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 1hzv_1_A DATA FIRST_RESID 23 DATA SEQUENCE VRTNGAPDMS ESEFNEAKQI YFQRCAGCHG VLRKGATGKP LTPDITQQRG DATA SEQUENCE QQYLEALITY GTPLGMXXXX XXXELSKEQI TLMAKYIQHT PPQPPEWGMP DATA SEQUENCE EMRESWKVLV KPEDRPKKQL NDLDLPNLFS VTLRDAGQIA LVDGDSKKIV DATA SEQUENCE KVIDTGYAVH ISRMSASGRY LLVIGRDARI DMIDLWAKEP TKVAEIKIGI DATA SEQUENCE EARSVESSKF KGYEDRYTIA GAYWPPQFAI MDGETLEPKQ IVSTRGMTVD DATA SEQUENCE TQTYHPEPRV AAIIASHEHP EFIVNVKETG KVLLVNYKDI DNLTVTSIGA DATA SEQUENCE APFLHDGGWD SSHRYFMTAA NNSNKVAVID SKDRRLSALV DVGKTPAPGR DATA SEQUENCE GANFVHPKYG PVWSTSHLGD GSISLIGTDP KNHPQYAWKK VAELQGQGGG DATA SEQUENCE SLFIKTHPKS SHLYVDTTFN PDARISQSVA VFDLKNLDAK YQVLPIAEWA DATA SEQUENCE DLGEGAKRVV QPEYNKRGDE VWFSVWNGKN DSSALVVVDD KTLKLKAVVK DATA SEQUENCE DPRLITPTGK FNVYNTQHDV Y 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.077 176.094 -0.029 0.000 1.182 23 V CA 0.000 62.236 62.300 -0.107 0.000 1.235 23 V CB 0.000 31.752 31.823 -0.118 0.000 1.184 24 R N 1.901 122.397 120.500 -0.007 0.000 2.686 24 R HA 0.892 5.232 4.340 -0.000 0.000 0.286 24 R C -0.274 176.073 176.300 0.079 0.000 0.969 24 R CA -0.505 55.637 56.100 0.069 0.000 0.898 24 R CB 2.617 32.927 30.300 0.016 0.000 1.183 24 R HN 0.613 nan 8.270 nan 0.000 0.456 25 T N 0.039 114.633 114.554 0.067 0.000 2.804 25 T HA 0.199 4.549 4.350 -0.000 0.000 0.272 25 T C 0.553 175.236 174.700 -0.029 0.000 0.986 25 T CA -0.937 61.173 62.100 0.017 0.000 0.999 25 T CB 0.730 69.600 68.868 0.004 0.000 1.307 25 T HN 0.581 nan 8.240 nan 0.000 0.586 26 N N 0.463 119.142 118.700 -0.035 0.000 2.471 26 N HA 0.373 5.113 4.740 -0.000 0.000 0.205 26 N C 0.573 176.056 175.510 -0.045 0.000 1.251 26 N CA -0.166 52.862 53.050 -0.036 0.000 0.843 26 N CB 0.285 38.755 38.487 -0.028 0.000 1.044 26 N HN 0.808 nan 8.380 nan 0.000 0.461 27 G N -0.681 108.081 108.800 -0.063 0.000 2.767 27 G HA2 0.328 4.288 3.960 -0.000 0.000 0.228 27 G HA3 0.328 4.288 3.960 -0.000 0.000 0.228 27 G C -0.709 174.137 174.900 -0.090 0.000 1.271 27 G CA -0.177 44.884 45.100 -0.066 0.000 1.029 27 G HN 0.419 nan 8.290 nan 0.000 0.543 28 A N -0.047 122.695 122.820 -0.130 0.000 2.609 28 A HA 0.981 5.301 4.320 -0.000 0.000 0.291 28 A C -2.989 174.464 177.584 -0.220 0.000 1.096 28 A CA -1.321 50.611 52.037 -0.175 0.000 0.684 28 A CB 1.402 20.264 19.000 -0.229 0.000 1.282 28 A HN 0.136 nan 8.150 nan 0.000 0.412 29 P HA 0.172 nan 4.420 nan 0.000 0.260 29 P C -1.143 176.018 177.300 -0.233 0.000 1.172 29 P CA 0.774 63.770 63.100 -0.173 0.000 0.760 29 P CB 0.189 31.814 31.700 -0.125 0.000 0.773 30 D N 4.378 124.738 120.400 -0.068 0.000 2.549 30 D HA 0.452 5.092 4.640 -0.000 0.000 0.251 30 D C 0.039 176.387 176.300 0.080 0.000 1.153 30 D CA -0.046 53.986 54.000 0.053 0.000 0.861 30 D CB 1.197 42.032 40.800 0.058 0.000 1.207 30 D HN 0.105 nan 8.370 nan 0.000 0.543 31 M N 0.795 120.480 119.600 0.141 0.000 2.484 31 M HA 0.359 4.839 4.480 -0.000 0.000 0.289 31 M C -0.032 176.405 176.300 0.228 0.000 1.206 31 M CA -0.909 54.499 55.300 0.181 0.000 0.892 31 M CB 1.744 34.499 32.600 0.259 0.000 1.712 31 M HN 0.296 nan 8.290 nan 0.000 0.462 32 S N 0.264 116.061 115.700 0.162 0.000 2.664 32 S HA 0.870 5.340 4.470 -0.000 0.000 0.304 32 S C -0.122 174.547 174.600 0.113 0.000 1.099 32 S CA -0.238 58.042 58.200 0.133 0.000 1.003 32 S CB 2.508 65.748 63.200 0.066 0.000 1.092 32 S HN 0.709 nan 8.310 nan 0.000 0.525 33 E N 0.426 120.687 120.200 0.101 0.000 4.788 33 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 33 E C 0.950 177.598 176.600 0.080 0.000 1.477 33 E CA 1.206 57.655 56.400 0.082 0.000 2.443 33 E CB -1.476 28.255 29.700 0.051 0.000 2.075 33 E HN 1.167 nan 8.360 nan 0.000 0.466 34 S N -0.508 115.226 115.700 0.057 0.000 2.889 34 S HA -0.481 3.989 4.470 -0.000 0.000 0.382 34 S C 1.631 176.225 174.600 -0.010 0.000 1.483 34 S CA 3.112 61.330 58.200 0.030 0.000 1.121 34 S CB -0.799 62.406 63.200 0.008 0.000 1.266 34 S HN 0.534 nan 8.310 nan 0.000 0.458 35 E N -0.770 119.390 120.200 -0.067 0.000 2.169 35 E HA -0.208 4.142 4.350 -0.000 0.000 0.202 35 E C 1.615 177.970 176.600 -0.408 0.000 1.016 35 E CA 1.829 58.056 56.400 -0.288 0.000 0.817 35 E CB -0.346 29.156 29.700 -0.330 0.000 0.736 35 E HN 0.732 nan 8.360 nan 0.000 0.462 36 F N 1.357 121.194 119.950 -0.189 0.000 2.051 36 F HA -0.220 4.307 4.527 0.000 0.000 0.296 36 F C 2.053 177.833 175.800 -0.034 0.000 1.122 36 F CA 1.950 59.933 58.000 -0.029 0.000 1.201 36 F CB -0.569 38.460 39.000 0.049 0.000 0.978 36 F HN 0.004 nan 8.300 nan 0.000 0.472 37 N N -0.095 118.573 118.700 -0.055 0.000 2.104 37 N HA -0.269 4.471 4.740 -0.000 0.000 0.190 37 N C 1.991 177.422 175.510 -0.131 0.000 1.024 37 N CA 1.661 54.657 53.050 -0.090 0.000 0.853 37 N CB -0.233 38.285 38.487 0.052 0.000 1.008 37 N HN 0.542 nan 8.380 nan 0.000 0.424 38 E N -0.053 120.068 120.200 -0.132 0.000 2.122 38 E HA 0.012 4.362 4.350 -0.000 0.000 0.190 38 E C 1.597 178.107 176.600 -0.150 0.000 0.977 38 E CA 0.474 56.804 56.400 -0.116 0.000 0.820 38 E CB -0.022 29.624 29.700 -0.091 0.000 0.770 38 E HN 0.367 nan 8.360 nan 0.000 0.462 39 A N 0.933 123.598 122.820 -0.258 0.000 2.216 39 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 39 A C 1.919 179.424 177.584 -0.131 0.000 1.160 39 A CA 0.902 52.810 52.037 -0.215 0.000 0.725 39 A CB -0.200 18.584 19.000 -0.359 0.000 0.784 39 A HN 0.090 nan 8.150 nan 0.000 0.472 40 K N -1.036 119.255 120.400 -0.181 0.000 2.365 40 K HA 0.088 4.408 4.320 -0.000 0.000 0.195 40 K C 1.880 178.515 176.600 0.059 0.000 1.079 40 K CA 0.546 56.749 56.287 -0.139 0.000 0.979 40 K CB 0.015 32.297 32.500 -0.363 0.000 0.929 40 K HN 0.514 nan 8.250 nan 0.000 0.523 41 Q N 0.461 120.292 119.800 0.053 0.000 2.311 41 Q HA 0.000 4.340 4.340 -0.000 0.000 0.203 41 Q C 1.402 177.466 176.000 0.106 0.000 0.954 41 Q CA 0.600 56.489 55.803 0.143 0.000 0.885 41 Q CB 0.375 29.159 28.738 0.077 0.000 0.963 41 Q HN 0.235 nan 8.270 nan 0.000 0.471 42 I N 0.006 120.597 120.570 0.034 0.000 3.226 42 I HA -0.139 4.031 4.170 -0.000 0.000 0.277 42 I C 1.599 177.707 176.117 -0.014 0.000 1.243 42 I CA 0.683 61.987 61.300 0.008 0.000 1.459 42 I CB -0.827 37.164 38.000 -0.016 0.000 1.093 42 I HN 0.299 nan 8.210 nan 0.000 0.453 43 Y N 0.861 121.066 120.300 -0.158 0.000 2.365 43 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 43 Y C 1.828 177.539 175.900 -0.315 0.000 1.119 43 Y CA 1.258 59.179 58.100 -0.298 0.000 1.203 43 Y CB -0.220 37.946 38.460 -0.490 0.000 1.026 43 Y HN -0.029 nan 8.280 nan 0.000 0.549 44 F N 0.781 120.679 119.950 -0.087 0.000 2.773 44 F HA 0.077 4.604 4.527 0.000 0.000 0.304 44 F C 2.265 178.020 175.800 -0.076 0.000 1.129 44 F CA 0.253 58.187 58.000 -0.109 0.000 1.378 44 F CB -0.481 38.539 39.000 0.034 0.000 1.095 44 F HN 0.206 nan 8.300 nan 0.000 0.565 45 Q N 1.293 121.115 119.800 0.037 0.000 1.941 45 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 45 Q C 1.095 177.088 176.000 -0.012 0.000 0.982 45 Q CA 1.484 57.305 55.803 0.030 0.000 0.839 45 Q CB 0.110 28.849 28.738 0.003 0.000 0.904 45 Q HN 0.219 nan 8.270 nan 0.000 0.427 46 R N -0.891 119.562 120.500 -0.078 0.000 2.569 46 R HA 0.230 4.570 4.340 -0.000 0.000 0.429 46 R C -0.689 175.511 176.300 -0.167 0.000 0.994 46 R CA 0.177 56.218 56.100 -0.099 0.000 1.089 46 R CB -0.249 30.012 30.300 -0.066 0.000 1.420 46 R HN 0.380 nan 8.270 nan 0.000 0.615 47 C N -1.653 117.488 119.300 -0.266 0.000 3.626 47 C HA 0.576 5.036 4.460 -0.000 0.000 0.276 47 C C 1.642 176.289 174.990 -0.570 0.000 1.694 47 C CA 0.022 58.822 59.018 -0.364 0.000 1.785 47 C CB 0.347 27.814 27.740 -0.455 0.000 3.152 47 C HN 0.430 nan 8.230 nan 0.000 0.571 48 A N 1.871 124.491 122.820 -0.334 0.000 1.861 48 A HA 0.397 4.717 4.320 -0.000 0.000 0.212 48 A C 2.206 179.795 177.584 0.009 0.000 1.199 48 A CA 1.757 53.736 52.037 -0.096 0.000 0.613 48 A CB -1.127 17.971 19.000 0.163 0.000 0.846 48 A HN 0.518 nan 8.150 nan 0.000 0.446 49 G N -1.432 107.356 108.800 -0.020 0.000 2.453 49 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.215 49 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.215 49 G C 1.502 176.400 174.900 -0.002 0.000 1.147 49 G CA 1.163 46.294 45.100 0.051 0.000 0.802 49 G HN 0.483 nan 8.290 nan 0.000 0.535 50 C N -0.501 118.639 119.300 -0.266 0.000 2.486 50 C HA 0.132 4.592 4.460 -0.000 0.000 0.279 50 C C 2.241 177.051 174.990 -0.299 0.000 1.302 50 C CA 0.545 59.290 59.018 -0.455 0.000 1.720 50 C CB -0.642 26.735 27.740 -0.606 0.000 2.030 50 C HN 0.493 nan 8.230 nan 0.000 0.490 51 H N -0.583 118.451 119.070 -0.061 0.000 2.586 51 H HA 0.295 4.851 4.556 -0.000 0.000 0.273 51 H C 1.193 176.604 175.328 0.138 0.000 0.997 