 52 E N -0.594 119.710 120.200 0.173 0.000 2.478 52 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 52 E C 1.422 178.181 176.600 0.265 0.000 1.046 52 E CA 0.504 57.027 56.400 0.204 0.000 0.870 52 E CB -0.080 29.689 29.700 0.116 0.000 0.818 52 E HN 0.553 nan 8.360 nan 0.000 0.527 53 A N 1.344 124.285 122.820 0.201 0.000 2.072 53 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 53 A C 1.420 179.083 177.584 0.133 0.000 1.156 53 A CA -0.011 52.177 52.037 0.252 0.000 0.701 53 A CB -0.064 19.038 19.000 0.171 0.000 0.816 53 A HN 0.023 nan 8.150 nan 0.000 0.458 54 R N 1.472 121.942 120.500 -0.050 0.000 2.442 54 R HA 0.280 4.620 4.340 -0.000 0.000 0.291 54 R C -0.691 175.335 176.300 -0.458 0.000 1.069 54 R CA 0.748 56.649 56.100 -0.331 0.000 1.022 54 R CB 0.317 30.194 30.300 -0.705 0.000 0.976 54 R HN 0.334 nan 8.270 nan 0.000 0.443 55 T N 2.622 116.873 114.554 -0.505 0.000 2.792 55 T HA 0.394 4.744 4.350 -0.000 0.000 0.280 55 T C -1.883 172.504 174.700 -0.523 0.000 0.990 55 T CA -1.591 60.156 62.100 -0.588 0.000 0.960 55 T CB 1.999 70.644 68.868 -0.372 0.000 0.939 55 T HN 0.536 nan 8.240 nan 0.000 0.439 56 P HA 0.189 nan 4.420 nan 0.000 0.274 56 P C 0.233 177.278 177.300 -0.425 0.000 1.352 56 P CA -0.252 62.561 63.100 -0.479 0.000 0.947 56 P CB 0.005 31.482 31.700 -0.373 0.000 1.437 57 Y N 1.243 121.501 120.300 -0.070 0.000 2.242 57 Y HA -0.024 4.526 4.550 -0.000 0.000 0.291 57 Y C 2.838 178.724 175.900 -0.023 0.000 1.137 57 Y CA 1.313 59.397 58.100 -0.027 0.000 1.181 57 Y CB -1.569 36.880 38.460 -0.018 0.000 0.989 57 Y HN -0.004 nan 8.280 nan 0.000 0.527 58 A N 0.148 123.011 122.820 0.072 0.000 1.877 58 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 58 A C 1.987 179.575 177.584 0.007 0.000 1.186 58 A CA 1.945 54.002 52.037 0.034 0.000 0.620 58 A CB -0.721 18.281 19.000 0.002 0.000 0.822 58 A HN 0.346 nan 8.150 nan 0.000 0.443 59 D N -0.434 119.951 120.400 -0.025 0.000 2.097 59 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 59 D C 2.210 178.508 176.300 -0.003 0.000 0.989 59 D CA 1.244 55.231 54.000 -0.023 0.000 0.827 59 D CB -0.315 40.464 40.800 -0.036 0.000 0.966 59 D HN 0.435 nan 8.370 nan 0.000 0.456 60 R N 0.141 120.643 120.500 0.002 0.000 2.081 60 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 60 R C 2.210 178.535 176.300 0.042 0.000 1.131 60 R CA 0.613 56.729 56.100 0.027 0.000 0.960 60 R CB -0.200 30.129 30.300 0.049 0.000 0.856 60 R HN 0.205 nan 8.270 nan 0.000 0.436 61 L N 0.657 121.912 121.223 0.054 0.000 2.627 61 L HA 0.138 4.478 4.340 -0.000 0.000 0.233 61 L C 0.115 176.998 176.870 0.022 0.000 1.144 61 L CA 0.122 54.989 54.840 0.045 0.000 0.892 61 L CB -0.140 41.953 42.059 0.058 0.000 1.039 61 L HN 0.205 nan 8.230 nan 0.000 0.442 62 R N -0.856 119.652 120.500 0.013 0.000 3.641 62 R HA -0.173 4.167 4.340 -0.000 0.000 0.286 62 R C 0.353 176.649 176.300 -0.007 0.000 1.153 62 R CA 0.433 56.533 56.100 0.000 0.000 0.775 62 R CB -2.277 28.022 30.300 -0.001 0.000 1.215 62 R HN 0.341 nan 8.270 nan 0.000 0.474 63 A N 0.919 123.737 122.820 -0.003 0.000 2.363 63 A HA 0.677 4.997 4.320 -0.000 0.000 0.270 63 A C 0.848 178.417 177.584 -0.023 0.000 1.121 63 A CA 0.163 52.192 52.037 -0.012 0.000 0.800 63 A CB 0.612 19.611 19.000 -0.002 0.000 1.052 63 A HN 0.469 nan 8.150 nan 0.000 0.493 64 A N 2.038 124.838 122.820 -0.034 0.000 2.548 64 A HA 0.396 4.716 4.320 -0.000 0.000 0.247 64 A C 0.646 178.205 177.584 -0.043 0.000 1.067 64 A CA 0.068 52.081 52.037 -0.040 0.000 0.757 64 A CB -0.245 18.727 19.000 -0.048 0.000 0.996 64 A HN 0.932 nan 8.150 nan 0.000 0.504 65 L N 1.721 122.920 121.223 -0.041 0.000 2.731 65 L HA 0.114 4.454 4.340 -0.000 0.000 0.240 65 L C 0.709 177.553 176.870 -0.045 0.000 1.120 65 L CA 0.035 54.848 54.840 -0.045 0.000 0.913 65 L CB -0.200 41.831 42.059 -0.045 0.000 1.213 65 L HN 0.946 nan 8.230 nan 0.000 0.515 66 N N 0.343 119.018 118.700 -0.042 0.000 2.473 66 N HA 0.513 5.253 4.740 -0.000 0.000 0.291 66 N C -0.087 175.398 175.510 -0.041 0.000 1.083 66 N CA -0.488 52.539 53.050 -0.038 0.000 0.951 66 N CB 1.383 39.850 38.487 -0.033 0.000 1.164 66 N HN -0.014 nan 8.380 nan 0.000 0.480 67 A N 1.748 124.545 122.820 -0.038 0.000 2.483 67 A HA 0.198 4.518 4.320 -0.000 0.000 0.238 67 A C 0.241 177.803 177.584 -0.036 0.000 1.070 67 A CA -0.673 51.341 52.037 -0.039 0.000 0.770 67 A CB 0.119 19.100 19.000 -0.032 0.000 1.008 67 A HN 0.612 nan 8.150 nan 0.000 0.497 68 V N 2.934 122.826 119.914 -0.037 0.000 2.446 68 V HA 0.053 4.173 4.120 -0.000 0.000 0.276 68 V C 0.531 176.608 176.094 -0.029 0.000 1.030 68 V CA 0.573 62.852 62.300 -0.035 0.000 1.033 68 V CB 0.028 31.830 31.823 -0.036 0.000 0.993 68 V HN 0.894 nan 8.190 nan 0.000 0.477 69 E N 5.330 125.514 120.200 -0.027 0.000 2.597 69 E HA 0.345 4.695 4.350 -0.000 0.000 0.235 69 E C -1.175 175.411 176.600 -0.024 0.000 1.155 69 E CA -0.523 55.863 56.400 -0.024 0.000 1.199 69 E CB 0.659 30.346 29.700 -0.021 0.000 1.409 69 E HN 0.402 nan 8.360 nan 0.000 0.453 70 L N 1.765 122.973 121.223 -0.025 0.000 2.330 70 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 70 L C -2.019 174.835 176.870 -0.027 0.000 1.013 70 L CA -2.717 52.108 54.840 -0.025 0.000 0.816 70 L CB 0.054 42.097 42.059 -0.026 0.000 1.287 70 L HN 0.109 nan 8.230 nan 0.000 0.435 71 P HA 0.147 nan 4.420 nan 0.000 0.269 71 P C -0.989 176.287 177.300 -0.040 0.000 1.209 71 P CA -0.117 62.965 63.100 -0.030 0.000 0.776 71 P CB 1.054 32.737 31.700 -0.027 0.000 0.876 72 V N 4.958 124.843 119.914 -0.049 0.000 2.448 72 V HA 0.297 4.417 4.120 -0.000 0.000 0.295 72 V C -1.891 174.148 176.094 -0.091 0.000 1.025 72 V CA -1.676 60.581 62.300 -0.072 0.000 0.859 72 V CB 1.139 32.918 31.823 -0.074 0.000 0.988 72 V HN 0.574 nan 8.190 nan 0.000 0.431 73 P HA 0.261 nan 4.420 nan 0.000 0.273 73 P C -0.706 176.485 177.300 -0.182 0.000 1.250 73 P CA -0.357 62.671 63.100 -0.120 0.000 0.793 73 P CB 0.581 32.212 31.700 -0.115 0.000 1.011 74 D N -0.514 119.799 120.400 -0.145 0.000 2.385 74 D HA 0.306 4.946 4.640 -0.000 0.000 0.254 74 D C -0.070 176.128 176.300 -0.171 0.000 1.053 74 D CA -0.170 53.739 54.000 -0.151 0.000 0.992 74 D CB 0.536 41.309 40.800 -0.045 0.000 1.145 74 D HN 0.136 nan 8.370 nan 0.000 0.523 75 F N 0.648 120.583 119.950 -0.024 0.000 2.410 75 F HA 0.044 4.571 4.527 -0.000 0.000 0.334 75 F C 1.330 177.116 175.800 -0.023 0.000 1.134 75 F CA -0.166 57.821 58.000 -0.021 0.000 1.227 75 F CB 0.436 39.419 39.000 -0.029 0.000 1.194 75 F HN 0.014 nan 8.300 nan 0.000 0.571 76 D N 3.868 124.388 120.400 0.199 0.000 2.352 76 D HA 0.168 4.808 4.640 -0.000 0.000 0.245 76 D C -1.801 174.544 176.300 0.075 0.000 1.224 76 D CA -1.830 52.229 54.000 0.097 0.000 0.879 76 D CB 1.293 42.135 40.800 0.070 0.000 1.057 76 D HN 0.176 nan 8.370 nan 0.000 0.491 77 P HA -0.048 nan 4.420 nan 0.000 0.218 77 P C 0.849 178.150 177.300 0.003 0.000 1.149 77 P CA 0.811 63.921 63.100 0.016 0.000 0.817 77 P CB 0.288 31.992 31.700 0.008 0.000 0.785 78 A N -0.538 122.287 122.820 0.008 0.000 2.167 78 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 78 A C 1.158 178.744 177.584 0.002 0.000 1.151 78 A CA 0.154 52.192 52.037 0.002 0.000 0.735 78 A CB -0.966 18.035 19.000 0.003 0.000 0.802 78 A HN 0.168 nan 8.150 nan 0.000 0.467 79 E N 1.825 122.031 120.200 0.010 0.000 2.351 79 E HA 0.065 4.415 4.350 -0.000 0.000 0.266 79 E C -0.229 176.369 176.600 -0.004 0.000 1.031 79 E CA -0.249 56.157 56.400 0.010 0.000 0.911 79 E CB 0.305 30.022 29.700 0.029 0.000 0.986 79 E HN 0.645 nan 8.360 nan 0.000 0.446 80 E N 5.360 125.557 120.200 -0.006 0.000 2.415 80 E HA 0.047 4.397 4.350 -0.000 0.000 0.260 80 E C -0.412 176.179 176.600 -0.015 0.000 1.016 80 E CA 0.306 56.699 56.400 -0.011 0.000 0.924 80 E CB 0.712 30.408 29.700 -0.008 0.000 0.961 80 E HN 0.324 nan 8.360 nan 0.000 0.459 81 R N 2.156 122.640 120.500 -0.027 0.000 2.725 81 R HA 0.314 4.654 4.340 -0.000 0.000 0.277 81 R C -1.012 175.264 176.300 -0.040 0.000 0.987 81 R CA -1.306 54.770 56.100 -0.039 0.000 0.901 81 R CB 1.582 31.841 30.300 -0.068 0.000 1.207 81 R HN 0.508 nan 8.270 nan 0.000 0.463 82 L N 2.282 123.482 121.223 -0.037 0.000 2.369 82 L HA 0.154 4.494 4.340 -0.000 0.000 0.279 82 L C -0.490 176.327 176.870 -0.089 0.000 1.108 82 L CA 0.181 55.000 54.840 -0.035 0.000 0.852 82 L CB 0.483 42.541 42.059 -0.001 0.000 1.169 82 L HN 0.475 nan 8.230 nan 0.000 0.452 83 D N 4.426 124.788 120.400 -0.063 0.000 2.343 83 D HA 0.218 4.858 4.640 -0.000 0.000 0.255 83 D C 0.225 176.477 176.300 -0.079 0.000 1.187 83 D CA 0.254 54.207 54.000 -0.079 0.000 0.875 83 D CB 0.576 41.356 40.800 -0.033 0.000 1.136 83 D HN 0.633 nan 8.370 nan 0.000 0.469 84 L N 3.436 124.516 121.223 -0.239 0.000 3.267 84 L HA 0.134 4.474 4.340 -0.000 0.000 0.289 84 L C 1.797 178.358 176.870 -0.516 0.000 1.260 84 L CA -0.226 54.334 54.840 -0.466 0.000 1.034 84 L CB 0.369 42.032 42.059 -0.660 0.000 1.413 84 L HN 0.459 nan 8.230 nan 0.000 0.594 85 T N -0.353 114.041 114.554 -0.265 0.000 3.077 85 T HA -0.149 4.200 4.350 -0.000 0.000 0.269 85 T C 1.708 176.306 174.700 -0.169 0.000 1.146 85 T CA 1.339 63.311 62.100 -0.214 0.000 1.091 85 T CB -0.286 68.508 68.868 -0.122 0.000 0.892 85 T HN 0.562 nan 8.240 nan 0.000 0.533 86 H N -0.740 118.244 119.070 -0.142 0.000 2.553 86 H HA 0.316 4.872 4.556 -0.000 0.000 0.265 86 H C 0.529 175.795 175.328 -0.103 0.000 0.964 86 H CA -0.293 55.692 56.048 -0.104 0.000 1.156 86 H CB -0.252 29.463 29.762 -0.078 0.000 1.411 86 H HN 0.349 nan 8.280 nan 0.000 0.558 87 L N 3.685 124.569 121.223 -0.566 0.000 2.334 87 L HA 0.324 4.664 4.340 -0.000 0.000 0.277 87 L C -2.113 174.603 176.870 -0.256 0.000 1.075 87 L CA -2.217 52.404 54.840 -0.365 0.000 0.804 87 L CB 1.452 43.239 42.059 -0.454 0.000 1.174 87 L HN -0.018 nan 8.230 nan 0.000 0.438 88 P HA 0.113 nan 4.420 nan 0.000 0.275 88 P C -0.902 176.247 177.300 -0.252 0.000 1.276 88 P CA -0.139 62.843 63.100 -0.197 0.000 0.782 88 P CB 0.630 32.339 31.700 0.015 0.000 0.851 89 T N 4.280 118.545 114.554 -0.481 0.000 2.829 89 T HA 0.599 4.949 4.350 -0.000 0.000 0.280 89 T C -0.546 173.812 174.700 -0.569 0.000 0.999 89 T CA -0.111 61.803 62.100 -0.310 0.000 0.983 89 T CB 0.665 69.407 68.868 -0.211 0.000 0.968 89 T HN 0.098 nan 8.240 nan 0.000 0.446 90 F N 1.143 121.099 119.950 0.010 0.000 2.529 90 F HA 0.647 5.174 4.527 0.000 0.000 0.320 90 F C 0.186 176.014 175.800 0.047 0.000 1.118 90 F CA -1.203 56.819 58.000 0.038 0.000 0.915 90 F CB 1.596 40.648 39.000 0.087 0.000 1.161 90 F HN 0.638 nan 8.300 nan 0.000 0.445 91 A N 5.028 127.955 122.820 0.178 0.000 2.341 91 A HA 0.723 5.043 4.320 -0.000 0.000 0.326 91 A C -0.574 177.046 177.584 0.060 0.000 1.402 91 A CA -0.408 51.687 52.037 0.096 0.000 0.957 91 A CB -0.424 18.600 19.000 0.040 0.000 1.151 91 A HN 0.727 nan 8.150 nan 0.000 0.533 92 I N 3.205 123.783 120.570 0.014 0.000 2.312 92 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 92 I C -0.524 175.278 176.117 -0.526 0.000 1.008 92 I CA -0.225 60.967 61.300 -0.180 0.000 1.226 92 I CB 1.126 39.084 38.000 -0.069 0.000 1.371 92 I HN 0.572 nan 8.210 nan 0.000 0.468 93 D N 4.278 124.306 120.400 -0.619 0.000 2.614 93 D HA 0.275 4.915 4.640 -0.000 0.000 0.264 93 D C -1.001 174.969 176.300 -0.550 0.000 1.092 93 D CA -0.596 53.045 54.000 -0.598 0.000 1.071 93 D CB 1.654 42.333 40.800 -0.202 0.000 1.443 93 D HN 0.320 nan 8.370 nan 0.000 0.528 94 D N 1.065 121.413 120.400 -0.088 0.000 2.414 94 D HA 0.055 4.695 4.640 -0.000 0.000 0.242 94 D C -0.040 176.261 176.300 0.001 0.000 1.129 94 D CA 0.409 54.477 54.000 0.114 0.000 0.885 94 D CB 0.624 41.501 40.800 0.128 0.000 1.198 94 D HN 0.162 nan 8.370 nan 0.000 0.437 95 E N 0.428 120.638 120.200 0.017 0.000 2.415 95 E HA 0.287 4.637 4.350 -0.000 0.000 0.260 95 E C 1.041 177.616 176.600 -0.041 0.000 1.016 95 E CA 0.193 56.574 56.400 -0.031 0.000 0.924 95 E CB 0.387 30.063 29.700 -0.041 0.000 0.961 95 E HN 0.715 nan 8.360 nan 0.000 0.459 96 G N 3.402 112.175 108.800 -0.046 0.000 2.201 96 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.212 96 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.212 96 G C 0.227 175.114 174.900 -0.022 0.000 0.994 96 G CA -0.062 45.016 45.100 -0.037 0.000 0.644 96 G HN 0.679 nan 8.290 nan 0.000 0.508 97 N N 0.453 119.136 118.700 -0.029 0.000 2.381 97 N HA 0.202 4.942 4.740 -0.000 0.000 0.241 97 N C 0.637 176.139 175.510 -0.013 0.000 1.279 97 N CA 0.936 53.970 53.050 -0.026 0.000 0.896 97 N CB 1.299 39.761 38.487 -0.042 0.000 1.118 97 N HN 0.520 nan 8.380 nan 0.000 0.438 98 Q N -0.731 119.073 119.800 0.007 0.000 2.215 98 Q HA 0.117 4.457 4.340 -0.000 0.000 0.257 98 Q C -1.074 174.935 176.000 0.015 0.000 0.792 98 Q CA 0.013 55.823 55.803 0.012 0.000 0.958 98 Q CB 0.752 29.507 28.738 0.028 0.000 1.158 98 Q HN 0.637 nan 8.270 nan 0.000 0.490 99 D N 2.078 122.497 120.400 0.032 0.000 2.358 99 D HA 0.283 4.923 4.640 -0.000 0.000 0.253 99 D C -2.649 173.674 176.300 0.039 0.000 1.288 99 D CA -1.283 52.739 54.000 0.036 0.000 0.950 99 D CB 1.857 42.692 40.800 0.058 0.000 1.197 99 D HN 0.065 nan 8.370 nan 0.000 0.550 100 P HA 0.112 nan 4.420 nan 0.000 0.267 100 P C 0.459 177.787 177.300 0.046 0.000 1.209 100 P CA -0.024 63.092 63.100 0.027 0.000 0.763 100 P CB 1.496 33.204 31.700 0.013 0.000 0.816 101 D N 0.840 121.273 120.400 0.055 0.000 2.338 101 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 101 D C 0.171 176.520 176.300 0.082 0.000 0.997 101 D CA 0.907 54.945 54.000 0.064 0.000 0.880 