51 H CA 1.107 57.185 56.048 0.050 0.000 1.177 51 H CB 0.233 30.044 29.762 0.080 0.000 1.471 51 H HN 0.582 nan 8.280 nan 0.000 0.538 52 G N -0.038 108.887 108.800 0.209 0.000 2.663 52 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 52 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 52 G C 0.677 175.756 174.900 0.298 0.000 1.288 52 G CA -0.223 45.020 45.100 0.237 0.000 0.836 52 G HN 0.057 nan 8.290 nan 0.000 0.584 53 V N 0.201 120.276 119.914 0.268 0.000 2.302 53 V HA 0.110 4.230 4.120 -0.000 0.000 0.243 53 V C 2.156 178.385 176.094 0.223 0.000 1.036 53 V CA 2.172 64.634 62.300 0.271 0.000 1.020 53 V CB -0.403 31.495 31.823 0.124 0.000 0.657 53 V HN 0.495 nan 8.190 nan 0.000 0.453 54 L N 0.608 121.910 121.223 0.133 0.000 3.034 54 L HA 0.385 4.725 4.340 -0.000 0.000 0.245 54 L C 0.486 177.395 176.870 0.064 0.000 1.295 54 L CA -0.109 54.771 54.840 0.067 0.000 1.068 54 L CB -0.107 41.973 42.059 0.035 0.000 1.426 54 L HN 0.300 nan 8.230 nan 0.000 0.531 55 R N -0.971 119.599 120.500 0.118 0.000 3.516 55 R HA -0.238 4.102 4.340 -0.000 0.000 0.271 55 R C 0.695 177.074 176.300 0.132 0.000 1.098 55 R CA 0.569 56.744 56.100 0.125 0.000 0.732 55 R CB -1.779 28.487 30.300 -0.058 0.000 1.152 55 R HN 0.484 nan 8.270 nan 0.000 0.455 56 K N 0.415 120.904 120.400 0.148 0.000 2.401 56 K HA 0.164 4.484 4.320 -0.000 0.000 0.176 56 K C 1.096 177.790 176.600 0.157 0.000 1.109 56 K CA 0.942 57.306 56.287 0.129 0.000 1.146 56 K CB 0.044 32.617 32.500 0.122 0.000 1.600 56 K HN 0.411 nan 8.250 nan 0.000 0.474 57 G N 0.125 109.016 108.800 0.152 0.000 2.587 57 G HA2 0.095 4.055 3.960 -0.000 0.000 0.216 57 G HA3 0.095 4.055 3.960 -0.000 0.000 0.216 57 G C -0.487 174.483 174.900 0.117 0.000 1.124 57 G CA -0.354 44.834 45.100 0.148 0.000 0.858 57 G HN 0.573 nan 8.290 nan 0.000 0.523 58 A N 0.496 123.392 122.820 0.126 0.000 2.566 58 A HA 0.577 4.897 4.320 -0.000 0.000 0.245 58 A C 1.768 179.421 177.584 0.116 0.000 1.056 58 A CA 1.905 54.009 52.037 0.112 0.000 0.757 58 A CB -0.226 18.866 19.000 0.153 0.000 0.979 58 A HN 1.973 nan 8.150 nan 0.000 0.508 59 T N 0.200 114.789 114.554 0.059 0.000 6.386 59 T HA -0.180 4.170 4.350 -0.000 0.000 0.278 59 T C 0.727 175.453 174.700 0.044 0.000 2.163 59 T CA 1.787 63.910 62.100 0.038 0.000 3.541 59 T CB -1.806 67.110 68.868 0.081 0.000 1.383 59 T HN 2.076 nan 8.240 nan 0.000 1.186 60 G N -0.335 108.501 108.800 0.061 0.000 2.714 60 G HA2 0.625 4.585 3.960 -0.000 0.000 0.292 60 G HA3 0.625 4.585 3.960 -0.000 0.000 0.292 60 G C -1.234 173.707 174.900 0.068 0.000 1.308 60 G CA -0.935 44.203 45.100 0.063 0.000 0.964 60 G HN 0.077 nan 8.290 nan 0.000 0.484 61 K N 2.184 122.633 120.400 0.081 0.000 2.349 61 K HA 0.268 4.588 4.320 -0.000 0.000 0.288 61 K C -1.760 174.912 176.600 0.120 0.000 1.058 61 K CA -1.302 55.035 56.287 0.084 0.000 0.953 61 K CB 1.130 33.678 32.500 0.080 0.000 0.997 61 K HN 0.382 nan 8.250 nan 0.000 0.477 62 P HA -0.072 nan 4.420 nan 0.000 0.269 62 P C 0.088 177.445 177.300 0.095 0.000 1.205 62 P CA -0.087 63.077 63.100 0.106 0.000 0.780 62 P CB 0.760 32.498 31.700 0.063 0.000 0.858 63 L N 0.608 121.879 121.223 0.080 0.000 3.202 63 L HA 0.121 4.461 4.340 -0.000 0.000 0.278 63 L C 0.559 177.413 176.870 -0.026 0.000 1.268 63 L CA -0.147 54.692 54.840 -0.002 0.000 1.034 63 L CB -0.052 41.957 42.059 -0.083 0.000 1.407 63 L HN 0.463 nan 8.230 nan 0.000 0.581 64 T N -3.277 111.277 114.554 -0.001 0.000 2.916 64 T HA 0.124 4.474 4.350 -0.000 0.000 0.303 64 T C -1.516 173.166 174.700 -0.030 0.000 1.025 64 T CA -1.268 60.823 62.100 -0.014 0.000 1.142 64 T CB 0.694 69.563 68.868 0.002 0.000 0.947 64 T HN -0.030 nan 8.240 nan 0.000 0.544 65 P HA -0.221 nan 4.420 nan 0.000 0.222 65 P C 1.193 178.469 177.300 -0.040 0.000 1.155 65 P CA 1.423 64.493 63.100 -0.049 0.000 0.890 65 P CB 0.081 31.754 31.700 -0.045 0.000 0.790 66 D N -1.266 119.117 120.400 -0.029 0.000 2.162 66 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 66 D C 1.809 178.096 176.300 -0.021 0.000 0.967 66 D CA 0.470 54.454 54.000 -0.026 0.000 0.840 66 D CB -0.690 40.096 40.800 -0.023 0.000 0.972 66 D HN 0.082 nan 8.370 nan 0.000 0.482 67 I N 0.374 120.937 120.570 -0.013 0.000 2.454 67 I HA -0.222 3.948 4.170 -0.000 0.000 0.254 67 I C 1.692 177.807 176.117 -0.002 0.000 1.156 67 I CA 1.702 62.999 61.300 -0.006 0.000 1.433 67 I CB -0.071 37.933 38.000 0.007 0.000 1.082 67 I HN 0.112 nan 8.210 nan 0.000 0.432 68 T N -2.497 112.053 114.554 -0.006 0.000 3.035 68 T HA -0.135 4.215 4.350 -0.000 0.000 0.259 68 T C 1.755 176.451 174.700 -0.006 0.000 1.078 68 T CA 0.693 62.793 62.100 0.001 0.000 1.132 68 T CB -0.189 68.668 68.868 -0.019 0.000 0.900 68 T HN 0.449 nan 8.240 nan 0.000 0.480 69 Q N 0.687 120.471 119.800 -0.027 0.000 2.230 69 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 69 Q C 2.444 178.426 176.000 -0.029 0.000 0.963 69 Q CA 0.859 56.640 55.803 -0.037 0.000 0.866 69 Q CB -0.115 28.593 28.738 -0.049 0.000 0.931 69 Q HN 0.687 nan 8.270 nan 0.000 0.452 70 Q N -0.442 119.340 119.800 -0.030 0.000 2.172 70 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 70 Q C 1.838 177.805 176.000 -0.055 0.000 0.964 70 Q CA 0.554 56.332 55.803 -0.041 0.000 0.855 70 Q CB 0.278 28.989 28.738 -0.044 0.000 0.918 70 Q HN 0.228 nan 8.270 nan 0.000 0.444 71 R N -0.130 120.351 120.500 -0.031 0.000 2.075 71 R HA 0.054 4.394 4.340 -0.000 0.000 0.232 71 R C 0.871 177.198 176.300 0.046 0.000 1.126 71 R CA 1.148 57.232 56.100 -0.026 0.000 0.963 71 R CB -0.689 29.703 30.300 0.153 0.000 0.858 71 R HN 0.362 nan 8.270 nan 0.000 0.435 72 G N 0.210 109.045 108.800 0.058 0.000 2.675 72 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 72 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 72 G C 0.160 175.104 174.900 0.073 0.000 1.215 72 G CA -0.110 45.023 45.100 0.054 0.000 0.777 72 G HN 0.234 nan 8.290 nan 0.000 0.638 73 Q N -0.131 119.689 119.800 0.033 0.000 2.297 73 Q HA -0.148 4.192 4.340 -0.000 0.000 0.208 73 Q C 2.348 178.374 176.000 0.044 0.000 0.981 73 Q CA 1.747 57.564 55.803 0.024 0.000 0.876 73 Q CB -0.009 28.731 28.738 0.004 0.000 0.921 73 Q HN 0.590 nan 8.270 nan 0.000 0.446 74 Q N -0.677 119.165 119.800 0.070 0.000 2.200 74 Q HA -0.056 4.284 4.340 -0.000 0.000 0.197 74 Q C 1.743 177.814 176.000 0.118 0.000 0.953 74 Q CA 0.921 56.773 55.803 0.082 0.000 0.851 74 Q CB -0.302 28.484 28.738 0.081 0.000 0.938 74 Q HN 0.478 nan 8.270 nan 0.000 0.488 75 Y N 1.481 121.793 120.300 0.019 0.000 2.242 75 Y HA -0.101 4.449 4.550 -0.000 0.000 0.291 75 Y C 2.054 177.972 175.900 0.030 0.000 1.137 75 Y CA 1.009 59.126 58.100 0.028 0.000 1.181 75 Y CB -0.093 38.378 38.460 0.018 0.000 0.989 75 Y HN -0.028 nan 8.280 nan 0.000 0.527 76 L N 0.069 121.333 121.223 0.070 0.000 2.083 76 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 76 L C 2.355 179.180 176.870 -0.075 0.000 1.083 76 L CA 1.566 56.393 54.840 -0.021 0.000 0.752 76 L CB -0.533 41.543 42.059 0.029 0.000 0.899 76 L HN 0.323 nan 8.230 nan 0.000 0.433 77 E N 0.171 120.347 120.200 -0.041 0.000 2.077 77 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 77 E C 2.294 178.840 176.600 -0.090 0.000 0.989 77 E CA 1.258 57.628 56.400 -0.050 0.000 0.800 77 E CB -0.117 29.574 29.700 -0.016 0.000 0.746 77 E HN 0.512 nan 8.360 nan 0.000 0.452 78 A N 1.623 124.398 122.820 -0.074 0.000 1.858 78 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 78 A C 2.240 179.790 177.584 -0.058 0.000 1.190 78 A CA 1.117 53.147 52.037 -0.011 0.000 0.617 78 A CB -0.788 18.207 19.000 -0.008 0.000 0.827 78 A HN 0.229 nan 8.150 nan 0.000 0.443 79 L N -0.418 120.644 121.223 -0.269 0.000 2.046 79 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 79 L C 2.341 179.143 176.870 -0.113 0.000 1.077 79 L CA 1.480 56.177 54.840 -0.238 0.000 0.747 79 L CB -0.216 41.600 42.059 -0.405 0.000 0.896 79 L HN 0.454 nan 8.230 nan 0.000 0.432 80 I N -1.176 119.322 120.570 -0.120 0.000 2.315 80 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 80 I C 2.232 178.269 176.117 -0.134 0.000 1.117 80 I CA 1.383 62.627 61.300 -0.094 0.000 1.404 80 I CB -0.532 37.422 38.000 -0.077 0.000 1.071 80 I HN 0.236 nan 8.210 nan 0.000 0.419 81 T N -0.194 114.222 114.554 -0.231 0.000 2.821 81 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 81 T C 1.306 175.690 174.700 -0.527 0.000 1.046 81 T CA 1.593 63.428 62.100 -0.443 0.000 1.139 81 T CB -0.203 68.247 68.868 -0.697 0.000 0.871 81 T HN 0.320 nan 8.240 nan 0.000 0.454 82 Y N 0.417 120.688 120.300 -0.048 0.000 2.430 82 Y HA 0.465 5.015 4.550 0.000 0.000 0.248 82 Y C 1.652 177.535 175.900 -0.028 0.000 1.108 82 Y CA -0.274 57.805 58.100 -0.034 0.000 1.264 82 Y CB -0.040 38.398 38.460 -0.036 0.000 1.172 82 Y HN 0.353 nan 8.280 nan 0.000 0.520 83 G N 0.974 109.819 108.800 0.075 0.000 2.698 83 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.233 83 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.233 83 G C -0.202 174.735 174.900 0.061 0.000 1.352 83 G CA -0.218 44.912 45.100 0.051 0.000 0.879 83 G HN 0.529 nan 8.290 nan 0.000 0.567 84 T N -2.614 111.973 114.554 0.055 0.000 2.883 84 T HA 0.781 5.131 4.350 -0.000 0.000 0.296 84 T C -1.889 172.843 174.700 0.054 0.000 1.117 84 T CA -0.423 61.711 62.100 0.056 0.000 1.006 84 T CB 2.733 71.638 68.868 0.062 0.000 1.191 84 T HN 0.687 nan 8.240 nan 0.000 0.508 85 P HA 0.258 nan 4.420 nan 0.000 0.249 85 P C 0.284 177.613 177.300 0.048 0.000 1.241 85 P CA 0.114 63.242 63.100 0.046 0.000 0.781 85 P CB -0.010 31.714 31.700 0.039 0.000 1.088 86 L N -0.811 120.444 121.223 0.053 0.000 3.110 86 L HA 0.504 4.844 4.340 -0.000 0.000 0.266 86 L C 0.912 177.820 176.870 0.063 0.000 1.257 86 L CA 0.126 55.000 54.840 0.056 0.000 1.038 86 L CB 0.253 42.346 42.059 0.056 0.000 1.395 86 L HN 0.041 nan 8.230 nan 0.000 0.566 87 G N -0.823 108.013 108.800 0.060 0.000 2.207 87 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.193 87 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.193 87 G C -0.156 174.770 174.900 0.042 0.000 1.050 87 G CA -0.688 44.448 45.100 0.060 0.000 0.780 87 G HN -0.040 nan 8.290 nan 0.000 0.504 97 L N 1.828 123.029 121.223 -0.037 0.000 2.362 97 L HA 0.618 4.958 4.340 -0.000 0.000 0.271 97 L C 0.136 176.979 176.870 -0.045 0.000 1.002 97 L CA -0.937 53.880 54.840 -0.038 0.000 0.818 97 L CB 1.901 43.935 42.059 -0.043 0.000 1.298 97 L HN 0.169 nan 8.230 nan 0.000 0.420 98 S N 1.094 116.771 115.700 -0.037 0.000 2.624 98 S HA 0.199 4.669 4.470 -0.000 0.000 0.263 98 S C 0.905 175.479 174.600 -0.044 0.000 1.287 98 S CA -0.584 57.594 58.200 -0.036 0.000 0.990 98 S CB 1.238 64.423 63.200 -0.026 0.000 0.950 98 S HN 0.555 nan 8.310 nan 0.000 0.561 99 K N 0.733 121.108 120.400 -0.041 0.000 2.152 99 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 99 K C 1.799 178.383 176.600 -0.027 0.000 1.048 99 K CA 1.597 57.859 56.287 -0.042 0.000 0.933 99 K CB -0.558 31.923 32.500 -0.032 0.000 0.721 99 K HN 0.722 nan 8.250 nan 0.000 0.447 100 E N 0.369 120.557 120.200 -0.020 0.000 2.072 100 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 100 E C 2.036 178.626 176.600 -0.018 0.000 0.982 100 E CA 1.022 57.415 56.400 -0.012 0.000 0.803 100 E CB -0.078 29.614 29.700 -0.012 0.000 0.755 100 E HN 0.327 nan 8.360 nan 0.000 0.453 101 Q N -0.262 119.521 119.800 -0.028 0.000 2.230 101 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 101 Q C 2.034 178.017 176.000 -0.028 0.000 0.963 101 Q CA 0.710 56.493 55.803 -0.035 0.000 0.866 101 Q CB 0.063 28.779 28.738 -0.036 0.000 0.931 101 Q HN 0.325 nan 8.270 nan 0.000 0.452 102 I N -0.098 120.453 120.570 -0.031 0.000 2.406 102 I HA -0.182 3.988 4.170 -0.000 0.000 0.249 102 I C 1.959 178.070 176.117 -0.010 0.000 1.122 102 I CA 0.952 62.231 61.300 -0.035 0.000 1.431 102 I CB -0.050 37.909 38.000 -0.069 0.000 1.087 102 I HN 0.132 nan 8.210 nan 0.000 0.424 103 T N 1.228 115.782 114.554 0.001 0.000 2.788 103 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 103 T C 1.824 176.569 174.700 0.075 0.000 1.044 103 T CA 1.118 63.236 62.100 0.029 0.000 1.139 103 T CB -0.251 68.634 68.868 0.029 0.000 0.867 103 T HN 0.092 nan 8.240 nan 0.000 0.454 104 L N 0.811 122.071 121.223 0.062 0.000 1.961 104 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 104 L C 2.462 179.433 176.870 0.169 0.000 1.072 104 L CA 1.691 56.584 54.840 0.088 0.000 0.749 104 L CB -0.614 41.416 42.059 -0.050 0.000 0.889 104 L HN 0.147 nan 8.230 nan 0.000 0.432 105 M N -0.977 118.667 119.600 0.072 0.000 2.195 105 M HA -0.227 4.253 4.480 -0.000 0.000 0.260 105 M C 2.321 178.675 176.300 0.090 0.000 1.066 105 M CA 1.905 57.251 55.300 0.076 0.000 1.089 105 M CB -1.658 30.955 32.600 0.023 0.000 1.377 105 M HN 0.433 nan 8.290 nan 0.000 0.411 106 A N 0.100 122.963 122.820 0.072 0.000 1.898 106 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 106 A C 2.230 179.841 177.584 0.046 0.000 1.181 106 A CA 1.509 53.572 52.037 0.042 0.000 0.620 106 A CB -0.399 18.616 19.000 0.025 0.000 0.819 106 A HN 0.516 nan 8.150 nan 0.000 0.442 107 K N -1.962 118.504 120.400 0.110 0.000 2.305 107 K HA 0.017 4.337 4.320 -0.000 0.000 0.199 107 K C 0.928 177.473 176.600 -0.090 0.000 1.047 107 K CA 0.921 57.218 56.287 0.016 0.000 0.976 107 K CB -0.072 32.495 32.500 0.112 0.000 0.765 107 K HN 0.591 nan 8.250 nan 0.000 0.474 108 Y N 0.500 120.857 120.300 0.095 0.000 2.457 108 Y HA 0.158 4.708 4.550 -0.000 0.000 0.263 108 Y C 1.629 177.562 175.900 0.056 0.000 1.164 108 Y CA -0.146 58.082 58.100 0.213 0.000 1.274 108 Y CB 0.053 38.608 38.460 0.158 0.000 1.097 108 Y HN 0.026 nan 8.280 nan 0.000 0.523 109 I N -3.293 117.306 120.570 0.048 0.000 3.783 109 I HA 0.059 4.229 4.170 -0.000 0.000 0.310 109 I C 1.259 177.321 176.117 -0.093 0.000 1.274 109 I CA 0.563 61.816 61.300 -0.080 0.000 1.294 109 I CB -0.115 37.821 38.000 -0.107 0.000 1.051 109 I HN 0.015 nan 8.210 nan 0.000 0.435 110 Q N 0.383 120.119 119.800 -0.107 0.000 2.425 110 Q HA 0.145 4.485 4.340 -0.000 0.000 0.204 110 Q C -0.021 175.842 176.000 -0.229 0.000 0.933 110 Q CA 0.233 55.933 55.803 -0.173 0.000 0.939 110 Q CB 0.103 28.706 28.738 -0.225 0.000 1.044 110 Q HN 0.642 nan 8.270 nan 0.000 0.513 111 H N -0.287 118.715 119.070 -0.113 0.000 2.499 111 H HA 0.157 4.713 4.556 -0.000 0.000 0.352 111 H C 0.056 175.369 175.328 -0.026 0.000 1.237 111 H CA -0.441 55.555 56.048 -0.086 0.000 1.343 111 H CB 0.980 30.699 29.762 -0.071 0.000 1.578 111 H HN -0.098 nan 8.280 nan 0.000 0.577 112 T N 3.972 118.641 114.554 0.193 0.000 2.946 112 T HA 0.008 4.358 4.350 -0.000 0.000 0.312 112 T C -2.171 172.610 174.700 0.135 0.000 1.066 112 T CA -0.866 61.298 62.100 0.106 0.000 1.138 112 T CB 0.068 68.974 68.868 0.062 0.000 1.014 112 T HN 0.423 nan 8.240 nan 0.000 0.544 113 P HA 0.240 nan 4.420 nan 0.000 0.271 113 P C -2.259 175.114 177.300 0.121 0.000 1.220 113 P CA -1.317 61.805 63.100 0.037 0.000 0.768 113 P CB -0.224 31.471 31.700 -0.008 0.000 0.848 114 P HA 0.112 nan 4.420 nan 0.000 0.274 114 P C 0.237 177.648 177.300 0.184 0.000 1.256 114 P CA -0.259 62.988 63.100 0.246 0.000 0.795 114 P CB 0.431 32.243 31.700 0.188 0.000 1.038 115 Q N -0.746 119.184 119.800 0.216 0.000 2.294 115 Q HA 0.183 4.523 4.340 -0.000 0.000 0.222 115 Q C -1.629 174.393 176.000 0.035 0.000 0.903 115 Q CA -1.256 54.628 55.803 0.134 0.000 0.966 115 Q CB -1.721 27.143 28.738 0.209 0.000 1.091 115 Q HN 0.245 nan 8.270 nan 0.000 0.438 116 P HA -0.184 nan 4.420 nan 0.000 0.242 116 P C -2.251 175.057 177.300 0.012 0.000 1.069 116 P CA -0.031 62.809 63.100 -0.435 0.000 0.793 116 P CB -0.205 30.785 31.700 -1.182 0.000 0.679 117 P HA -0.107 nan 4.420 nan 0.000 0.267 117 P C 0.500 178.001 177.300 0.335 0.000 1.195 117 P CA 0.501 63.684 63.100 0.138 0.000 0.773 117 P CB 0.786 32.520 31.700 0.055 0.000 0.837 118 E N 0.199 120.529 120.200 0.217 0.000 2.437 118 E HA -0.017 4.333 4.350 -0.000 0.000 0.189 118 E C 0.340 177.016 176.600 0.126 0.000 1.054 118 E CA -0.358 56.130 56.400 0.148 0.000 0.874 118 E CB -0.271 29.479 29.700 0.082 0.000 1.011 118 E HN 0.539 nan 8.360 nan 0.000 0.474 119 W N 2.252 123.536 121.300 -0.028 0.000 5.941 119 W HA -0.233 4.427 4.660 0.000 0.000 0.426 119 W C 0.541 177.019 176.519 -0.068 0.000 1.814 119 W CA 1.079 58.398 57.345 -0.043 0.000 0.935 119 W CB -0.767 28.667 29.460 -0.043 0.000 2.889 119 W HN 0.035 nan 8.180 nan 0.000 1.178 120 G N 3.086 111.773 108.800 -0.188 0.000 2.574 120 G HA2 0.272 4.232 3.960 -0.000 0.000 0.248 120 G HA3 0.272 4.232 3.960 -0.000 0.000 0.248 120 G C 0.418 175.192 174.900 -0.210 0.000 1.422 120 G CA 0.023 45.032 45.100 -0.152 0.000 1.051 120 G HN 0.337 nan 8.290 nan 0.000 0.560 121 M N 0.320 119.828 119.600 -0.154 0.000 2.175 121 M HA 0.112 4.592 4.480 -0.000 0.000 0.264 121 M C -0.447 175.760 176.300 -0.155 0.000 1.063 121 M CA 1.304 56.525 55.300 -0.132 0.000 1.119 121 M CB -0.910 31.632 32.600 -0.097 0.000 1.377 121 M HN 0.240 nan 8.290 nan 0.000 0.415 122 P HA -0.125 nan 4.420 nan 0.000 0.214 122 P C 0.884 178.036 177.300 -0.246 0.000 1.162 122 P CA 1.473 64.474 63.100 -0.164 0.000 0.879 122 P CB -0.065 31.544 31.700 -0.153 0.000 0.786 123 E N -1.347 118.575 120.200 -0.464 0.000 2.160 123 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 123 E C 2.008 178.202 176.600 -0.677 0.000 0.991 123 E CA 1.155 57.060 56.400 -0.825 0.000 0.810 123 E CB -0.629 28.122 29.700 -1.583 0.000 