101 D CB 0.611 41.447 40.800 0.060 0.000 0.980 101 D HN 0.558 nan 8.370 nan 0.000 0.509 102 D N -0.618 119.832 120.400 0.083 0.000 2.523 102 D HA 0.571 5.211 4.640 -0.000 0.000 0.236 102 D C -1.112 175.253 176.300 0.107 0.000 1.094 102 D CA -0.864 53.199 54.000 0.105 0.000 0.942 102 D CB 2.866 43.731 40.800 0.108 0.000 1.447 102 D HN -0.101 nan 8.370 nan 0.000 0.479 103 A N 0.238 123.142 122.820 0.141 0.000 2.574 103 A HA 0.595 4.915 4.320 -0.000 0.000 0.297 103 A C -0.813 176.880 177.584 0.182 0.000 1.062 103 A CA -0.594 51.540 52.037 0.161 0.000 0.686 103 A CB 1.710 20.800 19.000 0.150 0.000 1.285 103 A HN 0.829 nan 8.150 nan 0.000 0.403 104 V N -1.087 118.939 119.914 0.187 0.000 2.960 104 V HA 1.070 5.190 4.120 -0.000 0.000 0.315 104 V C 0.138 176.343 176.094 0.185 0.000 1.087 104 V CA -0.016 62.373 62.300 0.149 0.000 0.982 104 V CB 1.389 33.287 31.823 0.124 0.000 1.039 104 V HN 2.186 nan 8.190 nan 0.000 0.437 105 G N 0.387 109.285 108.800 0.162 0.000 2.576 105 G HA2 0.770 4.730 3.960 -0.000 0.000 0.290 105 G HA3 0.770 4.730 3.960 -0.000 0.000 0.290 105 G C -1.236 173.792 174.900 0.212 0.000 1.442 105 G CA 0.022 45.228 45.100 0.176 0.000 0.792 105 G HN 2.020 nan 8.290 nan 0.000 0.491 106 V N -3.076 116.950 119.914 0.186 0.000 3.181 106 V HA 0.971 5.091 4.120 -0.000 0.000 0.308 106 V C -1.037 175.181 176.094 0.207 0.000 1.214 106 V CA -1.105 61.310 62.300 0.192 0.000 1.053 106 V CB 2.030 33.902 31.823 0.082 0.000 1.069 106 V HN 0.888 nan 8.190 nan 0.000 0.441 107 E N 0.560 120.872 120.200 0.186 0.000 2.321 107 E HA 0.324 4.674 4.350 -0.000 0.000 0.278 107 E C -1.970 174.690 176.600 0.101 0.000 0.902 107 E CA -0.652 55.849 56.400 0.168 0.000 0.758 107 E CB 2.379 32.237 29.700 0.263 0.000 1.213 107 E HN 0.893 nan 8.360 nan 0.000 0.426 108 D N 3.301 123.750 120.400 0.081 0.000 2.316 108 D HA 0.131 4.771 4.640 -0.000 0.000 0.245 108 D C 0.555 176.888 176.300 0.055 0.000 1.171 108 D CA -0.008 54.026 54.000 0.056 0.000 0.856 108 D CB 1.007 41.835 40.800 0.047 0.000 1.090 108 D HN 0.469 nan 8.370 nan 0.000 0.476 109 L N 2.976 124.224 121.223 0.041 0.000 2.558 109 L HA 0.237 4.577 4.340 -0.000 0.000 0.225 109 L C 1.348 178.236 176.870 0.030 0.000 1.128 109 L CA 0.193 55.055 54.840 0.037 0.000 0.868 109 L CB -0.510 41.563 42.059 0.023 0.000 1.006 109 L HN 0.627 nan 8.230 nan 0.000 0.454 110 G N -0.531 108.285 108.800 0.028 0.000 2.733 110 G HA2 0.075 4.035 3.960 -0.000 0.000 0.686 110 G HA3 0.075 4.035 3.960 -0.000 0.000 0.686 110 G C 0.522 175.433 174.900 0.018 0.000 1.373 110 G CA -0.455 44.659 45.100 0.023 0.000 0.838 110 G HN 0.541 nan 8.290 nan 0.000 0.588 111 G N -0.708 108.101 108.800 0.016 0.000 2.249 111 G HA2 0.369 4.329 3.960 -0.000 0.000 0.273 111 G HA3 0.369 4.329 3.960 -0.000 0.000 0.273 111 G C 2.119 177.027 174.900 0.012 0.000 1.036 111 G CA 1.026 46.133 45.100 0.013 0.000 0.824 111 G HN 3.150 nan 8.290 nan 0.000 0.504 112 G N -1.778 107.030 108.800 0.013 0.000 2.168 112 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.263 112 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.263 112 G C 0.433 175.339 174.900 0.010 0.000 0.977 112 G CA 0.638 45.745 45.100 0.011 0.000 0.659 112 G HN 1.391 nan 8.290 nan 0.000 0.533 113 L N 1.497 122.727 121.223 0.011 0.000 2.275 113 L HA 0.543 4.883 4.340 -0.000 0.000 0.288 113 L C -0.012 176.863 176.870 0.008 0.000 1.046 113 L CA -0.229 54.616 54.840 0.008 0.000 0.805 113 L CB 1.513 43.577 42.059 0.007 0.000 1.193 113 L HN 0.112 nan 8.230 nan 0.000 0.426 114 T N 4.003 118.557 114.554 0.001 0.000 2.792 114 T HA 0.331 4.681 4.350 -0.000 0.000 0.280 114 T C -0.272 174.411 174.700 -0.029 0.000 0.990 114 T CA -0.521 61.579 62.100 -0.000 0.000 0.960 114 T CB 1.470 70.341 68.868 0.005 0.000 0.939 114 T HN 0.468 nan 8.240 nan 0.000 0.439 115 R N 3.259 123.733 120.500 -0.043 0.000 2.221 115 R HA 0.485 4.825 4.340 -0.000 0.000 0.327 115 R C -0.812 175.388 176.300 -0.165 0.000 1.033 115 R CA -0.743 55.266 56.100 -0.152 0.000 0.887 115 R CB 0.269 30.453 30.300 -0.193 0.000 1.057 115 R HN 0.407 nan 8.270 nan 0.000 0.455 116 L N 6.026 127.124 121.223 -0.210 0.000 2.289 116 L HA 0.453 4.793 4.340 -0.000 0.000 0.285 116 L C -1.658 175.058 176.870 -0.256 0.000 1.049 116 L CA -0.279 54.484 54.840 -0.129 0.000 0.804 116 L CB 0.788 42.811 42.059 -0.060 0.000 1.195 116 L HN 0.616 nan 8.230 nan 0.000 0.428 117 W N 4.897 126.129 121.300 -0.113 0.000 2.475 117 W HA 0.660 5.320 4.660 -0.000 0.000 0.317 117 W C -0.899 175.389 176.519 -0.386 0.000 1.046 117 W CA -0.735 56.445 57.345 -0.275 0.000 1.215 117 W CB 2.026 31.293 29.460 -0.323 0.000 1.335 117 W HN 0.227 nan 8.180 nan 0.000 0.471 118 V N 5.173 125.010 119.914 -0.128 0.000 2.349 118 V HA 0.227 4.347 4.120 -0.000 0.000 0.284 118 V C -0.179 175.833 176.094 -0.136 0.000 1.014 118 V CA -0.976 61.260 62.300 -0.107 0.000 0.826 118 V CB 0.298 32.120 31.823 -0.001 0.000 1.009 118 V HN 0.426 nan 8.190 nan 0.000 0.431 119 H N 3.219 122.368 119.070 0.132 0.000 2.487 119 H HA 0.696 5.252 4.556 -0.000 0.000 0.333 119 H C -0.503 174.872 175.328 0.079 0.000 1.114 119 H CA -0.365 55.731 56.048 0.081 0.000 1.310 119 H CB 2.282 32.050 29.762 0.010 0.000 1.462 119 H HN 0.386 nan 8.280 nan 0.000 0.516 120 V N 1.154 121.190 119.914 0.204 0.000 2.789 120 V HA 0.390 4.510 4.120 -0.000 0.000 0.311 120 V C 0.311 176.524 176.094 0.197 0.000 1.073 120 V CA -1.300 61.121 62.300 0.201 0.000 0.921 120 V CB 1.839 33.830 31.823 0.281 0.000 1.009 120 V HN 0.995 nan 8.190 nan 0.000 0.426 121 A N 1.585 124.495 122.820 0.151 0.000 2.584 121 A HA 0.096 4.416 4.320 -0.000 0.000 0.239 121 A C 0.470 178.176 177.584 0.203 0.000 1.043 121 A CA 0.316 52.435 52.037 0.136 0.000 0.756 121 A CB -0.246 18.814 19.000 0.101 0.000 0.963 121 A HN 0.896 nan 8.150 nan 0.000 0.511 122 D N 2.967 123.499 120.400 0.220 0.000 2.801 122 D HA 0.240 4.880 4.640 -0.000 0.000 0.232 122 D C 1.171 177.670 176.300 0.331 0.000 1.128 122 D CA 0.017 54.191 54.000 0.290 0.000 1.003 122 D CB -0.231 40.698 40.800 0.215 0.000 1.110 122 D HN 0.170 nan 8.370 nan 0.000 0.477 123 V N 1.370 121.407 119.914 0.205 0.000 2.407 123 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 123 V C 2.524 178.665 176.094 0.079 0.000 1.055 123 V CA 1.783 64.139 62.300 0.093 0.000 1.049 123 V CB -0.695 31.111 31.823 -0.027 0.000 0.662 123 V HN 0.514 nan 8.190 nan 0.000 0.455 124 A N 0.078 122.979 122.820 0.134 0.000 2.125 124 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 124 A C 2.346 179.982 177.584 0.086 0.000 1.156 124 A CA 1.668 53.767 52.037 0.103 0.000 0.671 124 A CB -0.538 18.550 19.000 0.147 0.000 0.794 124 A HN 0.578 nan 8.150 nan 0.000 0.459 125 A N -0.679 122.218 122.820 0.129 0.000 2.014 125 A HA 0.152 4.472 4.320 -0.000 0.000 0.218 125 A C 1.884 179.455 177.584 -0.021 0.000 1.163 125 A CA 1.282 53.389 52.037 0.116 0.000 0.652 125 A CB -0.285 18.901 19.000 0.310 0.000 0.808 125 A HN 0.484 nan 8.150 nan 0.000 0.449 126 L N -1.202 119.968 121.223 -0.088 0.000 2.638 126 L HA 0.181 4.521 4.340 -0.000 0.000 0.232 126 L C -0.426 176.393 176.870 -0.084 0.000 1.099 126 L CA 0.023 54.761 54.840 -0.170 0.000 0.883 126 L CB 0.815 42.694 42.059 -0.300 0.000 1.136 126 L HN 0.041 nan 8.230 nan 0.000 0.492 127 V N 1.138 121.031 119.914 -0.036 0.000 2.289 127 V HA 0.488 4.608 4.120 -0.000 0.000 0.272 127 V C 0.389 176.487 176.094 0.007 0.000 1.026 127 V CA -0.741 61.551 62.300 -0.014 0.000 0.807 127 V CB 0.987 32.807 31.823 -0.005 0.000 1.044 127 V HN 0.172 nan 8.190 nan 0.000 0.443 128 A N 6.991 129.816 122.820 0.008 0.000 2.371 128 A HA 0.672 4.992 4.320 -0.000 0.000 0.257 128 A C -2.128 175.477 177.584 0.035 0.000 1.089 128 A CA -1.371 50.679 52.037 0.022 0.000 0.794 128 A CB 0.036 19.047 19.000 0.017 0.000 1.029 128 A HN 0.560 nan 8.150 nan 0.000 0.488 129 P HA 0.026 nan 4.420 nan 0.000 0.260 129 P C -0.118 177.223 177.300 0.069 0.000 1.185 129 P CA 1.291 64.436 63.100 0.075 0.000 0.763 129 P CB 0.667 32.419 31.700 0.088 0.000 0.776 130 D N 0.612 121.050 120.400 0.064 0.000 2.661 130 D HA -0.154 4.486 4.640 -0.000 0.000 0.183 130 D C 0.029 176.340 176.300 0.020 0.000 0.935 130 D CA 1.414 55.439 54.000 0.041 0.000 1.004 130 D CB -1.546 39.288 40.800 0.057 0.000 1.053 130 D HN 0.499 nan 8.370 nan 0.000 0.459 131 S N -0.736 114.976 115.700 0.020 0.000 2.572 131 S HA 0.304 4.774 4.470 -0.000 0.000 0.267 131 S C -1.414 173.184 174.600 -0.002 0.000 1.361 131 S CA -0.259 57.945 58.200 0.006 0.000 1.009 131 S CB 1.085 64.287 63.200 0.004 0.000 0.888 131 S HN -0.007 nan 8.310 nan 0.000 0.553 132 P HA -0.073 nan 4.420 nan 0.000 0.216 132 P C 1.215 178.503 177.300 -0.020 0.000 1.150 132 P CA 0.880 63.969 63.100 -0.018 0.000 0.837 132 P CB -0.113 31.576 31.700 -0.019 0.000 0.786 133 L N -0.672 120.543 121.223 -0.013 0.000 2.056 133 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 133 L C 2.194 179.072 176.870 0.012 0.000 1.078 133 L CA 1.874 56.709 54.840 -0.009 0.000 0.749 133 L CB -1.667 40.384 42.059 -0.013 0.000 0.901 133 L HN -0.047 nan 8.230 nan 0.000 0.433 134 D N -0.279 120.139 120.400 0.031 0.000 2.117 134 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 134 D C 2.218 178.538 176.300 0.035 0.000 0.987 134 D CA 1.248 55.303 54.000 0.090 0.000 0.829 134 D CB -0.016 40.837 40.800 0.089 0.000 0.961 134 D HN 0.234 nan 8.370 nan 0.000 0.460 135 L N -0.060 121.144 121.223 -0.032 0.000 2.017 135 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 135 L C 2.522 179.314 176.870 -0.130 0.000 1.073 135 L CA 1.295 56.075 54.840 -0.100 0.000 0.745 135 L CB -0.588 41.427 42.059 -0.074 0.000 0.894 135 L HN 0.081 nan 8.230 nan 0.000 0.432 136 E N 0.614 120.763 120.200 -0.085 0.000 2.110 136 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 136 E C 2.089 178.624 176.600 -0.110 0.000 0.988 136 E CA 1.459 57.807 56.400 -0.088 0.000 0.804 136 E CB -0.098 29.568 29.700 -0.057 0.000 0.745 136 E HN 0.366 nan 8.360 nan 0.000 0.458 137 A N 0.677 123.450 122.820 -0.079 0.000 1.933 137 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 137 A C 2.293 179.701 177.584 -0.293 0.000 1.175 137 A CA 1.625 53.633 52.037 -0.049 0.000 0.628 137 A CB -0.542 18.546 19.000 0.145 0.000 0.814 137 A HN 0.236 nan 8.150 nan 0.000 0.444 138 R N -0.442 119.690 120.500 -0.612 0.000 2.115 138 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 138 R C 2.171 178.152 176.300 -0.532 0.000 1.111 138 R CA 1.182 56.604 56.100 -1.130 0.000 0.976 138 R CB -0.323 29.397 30.300 -0.967 0.000 0.870 138 R HN 0.444 nan 8.270 nan 0.000 0.445 139 A N 0.632 123.261 122.820 -0.318 0.000 2.067 139 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 139 A C 1.890 179.382 177.584 -0.153 0.000 1.158 139 A CA 1.023 52.943 52.037 -0.196 0.000 0.661 139 A CB -0.153 18.764 19.000 -0.138 0.000 0.801 139 A HN 0.330 nan 8.150 nan 0.000 0.452 140 R N -2.608 117.797 120.500 -0.158 0.000 2.195 140 R HA 0.262 4.602 4.340 -0.000 0.000 0.197 140 R C 1.741 177.987 176.300 -0.089 0.000 0.990 140 R CA 0.664 56.702 56.100 -0.103 0.000 1.048 140 R CB -0.042 30.208 30.300 -0.083 0.000 0.997 140 R HN 0.587 nan 8.270 nan 0.000 0.502 141 G N 0.871 109.599 108.800 -0.120 0.000 2.396 141 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.242 141 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.242 141 G C 0.169 175.087 174.900 0.030 0.000 1.069 141 G CA 0.219 45.287 45.100 -0.052 0.000 0.633 141 G HN 0.743 nan 8.290 nan 0.000 0.517 142 A N -1.929 120.895 122.820 0.007 0.000 2.567 142 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 142 A C -0.215 177.347 177.584 -0.037 0.000 1.048 142 A CA 0.700 52.750 52.037 0.020 0.000 0.661 142 A CB 0.189 19.219 19.000 0.050 0.000 1.288 142 A HN 1.032 nan 8.150 nan 0.000 0.424 143 T N 1.080 115.589 114.554 -0.074 0.000 2.919 143 T HA 0.399 4.748 4.350 -0.000 0.000 0.302 143 T C -0.110 174.391 174.700 -0.330 0.000 1.031 143 T CA 0.375 62.318 62.100 -0.262 0.000 1.127 143 T CB 0.205 68.805 68.868 -0.447 0.000 0.952 143 T HN 0.778 nan 8.240 nan 0.000 0.540 144 L N 5.091 126.119 121.223 -0.324 0.000 2.255 144 L HA 0.364 4.704 4.340 -0.000 0.000 0.289 144 L C -1.332 175.374 176.870 -0.273 0.000 1.046 144 L CA -0.432 54.289 54.840 -0.198 0.000 0.816 144 L CB -0.171 41.827 42.059 -0.102 0.000 1.197 144 L HN 0.557 nan 8.230 nan 0.000 0.427 145 Y N 6.163 126.479 120.300 0.026 0.000 2.700 145 Y HA 0.407 4.957 4.550 -0.000 0.000 0.333 145 Y C -0.054 175.865 175.900 0.032 0.000 1.036 145 Y CA -0.462 57.654 58.100 0.027 0.000 1.287 145 Y CB 0.296 38.775 38.460 0.032 0.000 1.132 145 Y HN 0.430 nan 8.280 nan 0.000 0.510 146 L N 4.697 126.002 121.223 0.136 0.000 2.379 146 L HA 0.317 4.657 4.340 -0.000 0.000 0.269 146 L C -1.357 175.565 176.870 0.087 0.000 1.084 146 L CA -1.992 52.914 54.840 0.110 0.000 0.802 146 L CB 1.128 43.230 42.059 0.072 0.000 1.175 146 L HN 0.264 nan 8.230 nan 0.000 0.448 147 P HA -0.166 nan 4.420 nan 0.000 0.219 147 P C 0.586 177.820 177.300 -0.110 0.000 1.146 147 P CA 1.159 64.232 63.100 -0.045 0.000 0.808 147 P CB 0.114 31.736 31.700 -0.130 0.000 0.779 148 D N -1.272 119.061 120.400 -0.111 0.000 2.338 148 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 148 D C 0.924 177.208 176.300 -0.026 0.000 0.997 148 D CA 0.391 54.336 54.000 -0.092 0.000 0.880 148 D CB 0.225 40.968 40.800 -0.096 0.000 0.980 148 D HN 0.268 nan 8.370 nan 0.000 0.509 149 R N -1.289 119.212 120.500 0.001 0.000 2.733 149 R HA 0.591 4.931 4.340 -0.000 0.000 0.272 149 R C -1.660 174.653 176.300 0.021 0.000 1.029 149 R CA -0.787 55.318 56.100 0.008 0.000 0.888 149 R CB 0.911 31.203 30.300 -0.013 0.000 1.251 149 R HN -0.240 nan 8.270 nan 0.000 0.464 150 T N 1.690 116.247 114.554 0.004 0.000 2.840 150 T HA 0.509 4.859 4.350 -0.000 0.000 0.287 150 T C -0.917 173.726 174.700 -0.095 0.000 0.991 150 T CA -0.543 61.530 62.100 -0.045 0.000 0.964 150 T CB 0.929 69.808 68.868 0.018 0.000 0.954 150 T HN 0.370 nan 8.240 nan 0.000 0.438 151 I N 3.280 123.760 120.570 -0.150 0.000 2.371 151 I HA 0.430 4.600 4.170 -0.000 0.000 0.282 151 I C 1.118 177.131 176.117 -0.175 0.000 1.031 151 I CA -0.277 60.948 61.300 -0.125 0.000 1.180 151 I CB 0.965 38.907 38.000 -0.095 0.000 1.336 151 I HN 0.721 nan 8.210 nan 0.000 0.467 155 P HA 0.040 nan 4.420 nan 0.000 0.268 155 P C -0.343 176.948 177.300 -0.015 0.000 1.208 155 P CA -0.072 63.014 63.100 -0.023 0.000 0.777 155 P CB 0.505 32.191 31.700 -0.024 0.000 0.875 156 D N 1.556 121.948 120.400 -0.013 0.000 2.178 156 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 156 D C 1.360 177.663 176.300 0.006 0.000 0.980 156 D CA 1.378 55.376 54.000 -0.004 0.000 0.842 156 D CB -0.111 40.686 40.800 -0.005 0.000 0.948 156 D HN 0.489 nan 8.370 nan 0.000 0.472 157 E N 0.866 121.066 120.200 0.001 0.000 2.077 157 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 157 E C 2.172 178.779 176.600 0.011 0.000 0.989 157 E CA 0.239 56.643 56.400 0.007 0.000 0.800 157 E CB -0.330 29.367 29.700 -0.006 0.000 0.746 157 E HN 0.249 nan 8.360 nan 0.000 0.452 158 L N 0.262 121.482 121.223 -0.005 0.000 2.027 158 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 158 L C 2.078 178.966 176.870 0.031 0.000 1.074 158 L CA 0.985 55.818 54.840 -0.011 0.000 0.745 158 L CB -0.093 41.949 42.059 -0.029 0.000 0.898 158 L HN 0.048 nan 8.230 nan 0.000 0.433 159 V N 0.425 120.358 119.914 0.032 0.000 2.332 159 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 159 V C 2.826 178.960 176.094 0.066 0.000 1.055 159 V CA 1.722 64.051 62.300 0.048 0.000 1.038 159 V CB -1.093 30.750 31.823 0.035 0.000 0.651 159 V HN 0.617 nan 8.190 nan 0.000 0.450 160 A N 0.917 123.774 122.820 0.062 0.000 1.972 160 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 160 A C 2.239 179.930 177.584 0.179 0.000 1.169 160 A CA 2.068 54.149 52.037 0.074 0.000 0.635 160 A CB -0.356 18.683 19.000 0.065 0.000 0.810 160 A HN 0.755 nan 8.150 nan 0.000 0.446 161 K N -1.630 118.894 120.400 0.207 0.000 2.356 161 K HA 0.477 4.797 4.320 -0.000 0.000 0.195 161 K C 1.438 178.279 176.600 0.401 0.000 1.037 161 K CA 0.879 57.356 56.287 0.316 0.000 1.014 161 K CB 0.053 32.665 32.500 0.186 0.000 0.815 161 K HN 0.212 nan 8.250 nan 0.000 0.507 162 A N 1.608 124.608 122.820 0.301 0.000 2.167 162 A HA 0.302 4.622 4.320 -0.000 0.000 0.208 162 A C 1.212 178.909 177.584 0.188 0.000 1.198 162 A CA 0.134 52.373 52.037 0.338 0.000 0.863 162 A CB -0.135 19.043 19.000 0.297 0.000 0.904 162 A HN 0.330 nan 8.150 nan 0.000 0.484 163 G N 0.564 109.443 108.800 0.131 0.000 2.305 163 G HA2 0.385 4.345 3.960 -0.000 0.000 0.243 163 G HA3 0.385 4.345 3.960 -0.000 0.000 0.243 163 G C 0.005 174.935 174.900 0.050 0.000 1.288 163 G CA -0.203 44.940 45.100 0.073 0.000 0.901 163 G HN 0.377 nan 8.290 nan 0.000 0.516 164 L N 2.270 123.514 121.223 0.035 0.000 2.455 164 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 164 L C 1.616 178.475 176.870 -0.018 0.000 1.174 164 L CA 0.980 55.824 54.840 0.007 0.000 0.869 164 L CB 0.802 42.871 42.059 0.018 0.000 1.130 164 L HN 0.970 nan 8.230 nan 0.000 0.474 165 G N 2.626 111.402 108.800 -0.039 0.000 2.199 165 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 165 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 165 G C 0.745 175.598 174.900 -0.078 0.000 0.982 165 G CA 0.289 45.354 45.100 -0.058 0.000 0.632 165 G HN 0.558 nan 8.290 nan 0.000 0.529 166 L N 0.272 121.432 121.223 -0.105 0.000 2.291 166 L HA 0.215 4.555 4.340 -0.000 0.000 0.214 166 L C 1.258 177.869 176.870 -0.432 0.000 1.120 166 L CA 0.649 55.342 54.840 -0.245 0.000 0.799 166 L CB -0.241 41.656 42.059 -0.269 0.000 0.925 166 L HN 0.321 nan 8.230 nan 0.000 0.446 167 H N -1.507 117.546 119.070 -0.029 0.000 2.797 167 H HA 0.176 4.732 4.556 -0.000 0.000 0.372 167 H C 0.405 175.699 175.328 -0.056 0.000 1.168 167 H CA -0.730 55.298 56.048 -0.035 0.000 1.163 167 H CB 1.878 31.622 29.762 -0.030 0.000 1.778 167 H HN -0.150 nan 8.280 nan 0.000 0.551 168 E N 0.904 121.157 120.200 0.089 0.000 2.086 168 E HA -0.123 4.227 4.350 -0.000 0.000 0.205 168 E C 0.480 177.061 176.600 -0.031 0.000 1.027 168 E CA 1.745 58.149 56.400 0.008 0.000 0.830 168 E CB 0.107 29.809 29.700 0.004 0.000 0.751 168 E HN 0.390 nan 8.360 nan 0.000 0.456 169 V N -2.503 117.393 119.914 -0.030 0.000 3.007 169 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 169 V C -0.698 175.342 176.094 -0.089 0.000 1.120 169 V CA -0.507 61.741 62.300 -0.087 0.000 0.980 169 V CB 2.247 34.007 31.823 -0.106 0.000 1.033 169 V HN 0.133 nan 8.190 nan 0.000 0.429 170 S N 2.310 117.924 115.700 -0.143 0.000 2.541 170 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 170 S C -3.149 171.292 174.600 -0.266 0.000 1.133 170 S CA -1.377 56.715 58.200 -0.180 0.000 0.876 170 S CB 2.046 65.189 63.200 -0.094 0.000 1.105 170 S HN 0.916 nan 8.310 nan 0.000 0.470 171 P HA 0.602 nan 4.420 nan 0.000 0.274 171 P C -0.776 176.354 177.300 -0.283 0.000 1.237 171 P CA -0.236 62.612 63.100 -0.421 0.000 0.793 171 P CB 0.944 32.185 31.700 -0.764 0.000 0.977 172 A N 1.576 124.294 122.820 -0.170 0.000 2.601 172 A HA 0.555 4.875 4.320 -0.000 0.000 0.291 172 A C -1.805 175.784 177.584 0.008 0.000 1.075 172 A CA -0.735 51.275 52.037 -0.044 0.000 0.671 172 A CB 0.916 19.902 19.000 -0.024 0.000 1.277 172 A HN 0.547 nan 8.150 nan 0.000 0.417 173 L N 1.550 122.806 121.223 0.056 0.000 2.276 173 L HA 0.664 5.004 4.340 -0.000 0.000 0.286 173 L C -0.581 176.308 176.870 0.031 0.000 1.024 173 L CA -0.047 54.788 54.840 -0.008 0.000 0.826 173 L CB 1.238 43.215 42.059 -0.137 0.000 1.211 173 L HN 0.682 nan 8.230 nan 0.000 0.422 174 S N 5.102 120.851 115.700 0.081 0.000 2.549 174 S HA 0.694 5.164 4.470 -0.000 0.000 0.297 174 S C -0.615 174.028 174.600 0.072 0.000 1.115 174 S CA -0.538 57.768 58.200 0.177 0.000 1.059 174 S CB 1.924 65.395 63.200 0.452 0.000 1.046 174 S HN 0.418 nan 8.310 nan 0.000 0.506 175 I N 2.034 122.617 120.570 0.021 0.000 2.436 175 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 175 I C -0.317 175.700 176.117 -0.166 0.000 1.010 175 I CA -0.496 60.743 61.300 -0.103 0.000 1.098 175 I CB 1.233 39.173 38.000 -0.100 0.000 1.266 175 I HN 0.862 nan 8.210 nan 0.000 0.434 176 C N 5.739 124.832 119.300 -0.344 0.000 2.441 176 C HA 0.902 5.362 4.460 -0.000 0.000 0.318 176 C C -0.870 173.882 174.990 -0.396 0.000 1.222 176 C CA -1.011 57.627 59.018 -0.633 0.000 1.474 176 C CB 0.301 27.160 27.740 -1.468 0.000 2.125 176 C HN 0.536 nan 8.230 nan 0.000 0.479 177 L N 3.476 124.521 121.223 -0.297 0.000 2.349 177 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 177 L C -0.424 176.367 176.870 -0.132 0.000 0.996 177 L CA 0.165 54.923 54.840 -0.137 0.000 0.825 177 L CB 1.260 43.330 42.059 0.019 0.000 1.243 177 L HN 0.599 nan 8.230 nan 0.000 0.412 178 D N 5.003 125.343 120.400 -0.100 0.000 2.336 178 D HA 0.375 5.015 4.640 -0.000 0.000 0.249 178 D C -0.378 175.915 176.300 -0.011 0.000 1.213 178 D CA 0.149 54.107 54.000 -0.071 0.000 0.870 178 D CB 1.136 41.901 40.800 -0.058 0.000 1.076 178 D HN 0.303 nan 8.370 nan 0.000 0.483 179 L N 2.521 123.739 121.223 -0.008 0.000 2.322 179 L HA 0.259 4.599 4.340 -0.000 0.000 0.281 179 L C 0.379 177.253 176.870 0.007 0.000 1.014 179 L CA -1.195 53.654 54.840 0.015 0.000 0.815 179 L CB 1.466 43.533 42.059 0.013 0.000 1.247 179 L HN 0.243 nan 8.230 nan 0.000 0.421 180 D N 2.966 123.373 120.400 0.013 0.000 2.354 180 D HA 0.189 4.829 4.640 -0.000 0.000 0.247 180 D C -1.838 174.464 176.300 0.002 0.000 1.138 180 D CA -1.913 52.092 54.000 0.008 0.000 0.958 180 D CB 0.320 41.127 40.800 0.011 0.000 1.144 180 D HN 0.258 nan 8.370 nan 0.000 0.458 181 P HA -0.163 nan 4.420 nan 0.000 0.227 181 P C -0.064 177.232 177.300 -0.007 0.000 1.145 181 P CA 0.978 64.077 63.100 -0.001 0.000 0.769 181 P CB 0.230 31.931 31.700 0.001 0.000 0.769 182 D N -1.630 118.766 120.400 -0.007 0.000 2.392 182 D HA 0.124 4.764 4.640 -0.000 0.000 0.206 182 D C 1.661 177.947 176.300 -0.024 0.000 1.046 182 D CA 0.995 54.987 54.000 -0.013 0.000 0.865 182 D CB 0.569 41.364 40.800 -0.007 0.000 0.969 182 D HN 0.230 nan 8.370 nan 0.000 0.509 183 G N 1.408 110.195 108.800 -0.022 0.000 2.195 183 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.224 183 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.224 183 G C 0.135 175.018 174.900 -0.028 0.000 0.990 183 G CA -0.446 44.629 45.100 -0.041 0.000 0.639 183 G HN 0.291 nan 8.290 nan 0.000 0.514 184 N N 1.266 119.970 118.700 0.007 0.000 2.497 184 N HA 0.506 5.246 4.740 -0.000 0.000 0.268 184 N C 0.309 175.880 175.510 0.102 0.000 1.171 184 N CA 0.312 53.395 53.050 0.055 0.000 0.948 184 N CB 1.022 39.538 38.487 0.048 0.000 1.069 184 N HN 0.525 nan 8.380 nan 0.000 0.460 185 A N 2.224 125.172 122.820 0.213 0.000 2.279 185 A HA 0.116 4.436 4.320 -0.000 0.000 0.306 185 A C 0.758 178.412 177.584 0.117 0.000 1.300 185 A CA -0.500 51.663 52.037 0.210 0.000 0.925 185 A CB 0.146 19.389 19.000 0.404 0.000 1.152 185 A HN 0.780 nan 8.150 nan 0.000 0.544 186 E N 1.410 121.645 120.200 0.059 0.000 2.358 186 E HA 0.238 4.588 4.350 -0.000 0.000 0.195 186 E C 0.463 177.069 176.600 0.010 0.000 1.010 186 E CA 0.887 57.306 56.400 0.032 0.000 0.856 186 E CB 0.196 29.908 29.700 0.019 0.000 0.795 186 E HN 0.786 nan 8.360 nan 0.000 0.504 187 A N 0.341 123.159 122.820 -0.003 0.000 2.582 187 A HA 0.460 4.780 4.320 -0.000 0.000 0.297 187 A C -1.325 176.225 177.584 -0.056 0.000 1.059 187 A CA -0.669 51.352 52.037 -0.027 0.000 0.705 187 A CB 1.458 20.444 19.000 -0.024 0.000 1.279 187 A HN -0.032 nan 8.150 nan 0.000 0.404 188 V N 2.544 122.421 119.914 -0.062 0.000 2.588 188 V HA 0.638 4.758 4.120 -0.000 0.000 0.304 188 V C -1.188 174.883 176.094 -0.037 0.000 1.042 188 V CA -0.655 61.592 62.300 -0.088 0.000 0.877 188 V CB 1.998 33.739 31.823 -0.135 0.000 0.996 188 V HN 0.907 nan 8.190 nan 0.000 0.425 189 D N 2.674 122.997 120.400 -0.128 0.000 2.527 189 D HA 0.681 5.321 4.640 -0.000 0.000 0.233 189 D C -1.057 175.062 176.300 -0.302 0.000 1.063 189 D CA -0.329 53.591 54.000 -0.133 0.000 0.880 189 D CB 2.789 43.533 40.800 -0.092 0.000 1.457 189 D HN 0.253 nan 8.370 nan 0.000 0.475 190 V N 2.107 121.722 119.914 -0.500 0.000 2.482 190 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 190 V C -0.168 175.752 176.094 -0.289 0.000 1.026 190 V CA -0.668 61.299 62.300 -0.556 0.000 0.856 190 V CB 1.385 32.524 31.823 -1.140 0.000 1.001 190 V HN 0.473 nan 8.190 nan 0.000 0.424 191 L N 2.626 123.794 121.223 -0.092 0.000 2.600 191 L HA 0.756 5.096 4.340 -0.000 0.000 0.257 191 L C -1.282 175.599 176.870 0.019 0.000 1.048 191 L CA -1.163 53.674 54.840 -0.004 0.000 0.869 191 L CB 2.305 44.404 42.059 0.066 0.000 1.482 191 L HN 0.322 nan 8.230 nan 0.000 0.408 192 L N 1.776 123.006 121.223 0.011 0.000 2.331 192 L HA 0.609 4.949 4.340 -0.000 0.000 0.278 192 L C 0.342 177.201 176.870 -0.018 0.000 1.106 192 L CA -0.045 54.793 54.840 -0.004 0.000 0.824 192 L CB 1.254 43.310 42.059 -0.006 0.000 1.142 192 L HN 0.927 nan 8.230 nan 0.000 0.443 193 T N 0.541 115.063 114.554 -0.053 0.000 2.804 193 T HA 0.606 4.956 4.350 -0.000 0.000 0.290 193 T C -0.669 173.924 174.700 -0.180 0.000 1.099 193 T CA -1.046 60.982 62.100 -0.120 0.000 1.011 193 T CB 2.369 71.136 68.868 -0.168 0.000 1.291 193 T HN 0.586 nan 8.240 nan 0.000 0.523 194 R N 0.628 120.989 120.500 -0.232 0.000 2.514 194 R HA 0.664 5.004 4.340 -0.000 0.000 0.296 194 R C -1.233 174.872 176.300 -0.325 0.000 1.012 194 R CA -0.705 55.247 56.100 -0.247 0.000 0.897 194 R CB 1.678 31.866 30.300 -0.187 0.000 1.184 194 R HN 0.828 nan 8.270 nan 0.000 0.440 195 V N 0.309 120.006 119.914 -0.361 0.000 3.074 195 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 195 V C -1.035 174.872 176.094 -0.312 0.000 1.117 195 V CA -1.097 60.939 62.300 -0.440 0.000 1.014 195 V CB 2.003 33.417 31.823 -0.680 0.000 1.057 195 V HN 0.780 nan 8.190 nan 0.000 0.438 196 K N 1.855 122.070 120.400 -0.308 0.000 2.389 196 K HA 0.685 5.005 4.320 -0.000 0.000 0.261 196 K C -1.337 175.103 176.600 -0.267 0.000 1.014 196 K CA -0.523 55.623 56.287 -0.236 0.000 0.920 196 K CB 1.653 34.028 32.500 -0.208 0.000 1.149 196 K HN 0.905 nan 8.250 nan 0.000 0.444 197 V N 4.462 124.244 119.914 -0.219 0.000 2.435 197 V HA 0.361 4.481 4.120 -0.000 0.000 0.290 197 V C -1.097 174.877 176.094 -0.200 0.000 1.030 197 V CA -0.382 61.785 62.300 -0.222 0.000 0.881 197 V CB 1.634 33.372 31.823 -0.141 0.000 0.983 197 V HN 0.856 nan 8.190 nan 0.000 0.445 198 Q N 5.761 125.390 119.800 -0.284 0.000 2.282 198 Q HA 0.570 4.910 4.340 -0.000 0.000 0.260 198 Q C -0.818 175.186 176.000 0.006 0.000 0.964 198 Q CA -0.575 55.126 55.803 -0.169 0.000 0.880 198 Q CB 2.284 30.851 28.738 -0.285 0.000 1.286 198 Q HN 0.708 nan 8.270 nan 0.000 0.445 199 R N 2.051 122.575 120.500 0.040 0.000 2.368 199 R HA 0.654 4.994 4.340 -0.000 0.000 0.302 199 R C -0.661 175.693 176.300 0.090 0.000 1.002 199 R CA -0.386 55.749 56.100 0.058 0.000 0.929 199 R CB 0.949 31.251 30.300 0.003 0.000 