0.742 123 E HN 0.237 nan 8.360 nan 0.000 0.466 124 M N -0.493 118.860 119.600 -0.412 0.000 2.357 124 M HA -0.001 4.479 4.480 -0.000 0.000 0.266 124 M C 2.233 178.600 176.300 0.112 0.000 1.095 124 M CA 0.917 56.255 55.300 0.063 0.000 1.156 124 M CB 0.265 32.926 32.600 0.101 0.000 1.365 124 M HN -0.084 nan 8.290 nan 0.000 0.447 125 R N -0.071 120.452 120.500 0.039 0.000 2.153 125 R HA -0.092 4.248 4.340 -0.000 0.000 0.218 125 R C 1.509 177.938 176.300 0.215 0.000 1.072 125 R CA 0.968 57.154 56.100 0.143 0.000 0.990 125 R CB 0.167 30.513 30.300 0.077 0.000 0.889 125 R HN 0.324 nan 8.270 nan 0.000 0.452 126 E N 0.011 120.268 120.200 0.096 0.000 2.112 126 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 126 E C 1.823 178.495 176.600 0.120 0.000 0.979 126 E CA 1.369 57.815 56.400 0.077 0.000 0.814 126 E CB -0.056 29.646 29.700 0.003 0.000 0.762 126 E HN 0.338 nan 8.360 nan 0.000 0.460 127 S N -0.107 115.701 115.700 0.180 0.000 2.481 127 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 127 S C 0.672 175.418 174.600 0.244 0.000 0.996 127 S CA -0.183 58.155 58.200 0.231 0.000 0.942 127 S CB -0.500 62.921 63.200 0.369 0.000 0.768 127 S HN 0.285 nan 8.310 nan 0.000 0.520 128 W N 3.703 125.042 121.300 0.064 0.000 2.368 128 W HA 0.462 5.122 4.660 -0.000 0.000 0.316 128 W C -0.600 175.935 176.519 0.027 0.000 1.375 128 W CA -1.130 56.240 57.345 0.041 0.000 1.261 128 W CB 0.042 29.519 29.460 0.028 0.000 1.298 128 W HN 0.016 nan 8.180 nan 0.000 0.539 129 K N 5.430 125.685 120.400 -0.242 0.000 2.471 129 K HA 0.418 4.738 4.320 -0.000 0.000 0.252 129 K C -1.313 175.044 176.600 -0.405 0.000 0.938 129 K CA -1.052 55.025 56.287 -0.350 0.000 0.796 129 K CB 2.156 34.581 32.500 -0.125 0.000 1.161 129 K HN 0.113 nan 8.250 nan 0.000 0.425 130 V N 5.241 124.850 119.914 -0.509 0.000 2.320 130 V HA 0.122 4.242 4.120 -0.000 0.000 0.265 130 V C 1.206 177.202 176.094 -0.163 0.000 1.048 130 V CA -0.405 61.713 62.300 -0.305 0.000 0.865 130 V CB 0.269 31.893 31.823 -0.332 0.000 1.043 130 V HN 0.781 nan 8.190 nan 0.000 0.474 131 L N 4.053 125.225 121.223 -0.084 0.000 2.217 131 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 131 L C 0.323 177.179 176.870 -0.023 0.000 1.107 131 L CA 0.963 55.776 54.840 -0.045 0.000 0.783 131 L CB 0.102 42.152 42.059 -0.016 0.000 0.919 131 L HN 0.467 nan 8.230 nan 0.000 0.442 132 V N -0.506 119.402 119.914 -0.010 0.000 2.851 132 V HA 0.236 4.356 4.120 -0.000 0.000 0.307 132 V C -0.304 175.799 176.094 0.015 0.000 1.129 132 V CA -1.193 61.114 62.300 0.013 0.000 0.932 132 V CB 2.346 34.196 31.823 0.044 0.000 1.024 132 V HN 0.023 nan 8.190 nan 0.000 0.426 133 K N 3.772 124.181 120.400 0.015 0.000 2.168 133 K HA 0.289 4.609 4.320 -0.000 0.000 0.258 133 K C -1.744 174.883 176.600 0.046 0.000 1.010 133 K CA -1.386 54.914 56.287 0.022 0.000 0.929 133 K CB 1.019 33.528 32.500 0.016 0.000 0.998 133 K HN 0.336 nan 8.250 nan 0.000 0.479 134 P HA -0.194 nan 4.420 nan 0.000 0.220 134 P C 0.690 178.032 177.300 0.071 0.000 1.148 134 P CA 1.145 64.283 63.100 0.063 0.000 0.803 134 P CB 0.225 31.953 31.700 0.047 0.000 0.782 135 E N -0.698 119.535 120.200 0.055 0.000 2.170 135 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 135 E C 0.910 177.541 176.600 0.053 0.000 0.981 135 E CA 0.983 57.414 56.400 0.051 0.000 0.830 135 E CB -0.957 28.766 29.700 0.037 0.000 0.775 135 E HN 0.182 nan 8.360 nan 0.000 0.470 136 D N 1.270 121.700 120.400 0.050 0.000 2.219 136 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 136 D C 0.468 176.807 176.300 0.065 0.000 0.970 136 D CA 0.588 54.617 54.000 0.048 0.000 0.851 136 D CB -0.113 40.710 40.800 0.038 0.000 0.943 136 D HN 0.068 nan 8.370 nan 0.000 0.488 137 R N 1.484 122.036 120.500 0.087 0.000 2.590 137 R HA 0.166 4.506 4.340 -0.000 0.000 0.274 137 R C -2.010 174.363 176.300 0.122 0.000 1.061 137 R CA -1.035 55.136 56.100 0.118 0.000 1.081 137 R CB 0.143 30.539 30.300 0.161 0.000 0.984 137 R HN 0.112 nan 8.270 nan 0.000 0.448 138 P HA -0.005 nan 4.420 nan 0.000 0.270 138 P C -0.401 177.007 177.300 0.179 0.000 1.223 138 P CA -0.191 62.985 63.100 0.127 0.000 0.785 138 P CB 0.767 32.536 31.700 0.115 0.000 0.923 139 K N 0.559 121.025 120.400 0.110 0.000 2.243 139 K HA 0.107 4.427 4.320 -0.000 0.000 0.201 139 K C 0.888 177.516 176.600 0.047 0.000 1.051 139 K CA 1.038 57.395 56.287 0.116 0.000 0.970 139 K CB 0.169 32.699 32.500 0.049 0.000 0.755 139 K HN 0.470 nan 8.250 nan 0.000 0.465 140 K N -0.122 120.198 120.400 -0.133 0.000 2.499 140 K HA 0.174 4.494 4.320 -0.000 0.000 0.277 140 K C -0.922 175.349 176.600 -0.548 0.000 1.025 140 K CA -0.656 55.276 56.287 -0.590 0.000 0.900 140 K CB 2.228 34.444 32.500 -0.473 0.000 1.494 140 K HN -0.167 nan 8.250 nan 0.000 0.442 141 Q N 1.360 120.616 119.800 -0.908 0.000 2.333 141 Q HA -0.001 4.339 4.340 -0.000 0.000 0.299 141 Q C -0.335 175.534 176.000 -0.219 0.000 1.067 141 Q CA 0.613 56.093 55.803 -0.539 0.000 0.943 141 Q CB 0.371 28.774 28.738 -0.558 0.000 1.233 141 Q HN 0.424 nan 8.270 nan 0.000 0.401 142 L N 3.278 124.449 121.223 -0.086 0.000 3.066 142 L HA 0.309 4.649 4.340 -0.000 0.000 0.265 142 L C -0.849 176.010 176.870 -0.018 0.000 1.232 142 L CA -0.479 54.337 54.840 -0.041 0.000 1.031 142 L CB -0.290 41.768 42.059 -0.003 0.000 1.379 142 L HN 0.580 nan 8.230 nan 0.000 0.563 143 N N -3.492 115.194 118.700 -0.023 0.000 2.494 143 N HA 0.226 4.966 4.740 -0.000 0.000 0.270 143 N C -0.399 175.105 175.510 -0.010 0.000 1.285 143 N CA -0.812 52.237 53.050 -0.003 0.000 0.812 143 N CB 0.640 39.142 38.487 0.024 0.000 1.557 143 N HN -0.244 nan 8.380 nan 0.000 0.487 144 D N -0.065 120.336 120.400 0.001 0.000 2.363 144 D HA 0.099 4.739 4.640 -0.000 0.000 0.226 144 D C 0.025 176.333 176.300 0.013 0.000 1.020 144 D CA 0.278 54.279 54.000 0.001 0.000 0.892 144 D CB -0.120 40.683 40.800 0.005 0.000 0.900 144 D HN 0.431 nan 8.370 nan 0.000 0.531 145 L N 1.247 122.485 121.223 0.025 0.000 2.513 145 L HA -0.010 4.330 4.340 -0.000 0.000 0.272 145 L C 0.805 177.700 176.870 0.042 0.000 1.187 145 L CA -0.043 54.821 54.840 0.040 0.000 0.895 145 L CB 0.342 42.433 42.059 0.054 0.000 1.147 145 L HN -0.212 nan 8.230 nan 0.000 0.483 146 D N 3.940 124.365 120.400 0.043 0.000 2.551 146 D HA 0.111 4.751 4.640 -0.000 0.000 0.223 146 D C 1.205 177.534 176.300 0.049 0.000 1.144 146 D CA 0.013 54.036 54.000 0.039 0.000 1.025 146 D CB 0.420 41.241 40.800 0.035 0.000 1.085 146 D HN 0.414 nan 8.370 nan 0.000 0.506 147 L N 2.750 124.014 121.223 0.068 0.000 2.051 147 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 147 L C -0.476 176.435 176.870 0.068 0.000 1.076 147 L CA 1.285 56.173 54.840 0.081 0.000 0.758 147 L CB -1.389 40.750 42.059 0.134 0.000 0.890 147 L HN 0.319 nan 8.230 nan 0.000 0.433 148 P HA -0.116 nan 4.420 nan 0.000 0.225 148 P C 0.313 177.632 177.300 0.032 0.000 1.148 148 P CA 1.197 64.366 63.100 0.115 0.000 0.779 148 P CB -0.010 31.764 31.700 0.123 0.000 0.780 149 N N -0.929 117.765 118.700 -0.010 0.000 2.610 149 N HA 0.229 4.969 4.740 -0.000 0.000 0.309 149 N C -1.004 174.479 175.510 -0.045 0.000 1.536 149 N CA -0.189 52.831 53.050 -0.050 0.000 0.954 149 N CB -0.229 38.263 38.487 0.008 0.000 1.310 149 N HN -0.131 nan 8.380 nan 0.000 0.502 150 L N 0.566 121.723 121.223 -0.109 0.000 2.334 150 L HA 0.600 4.940 4.340 -0.000 0.000 0.273 150 L C -1.138 175.594 176.870 -0.230 0.000 1.013 150 L CA -0.552 54.260 54.840 -0.047 0.000 0.816 150 L CB 1.018 43.077 42.059 0.000 0.000 1.278 150 L HN 0.048 nan 8.230 nan 0.000 0.431 151 F N 1.237 121.084 119.950 -0.172 0.000 2.426 151 F HA 0.375 4.903 4.527 0.000 0.000 0.348 151 F C 0.423 176.179 175.800 -0.074 0.000 1.124 151 F CA -0.368 57.508 58.000 -0.207 0.000 1.008 151 F CB 1.958 40.692 39.000 -0.445 0.000 1.139 151 F HN 0.287 nan 8.300 nan 0.000 0.452 152 S N 3.983 119.749 115.700 0.110 0.000 2.464 152 S HA 0.503 4.973 4.470 -0.000 0.000 0.313 152 S C -0.695 174.012 174.600 0.178 0.000 1.078 152 S CA -0.527 57.749 58.200 0.127 0.000 1.096 152 S CB -0.272 62.988 63.200 0.101 0.000 1.032 152 S HN 0.341 nan 8.310 nan 0.000 0.498 153 V N 5.508 125.501 119.914 0.131 0.000 2.407 153 V HA 0.335 4.455 4.120 -0.000 0.000 0.278 153 V C 0.715 176.842 176.094 0.054 0.000 1.037 153 V CA -0.690 61.664 62.300 0.090 0.000 0.900 153 V CB 1.415 33.288 31.823 0.084 0.000 0.983 153 V HN 0.736 nan 8.190 nan 0.000 0.459 154 T N 6.824 121.390 114.554 0.019 0.000 2.832 154 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 154 T C 0.097 174.761 174.700 -0.060 0.000 0.968 154 T CA -0.048 62.036 62.100 -0.027 0.000 1.107 154 T CB 0.287 69.112 68.868 -0.072 0.000 0.916 154 T HN 0.445 nan 8.240 nan 0.000 0.517 155 L N 4.144 125.342 121.223 -0.042 0.000 2.506 155 L HA 0.418 4.758 4.340 -0.000 0.000 0.247 155 L C 1.742 178.581 176.870 -0.052 0.000 1.141 155 L CA -0.728 54.099 54.840 -0.023 0.000 0.973 155 L CB 0.214 42.283 42.059 0.017 0.000 1.319 155 L HN 0.648 nan 8.230 nan 0.000 0.455 156 R N 1.329 121.767 120.500 -0.104 0.000 2.292 156 R HA -0.265 4.075 4.340 -0.000 0.000 0.223 156 R C 1.055 177.239 176.300 -0.195 0.000 1.088 156 R CA 2.888 58.889 56.100 -0.166 0.000 0.849 156 R CB 0.003 30.232 30.300 -0.117 0.000 0.852 156 R HN 0.562 nan 8.270 nan 0.000 0.424 157 D N -0.562 119.836 120.400 -0.003 0.000 2.265 157 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 157 D C 1.433 177.843 176.300 0.183 0.000 0.977 157 D CA 1.371 55.451 54.000 0.132 0.000 0.871 157 D CB -0.037 40.880 40.800 0.196 0.000 0.925 157 D HN 0.502 nan 8.370 nan 0.000 0.485 158 A N -0.185 122.693 122.820 0.097 0.000 2.030 158 A HA 0.402 4.722 4.320 -0.000 0.000 0.215 158 A C 1.883 179.532 177.584 0.108 0.000 1.164 158 A CA 0.885 52.984 52.037 0.104 0.000 0.697 158 A CB -0.342 18.701 19.000 0.073 0.000 0.827 158 A HN 0.241 nan 8.150 nan 0.000 0.457 159 G N -0.879 107.958 108.800 0.060 0.000 2.225 159 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.264 159 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.264 159 G C -0.147 174.783 174.900 0.050 0.000 1.060 159 G CA 0.636 45.778 45.100 0.070 0.000 0.833 159 G HN 0.688 nan 8.290 nan 0.000 0.498 160 Q N -1.464 118.352 119.800 0.026 0.000 2.615 160 Q HA 0.768 5.108 4.340 -0.000 0.000 0.298 160 Q C -0.057 175.954 176.000 0.019 0.000 1.023 160 Q CA -0.927 54.894 55.803 0.029 0.000 0.768 160 Q CB 2.126 30.888 28.738 0.040 0.000 1.500 160 Q HN 0.797 nan 8.270 nan 0.000 0.441 161 I N -2.166 118.420 120.570 0.027 0.000 2.608 161 I HA 0.924 5.094 4.170 -0.000 0.000 0.295 161 I C -1.098 175.046 176.117 0.045 0.000 1.049 161 I CA -0.989 60.330 61.300 0.032 0.000 1.063 161 I CB 2.129 40.148 38.000 0.031 0.000 1.248 161 I HN 0.524 nan 8.210 nan 0.000 0.424 162 A N 6.795 129.648 122.820 0.056 0.000 2.271 162 A HA 0.672 4.992 4.320 -0.000 0.000 0.317 162 A C -0.423 177.210 177.584 0.081 0.000 1.245 162 A CA -0.574 51.502 52.037 0.067 0.000 0.857 162 A CB 0.723 19.765 19.000 0.070 0.000 1.175 162 A HN 0.845 nan 8.150 nan 0.000 0.512 163 L N 4.329 125.598 121.223 0.077 0.000 2.389 163 L HA 0.189 4.529 4.340 -0.000 0.000 0.265 163 L C -0.497 176.434 176.870 0.102 0.000 1.167 163 L CA -0.364 54.526 54.840 0.083 0.000 1.045 163 L CB 0.197 42.295 42.059 0.065 0.000 1.351 163 L HN 0.482 nan 8.230 nan 0.000 0.419 164 V N 1.243 121.236 119.914 0.132 0.000 2.583 164 V HA 0.063 4.183 4.120 -0.000 0.000 0.287 164 V C 0.209 176.406 176.094 0.172 0.000 1.051 164 V CA -0.517 61.877 62.300 0.156 0.000 1.010 164 V CB 1.811 33.745 31.823 0.186 0.000 0.988 164 V HN 0.544 nan 8.190 nan 0.000 0.478 165 D N 2.853 123.360 120.400 0.178 0.000 2.255 165 D HA 0.439 5.079 4.640 -0.000 0.000 0.249 165 D C 1.132 177.591 176.300 0.264 0.000 1.078 165 D CA 0.347 54.457 54.000 0.183 0.000 0.896 165 D CB 1.646 42.532 40.800 0.143 0.000 1.194 165 D HN 0.608 nan 8.370 nan 0.000 0.429 166 G N 2.171 111.131 108.800 0.267 0.000 2.623 166 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.214 166 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.214 166 G C 0.770 175.905 174.900 0.393 0.000 1.138 166 G CA 0.237 45.561 45.100 0.373 0.000 0.794 166 G HN 0.522 nan 8.290 nan 0.000 0.535 167 D N 0.421 120.967 120.400 0.243 0.000 2.566 167 D HA -0.037 4.603 4.640 -0.000 0.000 0.253 167 D C 2.732 179.109 176.300 0.129 0.000 0.992 167 D CA 1.239 55.340 54.000 0.168 0.000 0.940 167 D CB -0.110 40.757 40.800 0.112 0.000 1.095 167 D HN 0.396 nan 8.370 nan 0.000 0.480 168 S N 0.383 116.155 115.700 0.120 0.000 2.527 168 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 168 S C 0.801 175.452 174.600 0.085 0.000 0.985 168 S CA 0.157 58.407 58.200 0.084 0.000 0.921 168 S CB 0.162 63.405 63.200 0.071 0.000 0.772 168 S HN -0.061 nan 8.310 nan 0.000 0.529 169 K N 0.595 121.082 120.400 0.146 0.000 3.071 169 K HA -0.094 4.226 4.320 -0.000 0.000 0.265 169 K C -0.966 175.695 176.600 0.102 0.000 1.060 169 K CA 0.783 57.154 56.287 0.140 0.000 0.767 169 K CB -1.348 31.143 32.500 -0.015 0.000 1.241 169 K HN 0.378 nan 8.250 nan 0.000 0.486 170 K N 0.195 120.665 120.400 0.116 0.000 2.324 170 K HA 0.399 4.719 4.320 -0.000 0.000 0.253 170 K C 0.201 176.861 176.600 0.099 0.000 0.932 170 K CA -0.792 55.546 56.287 0.086 0.000 0.799 170 K CB 1.309 33.848 32.500 0.064 0.000 1.154 170 K HN 0.081 nan 8.250 nan 0.000 0.425 171 I N 3.084 123.704 120.570 0.085 0.000 2.505 171 I HA -0.086 4.084 4.170 -0.000 0.000 0.287 171 I C 1.567 177.726 176.117 0.070 0.000 1.104 171 I CA -0.115 61.235 61.300 0.083 0.000 1.387 171 I CB 0.372 38.414 38.000 0.071 0.000 1.404 171 I HN 0.297 nan 8.210 nan 0.000 0.528 172 V N 4.672 124.630 119.914 0.074 0.000 2.535 172 V HA -0.006 4.114 4.120 -0.000 0.000 0.246 172 V C 0.628 176.755 176.094 0.055 0.000 1.045 172 V CA 1.197 63.535 62.300 0.063 0.000 1.058 172 V CB -0.616 31.246 31.823 0.065 0.000 0.689 172 V HN 0.759 nan 8.190 nan 0.000 0.461 173 K N -0.311 120.123 120.400 0.057 0.000 2.557 173 K HA 0.501 4.821 4.320 -0.000 0.000 0.257 173 K C -1.714 174.917 176.600 0.052 0.000 0.933 173 K CA -0.328 55.989 56.287 0.051 0.000 0.820 173 K CB 2.203 34.732 32.500 0.049 0.000 1.330 173 K HN -0.134 nan 8.250 nan 0.000 0.432 174 V N 5.665 125.608 119.914 0.047 0.000 2.328 174 V HA 0.525 4.645 4.120 -0.000 0.000 0.278 174 V C -0.067 176.052 176.094 0.043 0.000 1.021 174 V CA -0.616 61.712 62.300 0.046 0.000 0.838 174 V CB 0.775 32.625 31.823 0.045 0.000 0.999 174 V HN 0.629 nan 8.190 nan 0.000 0.447 175 I N 3.450 124.045 120.570 0.041 0.000 2.412 175 I HA 0.379 4.549 4.170 -0.000 0.000 0.296 175 I C -0.349 175.790 176.117 0.038 0.000 0.987 175 I CA -0.582 60.741 61.300 0.039 0.000 1.180 175 I CB 1.764 39.786 38.000 0.037 0.000 1.340 175 I HN 0.554 nan 8.210 nan 0.000 0.455 176 D N 4.613 125.035 120.400 0.038 0.000 2.338 176 D HA 0.257 4.897 4.640 -0.000 0.000 0.255 176 D C 0.366 176.689 176.300 0.039 0.000 1.237 176 D CA 0.093 54.117 54.000 0.040 0.000 0.883 176 D CB 0.810 41.635 40.800 0.040 0.000 1.087 176 D HN 0.626 nan 8.370 nan 0.000 0.485 177 T N -1.006 113.572 114.554 0.040 0.000 2.644 177 T HA 0.718 5.068 4.350 -0.000 0.000 0.253 177 T C 0.813 175.544 174.700 0.051 0.000 0.910 177 T CA -0.970 61.152 62.100 0.037 0.000 1.066 177 T CB 0.596 69.477 68.868 0.022 0.000 1.484 177 T HN 0.218 nan 8.240 nan 0.000 0.560 178 G N -0.961 107.868 108.800 0.048 0.000 2.557 178 G HA2 0.450 4.410 3.960 -0.000 0.000 0.292 178 G HA3 0.450 4.410 3.960 -0.000 0.000 0.292 178 G C -1.273 173.692 174.900 0.109 0.000 1.237 178 G CA -0.722 44.424 45.100 0.075 0.000 0.978 178 G HN 0.661 nan 8.290 nan 0.000 0.498 179 Y N 0.614 120.921 120.300 0.011 0.000 2.425 179 Y HA 0.333 4.883 4.550 -0.000 0.000 0.331 179 Y C 0.933 176.851 175.900 0.030 0.000 1.157 179 Y CA 0.159 58.272 58.100 0.020 0.000 1.372 179 Y CB 0.546 39.016 38.460 0.016 0.000 1.253 179 Y HN 1.201 nan 8.280 nan 0.000 0.536 180 A N 3.972 126.396 122.820 -0.660 0.000 2.312 180 A HA -0.176 4.144 4.320 -0.000 0.000 0.286 180 A C 0.029 177.504 177.584 -0.182 0.000 1.425 180 A CA 0.641 52.376 52.037 -0.503 0.000 0.748 180 A CB -2.534 16.086 19.000 -0.634 0.000 1.126 180 A HN 0.707 nan 8.150 nan 0.000 0.368 181 V N 2.891 122.731 119.914 -0.124 0.000 2.568 181 V HA -0.119 4.001 4.120 -0.000 0.000 0.270 181 V C 1.790 177.849 176.094 -0.058 0.000 0.963 181 V CA 1.408 63.673 62.300 -0.059 0.000 1.161 181 V CB -0.774 31.020 31.823 -0.047 0.000 0.969 181 V HN 0.825 nan 8.190 nan 0.000 0.464 182 H N 4.711 123.735 119.070 -0.076 0.000 2.256 182 H HA 0.021 4.577 4.556 0.000 0.000 0.299 182 H C 0.919 176.252 175.328 0.008 0.000 1.071 182 H CA 2.353 58.374 56.048 -0.045 0.000 1.280 182 H CB 0.268 29.990 29.762 -0.067 0.000 1.370 182 H HN 0.744 nan 8.280 nan 0.000 0.490 183 I N -2.925 117.665 120.570 0.033 0.000 3.108 183 I HA 0.570 4.740 4.170 -0.000 0.000 0.312 183 I C -0.927 174.926 176.117 -0.441 0.000 1.095 183 I CA -0.985 60.206 61.300 -0.182 0.000 1.000 183 I CB 2.782 40.681 38.000 -0.167 0.000 1.229 183 I HN -0.137 nan 8.210 nan 0.000 0.454 184 S N 1.800 116.857 115.700 -1.071 0.000 2.594 184 S HA 0.611 5.081 4.470 -0.000 0.000 0.296 184 S C -0.715 173.422 174.600 -0.772 0.000 1.124 184 S CA -0.790 56.957 58.200 -0.756 0.000 1.011 184 S CB 1.610 64.469 63.200 -0.568 0.000 1.016 184 S HN 0.553 nan 8.310 nan 0.000 0.485 185 R N 1.732 121.998 120.500 -0.390 0.000 2.670 185 R HA 0.554 4.894 4.340 -0.000 0.000 0.289 185 R C -0.897 175.309 176.300 -0.156 0.000 0.965 185 R CA -0.887 55.057 56.100 -0.259 0.000 0.899 185 R CB 1.235 31.421 30.300 -0.190 0.000 1.173 185 R HN 0.393 nan 8.270 nan 0.000 0.456 186 M N 1.523 121.056 119.600 -0.112 0.000 2.318 186 M HA 0.189 4.669 4.480 -0.000 0.000 0.347 186 M C 0.180 176.442 176.300 -0.064 0.000 1.175 186 M CA -0.545 54.708 55.300 -0.079 0.000 1.075 186 M CB 1.568 34.122 32.600 -0.077 0.000 1.614 186 M HN 0.608 nan 8.290 nan 0.000 0.456 187 S N 1.496 117.171 115.700 -0.041 0.000 2.455 187 S HA 0.378 4.848 4.470 -0.000 0.000 0.278 187 S C 1.318 175.882 174.600 -0.059 0.000 1.216 187 S CA -0.171 58.015 58.200 -0.023 0.000 1.055 187 S CB 0.513 63.748 63.200 0.057 0.000 0.939 187 S HN 0.777 nan 8.310 nan 0.000 0.494 188 A N 4.142 126.921 122.820 -0.068 0.000 2.054 188 A HA -0.279 4.041 4.320 -0.000 0.000 0.225 188 A C 2.486 180.003 177.584 -0.111 0.000 1.209 188 A CA 2.702 54.678 52.037 -0.103 0.000 0.678 188 A CB -1.896 17.057 19.000 -0.077 0.000 0.823 188 A HN 1.522 nan 8.150 nan 0.000 0.484 189 S N -2.152 113.500 115.700 -0.081 0.000 2.382 189 S HA 0.247 4.718 4.470 -0.000 0.000 0.228 189 S C 1.759 176.308 174.600 -0.084 0.000 1.027 189 S CA 1.477 59.630 58.200 -0.078 0.000 0.991 189 S CB -0.732 62.404 63.200 -0.108 0.000 0.823 189 S HN 2.225 nan 8.310 nan 0.000 0.469 190 G N 1.024 109.750 108.800 -0.123 0.000 2.148 190 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.203 190 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.203 190 G C 0.666 175.443 174.900 -0.204 0.000 0.993 190 G CA 0.345 45.389 45.100 -0.093 0.000 0.661 190 G HN 0.597 nan 8.290 nan 0.000 0.518 191 R N -1.051 119.197 120.500 -0.421 0.000 2.084 191 R HA 0.345 4.685 4.340 -0.000 0.000 0.209 191 R C 0.398 176.289 176.300 -0.681 0.000 1.173 191 R CA 0.239 55.818 56.100 -0.868 0.000 1.053 191 R CB 0.184 29.574 30.300 -1.516 0.000 0.948 191 R HN 0.308 nan 8.270 nan 0.000 0.460 192 Y N 0.929 121.060 120.300 -0.282 0.000 2.320 192 Y HA 0.350 4.900 4.550 -0.000 0.000 0.324 192 Y C -0.089 175.731 175.900 -0.134 0.000 1.190 192 Y CA -0.561 57.429 58.100 -0.183 0.000 1.215 192 Y CB 1.108 39.475 38.460 -0.155 0.000 1.221 192 Y HN 0.060 nan 8.280 nan 0.000 0.486 193 L N 4.752 126.014 121.223 0.064 0.000 2.294 193 L HA 0.471 4.811 4.340 -0.000 0.000 0.283 193 L C -1.387 175.478 176.870 -0.009 0.000 1.015 193 L CA -0.590 54.249 54.840 -0.002 0.000 0.831 193 L CB 0.592 42.643 42.059 -0.013 0.000 1.217 193 L HN 0.603 nan 8.230 nan 0.000 0.420 194 L N 5.893 127.086 121.223 -0.051 0.000 2.275 194 L HA 0.518 4.858 4.340 -0.000 0.000 0.288 194 L C -0.424 176.382 176.870 -0.107 0.000 1.046 194 L CA -0.701 54.097 54.840 -0.070 0.000 0.805 194 L CB 1.704 43.711 42.059 -0.086 0.000 1.193 194 L HN 0.381 nan 8.230 nan 0.000 0.426 195 V N 2.401 122.266 119.914 -0.081 0.000 2.638 195 V HA 0.613 4.733 4.120 -0.000 0.000 0.306 195 V C -0.657 175.397 176.094 -0.067 0.000 1.052 195 V CA -0.690 61.557 62.300 -0.089 0.000 0.885 195 V CB 2.026 33.816 31.823 -0.055 0.000 0.999 195 V HN 0.660 nan 8.190 nan 0.000 0.424 196 I N 3.506 124.032 120.570 -0.074 0.000 2.465 196 I HA 0.850 5.020 4.170 -0.000 0.000 0.291 196 I C 0.724 176.823 176.117 -0.029 0.000 1.014 196 I CA -0.296 60.972 61.300 -0.053 0.000 1.093 196 I CB 1.618 39.575 38.000 -0.072 0.000 1.267 196 I HN 0.959 nan 8.210 nan 0.000 0.431 197 G N 4.998 113.789 108.800 -0.016 0.000 2.537 197 G HA2 0.242 4.202 3.960 -0.000 0.000 0.273 197 G HA3 0.242 4.202 3.960 -0.000 0.000 0.273 197 G C 0.551 175.455 174.900 0.008 0.000 1.189 197 G CA -0.722 44.381 45.100 0.006 0.000 0.881 197 G HN 0.865 nan 8.290 nan 0.000 0.535 198 R N -0.785 119.738 120.500 0.039 0.000 2.307 198 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 198 R C 0.662 176.997 176.300 0.058 0.000 1.000 198 R CA 1.287 57.407 56.100 0.035 0.000 1.023 198 R CB 0.107 30.460 30.300 0.088 0.000 0.908 198 R HN 0.490 nan 8.270 nan 0.000 0.473 199 D N 0.508 120.954 120.400 0.076 0.000 2.325 199 D HA 0.094 4.734 4.640 -0.000 0.000 0.225 199 D C 0.499 176.768 176.300 -0.051 0.000 1.096 199 D CA 0.344 54.371 54.000 0.046 0.000 0.844 199 D CB 0.569 41.421 40.800 0.088 0.000 0.925 199 D HN 0.274 nan 8.370 nan 0.000 0.513 200 A N 0.649 123.432 122.820 -0.060 0.000 2.887 200 A HA -0.277 4.043 4.320 -0.000 0.000 0.257 200 A C 0.571 178.096 177.584 -0.098 0.000 1.372 200 A CA 0.863 52.834 52.037 -0.111 0.000 0.879 200 A CB -2.451 16.432 19.000 -0.195 0.000 1.082 200 A HN 0.461 nan 8.150 nan 0.000 0.703 201 R N 0.215 120.687 120.500 -0.048 0.000 2.198 201 R HA 0.616 4.955 4.340 -0.000 0.000 0.339 201 R C -0.181 176.116 176.300 -0.005 0.000 1.020 201 R CA -0.517 55.574 56.100 -0.015 0.000 0.864 201 R CB 0.178 30.484 30.300 0.011 0.000 1.105 201 R HN 0.528 nan 8.270 nan 0.000 0.463 202 I N 3.138 123.709 120.570 0.001 0.000 2.499 202 I HA 0.254 4.424 4.170 -0.000 0.000 0.296 202 I C -0.502 175.625 176.117 0.018 0.000 0.992 202 I CA -0.371 60.926 61.300 -0.005 0.000 1.297 202 I CB 1.723 39.715 38.000 -0.012 0.000 1.410 202 I HN 0.556 nan 8.210 nan 0.000 0.507 203 D N 5.002 125.406 120.400 0.007 0.000 2.936 203 D HA 0.401 5.041 4.640 -0.000 0.000 0.238 203 D C -0.820 175.485 176.300 0.009 0.000 1.248 203 D CA -0.464 53.547 54.000 0.019 0.000 0.903 203 D CB 2.075 42.887 40.800 0.021 0.000 1.544 203 D HN 0.374 nan 8.370 nan 0.000 0.543 204 M N 3.116 122.726 119.600 0.016 0.000 2.264 204 M HA 0.559 5.039 4.480 -0.000 0.000 0.352 204 M C -1.529 174.805 176.300 0.056 0.000 1.173 204 M CA -0.380 54.928 55.300 0.012 0.000 1.075 204 M CB 0.762 33.338 32.600 -0.041 0.000 1.621 204 M HN 0.393 nan 8.290 nan 0.000 0.457 205 I N 3.453 124.076 120.570 0.089 0.000 2.465 205 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 205 I C -0.908 175.296 176.117 0.146 0.000 1.014 205 I CA -0.754 60.605 61.300 0.098 0.000 1.093 205 I CB 1.957 39.988 38.000 0.052 0.000 1.267 205 I HN 0.556 nan 8.210 nan 0.000 0.431 206 D N 6.022 126.501 120.400 0.131 0.000 2.280 206 D HA 0.283 4.923 4.640 -0.000 0.000 0.243 206 D C 0.483 176.767 176.300 -0.027 0.000 1.129 206 D CA -0.008 54.001 54.000 0.015 0.000 0.848 206 D CB 1.365 42.209 40.800 0.074 0.000 1.107 206 D HN 0.431 nan 8.370 nan 0.000 0.471 207 L N 2.906 124.056 121.223 -0.121 0.000 2.592 207 L HA 0.109 4.449 4.340 -0.000 0.000 0.227 207 L C 0.960 177.943 176.870 0.187 0.000 1.127 207 L CA -0.158 54.685 54.840 0.005 0.000 0.884 207 L CB 0.146 42.192 42.059 -0.021 0.000 1.065 207 L HN 0.480 nan 8.230 nan 0.000 0.457 208 W N 0.705 121.941 121.300 -0.107 0.000 3.197 208 W HA 0.303 4.963 4.660 -0.000 0.000 0.274 208 W C 1.289 177.781 176.519 -0.045 0.000 1.297 208 W CA -1.061 56.234 57.345 -0.084 0.000 1.662 208 W CB -0.372 29.016 29.460 -0.120 0.000 1.106 208 W HN -0.069 nan 8.180 nan 0.000 0.663 209 A N 0.922 123.845 122.820 0.171 0.000 2.366 209 A HA 0.164 4.484 4.320 -0.000 0.000 0.249 209 A C 1.699 179.329 177.584 0.077 0.000 1.084 209 A CA -0.120 51.981 52.037 0.107 0.000 0.794 209 A CB 0.631 19.684 19.000 0.087 0.000 1.034 209 A HN -0.032 nan 8.150 nan 0.000 0.491 210 K N 0.165 120.598 120.400 0.054 0.000 2.034 210 K HA -0.163 4.157 4.320 -0.000 0.000 0.214 210 K C 0.569 177.193 176.600 0.041 0.000 1.051 210 K CA 1.964 58.274 56.287 0.038 0.000 0.931 210 K CB -0.008 32.510 32.500 0.030 0.000 0.715 210 K HN 0.830 nan 8.250 nan 0.000 0.446 211 E N 0.987 121.214 120.200 0.045 0.000 2.235 211 E HA 0.182 4.532 4.350 -0.000 0.000 0.252 211 E C -2.602 174.029 176.600 0.051 0.000 0.886 211 E CA -2.271 54.155 56.400 0.044 0.000 0.767 211 E CB 1.557 31.280 29.700 0.038 0.000 1.205 211 E HN -0.099 nan 8.360 nan 0.000 0.421 212 P HA -0.016 nan 4.420 nan 0.000 0.256 212 P C -0.848 176.483 177.300 0.051 0.000 1.189 212 P CA 0.303 63.437 63.100 0.057 0.000 0.808 212 P CB 0.544 32.278 31.700 0.055 0.000 0.793 213 T N 2.499 117.085 114.554 0.054 0.000 2.887 213 T HA 0.303 4.653 4.350 -0.000 0.000 0.292 213 T C -0.138 174.596 174.700 0.056 0.000 1.087 213 T CA -1.049 61.081 62.100 0.050 0.000 1.009 213 T CB 1.341 70.235 68.868 0.044 0.000 1.203 213 T HN 0.151 nan 8.240 nan 0.000 0.518 214 K N 1.713 122.142 120.400 0.048 0.000 2.453 214 K HA 0.169 4.489 4.320 -0.000 0.000 0.280 214 K C 1.119 177.748 176.600 0.049 0.000 1.045 214 K CA -0.113 56.203 56.287 0.048 0.000 1.059 214 K CB 0.247 32.769 32.500 0.037 0.000 0.901 214 K HN 0.461 nan 8.250 nan 0.000 0.475 215 V N -0.444 119.507 119.914 0.061 0.000 3.643 215 V HA 0.457 4.577 4.120 -0.000 0.000 0.280 215 V C 0.243 176.355 176.094 0.030 0.000 1.351 215 V CA 0.201 62.536 62.300 0.058 0.000 1.073 215 V CB 0.030 31.918 31.823 0.109 0.000 0.863 