1.073 199 R HN 0.455 nan 8.270 nan 0.000 0.464 200 L N 0.931 122.196 121.223 0.070 0.000 2.465 200 L HA 0.600 4.940 4.340 -0.000 0.000 0.257 200 L C -0.530 176.291 176.870 -0.081 0.000 0.988 200 L CA -1.131 53.724 54.840 0.025 0.000 0.827 200 L CB 2.208 44.309 42.059 0.070 0.000 1.397 200 L HN 0.692 nan 8.230 nan 0.000 0.410 201 A N 0.122 122.885 122.820 -0.094 0.000 2.271 201 A HA 0.447 4.767 4.320 -0.000 0.000 0.288 201 A C 0.184 177.689 177.584 -0.132 0.000 1.094 201 A CA -0.012 51.942 52.037 -0.138 0.000 0.828 201 A CB 0.220 19.181 19.000 -0.065 0.000 1.091 201 A HN 0.670 nan 8.150 nan 0.000 0.493 202 Y N -0.141 120.150 120.300 -0.014 0.000 2.165 202 Y HA -0.231 4.318 4.550 -0.000 0.000 0.286 202 Y C 2.648 178.516 175.900 -0.053 0.000 1.155 202 Y CA 2.261 60.349 58.100 -0.022 0.000 1.164 202 Y CB -0.163 38.291 38.460 -0.011 0.000 0.978 202 Y HN 0.627 nan 8.280 nan 0.000 0.513 203 Q N 0.164 120.025 119.800 0.101 0.000 2.167 203 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 203 Q C 1.895 177.868 176.000 -0.046 0.000 0.970 203 Q CA 1.391 57.206 55.803 0.020 0.000 0.855 203 Q CB -0.250 28.493 28.738 0.009 0.000 0.911 203 Q HN 0.670 nan 8.270 nan 0.000 0.438 204 E N 0.619 120.778 120.200 -0.068 0.000 2.107 204 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 204 E C 1.928 178.382 176.600 -0.242 0.000 0.982 204 E CA 0.762 57.088 56.400 -0.123 0.000 0.809 204 E CB -0.027 29.616 29.700 -0.095 0.000 0.756 204 E HN 0.290 nan 8.360 nan 0.000 0.459 205 A N 1.223 123.896 122.820 -0.244 0.000 1.930 205 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 205 A C 2.155 179.486 177.584 -0.421 0.000 1.175 205 A CA 1.418 53.172 52.037 -0.471 0.000 0.627 205 A CB -0.324 18.578 19.000 -0.163 0.000 0.815 205 A HN 0.091 nan 8.150 nan 0.000 0.443 206 Q N 0.129 119.822 119.800 -0.180 0.000 2.124 206 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 206 Q C 2.005 177.910 176.000 -0.158 0.000 0.977 206 Q CA 2.094 57.825 55.803 -0.119 0.000 0.850 206 Q CB -0.639 28.072 28.738 -0.045 0.000 0.901 206 Q HN 0.543 nan 8.270 nan 0.000 0.429 207 A N 0.389 123.104 122.820 -0.175 0.000 1.933 207 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 207 A C 2.077 179.538 177.584 -0.204 0.000 1.175 207 A CA 1.500 53.445 52.037 -0.153 0.000 0.628 207 A CB -0.426 18.497 19.000 -0.129 0.000 0.814 207 A HN 0.405 nan 8.150 nan 0.000 0.444 208 R N -0.735 119.543 120.500 -0.370 0.000 2.090 208 R HA 0.003 4.343 4.340 -0.000 0.000 0.228 208 R C 2.144 178.279 176.300 -0.276 0.000 1.110 208 R CA 1.059 56.904 56.100 -0.426 0.000 0.973 208 R CB -0.470 29.281 30.300 -0.915 0.000 0.869 208 R HN 0.504 nan 8.270 nan 0.000 0.440 209 L N 1.851 122.907 121.223 -0.279 0.000 2.046 209 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 209 L C 1.422 178.271 176.870 -0.034 0.000 1.077 209 L CA 1.994 56.801 54.840 -0.054 0.000 0.747 209 L CB -0.559 41.489 42.059 -0.018 0.000 0.896 209 L HN 0.225 nan 8.230 nan 0.000 0.432 210 E N -0.072 120.090 120.200 -0.063 0.000 2.265 210 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 210 E C 1.799 178.382 176.600 -0.028 0.000 0.996 210 E CA 0.958 57.334 56.400 -0.038 0.000 0.832 210 E CB -0.046 29.627 29.700 -0.045 0.000 0.756 210 E HN 0.622 nan 8.360 nan 0.000 0.491 211 A N 0.147 122.944 122.820 -0.037 0.000 2.275 211 A HA 0.312 4.632 4.320 -0.000 0.000 0.212 211 A C 1.549 179.137 177.584 0.006 0.000 1.201 211 A CA 0.589 52.615 52.037 -0.019 0.000 0.843 211 A CB -0.137 18.846 19.000 -0.028 0.000 0.873 211 A HN 0.274 nan 8.150 nan 0.000 0.492 212 G N -0.226 108.584 108.800 0.017 0.000 2.176 212 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 212 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 212 G C -0.192 174.749 174.900 0.069 0.000 1.024 212 G CA 0.379 45.503 45.100 0.040 0.000 0.755 212 G HN 0.635 nan 8.290 nan 0.000 0.507 213 E N 0.459 120.720 120.200 0.103 0.000 2.331 213 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 213 E C 0.284 177.024 176.600 0.234 0.000 1.036 213 E CA -0.508 55.993 56.400 0.168 0.000 0.864 213 E CB 0.789 30.607 29.700 0.196 0.000 1.035 213 E HN 0.303 nan 8.360 nan 0.000 0.408 214 E N 2.885 123.157 120.200 0.120 0.000 2.283 214 E HA 0.107 4.457 4.350 -0.000 0.000 0.267 214 E C -1.673 174.819 176.600 -0.180 0.000 1.045 214 E CA -1.782 54.616 56.400 -0.003 0.000 0.884 214 E CB 0.774 30.480 29.700 0.010 0.000 1.106 214 E HN 0.377 nan 8.360 nan 0.000 0.408 215 P HA 0.026 nan 4.420 nan 0.000 0.249 215 P C 0.878 177.961 177.300 -0.361 0.000 1.229 215 P CA 0.377 63.281 63.100 -0.327 0.000 0.788 215 P CB 0.060 31.622 31.700 -0.230 0.000 1.072 216 F N 0.402 120.303 119.950 -0.081 0.000 2.091 216 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 216 F C 2.566 178.346 175.800 -0.033 0.000 1.103 216 F CA 1.135 59.088 58.000 -0.080 0.000 1.228 216 F CB -1.871 37.053 39.000 -0.128 0.000 0.984 216 F HN -0.239 nan 8.300 nan 0.000 0.477 217 V N -0.366 119.628 119.914 0.134 0.000 2.287 217 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 217 V C 2.322 178.441 176.094 0.042 0.000 1.053 217 V CA 2.501 64.848 62.300 0.078 0.000 1.027 217 V CB -1.107 30.754 31.823 0.062 0.000 0.646 217 V HN 0.413 nan 8.190 nan 0.000 0.447 218 T N 0.293 114.859 114.554 0.020 0.000 2.708 218 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 218 T C 1.907 176.614 174.700 0.012 0.000 1.037 218 T CA 1.517 63.625 62.100 0.012 0.000 1.146 218 T CB -0.324 68.547 68.868 0.006 0.000 0.865 218 T HN 0.279 nan 8.240 nan 0.000 0.435 219 L N 0.792 122.018 121.223 0.006 0.000 2.042 219 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 219 L C 2.995 179.884 176.870 0.032 0.000 1.076 219 L CA 1.355 56.206 54.840 0.019 0.000 0.749 219 L CB -0.632 41.439 42.059 0.019 0.000 0.893 219 L HN 0.253 nan 8.230 nan 0.000 0.432 220 A N -0.143 122.703 122.820 0.044 0.000 1.930 220 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 220 A C 2.408 180.002 177.584 0.017 0.000 1.175 220 A CA 1.700 53.759 52.037 0.037 0.000 0.627 220 A CB -0.532 18.496 19.000 0.047 0.000 0.815 220 A HN 0.372 nan 8.150 nan 0.000 0.443 221 R N -0.135 120.374 120.500 0.016 0.000 2.070 221 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 221 R C 1.998 178.296 176.300 -0.003 0.000 1.138 221 R CA 1.762 57.865 56.100 0.006 0.000 0.936 221 R CB -0.502 29.802 30.300 0.008 0.000 0.839 221 R HN 0.489 nan 8.270 nan 0.000 0.429 222 L N 0.445 121.667 121.223 -0.001 0.000 2.042 222 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 222 L C 2.796 179.655 176.870 -0.018 0.000 1.076 222 L CA 1.447 56.281 54.840 -0.009 0.000 0.749 222 L CB -0.703 41.354 42.059 -0.002 0.000 0.893 222 L HN 0.386 nan 8.230 nan 0.000 0.432 223 A N 0.214 123.028 122.820 -0.009 0.000 1.902 223 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 223 A C 2.412 179.977 177.584 -0.032 0.000 1.181 223 A CA 1.503 53.531 52.037 -0.016 0.000 0.623 223 A CB -0.459 18.543 19.000 0.002 0.000 0.818 223 A HN 0.345 nan 8.150 nan 0.000 0.443 224 R N -0.548 119.938 120.500 -0.024 0.000 2.075 224 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 224 R C 2.496 178.770 176.300 -0.043 0.000 1.126 224 R CA 1.167 57.248 56.100 -0.031 0.000 0.963 224 R CB -0.473 29.815 30.300 -0.020 0.000 0.858 224 R HN 0.511 nan 8.270 nan 0.000 0.435 225 A N 0.683 123.478 122.820 -0.042 0.000 1.873 225 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 225 A C 2.241 179.778 177.584 -0.079 0.000 1.186 225 A CA 1.793 53.799 52.037 -0.052 0.000 0.616 225 A CB -0.734 18.241 19.000 -0.041 0.000 0.823 225 A HN 0.312 nan 8.150 nan 0.000 0.442 226 S N -0.611 115.035 115.700 -0.090 0.000 2.359 226 S HA -0.258 4.212 4.470 -0.000 0.000 0.224 226 S C 2.243 176.752 174.600 -0.151 0.000 1.035 226 S CA 1.809 59.925 58.200 -0.140 0.000 1.018 226 S CB -0.422 62.699 63.200 -0.132 0.000 0.876 226 S HN 0.582 nan 8.310 nan 0.000 0.448 227 R N 0.312 120.743 120.500 -0.115 0.000 2.091 227 R HA -0.034 4.306 4.340 -0.000 0.000 0.238 227 R C 2.707 178.941 176.300 -0.110 0.000 1.136 227 R CA 1.537 57.569 56.100 -0.113 0.000 0.959 227 R CB -0.233 30.017 30.300 -0.084 0.000 0.856 227 R HN 0.398 nan 8.270 nan 0.000 0.437 228 R N 0.140 120.586 120.500 -0.091 0.000 2.091 228 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 228 R C 2.393 178.636 176.300 -0.096 0.000 1.136 228 R CA 1.547 57.599 56.100 -0.081 0.000 0.959 228 R CB -0.335 29.928 30.300 -0.063 0.000 0.856 228 R HN 0.277 nan 8.270 nan 0.000 0.437 229 L N 0.022 121.175 121.223 -0.117 0.000 1.994 229 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 229 L C 2.616 179.394 176.870 -0.153 0.000 1.071 229 L CA 1.551 56.311 54.840 -0.134 0.000 0.745 229 L CB -0.400 41.557 42.059 -0.171 0.000 0.892 229 L HN 0.180 nan 8.230 nan 0.000 0.431 230 R N 0.015 120.403 120.500 -0.187 0.000 2.083 230 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 230 R C 2.143 178.348 176.300 -0.159 0.000 1.137 230 R CA 1.679 57.662 56.100 -0.196 0.000 0.951 230 R CB -0.377 29.789 30.300 -0.223 0.000 0.851 230 R HN 0.475 nan 8.270 nan 0.000 0.434 231 E N -0.395 119.725 120.200 -0.133 0.000 2.153 231 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 231 E C 2.041 178.580 176.600 -0.101 0.000 0.988 231 E CA 1.049 57.383 56.400 -0.111 0.000 0.811 231 E CB -0.149 29.499 29.700 -0.087 0.000 0.746 231 E HN 0.516 nan 8.360 nan 0.000 0.466 232 G N 1.252 109.995 108.800 -0.095 0.000 2.484 232 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 232 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 232 G C 1.194 176.042 174.900 -0.086 0.000 1.130 232 G CA 0.240 45.293 45.100 -0.078 0.000 0.784 232 G HN 0.073 nan 8.290 nan 0.000 0.543 233 E N 0.345 120.478 120.200 -0.111 0.000 2.403 233 E HA 0.219 4.569 4.350 -0.000 0.000 0.188 233 E C 1.619 178.114 176.600 -0.174 0.000 1.056 233 E CA 0.390 56.718 56.400 -0.120 0.000 0.892 233 E CB -0.135 29.493 29.700 -0.120 0.000 1.049 233 E HN 0.423 nan 8.360 nan 0.000 0.465 234 G N 0.830 109.524 108.800 -0.177 0.000 2.176 234 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 234 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 234 G C 0.556 175.286 174.900 -0.284 0.000 0.986 234 G CA -0.066 44.884 45.100 -0.251 0.000 0.643 234 G HN 0.522 nan 8.290 nan 0.000 0.522 235 A N 0.219 122.910 122.820 -0.214 0.000 2.511 235 A HA 0.653 4.973 4.320 -0.000 0.000 0.242 235 A C 0.393 177.908 177.584 -0.116 0.000 1.069 235 A CA 0.608 52.541 52.037 -0.174 0.000 0.763 235 A CB 0.237 19.139 19.000 -0.163 0.000 1.001 235 A HN 0.999 nan 8.150 nan 0.000 0.498 236 L N 1.538 122.716 121.223 -0.076 0.000 2.371 236 L HA 0.536 4.876 4.340 -0.000 0.000 0.262 236 L C 0.355 177.209 176.870 -0.028 0.000 1.006 236 L CA -0.638 54.179 54.840 -0.037 0.000 0.818 236 L CB 2.323 44.381 42.059 -0.002 0.000 1.354 236 L HN 0.721 nan 8.230 nan 0.000 0.415 237 S N 1.297 116.984 115.700 -0.022 0.000 2.617 237 S HA 0.645 5.115 4.470 -0.000 0.000 0.283 237 S C 0.081 174.677 174.600 -0.008 0.000 1.189 237 S CA -0.569 57.618 58.200 -0.022 0.000 1.036 237 S CB 0.933 64.119 63.200 -0.023 0.000 1.014 237 S HN 0.570 nan 8.310 nan 0.000 0.522 238 I N -0.170 120.393 120.570 -0.011 0.000 3.597 238 I HA 0.415 4.585 4.170 -0.000 0.000 0.323 238 I C -0.890 175.224 176.117 -0.005 0.000 1.535 238 I CA -0.673 60.623 61.300 -0.007 0.000 1.028 238 I CB 0.315 38.302 38.000 -0.021 0.000 1.354 238 I HN 0.327 nan 8.210 nan 0.000 0.544 239 D N 3.795 124.192 120.400 -0.005 0.000 2.536 239 D HA 0.174 4.814 4.640 -0.000 0.000 0.260 239 D C -0.138 176.176 176.300 0.024 0.000 1.270 239 D CA 0.978 54.979 54.000 0.000 0.000 0.934 239 D CB 1.365 42.159 40.800 -0.010 0.000 1.129 239 D HN 0.378 nan 8.370 nan 0.000 0.533 240 L N 3.523 124.767 121.223 0.035 0.000 2.304 240 L HA 0.375 4.715 4.340 -0.000 0.000 0.268 240 L C -2.105 174.804 176.870 0.065 0.000 1.010 240 L CA -2.192 52.691 54.840 0.071 0.000 0.813 240 L CB 1.108 43.233 42.059 0.110 0.000 1.315 240 L HN 0.073 nan 8.230 nan 0.000 0.445 241 P HA -0.005 nan 4.420 nan 0.000 0.261 241 P C -1.275 176.069 177.300 0.074 0.000 1.165 241 P CA 0.492 63.640 63.100 0.081 0.000 0.759 241 P CB 0.277 32.040 31.700 0.106 0.000 0.772 242 E N 0.624 120.859 120.200 0.058 0.000 2.320 242 E HA 0.622 4.972 4.350 -0.000 0.000 0.264 242 E C -0.729 175.907 176.600 0.060 0.000 0.923 242 E CA -1.149 55.282 56.400 0.051 0.000 0.796 242 E CB 1.967 31.685 29.700 0.029 0.000 1.262 242 E HN 0.266 nan 8.360 nan 0.000 0.428 243 V N -1.701 118.246 119.914 0.056 0.000 3.114 243 V HA 0.612 4.732 4.120 -0.000 0.000 0.308 243 V C -1.129 174.997 176.094 0.053 0.000 1.168 243 V CA -1.200 61.135 62.300 0.058 0.000 1.015 243 V CB 1.934 33.778 31.823 0.036 0.000 1.050 243 V HN 0.567 nan 8.190 nan 0.000 0.433 244 R N 1.506 122.057 120.500 0.086 0.000 2.254 244 R HA 0.733 5.073 4.340 -0.000 0.000 0.318 244 R C -1.084 175.222 176.300 0.010 0.000 1.031 244 R CA -0.536 55.623 56.100 0.098 0.000 0.905 244 R CB 1.796 32.224 30.300 0.214 0.000 1.050 244 R HN 0.674 nan 8.270 nan 0.000 0.456 245 V N 3.834 123.741 119.914 -0.013 0.000 2.347 245 V HA 0.327 4.447 4.120 -0.000 0.000 0.280 245 V C -0.003 176.057 176.094 -0.058 0.000 1.021 245 V CA -0.576 61.676 62.300 -0.081 0.000 0.847 245 V CB 1.134 32.945 31.823 -0.020 0.000 0.990 245 V HN 0.648 nan 8.190 nan 0.000 0.444 246 K N 3.080 123.405 120.400 -0.126 0.000 2.395 246 K HA 0.915 5.235 4.320 -0.000 0.000 0.247 246 K C -1.023 175.473 176.600 -0.172 0.000 