215 V HN 0.667 nan 8.190 nan 0.000 0.436 216 A N 0.885 123.724 122.820 0.032 0.000 2.583 216 A HA 0.719 5.039 4.320 -0.000 0.000 0.298 216 A C -0.926 176.697 177.584 0.066 0.000 1.055 216 A CA -0.034 52.032 52.037 0.049 0.000 0.714 216 A CB 1.295 20.341 19.000 0.078 0.000 1.277 216 A HN 0.746 nan 8.150 nan 0.000 0.406 217 E N 0.923 121.180 120.200 0.095 0.000 2.429 217 E HA 0.890 5.240 4.350 -0.000 0.000 0.276 217 E C -1.106 175.603 176.600 0.183 0.000 0.953 217 E CA -0.814 55.648 56.400 0.104 0.000 0.787 217 E CB 2.194 31.933 29.700 0.065 0.000 1.307 217 E HN 1.373 nan 8.360 nan 0.000 0.458 218 I N 0.075 120.738 120.570 0.156 0.000 2.763 218 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 218 I C -2.126 174.069 176.117 0.130 0.000 1.610 218 I CA -0.652 60.765 61.300 0.195 0.000 1.002 218 I CB 1.977 40.111 38.000 0.223 0.000 1.416 218 I HN 0.683 nan 8.210 nan 0.000 0.479 219 K N 6.597 127.102 120.400 0.175 0.000 2.316 219 K HA 0.451 4.771 4.320 -0.000 0.000 0.267 219 K C 0.285 176.942 176.600 0.095 0.000 1.025 219 K CA -0.554 55.770 56.287 0.061 0.000 0.896 219 K CB 0.990 33.509 32.500 0.033 0.000 1.124 219 K HN 0.611 nan 8.250 nan 0.000 0.451 220 I N 0.464 120.996 120.570 -0.064 0.000 3.883 220 I HA 0.409 4.579 4.170 -0.000 0.000 0.326 220 I C 0.456 176.424 176.117 -0.248 0.000 1.283 220 I CA -0.120 61.165 61.300 -0.025 0.000 1.161 220 I CB 0.783 38.778 38.000 -0.008 0.000 1.012 220 I HN 0.620 nan 8.210 nan 0.000 0.421 221 G N 0.231 108.596 108.800 -0.726 0.000 2.364 221 G HA2 0.333 4.293 3.960 -0.000 0.000 0.286 221 G HA3 0.333 4.293 3.960 -0.000 0.000 0.286 221 G C -0.463 173.976 174.900 -0.768 0.000 1.241 221 G CA -0.310 44.370 45.100 -0.699 0.000 0.887 221 G HN -0.013 nan 8.290 nan 0.000 0.484 222 I N 0.087 120.476 120.570 -0.302 0.000 3.172 222 I HA 0.364 4.534 4.170 -0.000 0.000 0.278 222 I C 0.688 176.793 176.117 -0.021 0.000 1.174 222 I CA 0.709 61.920 61.300 -0.147 0.000 1.445 222 I CB 0.621 38.677 38.000 0.094 0.000 1.175 222 I HN 0.486 nan 8.210 nan 0.000 0.447 223 E N 0.472 120.707 120.200 0.058 0.000 2.274 223 E HA 0.701 5.051 4.350 -0.000 0.000 0.269 223 E C -1.354 175.281 176.600 0.057 0.000 0.891 223 E CA -0.516 55.943 56.400 0.098 0.000 0.784 223 E CB 1.594 31.433 29.700 0.233 0.000 1.225 223 E HN 0.141 nan 8.360 nan 0.000 0.412 224 A N 3.422 126.212 122.820 -0.049 0.000 2.483 224 A HA 0.761 5.081 4.320 -0.000 0.000 0.286 224 A C -0.125 177.292 177.584 -0.278 0.000 1.207 224 A CA -0.508 51.456 52.037 -0.122 0.000 0.764 224 A CB 1.553 20.495 19.000 -0.096 0.000 1.341 224 A HN 0.605 nan 8.150 nan 0.000 0.428 225 R N -0.803 119.513 120.500 -0.307 0.000 3.059 225 R HA 0.285 4.625 4.340 -0.000 0.000 0.161 225 R C 0.403 176.587 176.300 -0.193 0.000 0.758 225 R CA 0.633 56.502 56.100 -0.385 0.000 1.064 225 R CB -0.300 29.623 30.300 -0.629 0.000 1.538 225 R HN 0.614 nan 8.270 nan 0.000 0.574 226 S N 0.782 116.388 115.700 -0.158 0.000 2.549 226 S HA 0.621 5.091 4.470 -0.000 0.000 0.297 226 S C -0.889 173.628 174.600 -0.138 0.000 1.115 226 S CA -0.448 57.674 58.200 -0.130 0.000 1.059 226 S CB 1.454 64.580 63.200 -0.124 0.000 1.046 226 S HN -0.003 nan 8.310 nan 0.000 0.506 227 V N 2.765 122.590 119.914 -0.149 0.000 3.001 227 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 227 V C -1.302 174.684 176.094 -0.180 0.000 1.099 227 V CA -0.390 61.815 62.300 -0.159 0.000 0.989 227 V CB 2.208 33.951 31.823 -0.134 0.000 1.040 227 V HN 1.022 nan 8.190 nan 0.000 0.434 228 E N 2.408 122.488 120.200 -0.199 0.000 2.401 228 E HA 0.546 4.896 4.350 -0.000 0.000 0.283 228 E C -1.622 174.905 176.600 -0.121 0.000 1.053 228 E CA -0.114 56.186 56.400 -0.167 0.000 0.842 228 E CB 1.963 31.538 29.700 -0.209 0.000 1.222 228 E HN 0.934 nan 8.360 nan 0.000 0.429 229 S N 1.767 117.471 115.700 0.007 0.000 2.621 229 S HA 0.716 5.186 4.470 -0.000 0.000 0.302 229 S C -0.708 174.041 174.600 0.249 0.000 1.093 229 S CA -0.135 58.117 58.200 0.088 0.000 1.017 229 S CB 0.911 64.115 63.200 0.007 0.000 1.077 229 S HN 0.780 nan 8.310 nan 0.000 0.517 230 S N 2.388 118.209 115.700 0.203 0.000 2.488 230 S HA 0.332 4.802 4.470 -0.000 0.000 0.278 230 S C 0.001 174.618 174.600 0.028 0.000 1.259 230 S CA -0.574 57.641 58.200 0.024 0.000 1.061 230 S CB 0.291 63.273 63.200 -0.364 0.000 0.910 230 S HN 0.771 nan 8.310 nan 0.000 0.491 231 K N 1.462 121.860 120.400 -0.003 0.000 2.564 231 K HA 0.228 4.548 4.320 -0.000 0.000 0.205 231 K C -0.593 175.867 176.600 -0.233 0.000 1.053 231 K CA -0.261 55.921 56.287 -0.175 0.000 1.072 231 K CB 0.309 32.600 32.500 -0.350 0.000 0.822 231 K HN 0.694 nan 8.250 nan 0.000 0.497 232 F N 2.603 122.482 119.950 -0.119 0.000 2.432 232 F HA 0.197 4.724 4.527 -0.000 0.000 0.329 232 F C 0.338 176.186 175.800 0.080 0.000 1.076 232 F CA -1.284 56.684 58.000 -0.053 0.000 1.018 232 F CB 0.885 39.863 39.000 -0.036 0.000 1.201 232 F HN -0.102 nan 8.300 nan 0.000 0.489 233 K N 3.279 123.141 120.400 -0.897 0.000 2.036 233 K HA 0.298 4.618 4.320 -0.000 0.000 0.246 233 K C 0.387 176.443 176.600 -0.906 0.000 1.148 233 K CA 0.855 56.553 56.287 -0.981 0.000 1.200 233 K CB -1.170 30.788 32.500 -0.902 0.000 0.964 233 K HN 1.150 nan 8.250 nan 0.000 0.364 234 G N 2.090 110.659 108.800 -0.386 0.000 2.198 234 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.156 234 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.156 234 G C -0.152 174.522 174.900 -0.376 0.000 1.012 234 G CA -0.184 44.714 45.100 -0.336 0.000 0.692 234 G HN 0.603 nan 8.290 nan 0.000 0.492 235 Y N 0.276 120.558 120.300 -0.030 0.000 2.729 235 Y HA 0.354 4.904 4.550 -0.000 0.000 0.266 235 Y C 0.666 176.516 175.900 -0.083 0.000 1.064 235 Y CA -0.636 57.463 58.100 -0.002 0.000 1.251 235 Y CB 0.530 39.108 38.460 0.197 0.000 1.379 235 Y HN 0.179 nan 8.280 nan 0.000 0.569 236 E N 2.056 122.273 120.200 0.028 0.000 3.089 236 E HA -0.052 4.298 4.350 -0.000 0.000 0.226 236 E C -0.350 176.222 176.600 -0.047 0.000 1.083 236 E CA 1.365 57.751 56.400 -0.024 0.000 0.938 236 E CB -0.615 29.057 29.700 -0.048 0.000 0.942 236 E HN 0.259 nan 8.360 nan 0.000 0.549 237 D N 1.004 121.372 120.400 -0.053 0.000 3.044 237 D HA -0.171 4.469 4.640 -0.000 0.000 0.206 237 D C 0.964 177.173 176.300 -0.152 0.000 1.053 237 D CA 0.457 54.410 54.000 -0.079 0.000 0.990 237 D CB -0.535 40.233 40.800 -0.054 0.000 1.078 237 D HN 0.303 nan 8.370 nan 0.000 0.433 238 R N -0.697 119.676 120.500 -0.211 0.000 2.062 238 R HA 0.004 4.344 4.340 -0.000 0.000 0.231 238 R C 0.374 176.268 176.300 -0.676 0.000 1.136 238 R CA 1.414 57.234 56.100 -0.468 0.000 0.948 238 R CB -0.067 29.926 30.300 -0.512 0.000 0.845 238 R HN 0.320 nan 8.270 nan 0.000 0.430 239 Y N -1.259 118.954 120.300 -0.145 0.000 2.499 239 Y HA 0.339 4.889 4.550 -0.000 0.000 0.347 239 Y C -0.119 175.782 175.900 0.002 0.000 0.987 239 Y CA -0.832 57.207 58.100 -0.101 0.000 1.044 239 Y CB 1.984 40.345 38.460 -0.165 0.000 1.245 239 Y HN -0.269 nan 8.280 nan 0.000 0.461 240 T N 4.022 118.654 114.554 0.130 0.000 2.807 240 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 240 T C -0.956 173.674 174.700 -0.116 0.000 0.993 240 T CA -0.497 61.596 62.100 -0.012 0.000 0.970 240 T CB 0.900 69.731 68.868 -0.061 0.000 0.950 240 T HN 0.551 nan 8.240 nan 0.000 0.441 241 I N 2.263 122.625 120.570 -0.347 0.000 2.693 241 I HA 0.812 4.982 4.170 -0.000 0.000 0.303 241 I C -1.113 174.823 176.117 -0.302 0.000 1.025 241 I CA -0.913 60.118 61.300 -0.449 0.000 1.086 241 I CB 1.343 38.695 38.000 -1.080 0.000 1.268 241 I HN 0.733 nan 8.210 nan 0.000 0.440 242 A N 4.655 127.366 122.820 -0.181 0.000 2.408 242 A HA 0.718 5.038 4.320 -0.000 0.000 0.295 242 A C -0.599 176.952 177.584 -0.055 0.000 1.040 242 A CA -0.393 51.568 52.037 -0.127 0.000 0.707 242 A CB 1.318 20.263 19.000 -0.093 0.000 1.235 242 A HN 0.837 nan 8.150 nan 0.000 0.418 243 G N 0.690 109.450 108.800 -0.066 0.000 2.356 243 G HA2 0.686 4.646 3.960 -0.000 0.000 0.298 243 G HA3 0.686 4.646 3.960 -0.000 0.000 0.298 243 G C -0.068 174.843 174.900 0.018 0.000 1.145 243 G CA 0.303 45.407 45.100 0.007 0.000 0.850 243 G HN 1.567 nan 8.290 nan 0.000 0.487 244 A N 1.723 124.582 122.820 0.065 0.000 2.337 244 A HA 0.643 4.963 4.320 -0.000 0.000 0.329 244 A C 0.003 177.713 177.584 0.210 0.000 1.146 244 A CA -0.669 51.410 52.037 0.069 0.000 0.800 244 A CB 1.148 20.135 19.000 -0.021 0.000 1.220 244 A HN 0.672 nan 8.150 nan 0.000 0.472 245 Y N 0.166 120.472 120.300 0.010 0.000 2.365 245 Y HA 0.115 4.665 4.550 0.000 0.000 0.293 245 Y C 0.456 176.448 175.900 0.153 0.000 1.119 245 Y CA 0.294 58.439 58.100 0.076 0.000 1.203 245 Y CB 0.391 38.913 38.460 0.103 0.000 1.026 245 Y HN 0.677 nan 8.280 nan 0.000 0.549 