0.973 246 K CA -0.504 55.735 56.287 -0.081 0.000 0.828 246 K CB 2.354 34.897 32.500 0.072 0.000 1.272 246 K HN 0.802 nan 8.250 nan 0.000 0.439 247 A N 2.653 125.359 122.820 -0.189 0.000 2.429 247 A HA 0.535 4.855 4.320 -0.000 0.000 0.289 247 A C -1.707 175.810 177.584 -0.112 0.000 1.043 247 A CA -0.638 51.260 52.037 -0.231 0.000 0.722 247 A CB 0.856 19.470 19.000 -0.643 0.000 1.243 247 A HN 0.863 nan 8.150 nan 0.000 0.415 248 D N 0.544 120.921 120.400 -0.038 0.000 3.076 248 D HA 0.393 5.033 4.640 -0.000 0.000 0.301 248 D C 0.423 176.732 176.300 0.016 0.000 1.260 248 D CA -0.304 53.692 54.000 -0.006 0.000 1.027 248 D CB 0.177 40.986 40.800 0.015 0.000 1.370 248 D HN 0.087 nan 8.370 nan 0.000 0.602 249 E N -0.664 119.549 120.200 0.022 0.000 2.268 249 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 249 E C 1.654 178.277 176.600 0.038 0.000 0.995 249 E CA 1.656 58.073 56.400 0.028 0.000 0.836 249 E CB -0.507 29.207 29.700 0.024 0.000 0.763 249 E HN 0.675 nan 8.360 nan 0.000 0.491 250 T N -2.574 112.007 114.554 0.045 0.000 3.129 250 T HA 0.374 4.724 4.350 -0.000 0.000 0.251 250 T C 0.956 175.696 174.700 0.067 0.000 1.117 250 T CA 0.469 62.603 62.100 0.056 0.000 1.034 250 T CB 0.365 69.273 68.868 0.066 0.000 0.968 250 T HN 0.223 nan 8.240 nan 0.000 0.526 251 G N 0.713 109.551 108.800 0.063 0.000 2.409 251 G HA2 0.371 4.331 3.960 -0.000 0.000 0.421 251 G HA3 0.371 4.331 3.960 -0.000 0.000 0.421 251 G C -0.360 174.583 174.900 0.071 0.000 1.259 251 G CA -0.480 44.668 45.100 0.081 0.000 1.011 251 G HN 0.938 nan 8.290 nan 0.000 0.497 252 A N -0.831 122.056 122.820 0.112 0.000 2.286 252 A HA 0.960 5.280 4.320 -0.000 0.000 0.286 252 A C 0.622 178.232 177.584 0.043 0.000 1.097 252 A CA 0.855 52.937 52.037 0.075 0.000 0.821 252 A CB 1.371 20.486 19.000 0.191 0.000 1.076 252 A HN 2.377 nan 8.150 nan 0.000 0.490 253 S N -0.447 115.108 115.700 -0.242 0.000 2.535 253 S HA 0.539 5.009 4.470 -0.000 0.000 0.272 253 S C -1.722 172.183 174.600 -1.159 0.000 1.149 253 S CA -0.441 57.309 58.200 -0.749 0.000 0.888 253 S CB 1.340 64.118 63.200 -0.703 0.000 1.110 253 S HN 1.072 nan 8.310 nan 0.000 0.463 254 V N 4.899 123.737 119.914 -1.793 0.000 2.409 254 V HA 0.564 4.684 4.120 -0.000 0.000 0.290 254 V C -1.384 174.210 176.094 -0.832 0.000 1.017 254 V CA -0.502 61.135 62.300 -1.105 0.000 0.841 254 V CB 0.685 32.008 31.823 -0.834 0.000 1.003 254 V HN 0.760 nan 8.190 nan 0.000 0.426 255 F N 6.675 126.508 119.950 -0.195 0.000 2.411 255 F HA 0.560 5.087 4.527 -0.000 0.000 0.352 255 F C -1.932 173.855 175.800 -0.021 0.000 1.123 255 F CA -3.096 54.860 58.000 -0.073 0.000 1.044 255 F CB 1.473 40.444 39.000 -0.049 0.000 1.135 255 F HN 0.271 nan 8.300 nan 0.000 0.461 256 P HA 0.091 nan 4.420 nan 0.000 0.271 256 P C -0.555 176.816 177.300 0.119 0.000 1.216 256 P CA -0.096 63.085 63.100 0.136 0.000 0.776 256 P CB 1.297 33.080 31.700 0.138 0.000 0.881 257 L N 5.363 126.637 121.223 0.085 0.000 2.281 257 L HA 0.282 4.622 4.340 -0.000 0.000 0.285 257 L C -1.822 175.069 176.870 0.037 0.000 1.074 257 L CA -1.867 53.008 54.840 0.059 0.000 0.817 257 L CB 0.559 42.642 42.059 0.041 0.000 1.168 257 L HN 0.230 nan 8.230 nan 0.000 0.434 258 P HA 0.131 nan 4.420 nan 0.000 0.271 258 P C -0.993 176.292 177.300 -0.025 0.000 1.218 258 P CA -0.266 62.843 63.100 0.014 0.000 0.780 258 P CB 0.531 32.244 31.700 0.021 0.000 0.901 259 K N 2.622 123.002 120.400 -0.033 0.000 2.800 259 K HA 0.260 4.580 4.320 -0.000 0.000 0.185 259 K C -2.084 174.478 176.600 -0.064 0.000 1.082 259 K CA -1.304 54.940 56.287 -0.072 0.000 0.978 259 K CB 0.467 32.935 32.500 -0.054 0.000 1.364 259 K HN 0.481 nan 8.250 nan 0.000 0.592 260 P HA 0.008 nan 4.420 nan 0.000 0.272 260 P C -0.052 177.220 177.300 -0.047 0.000 1.240 260 P CA -0.299 62.779 63.100 -0.036 0.000 0.791 260 P CB 0.931 32.626 31.700 -0.009 0.000 0.978 264 T N 1.215 115.693 114.554 -0.126 0.000 2.788 264 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 264 T C 1.623 176.307 174.700 -0.025 0.000 1.044 264 T CA 1.734 63.790 62.100 -0.072 0.000 1.139 264 T CB -0.063 68.771 68.868 -0.056 0.000 0.867 264 T HN 0.074 nan 8.240 nan 0.000 0.454 265 V N 1.125 121.043 119.914 0.007 0.000 2.307 265 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 265 V C 2.654 178.790 176.094 0.069 0.000 1.045 265 V CA 1.261 63.585 62.300 0.039 0.000 1.024 265 V CB -0.669 31.193 31.823 0.066 0.000 0.651 265 V HN 0.309 nan 8.190 nan 0.000 0.449 266 V N -0.064 119.922 119.914 0.119 0.000 2.343 266 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 266 V C 2.462 178.627 176.094 0.118 0.000 1.051 266 V CA 2.417 64.818 62.300 0.168 0.000 1.036 266 V CB -0.716 31.309 31.823 0.336 0.000 0.654 266 V HN 0.657 nan 8.190 nan 0.000 0.451 267 Q N 0.042 119.885 119.800 0.071 0.000 2.096 267 Q HA -0.316 4.024 4.340 -0.000 0.000 0.204 267 Q C 2.239 178.259 176.000 0.033 0.000 0.982 267 Q CA 2.310 58.139 55.803 0.043 0.000 0.850 267 Q CB -0.143 28.589 28.738 -0.011 0.000 0.901 267 Q HN 0.640 nan 8.270 nan 0.000 0.422 268 E N 0.083 120.291 120.200 0.014 0.000 2.153 268 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 268 E C 0.263 176.878 176.600 0.026 0.000 0.988 268 E CA 0.553 56.950 56.400 -0.005 0.000 0.811 268 E CB -0.188 29.499 29.700 -0.022 0.000 0.746 268 E HN 0.389 nan 8.360 nan 0.000 0.466 272 L N 1.767 123.095 121.223 0.174 0.000 2.083 272 L HA 0.052 4.392 4.340 -0.000 0.000 0.209 272 L C 2.959 180.009 176.870 0.299 0.000 1.083 272 L CA 1.740 56.722 54.840 0.236 0.000 0.752 272 L CB -0.454 41.685 42.059 0.133 0.000 0.899 272 L HN 0.408 nan 8.230 nan 0.000 0.433 273 A N 0.068 123.008 122.820 0.200 0.000 1.930 273 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 273 A C 2.373 180.039 177.584 0.136 0.000 1.175 273 A CA 1.659 53.775 52.037 0.132 0.000 0.627 273 A CB -1.088 17.968 19.000 0.094 0.000 0.815 273 A HN 0.443 nan 8.150 nan 0.000 0.443 274 G N -1.842 107.091 108.800 0.221 0.000 2.403 274 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 274 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 274 G C 1.353 176.362 174.900 0.182 0.000 1.154 274 G CA 0.948 46.082 45.100 0.056 0.000 0.784 274 G HN 0.661 nan 8.290 nan 0.000 0.538 275 W N 1.856 123.304 121.300 0.247 0.000 2.355 275 W HA 0.044 4.704 4.660 0.000 0.000 0.309 275 W C 2.452 179.045 176.519 0.122 0.000 1.206 275 W CA 1.899 59.380 57.345 0.226 0.000 1.284 275 W CB -0.504 29.061 29.460 0.174 0.000 1.145 275 W HN 0.085 nan 8.180 nan 0.000 0.502 276 G N -0.656 108.180 108.800 0.061 0.000 2.442 276 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 276 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 276 G C 1.438 176.265 174.900 -0.123 0.000 1.141 276 G CA 1.657 46.650 45.100 -0.178 0.000 0.763 276 G HN 0.308 nan 8.290 nan 0.000 0.554 277 T N 1.422 115.942 114.554 -0.057 0.000 2.777 277 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 277 T C 2.836 177.534 174.700 -0.004 0.000 1.040 277 T CA 1.462 63.531 62.100 -0.053 0.000 1.141 277 T CB -0.333 68.479 68.868 -0.095 0.000 0.868 277 T HN 0.368 nan 8.240 nan 0.000 0.444 278 A N 1.582 124.400 122.820 -0.003 0.000 1.902 278 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 278 A C 2.229 179.880 177.584 0.113 0.000 1.181 278 A CA 1.035 53.166 52.037 0.156 0.000 0.623 278 A CB -0.650 18.518 19.000 0.279 0.000 0.818 278 A HN 0.381 nan 8.150 nan 0.000 0.443 279 I N -1.387 119.117 120.570 -0.110 0.000 2.127 279 I HA -0.239 3.931 4.170 -0.000 0.000 0.241 279 I C 2.373 178.445 176.117 -0.074 0.000 1.075 279 I CA 1.657 62.837 61.300 -0.200 0.000 1.334 279 I CB -1.482 36.236 38.000 -0.469 0.000 1.040 279 I HN 0.452 nan 8.210 nan 0.000 0.405 280 F N 1.763 121.605 119.950 -0.179 0.000 2.095 280 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 280 F C 2.520 178.228 175.800 -0.153 0.000 1.104 280 F CA 1.907 59.816 58.000 -0.151 0.000 1.232 280 F CB -0.297 38.622 39.000 -0.134 0.000 0.987 280 F HN 0.056 nan 8.300 nan 0.000 0.475 281 A N -0.263 122.583 122.820 0.043 0.000 1.858 281 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 281 A C 2.080 179.641 177.584 -0.038 0.000 1.190 281 A CA 1.963 53.990 52.037 -0.017 0.000 0.617 281 A CB -1.316 17.745 19.000 0.103 0.000 0.827 281 A HN 0.475 nan 8.150 nan 0.000 0.443 282 D N 0.109 120.543 120.400 0.057 0.000 2.123 282 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 282 D C 1.293 177.515 176.300 -0.129 0.000 0.992 282 D CA 1.632 55.611 54.000 -0.035 0.000 0.833 282 D CB -0.341 40.425 40.800 -0.057 0.000 0.954 282 D HN 0.394 nan 8.370 nan 0.000 0.455 283 D N -0.171 120.119 120.400 -0.183 0.000 2.144 283 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 283 D C 1.014 177.151 176.300 -0.272 0.000 0.984 283 D CA 0.760 54.631 54.000 -0.215 0.000 0.834 283 D CB -0.251 40.408 40.800 -0.235 0.000 0.955 283 D HN 0.356 nan 8.370 nan 0.000 0.465 284 N N 0.859 119.308 118.700 -0.419 0.000 2.251 284 N HA -0.000 4.740 4.740 -0.000 0.000 0.217 284 N C -0.346 174.958 175.510 -0.343 0.000 1.124 284 N CA 0.033 52.793 53.050 -0.484 0.000 0.843 284 N CB 0.957 38.837 38.487 -1.011 0.000 1.024 284 N HN -0.033 nan 8.380 nan 0.000 0.501 285 E N 0.529 120.602 120.200 -0.211 0.000 2.328 285 E HA -0.181 4.169 4.350 -0.000 0.000 0.233 285 E C -0.660 175.880 176.600 -0.099 0.000 1.219 285 E CA 0.463 56.794 56.400 -0.116 0.000 0.717 285 E CB -1.459 28.191 29.700 -0.084 0.000 1.210 285 E HN 0.495 nan 8.360 nan 0.000 0.381 286 I N 0.756 121.250 120.570 -0.127 0.000 2.325 286 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 286 I C -1.915 174.230 176.117 0.047 0.000 1.019 286 I CA -2.184 59.063 61.300 -0.088 0.000 1.302 286 I CB 0.901 38.795 38.000 -0.177 0.000 1.401 286 I HN -0.127 nan 8.210 nan 0.000 0.485 287 P HA 0.298 nan 4.420 nan 0.000 0.271 287 P C -0.850 176.479 177.300 0.047 0.000 1.220 287 P CA 0.175 63.347 63.100 0.120 0.000 0.768 287 P CB 0.611 32.351 31.700 0.067 0.000 0.848 288 L N 4.840 126.081 121.223 0.030 0.000 2.409 288 L HA 0.465 4.805 4.340 -0.000 0.000 0.255 288 L C -2.279 174.470 176.870 -0.200 0.000 1.027 288 L CA -2.413 52.254 54.840 -0.288 0.000 0.834 288 L CB 2.982 44.573 42.059 -0.779 0.000 1.426 288 L HN 0.172 nan 8.230 nan 0.000 0.411 289 P HA 0.105 nan 4.420 nan 0.000 0.226 289 P C -0.467 176.920 177.300 0.145 0.000 1.783 289 P CA -0.200 62.921 63.100 0.034 0.000 0.980 289 P CB -0.689 30.972 31.700 -0.064 0.000 1.967 290 F N 1.572 121.627 119.950 0.174 0.000 2.629 290 F HA 0.113 4.640 4.527 -0.000 0.000 0.377 290 F C 1.518 177.468 175.800 0.249 0.000 1.101 290 F CA 0.084 58.187 58.000 0.173 0.000 1.301 290 F CB 0.234 39.303 39.000 0.114 0.000 1.062 290 F HN 0.216 nan 8.300 nan 0.000 0.583 291 A N 2.970 126.029 122.820 0.397 0.000 2.276 291 A HA 0.619 4.939 4.320 -0.000 0.000 0.300 291 A C 0.090 177.822 177.584 0.247 0.000 1.235 291 A CA -0.247 51.902 52.037 0.188 0.000 0.867 291 A CB 0.099 19.279 19.000 0.300 0.000 1.137 291 A HN 0.776 nan 8.150 nan 0.000 0.527 292 T N 0.207 114.770 114.554 0.016 0.000 2.930 292 T HA 0.757 5.107 4.350 -0.000 0.000 0.290 292 T C -0.696 173.833 174.700 -0.286 0.000 1.052 292 T CA -0.725 61.357 62.100 -0.030 0.000 1.017 292 T CB 1.762 70.635 68.868 0.009 0.000 1.137 292 T HN 0.772 nan 8.240 nan 0.000 0.511 293 Q N 0.812 120.396 119.800 -0.361 0.000 2.313 293 Q HA 0.336 4.676 4.340 -0.000 0.000 0.260 293 Q C -1.982 173.912 176.000 -0.176 0.000 0.972 293 Q CA -0.551 55.011 55.803 -0.402 0.000 0.886 293 Q CB 2.365 30.603 28.738 -0.832 0.000 1.373 293 Q HN 0.879 nan 8.270 nan 0.000 0.416 294 D N 1.014 121.361 120.400 -0.088 0.000 2.383 294 D HA 0.204 4.844 4.640 -0.000 0.000 0.248 294 D C -0.763 175.528 176.300 -0.016 0.000 1.170 294 D CA 0.086 54.111 54.000 0.042 0.000 0.977 294 D CB 0.620 41.440 40.800 0.033 0.000 1.120 294 D HN 0.315 nan 8.370 nan 0.000 0.481 295 Y N 0.597 120.777 120.300 -0.201 0.000 2.652 295 Y HA 0.153 4.703 4.550 -0.000 0.000 0.344 295 Y C -1.325 174.352 175.900 -0.373 0.000 1.254 295 Y CA -1.487 56.347 58.100 -0.444 0.000 1.480 295 Y CB -0.487 37.850 38.460 -0.205 0.000 1.345 295 Y HN 0.301 nan 8.280 nan 0.000 0.617 296 P HA 0.058 nan 4.420 nan 0.000 0.274 296 P C 0.301 177.561 177.300 -0.066 0.000 1.256 296 P CA -0.151 62.847 63.100 -0.170 0.000 0.795 296 P CB 0.830 32.423 31.700 -0.177 0.000 1.038 297 T N -0.506 114.019 114.554 -0.049 0.000 2.759 297 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 297 T C 1.002 175.696 174.700 -0.011 0.000 1.042 297 T CA 1.354 63.439 62.100 -0.025 0.000 1.140 297 T CB -0.306 68.550 68.868 -0.021 0.000 0.864 297 T HN 0.624 nan 8.240 nan 0.000 0.455 298 R N -0.112 120.383 120.500 -0.007 0.000 2.712 298 R HA 0.487 4.827 4.340 -0.000 0.000 0.272 298 R C -1.874 174.437 176.300 0.019 0.000 1.032 298 R CA -0.996 55.111 56.100 0.011 0.000 0.874 298 R CB 1.300 31.607 30.300 0.012 0.000 1.256 298 R HN 0.047 nan 8.270 nan 0.000 0.468 299 E N 0.907 121.128 120.200 0.036 0.000 2.343 299 E HA 0.389 4.739 4.350 -0.000 0.000 0.269 299 E C -0.437 176.185 176.600 0.037 0.000 1.047 299 E CA -0.863 55.565 56.400 0.047 0.000 0.874 299 E CB 1.874 31.610 29.700 0.059 0.000 1.033 299 E HN 0.424 nan 8.360 nan 0.000 0.409 300 V N -1.443 118.494 119.914 0.038 0.000 2.668 300 V HA 0.759 4.879 4.120 -0.000 0.000 0.304 300 V C -0.683 175.430 176.094 0.032 0.000 1.071 300 V CA -1.048 61.272 62.300 0.034 0.000 0.894 300 V CB 1.506 33.350 31.823 0.036 0.000 1.008 300 V HN 0.704 nan 8.190 nan 0.000 0.425 301 A N 3.260 126.097 122.820 0.028 0.000 2.276 301 A HA 1.049 5.369 4.320 -0.000 0.000 0.316 301 A C 0.572 178.170 177.584 0.023 0.000 1.229 301 A CA 0.057 52.108 52.037 0.023 0.000 0.851 301 A CB 0.649 19.660 19.000 0.019 0.000 1.165 301 A HN 2.806 nan 8.150 nan 0.000 0.513 302 G N 1.831 110.644 108.800 0.020 0.000 2.326 302 G HA2 0.359 4.319 3.960 -0.000 0.000 0.478 302 G HA3 0.359 4.319 3.960 -0.000 0.000 0.478 302 G C -0.658 174.256 174.900 0.023 0.000 1.551 302 G CA 0.105 45.218 45.100 0.021 0.000 0.946 302 G HN 1.159 nan 8.290 nan 0.000 0.671 303 D N -1.142 119.270 120.400 0.020 0.000 2.469 303 D HA 0.253 4.893 4.640 -0.000 0.000 0.215 303 D C 1.419 177.736 176.300 0.028 0.000 1.154 303 D CA 0.852 54.864 54.000 0.020 0.000 0.832 303 D CB 0.378 41.183 40.800 0.009 0.000 1.008 303 D HN 0.745 nan 8.370 nan 0.000 0.506 304 T N -2.150 112.423 114.554 0.033 0.000 2.732 304 T HA 0.215 4.565 4.350 -0.000 0.000 0.287 304 T C 1.577 176.313 174.700 0.059 0.000 0.993 304 T CA -0.713 61.409 62.100 0.037 0.000 0.966 304 T CB 0.710 69.595 68.868 0.029 0.000 1.047 304 T HN 0.008 nan 8.240 nan 0.000 0.527 305 L N 0.455 121.713 121.223 0.059 0.000 2.005 305 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 305 L C -0.362 176.585 176.870 0.127 0.000 1.072 305 L CA 1.158 56.054 54.840 0.093 0.000 0.744 305 L CB -1.743 40.351 42.059 0.059 0.000 0.895 305 L HN 0.510 nan 8.230 nan 0.000 0.433 306 P HA -0.110 nan 4.420 nan 0.000 0.218 306 P C 0.564 177.947 177.300 0.138 0.000 1.148 306 P CA 1.165 64.306 63.100 0.068 0.000 0.822 306 P CB -0.003 31.701 31.700 0.006 0.000 0.784 310 A N 1.895 124.893 122.820 0.296 0.000 2.125 310 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 310 A C 1.853 179.468 177.584 0.051 0.000 1.156 310 A CA 1.984 54.124 52.037 0.172 0.000 0.671 310 A CB -0.813 18.280 19.000 0.156 0.000 0.794 310 A HN 0.355 nan 8.150 nan 0.000 0.459 311 R N -0.515 120.006 120.500 0.034 0.000 2.075 311 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 311 R C 2.344 178.616 176.300 -0.046 0.000 1.114 311 R CA 1.098 57.199 56.100 0.001 0.000 0.972 311 R CB -0.287 30.022 30.300 0.016 0.000 0.869 311 R HN 0.470 nan 8.270 nan 0.000 0.437 312 R N 0.824 121.269 120.500 -0.093 0.000 2.159 312 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 312 R C 1.275 177.483 176.300 -0.152 0.000 1.131 312 R CA 1.544 57.560 56.100 -0.141 0.000 0.982 312 R CB 0.099 30.261 30.300 -0.229 0.000 0.868 312 R HN 0.163 nan 8.270 nan 0.000 0.453 313 K N -0.686 119.622 120.400 -0.154 0.000 2.459 313 K HA -0.000 4.320 4.320 -0.000 0.000 0.193 313 K C 1.154 177.713 176.600 -0.068 0.000 1.030 313 K CA 1.267 57.483 56.287 -0.119 0.000 1.026 313 K CB 0.593 33.032 32.500 -0.101 0.000 0.809 313 K HN 0.312 nan 8.250 nan 0.000 0.504 314 T N -2.126 112.393 114.554 -0.058 0.000 3.044 314 T HA 0.241 4.591 4.350 -0.000 0.000 0.260 314 T C 0.502 175.162 174.700 -0.066 0.000 1.019 314 T CA -0.415 61.656 62.100 -0.048 0.000 0.921 314 T CB -0.017 68.832 68.868 -0.031 0.000 1.053 314 T HN -0.080 nan 8.240 nan 0.000 0.533 315 L N 2.783 123.964 121.223 -0.070 0.000 2.433 315 L HA 0.537 4.877 4.340 -0.000 0.000 0.275 315 L C 0.957 177.778 176.870 -0.082 0.000 1.128 315 L CA -0.847 53.947 54.840 -0.078 0.000 0.875 315 L CB 0.094 42.118 42.059 -0.058 0.000 1.171 315 L HN 0.251 nan 8.230 nan 0.000 0.463 316 A N 5.094 127.853 122.820 -0.102 0.000 2.531 316 A HA 0.193 4.513 4.320 -0.000 0.000 0.236 316 A C 0.424 177.953 177.584 -0.092 0.000 1.062 316 A CA -0.253 51.729 52.037 -0.090 0.000 0.760 316 A CB 0.068 19.009 19.000 -0.097 0.000 0.995 316 A HN 0.782 nan 8.150 nan 0.000 0.501 317 R N 1.208 121.665 120.500 -0.072 0.000 2.585 317 R HA 0.190 4.530 4.340 -0.000 0.000 0.275 317 R C 0.600 176.833 176.300 -0.111 0.000 1.018 317 R CA 0.822 56.881 56.100 -0.068 0.000 1.072 317 R CB 0.005 30.281 30.300 -0.039 0.000 0.953 317 R HN 0.809 nan 8.270 nan 0.000 0.419 318 T N 1.408 115.882 114.554 -0.133 0.000 2.853 318 T HA 0.161 4.511 4.350 -0.000 0.000 0.298 318 T C 0.139 174.658 174.700 -0.302 0.000 0.978 318 T CA -0.684 61.270 62.100 -0.243 0.000 1.152 318 T CB 0.495 69.220 68.868 -0.238 0.000 0.914 318 T HN 0.475 nan 8.240 nan 0.000 0.539 319 R N 2.470 122.799 120.500 -0.285 0.000 2.295 319 R HA 0.433 4.773 4.340 -0.000 0.000 0.324 319 R C -1.016 175.169 176.300 -0.192 0.000 0.968 319 R CA -0.650 55.344 56.100 -0.177 0.000 0.837 319 R CB 0.886 31.149 30.300 -0.062 0.000 1.133 319 R HN 0.518 nan 8.270 nan 0.000 0.450 320 F N 2.981 122.991 119.950 0.099 0.000 2.411 320 F HA 0.218 4.745 4.527 -0.000 0.000 0.355 320 F C 0.554 176.424 175.800 0.117 0.000 1.117 320 F CA -0.160 57.911 58.000 0.119 0.000 1.139 320 F CB 1.265 40.327 39.000 0.102 0.000 1.120 320 F HN 0.394 nan 8.300 nan 0.000 0.493 321 Q N 4.457 124.452 119.800 0.325 0.000 2.377 321 Q HA 0.394 4.734 4.340 -0.000 0.000 0.279 321 Q C -2.660 173.525 176.000 0.309 0.000 1.049 321 Q CA -2.117 53.832 55.803 0.243 0.000 0.825 321 Q CB 2.499 31.331 28.738 0.156 0.000 1.401 321 Q HN 0.210 nan 8.270 nan 0.000 0.404 322 P HA -0.159 nan 4.420 nan 0.000 0.228 322 P C -0.109 177.381 177.300 0.316 0.000 1.151 322 P CA 1.029 64.287 63.100 0.264 0.000 0.770 322 P CB 0.258 32.040 31.700 0.137 0.000 0.786 323 S N -1.541 114.245 115.700 0.142 0.000 2.513 323 S HA 0.589 5.059 4.470 -0.000 0.000 0.299 323 S C -3.067 171.236 174.600 -0.495 0.000 1.087 323 S CA -2.335 55.773 58.200 -0.152 0.000 1.012 323 S CB 1.254 64.397 63.200 -0.095 0.000 1.044 323 S HN -0.240 nan 8.310 nan 0.000 0.485 324 P HA 0.237 nan 4.420 nan 0.000 0.256 324 P C -0.043 177.062 177.300 -0.326 0.000 1.173 324 P CA 0.720 63.253 63.100 -0.946 0.000 0.768 324 P CB -0.040 31.240 31.700 -0.699 0.000 0.758 325 G N 3.950 112.668 108.800 -0.137 0.000 2.638 325 G HA2 0.556 4.515 3.960 -0.000 0.000 0.302 325 G HA3 0.556 4.515 3.960 -0.000 0.000 0.302 325 G C -3.191 171.756 174.900 0.079 0.000 1.365 325 G CA -1.726 43.369 45.100 -0.008 0.000 0.987 325 G HN 0.117 nan 8.290 nan 0.000 0.495 326 P HA 0.079 nan 4.420 nan 0.000 0.268 326 P C -0.622 176.761 177.300 0.139 0.000 1.208 326 P CA 0.084 63.258 63.100 0.123 0.000 0.777 326 P CB 0.475 32.239 31.700 0.107 0.000 0.875 327 H N 2.492 121.602 119.070 0.066 0.000 2.866 327 H HA 0.085 4.641 4.556 -0.000 0.000 0.287 327 H C 1.076 176.392 175.328 -0.020 0.000 1.106 327 H CA -0.150 55.921 56.048 0.038 0.000 1.396 327 H CB 0.099 29.885 29.762 0.041 0.000 1.469 327 H HN 0.575 nan 8.280 nan 0.000 0.500 328 H N 3.419 122.441 119.070 -0.080 0.000 2.289 328 H HA -0.109 4.447 4.556 -0.000 0.000 0.296 328 H C 0.787 176.079 175.328 -0.061 0.000 1.091 328 H CA 1.687 57.620 56.048 -0.191 0.000 1.274 328 H CB -0.026 29.489 29.762 -0.413 0.000 1.364 328 H HN 0.723 nan 8.280 nan 0.000 0.490 332 L N 0.646 121.833 121.223 -0.059 0.000 2.333 332 L HA 0.578 4.918 4.340 -0.000 0.000 0.269 332 L C 0.148 177.095 176.870 0.128 0.000 1.010 332 L CA -0.513 54.346 54.840 0.031 0.000 0.818 332 L CB 1.663 43.772 42.059 0.084 0.000 1.306 332 L HN -0.056 nan 8.230 nan 0.000 0.430 333 D N 1.237 121.744 120.400 0.179 0.000 2.333 333 D HA 0.165 4.805 4.640 -0.000 0.000 0.208 333 D C 0.328 176.737 176.300 0.181 0.000 0.984 333 D CA 0.738 54.831 54.000 0.154 0.000 0.873 333 D CB 0.921 41.800 40.800 0.131 0.000 0.935 333 D HN 0.427 nan 8.370 nan 0.000 0.521 334 L N -3.107 118.285 121.223 0.281 0.000 2.518 334 L HA 0.693 5.033 4.340 -0.000 0.000 0.257 334 L C -1.690 175.486 176.870 0.510 0.000 0.980 334 L CA -1.196 53.832 54.840 0.314 0.000 0.837 334 L CB 2.386 44.566 42.059 0.201 0.000 1.410 334 L HN -0.220 nan 8.230 nan 0.000 0.410 335 Y N 1.347 121.864 120.300 0.363 0.000 2.573 335 Y HA 0.768 5.318 4.550 -0.000 0.000 0.328 335 Y C -1.837 174.245 175.900 0.303 0.000 1.170 335 Y CA -0.220 58.068 58.100 0.313 0.000 1.078 335 Y CB 2.022 40.613 38.460 0.219 0.000 1.341 335 Y HN 1.121 nan 8.280 nan 0.000 0.459 336 A N 4.615 127.048 122.820 -0.645 0.000 2.437 336 A HA 0.529 4.849 4.320 -0.000 0.000 0.293 336 A C -1.783 175.360 177.584 -0.735 0.000 1.038 336 A CA -0.863 50.861 52.037 -0.521 0.000 0.708 336 A CB 1.375 20.135 19.000 -0.399 0.000 1.251 336 A HN 0.669 nan 8.150 nan 0.000 0.409 337 Q N 1.295 120.849 119.800 -0.410 0.000 2.307 337 Q HA 0.444 4.784 4.340 -0.000 0.000 0.261 337 Q C 0.613 176.553 176.000 -0.100 0.000 1.051 337 Q CA 0.367 56.058 55.803 -0.187 0.000 0.911 337 Q CB 1.135 29.914 28.738 0.069 0.000 1.227 337 Q HN 0.864 nan 8.270 nan 0.000 0.418 338 A N 1.960 124.748 122.820 -0.053 0.000 2.603 338 A HA 0.081 4.401 4.320 -0.000 0.000 0.277 338 A C 1.134 178.806 177.584 0.147 0.000 1.158 338 A CA -0.211 51.855 52.037 0.049 0.000 0.962 338 A CB 0.424 19.435 19.000 0.018 0.000 1.189 338 A HN 0.672 nan 8.150 nan 0.000 0.552 339 T N -3.089 111.523 114.554 0.096 0.000 3.105 339 T HA 0.243 4.593 4.350 -0.000 0.000 0.253 339 T C 0.479 175.221 174.700 0.070 0.000 1.047 339 T CA 0.525 62.692 62.100 0.111 0.000 0.944 339 T CB 0.038 68.975 68.868 0.114 0.000 1.016 339 T HN 0.054 nan 8.240 nan 0.000 0.544 340 S N 3.190 118.904 115.700 0.023 0.000 2.474 340 S HA 0.348 4.818 4.470 -0.000 0.000 0.224 340 S C -2.540 172.023 174.600 -0.060 0.000 1.209 340 S CA -0.980 57.226 58.200 0.010 0.000 1.212 340 S CB 0.808 64.039 63.200 0.052 0.000 1.137 340 S HN 0.410 nan 8.310 nan 0.000 0.446 344 R N 0.754 121.279 120.500 0.043 0.000 2.502 344 R HA 0.248 4.588 4.340 -0.000 0.000 0.300 344 R C -0.616 175.690 176.300 0.010 0.000 0.984 344 R CA -0.772 55.351 56.100 0.038 0.000 0.882 344 R CB 1.430 31.747 30.300 0.028 0.000 1.180 344 R HN -0.064 nan 8.270 nan 0.000 0.444 345 Y N 2.702 122.958 120.300 -0.074 0.000 2.165 345 Y HA -0.245 4.305 4.550 -0.000 0.000 0.286 345 Y C 1.512 177.349 175.900 -0.106 0.000 1.155 345 Y CA 1.890 59.938 58.100 -0.086 0.000 1.164 345 Y CB 0.145 38.554 38.460 -0.084 0.000 0.978 345 Y HN 0.558 nan 8.280 nan 0.000 0.513 346 L N 0.356 121.466 121.223 -0.188 0.000 2.079 346 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 346 L C 1.863 178.570 176.870 -0.271 0.000 1.081 346 L CA 2.047 56.706 54.840 -0.301 0.000 0.752 346 L CB -1.009 40.797 42.059 -0.421 0.000 0.896 346 L HN 0.191 nan 8.230 nan 0.000 0.433 347 D N -1.161 119.117 120.400 -0.202 0.000 2.144 347 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 347 D C 2.106 178.279 176.300 -0.212 0.000 0.978 347 D CA 0.714 54.621 54.000 -0.154 0.000 0.833 347 D CB -0.192 40.536 40.800 -0.120 0.000 0.961 347 D HN 0.152 nan 8.370 nan 0.000 0.470 348 L N 0.355 121.400 121.223 -0.297 0.000 2.093 348 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 348 L C 1.854 178.567 176.870 -0.261 0.000 1.085 348 L CA 1.293 55.949 54.840 -0.307 0.000 0.755 348 L CB -0.290 41.581 42.059 -0.312 0.000 0.904 348 L HN -0.065 nan 8.230 nan 0.000 0.435 349 V N -1.346 118.336 119.914 -0.386 0.000 2.427 349 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 349 V C 2.530 178.552 176.094 -0.121 0.000 1.051 349 V CA 1.449 63.582 62.300 -0.279 0.000 1.048 349 V CB -0.434 31.200 31.823 -0.316 0.000 0.666 349 V HN 0.329 nan 8.190 nan 0.000 0.456 350 V N -0.307 119.546 119.914 -0.102 0.000 2.287 350 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 350 V C 2.343 178.461 176.094 0.039 0.000 1.053 350 V CA 2.263 64.532 62.300 -0.051 0.000 1.027 350 V CB -0.859 30.940 31.823 -0.040 0.000 0.646 350 V HN 0.645 nan 8.190 nan 0.000 0.447 351 H N -0.342 118.675 119.070 -0.089 0.000 2.353 351 H HA -0.181 4.375 4.556 -0.000 0.000 0.300 351 H C 2.504 177.821 175.328 -0.019 0.000 1.090 351 H CA 1.792 57.815 56.048 -0.043 0.000 1.327 351 H CB 0.092 29.834 29.762 -0.032 0.000 1.383 351 H HN 0.544 nan 8.280 nan 0.000 0.508 352 Q N 0.350 120.204 119.800 0.090 0.000 2.124 352 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 352 Q C 2.400 178.432 176.000 0.054 0.000 0.977 352 Q CA 0.965 56.801 55.803 0.054 0.000 0.850 352 Q CB 0.084 28.832 28.738 0.018 0.000 0.901 352 Q HN 0.465 nan 8.270 nan 0.000 0.429 353 Q N 0.515 120.337 119.800 0.037 0.000 2.046 353 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 353 Q C 2.300 178.359 176.000 0.098 0.000 0.975 353 Q CA 1.096 56.928 55.803 0.048 0.000 0.836 353 Q CB -0.271 28.470 28.738 0.004 0.000 0.896 353 Q HN 0.429 nan 8.270 nan 0.000 0.428 354 L N 0.204 121.474 121.223 0.078 0.000 2.012 354 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 354 L C 2.641 179.612 176.870 0.168 0.000 1.073 354 L CA 1.338 56.260 54.840 0.136 0.000 0.748 354 L CB -0.422 41.636 42.059 -0.001 0.000 0.891 354 L HN 0.174 nan 8.230 nan 0.000 0.431 355 R N -0.247 120.307 120.500 0.089 0.000 2.120 355 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 355 R C 2.400 178.756 176.300 0.093 0.000 1.123 355 R CA 1.120 57.268 56.100 0.080 0.000 0.975 355 R CB -0.395 29.944 30.300 0.065 0.000 0.866 355 R HN 0.377 nan 8.270 nan 0.000 0.446 356 A N 0.821 123.708 122.820 0.112 0.000 1.898 356 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 356 A C 1.904 179.570 177.584 0.136 0.000 1.181 356 A CA 1.040 53.140 52.037 0.104 0.000 0.620 356 A CB -0.575 18.487 19.000 0.102 0.000 0.819 356 A HN 0.361 nan 8.150 nan 0.000 0.442 357 F N 0.386 120.367 119.950 0.052 0.000 2.134 357 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 357 F C 1.642 177.484 175.800 0.069 0.000 1.097 357 F CA 1.421 59.458 58.000 0.061 0.000 1.264 357 F CB -0.309 38.747 39.000 0.093 0.000 1.001 357 F HN 0.120 nan 8.300 nan 0.000 0.479 358 L N 0.302 121.513 121.223 -0.020 0.000 2.201 358 L HA -0.009 4.331 4.340 -0.000 0.000 0.212 358 L C 2.482 179.279 176.870 -0.122 0.000 1.105 358 L CA 1.596 56.364 54.840 -0.120 0.000 0.775 358 L CB -1.599 40.475 42.059 0.025 0.000 0.913 358 L HN 0.267 nan 8.230 nan 0.000 0.440 359 A N -1.744 121.037 122.820 -0.065 0.000 2.195 359 A HA 0.456 4.776 4.320 -0.000 0.000 0.210 359 A C 1.932 179.477 177.584 -0.064 0.000 1.165 359 A CA 0.797 52.806 52.037 -0.046 0.000 0.806 359 A CB -0.271 18.726 19.000 -0.005 0.000 0.847 359 A HN 0.470 nan 8.150 nan 0.000 0.482 360 G N -0.694 108.043 108.800 -0.104 0.000 2.234 360 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.235 360 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.235 360 G C 0.605 175.490 174.900 -0.025 0.000 0.997 360 G CA 0.197 45.242 45.100 -0.091 0.000 0.623 360 G HN 0.598 nan 8.290 nan 0.000 0.514 361 R N 0.940 121.441 120.500 0.001 0.000 2.971 361 R HA 0.303 4.643 4.340 -0.000 0.000 0.278 361 R C -0.528 175.805 176.300 0.055 0.000 1.022 361 R CA 0.761 56.877 56.100 0.027 0.000 1.187 361 R CB 0.131 30.451 30.300 0.034 0.000 1.126 361 R HN 0.301 nan 8.270 nan 0.000 0.510 362 D N 1.585 122.018 120.400 0.055 0.000 2.233 362 D HA 0.255 4.895 4.640 -0.000 0.000 0.240 362 D C -2.022 174.319 176.300 0.069 0.000 1.074 362 D CA -1.347 52.693 54.000 0.067 0.000 0.838 362 D CB 1.322 42.151 40.800 0.048 0.000 1.124 362 D HN 0.201 nan 8.370 nan 0.000 0.475 363 P HA 0.112 nan 4.420 nan 0.000 0.272 363 P C 0.074 177.398 177.300 0.040 0.000 1.254 363 P CA -0.402 62.739 63.100 0.067 0.000 0.795 363 P CB 0.753 32.495 31.700 0.070 0.000 1.022 364 L N 0.067 121.305 121.223 0.025 0.000 2.417 364 L HA 0.195 4.535 4.340 -0.000 0.000 0.268 364 L C 1.105 177.973 176.870 -0.005 0.000 1.158 364 L CA -0.415 54.425 54.840 0.001 0.000 0.819 364 L CB 0.420 42.464 42.059 -0.024 0.000 1.112 364 L HN 0.493 nan 8.230 nan 0.000 0.458 365 S N 0.667 116.358 115.700 -0.015 0.000 2.608 365 S HA 0.081 4.551 4.470 -0.000 0.000 0.261 365 S C 1.068 175.662 174.600 -0.009 0.000 1.314 365 S CA -0.555 57.641 58.200 -0.007 0.000 0.992 365 S CB 1.269 64.463 63.200 -0.009 0.000 0.935 365 S HN 0.594 nan 8.310 nan 0.000 0.564 366 S N 0.687 116.393 115.700 0.009 0.000 2.419 366 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 366 S C 1.868 176.473 174.600 0.009 0.000 1.016 366 S CA 0.855 59.070 58.200 0.024 0.000 0.974 366 S CB -0.344 62.877 63.200 0.034 0.000 0.786 366 S HN 0.681 nan 8.310 nan 0.000 0.492 367 K N 2.025 122.421 120.400 -0.007 0.000 2.007 367 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 367 K C 1.285 177.858 176.600 -0.045 0.000 1.047 367 K CA 1.033 57.313 56.287 -0.013 0.000 0.937 367 K CB -0.859 31.636 32.500 -0.010 0.000 0.718 367 K HN 0.388 nan 8.250 nan 0.000 0.438 371 A N -0.043 122.798 122.820 0.036 0.000 1.872 371 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 371 A C 1.677 179.377 177.584 0.194 0.000 1.187 371 A CA 1.777 53.864 52.037 0.082 0.000 0.614 371 A CB -0.970 18.061 19.000 0.051 0.000 0.826 371 A HN 0.704 nan 8.150 nan 0.000 0.442 372 H N -0.997 118.112 119.070 0.066 0.000 2.462 372 H HA 0.067 4.623 4.556 -0.000 0.000 0.292 372 H C 1.886 177.273 175.328 0.099 0.000 1.049 372 H CA 0.779 56.882 56.048 0.091 0.000 1.334 372 H CB 0.005 29.856 29.762 0.148 0.000 1.404 372 H HN 0.416 nan 8.280 nan 0.000 0.544 373 I N 0.669 121.360 120.570 0.201 0.000 2.202 373 I HA -0.217 3.952 4.170 -0.000 0.000 0.242 373 I C 2.777 178.960 176.117 0.111 0.000 1.091 373 I CA 0.794 62.172 61.300 0.130 0.000 1.368 373 I CB -0.208 37.867 38.000 0.124 0.000 1.058 373 I HN 0.258 nan 8.210 nan 0.000 0.410 374 A N 0.372 123.258 122.820 0.111 0.000 1.877 374 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 374 A C 2.282 179.902 177.584 0.061 0.000 1.186 374 A CA 2.099 54.188 52.037 0.087 0.000 0.620 374 A CB -0.692 18.355 19.000 0.079 0.000 0.822 374 A HN 0.520 nan 8.150 nan 0.000 0.443 375 E N 0.376 120.612 120.200 0.060 0.000 2.031 375 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 375 E C 2.220 178.795 176.600 -0.042 0.000 0.994 375 E CA 1.918 58.322 56.400 0.008 0.000 0.800 375 E CB -0.196 29.504 29.700 -0.000 0.000 0.752 375 E HN 0.703 nan 8.360 nan 0.000 0.447 376 S N 0.280 115.950 115.700 -0.051 0.000 2.383 376 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 376 S C 1.313 175.890 174.600 -0.038 0.000 1.026 376 S CA 0.290 58.420 58.200 -0.116 0.000 0.981 376 S CB -0.221 62.941 63.200 -0.064 0.000 0.818 376 S HN 0.160 nan 8.310 nan 0.000 0.472 380 A N 1.600 124.415 122.820 -0.008 0.000 1.902 380 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 380 A C 1.658 179.262 177.584 0.034 0.000 1.181 380 A CA 1.954 54.001 52.037 0.017 0.000 0.623 380 A CB -0.429 18.590 19.000 0.032 0.000 0.818 380 A HN 0.190 nan 8.150 nan 0.000 0.443 381 D N 0.194 120.617 120.400 0.038 0.000 2.104 381 D HA -0.112 4.528 4.640 -0.000 0.000 0.194 381 D C 2.224 178.543 176.300 0.032 0.000 0.994 381 D CA 1.697 55.723 54.000 0.043 0.000 0.830 381 D CB -0.452 40.373 40.800 0.042 0.000 0.959 381 D HN 0.436 nan 8.370 nan 0.000 0.452 382 A N 0.212 123.045 122.820 0.023 0.000 1.930 382 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 382 A C 2.379 179.977 177.584 0.023 0.000 1.175 382 A CA 1.888 53.938 52.037 0.021 0.000 0.627 382 A CB -0.754 18.254 19.000 0.013 0.000 0.815 382 A HN 0.198 nan 8.150 nan 0.000 0.443 383 T N -0.288 114.276 114.554 0.017 0.000 2.777 383 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 383 T C 2.056 176.776 174.700 0.034 0.000 1.040 383 T CA 1.454 63.564 62.100 0.017 0.000 1.141 383 T CB -0.216 68.654 68.868 0.003 0.000 0.868 383 T HN 0.500 nan 8.240 nan 0.000 0.444 384 R N 0.654 121.180 120.500 0.043 0.000 2.092 384 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 384 R C 2.606 178.931 176.300 0.042 0.000 1.119 384 R CA 1.119 57.252 56.100 0.055 0.000 0.970 384 R CB -0.229 30.108 30.300 0.061 0.000 0.864 384 R HN 0.277 nan 8.270 nan 0.000 0.440 385 Q N 0.932 120.750 119.800 0.031 0.000 2.079 385 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 385 Q C 1.911 177.920 176.000 0.014 0.000 0.974 385 Q CA 1.888 57.701 55.803 0.016 0.000 0.840 385 Q CB -0.202 28.546 28.738 0.016 0.000 0.898 385 Q HN 0.302 nan 8.270 nan 0.000 0.430 386 A N 0.288 123.132 122.820 0.040 0.000 1.933 386 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 386 A C 2.028 179.651 177.584 0.065 0.000 1.175 386 A CA 1.698 53.776 52.037 0.070 0.000 0.628 386 A CB -0.699 18.345 19.000 0.073 0.000 0.814 386 A HN 0.612 nan 8.150 nan 0.000 0.444 387 E N -0.256 119.979 120.200 0.059 0.000 2.072 387 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 387 E C 2.243 178.879 176.600 0.060 0.000 0.985 387 E CA 1.041 57.487 56.400 0.077 0.000 0.801 387 E CB -0.093 29.664 29.700 0.096 0.000 0.750 387 E HN 0.609 nan 8.360 nan 0.000 0.452 388 R N 0.177 120.694 120.500 0.029 0.000 2.073 388 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 388 R C 2.620 178.899 176.300 -0.036 0.000 1.134 388 R CA 1.479 57.583 56.100 0.006 0.000 0.952 388 R CB -0.411 29.883 30.300 -0.010 0.000 0.850 388 R HN 0.252 nan 8.270 nan 0.000 0.433 389 L N 0.216 121.368 121.223 -0.119 0.000 2.012 389 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 389 L C 2.460 179.198 176.870 -0.220 0.000 1.073 389 L CA 1.335 55.972 54.840 -0.337 0.000 0.748 389 L CB -0.469 41.173 42.059 -0.695 0.000 0.891 389 L HN 0.167 nan 8.230 nan 0.000 0.431 390 S N -0.442 115.250 115.700 -0.014 0.000 2.368 390 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 390 S C 2.032 176.749 174.600 0.194 0.000 1.030 390 S CA 1.230 59.520 58.200 0.151 0.000 0.999 390 S CB -0.254 63.054 63.200 0.180 0.000 0.844 390 S HN 0.351 nan 8.310 nan 0.000 0.459 391 R N 0.776 121.362 120.500 0.142 0.000 2.081 391 R HA -0.008 4.332 4.340 -0.000 0.000 0.235 391 R C 2.596 178.975 176.300 0.131 0.000 1.131 391 R CA 1.361 57.549 56.100 0.147 0.000 0.960 391 R CB -0.235 30.123 30.300 0.097 0.000 0.856 391 R HN 0.274 nan 8.270 nan 0.000 0.436 392 R N -0.001 120.557 120.500 0.097 0.000 2.096 392 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 392 R C 2.457 178.808 176.300 0.086 0.000 1.127 392 R CA 1.517 57.685 56.100 0.114 0.000 0.968 392 R CB -0.341 30.011 30.300 0.086 0.000 0.861 392 R HN 0.363 nan 8.270 nan 0.000 0.440 393 H N -0.032 119.031 119.070 -0.013 0.000 2.267 393 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 393 H C 1.573 176.840 175.328 -0.103 0.000 1.080 393 H CA 2.170 58.195 56.048 -0.037 0.000 1.278 393 H CB -0.223 29.537 29.762 -0.003 0.000 1.365 393 H HN 0.401 nan 8.280 nan 0.000 0.489 394 H N -0.261 118.954 119.070 0.242 0.000 2.457 394 H HA -0.055 4.501 4.556 -0.000 0.000 0.294 394 H C 2.154 177.479 175.328 -0.005 0.000 1.064 394 H CA 1.427 57.552 56.048 0.128 0.000 1.330 394 H CB -0.175 29.662 29.762 0.125 0.000 1.395 394 H HN 0.391 nan 8.280 nan 0.000 0.541 395 T N 1.450 116.030 114.554 0.043 0.000 2.708 395 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 395 T C 2.438 177.008 174.700 -0.217 0.000 1.037 395 T CA 0.695 62.737 62.100 -0.097 0.000 1.146 395 T CB -0.297 68.477 68.868 -0.157 0.000 0.865 395 T HN 0.201 nan 8.240 nan 0.000 0.435 396 L N 0.436 121.492 121.223 -0.280 0.000 2.079 396 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 396 L C 2.852 179.590 176.870 -0.221 0.000 1.081 396 L CA 1.416 56.048 54.840 -0.347 0.000 0.752 396 L CB -0.529 41.361 42.059 -0.280 0.000 0.896 396 L HN 0.194 nan 8.230 nan 0.000 0.433 397 R N -0.863 119.556 120.500 -0.136 0.000 2.081 397 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 397 R C 2.294 178.612 176.300 0.031 0.000 1.131 397 R CA 1.603 57.677 56.100 -0.044 0.000 0.960 397 R CB -0.526 29.800 30.300 0.043 0.000 0.856 397 R HN 0.176 nan 8.270 nan 0.000 0.436 398 F N 1.606 121.497 119.950 -0.099 0.000 2.102 398 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 398 F C 1.997 177.776 175.800 -0.035 0.000 1.105 398 F CA 1.301 59.262 58.000 -0.065 0.000 1.239 398 F CB -0.202 38.737 39.000 -0.101 0.000 0.991 398 F HN -0.112 nan 8.300 nan 0.000 0.474 399 I N -0.009 120.477 120.570 -0.140 0.000 2.179 399 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 399 I C 2.631 178.694 176.117 -0.089 0.000 1.088 399 I CA 1.268 62.443 61.300 -0.207 0.000 1.357 399 I CB -0.982 36.696 38.000 -0.538 0.000 1.051 399 I HN 0.193 nan 8.210 nan 0.000 0.409 400 A N 0.682 123.435 122.820 -0.112 0.000 2.019 400 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 400 A C 2.419 179.979 177.584 -0.040 0.000 1.164 400 A CA 1.612 53.615 52.037 -0.057 0.000 0.644 400 A CB -0.635 18.324 19.000 -0.068 0.000 0.805 400 A HN 0.449 nan 8.150 nan 0.000 0.449 401 A N -1.156 121.623 122.820 -0.069 0.000 2.168 401 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 401 A C 1.172 178.705 177.584 -0.086 0.000 1.152 401 A CA 0.803 52.798 52.037 -0.070 0.000 0.716 401 A CB -0.160 18.793 19.000 -0.078 0.000 0.794 401 A HN 0.621 nan 8.150 nan 0.000 0.465 402 Q N -0.380 119.373 119.800 -0.078 0.000 2.943 402 Q HA 0.161 4.501 4.340 -0.000 0.000 0.327 402 Q C -2.027 173.992 176.000 0.032 0.000 0.937 402 Q CA -1.850 53.919 55.803 -0.055 0.000 0.914 402 Q CB 1.211 29.883 28.738 -0.110 0.000 1.339 402 Q HN 0.356 nan 8.270 nan 0.000 0.417 403 P HA -0.247 nan 4.420 nan 0.000 0.219 403 P C 0.843 178.166 177.300 0.038 0.000 1.146 403 P CA 1.503 64.632 63.100 0.048 0.000 0.808 403 P CB 0.472 32.186 31.700 0.023 0.000 0.779 404 E N 0.268 120.467 120.200 -0.002 0.000 2.216 404 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 404 E C 1.263 177.825 176.600 -0.063 0.000 0.973 404 E CA 0.045 56.429 56.400 -0.027 0.000 0.851 404 E CB -0.964 28.712 29.700 -0.041 0.000 0.804 404 E HN 0.162 nan 8.360 nan 0.000 0.477 405 R N 1.195 121.630 120.500 -0.108 0.000 2.678 405 R HA 0.087 4.427 4.340 -0.000 0.000 0.264 405 R C -0.709 175.423 176.300 -0.280 0.000 0.995 405 R CA 0.176 56.114 56.100 -0.270 0.000 1.098 405 R CB 0.482 30.506 30.300 -0.461 0.000 0.949 405 R HN -0.049 nan 8.270 nan 0.000 0.422 406 V N 4.976 124.669 119.914 -0.369 0.000 2.409 406 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 406 V C -0.798 175.098 176.094 -0.330 0.000 1.020 406 V CA -0.700 61.460 62.300 -0.233 0.000 0.848 406 V CB 1.101 32.844 31.823 -0.134 0.000 0.990 406 V HN 0.710 nan 8.190 nan 0.000 0.430 407 W N 1.600 122.873 121.300 -0.044 0.000 2.512 407 W HA 0.519 5.179 4.660 -0.000 0.000 0.335 407 W C 0.094 176.608 176.519 -0.008 0.000 1.088 407 W CA -0.674 56.675 57.345 0.007 0.000 1.236 407 W CB 0.643 30.149 29.460 0.076 0.000 1.307 407 W HN 0.437 nan 8.180 nan 0.000 0.567 408 D N 1.961 122.507 120.400 0.243 0.000 2.295 408 D HA 0.458 5.098 4.640 -0.000 0.000 0.248 408 D C -0.184 176.212 176.300 0.160 0.000 1.154 408 D CA 0.245 54.331 54.000 0.143 0.000 0.857 408 D CB 1.320 42.184 40.800 0.106 0.000 1.117 408 D HN 0.399 nan 8.370 nan 0.000 0.468 409 A N 2.079 124.957 122.820 0.097 0.000 2.387 409 A HA 0.782 5.102 4.320 -0.000 0.000 0.303 409 A C -0.779 176.818 177.584 0.021 0.000 1.145 409 A CA -0.611 51.468 52.037 0.070 0.000 0.801 409 A CB 1.667 20.698 19.000 0.052 0.000 1.342 409 A HN 0.327 nan 8.150 nan 0.000 0.440 410 V N 0.031 119.939 119.914 -0.012 0.000 2.841 410 V HA 0.382 4.502 4.120 -0.000 0.000 0.310 410 V C -0.546 175.483 176.094 -0.108 0.000 1.090 410 V CA -0.675 61.598 62.300 -0.045 0.000 0.930 410 V CB 1.918 33.722 31.823 -0.032 0.000 1.014 410 V HN 0.678 nan 8.190 nan 0.000 0.425 411 V N 4.501 124.349 119.914 -0.111 0.000 2.405 411 V HA 0.115 4.235 4.120 -0.000 0.000 0.264 411 V C 1.012 176.973 176.094 -0.222 0.000 1.048 411 V CA 0.472 62.676 62.300 -0.159 0.000 0.966 411 V CB 1.193 32.951 31.823 -0.108 0.000 1.015 411 V HN 0.856 nan 8.190 nan 0.000 0.477 412 V N 0.370 120.040 119.914 -0.406 0.000 3.644 412 V HA 0.449 4.569 4.120 -0.000 0.000 0.267 412 V C 0.321 176.096 176.094 -0.531 0.000 1.277 412 V CA 0.582 62.546 62.300 -0.559 0.000 1.096 412 V CB 0.378 31.520 31.823 -1.136 0.000 0.828 412 V HN 0.781 nan 8.190 nan 0.000 0.446 413 D N -0.565 119.599 120.400 -0.392 0.000 2.725 413 D HA 0.470 5.110 4.640 -0.000 0.000 0.292 413 D C -1.242 174.990 176.300 -0.114 0.000 1.288 413 D CA -0.547 53.341 54.000 -0.187 0.000 0.784 413 D CB 2.257 42.989 40.800 -0.113 0.000 1.308 413 D HN 0.225 nan 8.370 nan 0.000 0.429 414 R N 0.144 120.619 120.500 -0.042 0.000 2.739 414 R HA 0.630 4.970 4.340 -0.000 0.000 0.271 414 R C -0.770 175.529 176.300 -0.001 0.000 1.010 414 R CA -0.525 55.558 56.100 -0.028 0.000 0.897 414 R CB 1.396 31.681 30.300 -0.025 0.000 1.236 414 R HN 0.228 nan 8.270 nan 0.000 0.466 415 R N 0.741 121.240 120.500 -0.001 0.000 2.616 415 R HA 0.338 4.678 4.340 -0.000 0.000 0.427 415 R C 0.264 176.568 176.300 0.005 0.000 1.030 415 R CA 0.794 56.899 56.100 0.009 0.000 1.133 415 R CB 0.666 30.974 30.300 0.013 0.000 1.444 415 R HN 0.938 nan 8.270 nan 0.000 0.578 416 G N -0.433 108.368 108.800 0.001 0.000 3.626 416 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.241 416 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.241 416 G C 0.944 175.842 174.900 -0.003 0.000 1.824 416 G CA 0.072 45.172 45.100 0.000 0.000 1.511 416 G HN 0.370 nan 8.290 nan 0.000 0.600 417 A N 0.476 123.295 122.820 -0.002 0.000 1.984 417 A HA 0.485 4.805 4.320 -0.000 0.000 0.214 417 A C 1.348 178.928 177.584 -0.006 0.000 1.173 417 A CA 2.146 54.181 52.037 -0.003 0.000 0.673 417 A CB -0.249 18.750 19.000 -0.001 0.000 0.830 417 A HN 1.232 nan 8.150 nan 0.000 0.453 418 Q N -0.574 119.222 119.800 -0.007 0.000 2.297 418 Q HA 0.758 5.098 4.340 -0.000 0.000 0.268 418 Q C -0.829 175.158 176.000 -0.021 0.000 1.045 418 Q CA -0.459 55.337 55.803 -0.012 0.000 0.861 418 Q CB 1.721 30.455 28.738 -0.006 0.000 1.344 418 Q HN 0.238 nan 8.270 nan 0.000 0.452 419 A N 0.932 123.732 122.820 -0.034 0.000 2.356 419 A HA 0.648 4.968 4.320 -0.000 0.000 0.323 419 A C -0.600 176.936 177.584 -0.081 0.000 1.119 419 A CA -0.701 51.300 52.037 -0.059 0.000 0.790 419 A CB 1.411 20.372 19.000 -0.065 0.000 1.273 419 A HN 0.696 nan 8.150 nan 0.000 0.452 420 T N 2.728 117.201 114.554 -0.136 0.000 2.875 420 T HA 0.415 4.765 4.350 -0.000 0.000 0.307 420 T C -0.311 174.224 174.700 -0.275 0.000 1.013 420 T CA 0.076 62.059 62.100 -0.195 0.000 0.970 420 T CB -0.752 67.959 68.868 -0.261 0.000 0.986 420 T HN 0.334 nan 8.240 nan 0.000 0.536 421 L N 3.878 125.001 121.223 -0.167 0.000 2.349 421 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 421 L C -0.137 176.648 176.870 -0.141 0.000 1.115 421 L CA -0.440 54.316 54.840 -0.138 0.000 0.820 421 L CB 0.677 42.705 42.059 -0.053 0.000 1.135 421 L HN 0.448 nan 8.230 nan 0.000 0.445 422 L N 4.509 125.647 121.223 -0.142 0.000 2.356 422 L HA 0.601 4.941 4.340 -0.000 0.000 0.277 422 L C -0.890 176.012 176.870 0.054 0.000 0.996 422 L CA -0.177 54.620 54.840 -0.071 0.000 0.822 422 L CB 1.339 43.302 42.059 -0.160 0.000 1.256 422 L HN 0.360 nan 8.230 nan 0.000 0.413 423 I N 8.442 129.098 120.570 0.144 0.000 2.313 423 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 423 I C -1.617 174.612 176.117 0.185 0.000 1.091 423 I CA -1.916 59.501 61.300 0.195 0.000 1.216 423 I CB 1.031 39.178 38.000 0.245 0.000 1.434 423 I HN 0.537 nan 8.210 nan 0.000 0.487 424 P HA -0.203 nan 4.420 nan 0.000 0.216 424 P C 0.759 178.158 177.300 0.166 0.000 1.157 424 P CA 1.461 64.651 63.100 0.149 0.000 0.880 424 P CB 0.200 31.975 31.700 0.125 0.000 0.791 425 D N -1.761 118.770 120.400 0.217 0.000 2.351 425 D HA -0.067 4.573 4.640 -0.000 0.000 0.216 425 D C 1.384 177.812 176.300 0.213 0.000 0.968 425 D CA 0.858 55.010 54.000 0.253 0.000 0.899 425 D CB -0.296 40.739 40.800 0.391 0.000 0.907 425 D HN 0.231 nan 8.370 nan 0.000 0.514 426 L N -1.217 120.098 121.223 0.154 0.000 2.920 426 L HA 0.360 4.700 4.340 -0.000 0.000 0.257 426 L C 0.814 177.759 176.870 0.124 0.000 1.150 426 L CA -0.075 54.804 54.840 0.065 0.000 0.959 426 L CB 0.360 42.354 42.059 -0.108 0.000 1.321 426 L HN -0.061 nan 8.230 nan 0.000 0.555 427 A N 0.750 123.662 122.820 0.153 0.000 2.783 427 A HA -0.289 4.031 4.320 -0.000 0.000 0.292 427 A C -0.075 177.633 177.584 0.207 0.000 1.495 427 A CA 0.934 53.065 52.037 0.158 0.000 0.787 427 A CB -2.353 16.715 19.000 0.114 0.000 1.017 427 A HN 0.348 nan 8.150 nan 0.000 0.516 428 F N 0.966 120.932 119.950 0.027 0.000 2.520 428 F HA 0.607 5.134 4.527 -0.000 0.000 0.322 428 F C -0.411 175.419 175.800 0.051 0.000 1.103 428 F CA -0.651 57.347 58.000 -0.004 0.000 0.926 428 F CB 1.524 40.446 39.000 -0.129 0.000 1.154 428 F HN 0.364 nan 8.300 nan 0.000 0.453 429 D N 5.243 125.388 120.400 -0.424 0.000 2.787 429 D HA 0.507 5.147 4.640 -0.000 0.000 0.246 429 D C -1.240 174.865 176.300 -0.324 0.000 1.150 429 D CA -0.464 53.413 54.000 -0.205 0.000 0.864 429 D CB 1.943 42.745 40.800 0.002 0.000 1.481 429 D HN 0.456 nan 8.370 nan 0.000 0.509 430 V N -0.824 119.047 119.914 -0.072 0.000 2.960 430 V HA 0.632 4.751 4.120 -0.000 0.000 0.315 430 V C -0.561 175.540 176.094 0.012 0.000 1.087 430 V CA -1.005 61.301 62.300 0.011 0.000 0.982 430 V CB 1.734 33.723 31.823 0.277 0.000 1.039 430 V HN 0.478 nan 8.190 nan 0.000 0.437 431 Q N 1.494 121.305 119.800 0.019 0.000 2.322 431 Q HA 0.660 5.000 4.340 -0.000 0.000 0.256 431 Q C -1.051 174.961 176.000 0.020 0.000 0.960 431 Q CA -0.090 55.717 55.803 0.007 0.000 0.934 431 Q CB 1.322 30.065 28.738 0.009 0.000 1.200 431 Q HN 0.808 nan 8.270 nan 0.000 0.435 432 V N 4.465 124.379 119.914 0.001 0.000 2.443 432 V HA 0.356 4.476 4.120 -0.000 0.000 0.293 432 V C -0.631 175.456 176.094 -0.011 0.000 1.021 432 V CA -1.183 61.117 62.300 -0.001 0.000 0.848 432 V CB 1.813 33.630 31.823 -0.010 0.000 0.998 432 V HN 0.748 nan 8.190 nan 0.000 0.424 433 N N 2.771 121.468 118.700 -0.005 0.000 2.452 433 N HA 0.457 5.197 4.740 -0.000 0.000 0.266 433 N C -0.112 175.391 175.510 -0.012 0.000 1.209 433 N CA 0.523 53.569 53.050 -0.008 0.000 0.929 433 N CB 0.800 39.286 38.487 -0.002 0.000 1.063 433 N HN 0.861 nan 8.380 nan 0.000 0.472 434 T N 1.015 115.559 114.554 -0.016 0.000 3.401 434 T HA 0.183 4.533 4.350 -0.000 0.000 0.405 434 T C -2.555 172.134 174.700 -0.019 0.000 1.688 434 T CA -1.100 60.989 62.100 -0.017 0.000 1.143 434 T CB 1.067 69.922 68.868 -0.022 0.000 1.526 434 T HN 0.225 nan 8.240 nan 0.000 0.472 435 P HA 0.189 nan 4.420 nan 0.000 0.239 435 P C 0.641 177.930 177.300 -0.018 0.000 1.184 435 P CA 0.201 63.292 63.100 -0.015 0.000 0.760 435 P CB -0.438 31.255 31.700 -0.012 0.000 0.884 436 A N 0.707 123.513 122.820 -0.022 0.000 2.603 436 A HA 0.273 4.592 4.320 -0.000 0.000 0.235 436 A C 0.815 178.382 177.584 -0.029 0.000 1.035 436 A CA 0.353 52.375 52.037 -0.026 0.000 0.755 436 A CB -0.344 18.637 19.000 -0.032 0.000 0.954 436 A HN 0.368 nan 8.150 nan 0.000 0.511 437 A N 4.577 127.382 122.820 -0.026 0.000 2.354 437 A HA 0.622 4.942 4.320 -0.000 0.000 0.269 437 A C -2.291 175.272 177.584 -0.035 0.000 1.109 437 A CA -1.662 50.360 52.037 -0.026 0.000 0.800 437 A CB -0.211 18.778 19.000 -0.018 0.000 1.045 437 A HN 0.656 nan 8.150 nan 0.000 0.489 438 P HA 0.189 nan 4.420 nan 0.000 0.260 438 P C 0.990 178.264 177.300 -0.043 0.000 1.172 438 P CA 2.195 65.263 63.100 -0.052 0.000 0.760 438 P CB 0.487 32.162 31.700 -0.041 0.000 0.773 439 G N 1.853 110.620 108.800 -0.055 0.000 2.176 439 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.232 439 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.232 439 G C 0.169 175.052 174.900 -0.029 0.000 0.986 439 G CA 0.142 45.220 45.100 -0.037 0.000 0.643 439 G HN 0.745 nan 8.290 nan 0.000 0.522 440 T N -0.357 114.176 114.554 -0.033 0.000 2.747 440 T HA 0.783 5.133 4.350 -0.000 0.000 0.301 440 T C 0.730 175.415 174.700 -0.025 0.000 0.952 440 T CA 0.598 62.682 62.100 -0.025 0.000 0.983 440 T CB 1.644 70.498 68.868 -0.024 0.000 0.930 440 T HN 1.724 nan 8.240 nan 0.000 0.494 441 A N 4.457 127.268 122.820 -0.016 0.000 2.536 441 A HA 0.603 4.923 4.320 -0.000 0.000 0.234 441 A C 0.110 177.688 177.584 -0.011 0.000 1.076 441 A CA -0.164 51.868 52.037 -0.009 0.000 0.769 441 A CB -0.108 18.893 19.000 0.002 0.000 1.020 441 A HN 0.969 nan 8.150 nan 0.000 0.508 442 L N -0.729 120.490 121.223 -0.006 0.000 2.720 442 L HA 0.387 4.727 4.340 -0.000 0.000 0.261 442 L C -0.854 176.015 176.870 -0.002 0.000 1.046 442 L CA -0.895 53.938 54.840 -0.011 0.000 0.886 442 L CB 2.068 44.113 42.059 -0.023 0.000 1.493 442 L HN 0.694 nan 8.230 nan 0.000 0.407 443 Q N 0.635 120.427 119.800 -0.013 0.000 2.293 443 Q HA 0.703 5.043 4.340 -0.000 0.000 0.261 443 Q C -1.304 174.672 176.000 -0.039 0.000 0.960 443 Q CA -0.275 55.520 55.803 -0.013 0.000 0.882 443 Q CB 2.209 30.933 28.738 -0.022 0.000 1.275 443 Q HN 0.331 nan 8.270 nan 0.000 0.445 444 V N 2.624 122.512 119.914 -0.044 0.000 2.823 444 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 444 V C -0.959 175.023 176.094 -0.188 0.000 1.072 444 V CA -0.884 61.317 62.300 -0.166 0.000 0.937 444 V CB 2.120 33.769 31.823 -0.289 0.000 1.013 444 V HN 0.712 nan 8.190 nan 0.000 0.430 445 Q N 1.966 121.598 119.800 -0.280 0.000 2.274 445 Q HA 0.596 4.936 4.340 -0.000 0.000 0.268 445 Q C -1.892 173.973 176.000 -0.225 0.000 1.015 445 Q CA -0.450 55.256 55.803 -0.162 0.000 0.775 445 Q CB 1.647 30.353 28.738 -0.053 0.000 1.256 445 Q HN 0.594 nan 8.270 nan 0.000 0.442 446 F N 1.572 121.595 119.950 0.123 0.000 2.370 446 F HA 0.856 5.383 4.527 -0.000 0.000 0.324 446 F C 0.572 176.395 175.800 0.039 0.000 1.116 446 F CA -0.140 57.892 58.000 0.054 0.000 1.123 446 F CB 1.772 40.768 39.000 -0.006 0.000 1.238 446 F HN 0.628 nan 8.300 nan 0.000 0.536 447 A N 0.443 123.407 122.820 0.239 0.000 2.567 447 A HA 0.508 4.828 4.320 -0.000 0.000 0.291 447 A C -1.290 176.349 177.584 0.092 0.000 1.048 447 A CA -0.881 51.230 52.037 0.125 0.000 0.661 447 A CB 0.771 19.822 19.000 0.085 0.000 1.288 447 A HN 0.775 nan 8.150 nan 0.000 0.424 448 D N -0.238 120.194 120.400 0.053 0.000 2.828 448 D HA -0.142 4.498 4.640 -0.000 0.000 0.241 448 D C -0.584 175.729 176.300 0.023 0.000 1.142 448 D CA 1.044 55.064 54.000 0.034 0.000 0.755 448 D CB -0.965 39.858 40.800 0.038 0.000 1.014 448 D HN 0.446 nan 8.370 nan 0.000 0.420 449 I N 1.455 122.026 120.570 0.001 0.000 2.396 449 I HA 0.077 4.247 4.170 -0.000 0.000 0.289 449 I C 0.871 176.966 176.117 -0.037 0.000 1.056 449 I CA 0.061 61.342 61.300 -0.032 0.000 1.365 449 I CB 0.805 38.762 38.000 -0.072 0.000 1.407 449 I HN -0.035 nan 8.210 nan 0.000 0.509 450 D N 6.995 127.375 120.400 -0.033 0.000 2.472 450 D HA 0.190 4.830 4.640 -0.000 0.000 0.234 450 D C 0.924 177.194 176.300 -0.051 0.000 1.088 450 D CA -0.255 53.723 54.000 -0.036 0.000 0.882 450 D CB 0.941 41.733 40.800 -0.013 0.000 1.037 450 D HN 0.450 nan 8.370 nan 0.000 0.520 451 L N 3.849 125.017 121.223 -0.091 0.000 1.994 451 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 451 L C -0.562 176.287 176.870 -0.035 0.000 1.071 451 L CA 1.284 56.057 54.840 -0.112 0.000 0.745 451 L CB -1.100 40.858 42.059 -0.168 0.000 0.892 451 L HN 0.352 nan 8.230 nan 0.000 0.431 452 P HA -0.157 nan 4.420 nan 0.000 0.217 452 P C 0.204 177.570 177.300 0.109 0.000 1.148 452 P CA 1.256 64.262 63.100 -0.157 0.000 0.828 452 P CB 0.097 31.640 31.700 -0.262 0.000 0.783 456 V N -1.773 118.181 119.914 0.066 0.000 3.178 456 V HA 0.663 4.783 4.120 -0.000 0.000 0.302 456 V C -1.072 175.110 176.094 0.147 0.000 1.262 456 V CA -1.283 61.063 62.300 0.077 0.000 1.030 456 V CB 2.471 34.299 31.823 0.008 0.000 1.074 456 V HN 0.679 nan 8.190 nan 0.000 0.438 457 R N 1.642 122.250 120.500 0.179 0.000 2.343 457 R HA 0.829 5.169 4.340 -0.000 0.000 0.320 457 R C -0.177 176.280 176.300 0.262 0.000 0.956 457 R CA -0.208 55.999 56.100 0.178 0.000 0.836 457 R CB 2.013 32.378 30.300 0.108 0.000 1.151 457 R HN 1.135 nan 8.270 nan 0.000 0.450 458 A N 3.167 126.125 122.820 0.231 0.000 2.304 458 A HA 0.556 4.876 4.320 -0.000 0.000 0.301 458 A C -0.281 177.296 177.584 -0.011 0.000 1.132 458 A CA -0.543 51.555 52.037 0.102 0.000 0.819 458 A CB 0.763 19.843 19.000 0.133 0.000 1.094 458 A HN 0.778 nan 8.150 nan 0.000 0.492 459 R N 1.516 121.951 120.500 -0.109 0.000 2.510 459 R HA 0.353 4.693 4.340 -0.000 0.000 0.294 459 R C -0.849 175.397 176.300 -0.090 0.000 1.056 459 R CA -0.103 55.956 56.100 -0.068 0.000 0.918 459 R CB 1.463 31.741 30.300 -0.037 0.000 1.187 459 R HN 0.733 nan 8.270 nan 0.000 0.437 460 S N 3.939 119.602 115.700 -0.063 0.000 2.465 460 S HA 0.078 4.548 4.470 -0.000 0.000 0.307 460 S C 0.285 174.858 174.600 -0.044 0.000 1.187 460 S CA -0.361 57.805 58.200 -0.055 0.000 1.141 460 S CB 0.121 63.297 63.200 -0.040 0.000 1.108 460 S HN 0.439 nan 8.310 nan 0.000 0.525 461 V N 0.000 119.886 119.914 -0.047 0.000 2.409 461 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 461 V CA 0.000 62.278 62.300 -0.036 0.000 1.235 461 V CB 0.000 31.800 31.823 -0.039 0.000 1.184 461 V HN 0.000 nan 8.190 nan 0.000 0.556