246 W N 1.712 123.094 121.300 0.136 0.000 3.216 246 W HA 0.288 4.948 4.660 -0.000 0.000 0.335 246 W C -3.334 173.188 176.519 0.004 0.000 1.077 246 W CA -2.060 55.319 57.345 0.058 0.000 1.252 246 W CB 2.031 31.526 29.460 0.057 0.000 1.312 246 W HN -0.149 nan 8.180 nan 0.000 0.446 247 P HA 0.240 nan 4.420 nan 0.000 0.276 247 P C -2.511 174.395 177.300 -0.656 0.000 1.244 247 P CA -1.252 61.082 63.100 -1.277 0.000 0.801 247 P CB 0.612 31.856 31.700 -0.760 0.000 1.006 248 P HA 0.016 nan 4.420 nan 0.000 0.262 248 P C -0.632 176.533 177.300 -0.224 0.000 1.455 248 P CA 0.690 63.611 63.100 -0.298 0.000 1.217 248 P CB -0.464 31.082 31.700 -0.255 0.000 1.625 249 Q N 2.508 122.215 119.800 -0.155 0.000 2.738 249 Q HA 0.655 4.995 4.340 -0.000 0.000 0.301 249 Q C -1.576 174.422 176.000 -0.003 0.000 0.901 249 Q CA -1.031 54.675 55.803 -0.160 0.000 0.756 249 Q CB 1.324 29.926 28.738 -0.226 0.000 1.463 249 Q HN 0.167 nan 8.270 nan 0.000 0.432 250 F N -1.470 118.424 119.950 -0.093 0.000 2.591 250 F HA 0.942 5.469 4.527 -0.000 0.000 0.309 250 F C -1.512 174.229 175.800 -0.098 0.000 1.098 250 F CA -0.920 57.019 58.000 -0.102 0.000 0.937 250 F CB 1.850 40.781 39.000 -0.114 0.000 1.250 250 F HN 0.774 nan 8.300 nan 0.000 0.447 251 A N 4.218 127.089 122.820 0.084 0.000 2.331 251 A HA 0.816 5.136 4.320 -0.000 0.000 0.320 251 A C -0.955 176.639 177.584 0.017 0.000 1.138 251 A CA -0.786 51.249 52.037 -0.003 0.000 0.790 251 A CB 0.682 19.671 19.000 -0.020 0.000 1.206 251 A HN 0.797 nan 8.150 nan 0.000 0.470 252 I N 2.738 123.313 120.570 0.009 0.000 2.359 252 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 252 I C 0.014 176.103 176.117 -0.048 0.000 0.987 252 I CA 0.038 61.336 61.300 -0.004 0.000 1.225 252 I CB 1.502 39.529 38.000 0.043 0.000 1.366 252 I HN 0.678 nan 8.210 nan 0.000 0.466 253 M N 3.623 123.204 119.600 -0.031 0.000 2.819 253 M HA 0.386 4.866 4.480 -0.000 0.000 0.300 253 M C -0.738 175.599 176.300 0.062 0.000 1.237 253 M CA -0.815 54.450 55.300 -0.058 0.000 0.813 253 M CB 1.468 34.000 32.600 -0.112 0.000 1.755 253 M HN 0.329 nan 8.290 nan 0.000 0.484 254 D N 0.663 121.058 120.400 -0.008 0.000 2.317 254 D HA 0.217 4.857 4.640 -0.000 0.000 0.252 254 D C 0.619 176.886 176.300 -0.054 0.000 1.174 254 D CA 0.270 54.288 54.000 0.028 0.000 0.866 254 D CB 1.453 42.227 40.800 -0.042 0.000 1.127 254 D HN 0.817 nan 8.370 nan 0.000 0.467 255 G N 2.642 111.388 108.800 -0.091 0.000 3.028 255 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.205 255 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.205 255 G C 1.097 175.877 174.900 -0.200 0.000 1.182 255 G CA 0.287 45.307 45.100 -0.133 0.000 0.860 255 G HN 0.383 nan 8.290 nan 0.000 0.507 256 E N -0.638 119.453 120.200 -0.181 0.000 2.406 256 E HA 0.008 4.358 4.350 -0.000 0.000 0.204 256 E C 2.360 178.862 176.600 -0.164 0.000 0.820 256 E CA 1.195 57.463 56.400 -0.221 0.000 1.136 256 E CB 0.230 29.850 29.700 -0.134 0.000 1.129 256 E HN 0.220 nan 8.360 nan 0.000 0.530 257 T N -1.731 112.799 114.554 -0.041 0.000 3.010 257 T HA 0.276 4.626 4.350 -0.000 0.000 0.257 257 T C 0.781 175.625 174.700 0.240 0.000 1.020 257 T CA 0.090 62.262 62.100 0.121 0.000 0.938 257 T CB 0.094 69.109 68.868 0.246 0.000 1.049 257 T HN 0.179 nan 8.240 nan 0.000 0.522 258 L N 0.554 121.789 121.223 0.021 0.000 3.898 258 L HA -0.147 4.193 4.340 -0.000 0.000 0.407 258 L C 0.191 176.777 176.870 -0.474 0.000 1.207 258 L CA 0.318 55.117 54.840 -0.068 0.000 0.931 258 L CB -1.864 40.244 42.059 0.081 0.000 2.014 258 L HN 0.557 nan 8.230 nan 0.000 0.858 259 E N 2.219 122.045 120.200 -0.622 0.000 2.217 259 E HA 0.239 4.589 4.350 -0.000 0.000 0.279 259 E C -2.127 174.077 176.600 -0.660 0.000 1.068 259 E CA -1.732 53.964 56.400 -1.173 0.000 0.882 259 E CB 0.825 30.019 29.700 -0.844 0.000 1.039 259 E HN 0.003 nan 8.360 nan 0.000 0.418 260 P HA -0.029 nan 4.420 nan 0.000 0.267 260 P C -0.289 176.858 177.300 -0.254 0.000 1.209 260 P CA 0.062 62.970 63.100 -0.320 0.000 0.763 260 P CB 0.876 32.431 31.700 -0.242 0.000 0.816 261 K N 1.526 121.824 120.400 -0.170 0.000 2.353 261 K HA 0.204 4.524 4.320 -0.000 0.000 0.206 261 K C 0.389 176.922 176.600 -0.111 0.000 1.191 261 K CA 0.828 57.041 56.287 -0.124 0.000 0.897 261 K CB 0.366 32.808 32.500 -0.097 0.000 1.283 261 K HN 0.425 nan 8.250 nan 0.000 0.477 262 Q N 0.176 119.909 119.800 -0.111 0.000 2.389 262 Q HA 0.530 4.870 4.340 -0.000 0.000 0.277 262 Q C -0.946 174.981 176.000 -0.123 0.000 1.082 262 Q CA -0.429 55.309 55.803 -0.110 0.000 0.810 262 Q CB 2.806 31.484 28.738 -0.100 0.000 1.374 262 Q HN 0.098 nan 8.270 nan 0.000 0.422 263 I N 0.846 121.320 120.570 -0.160 0.000 2.533 263 I HA 0.571 4.741 4.170 -0.000 0.000 0.290 263 I C -0.693 175.228 176.117 -0.326 0.000 1.056 263 I CA -1.044 60.124 61.300 -0.220 0.000 1.057 263 I CB 2.325 40.232 38.000 -0.154 0.000 1.240 263 I HN 0.119 nan 8.210 nan 0.000 0.423 264 V N 3.680 123.238 119.914 -0.592 0.000 2.588 264 V HA 0.373 4.493 4.120 -0.000 0.000 0.304 264 V C -0.019 175.693 176.094 -0.637 0.000 1.042 264 V CA -0.655 61.240 62.300 -0.676 0.000 0.877 264 V CB 1.937 33.160 31.823 -1.001 0.000 0.996 264 V HN 0.796 nan 8.190 nan 0.000 0.425 265 S N 2.234 117.724 115.700 -0.351 0.000 2.565 265 S HA 0.286 4.756 4.470 -0.000 0.000 0.274 265 S C 1.092 175.596 174.600 -0.161 0.000 1.309 265 S CA 0.263 58.322 58.200 -0.236 0.000 1.043 265 S CB 1.052 64.162 63.200 -0.151 0.000 0.939 265 S HN 1.057 nan 8.310 nan 0.000 0.504 266 T N 2.039 116.529 114.554 -0.107 0.000 3.105 266 T HA 0.308 4.658 4.350 -0.000 0.000 0.253 266 T C 0.455 175.126 174.700 -0.048 0.000 1.047 266 T CA -0.332 61.751 62.100 -0.027 0.000 0.944 266 T CB -0.143 68.744 68.868 0.032 0.000 1.016 266 T HN 0.543 nan 8.240 nan 0.000 0.544 267 R N 1.242 121.716 120.500 -0.044 0.000 2.421 267 R HA 0.546 4.886 4.340 -0.000 0.000 0.305 267 R C 0.631 176.976 176.300 0.075 0.000 1.039 267 R CA 0.380 56.478 56.100 -0.003 0.000 1.003 267 R CB 0.508 30.855 30.300 0.079 0.000 0.959 267 R HN 0.579 nan 8.270 nan 0.000 0.427 268 G N 2.008 110.820 108.800 0.020 0.000 2.494 268 G HA2 0.229 4.189 3.960 -0.000 0.000 0.308 268 G HA3 0.229 4.189 3.960 -0.000 0.000 0.308 268 G C -1.276 173.661 174.900 0.061 0.000 1.263 268 G CA -0.872 44.297 45.100 0.115 0.000 0.840 268 G HN 0.217 nan 8.290 nan 0.000 0.479 269 M N 1.951 121.607 119.600 0.093 0.000 2.235 269 M HA 0.368 4.848 4.480 -0.000 0.000 0.351 269 M C 1.035 177.338 176.300 0.005 0.000 1.178 269 M CA -0.607 54.735 55.300 0.071 0.000 1.143 269 M CB 0.320 32.968 32.600 0.078 0.000 1.530 269 M HN 0.773 nan 8.290 nan 0.000 0.461 270 T N -1.312 113.242 114.554 0.000 0.000 2.788 270 T HA 0.324 4.674 4.350 -0.000 0.000 0.287 270 T C 1.022 175.710 174.700 -0.020 0.000 1.007 270 T CA -0.799 61.283 62.100 -0.030 0.000 1.005 270 T CB 1.318 70.178 68.868 -0.014 0.000 1.012 270 T HN 0.478 nan 8.240 nan 0.000 0.530 271 V N 1.002 120.897 119.914 -0.032 0.000 2.599 271 V HA -0.001 4.119 4.120 -0.000 0.000 0.245 271 V C 2.074 178.165 176.094 -0.005 0.000 1.046 271 V CA 1.987 64.276 62.300 -0.019 0.000 1.065 271 V CB -0.663 31.144 31.823 -0.027 0.000 0.703 271 V HN 1.038 nan 8.190 nan 0.000 0.464 272 D N 0.305 120.704 120.400 -0.001 0.000 2.084 272 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 272 D C 1.888 178.199 176.300 0.017 0.000 0.981 272 D CA 2.330 56.338 54.000 0.013 0.000 0.841 272 D CB -1.267 39.548 40.800 0.025 0.000 0.997 272 D HN 0.528 nan 8.370 nan 0.000 0.454 273 T N -3.747 110.819 114.554 0.021 0.000 3.081 273 T HA 0.078 4.428 4.350 -0.000 0.000 0.250 273 T C 0.657 175.372 174.700 0.024 0.000 1.100 273 T CA -0.053 62.061 62.100 0.024 0.000 1.038 273 T CB -0.429 68.456 68.868 0.028 0.000 0.962 273 T HN 0.258 nan 8.240 nan 0.000 0.516 274 Q N 1.852 121.665 119.800 0.022 0.000 2.453 274 Q HA -0.157 4.183 4.340 -0.000 0.000 0.294 274 Q C -0.362 175.663 176.000 0.042 0.000 1.295 274 Q CA 0.917 56.735 55.803 0.026 0.000 0.853 274 Q CB -2.230 26.520 28.738 0.021 0.000 1.193 274 Q HN 0.899 nan 8.270 nan 0.000 0.461 275 T N -3.701 110.883 114.554 0.049 0.000 2.942 275 T HA 0.527 4.877 4.350 -0.000 0.000 0.289 275 T C -0.457 174.308 174.700 0.108 0.000 1.044 275 T CA -0.925 61.220 62.100 0.075 0.000 1.023 275 T CB 1.510 70.410 68.868 0.053 0.000 1.123 275 T HN 0.231 nan 8.240 nan 0.000 0.512 276 Y N 1.476 121.788 120.300 0.019 0.000 2.397 276 Y HA 0.377 4.927 4.550 0.000 0.000 0.335 276 Y C 0.173 176.101 175.900 0.047 0.000 1.213 276 Y CA -0.025 58.095 58.100 0.032 0.000 1.391 276 Y CB 0.368 38.837 38.460 0.015 0.000 1.293 276 Y HN 0.817 nan 8.280 nan 0.000 0.557 277 H N 7.581 126.073 119.070 -0.962 0.000 2.840 277 H HA 0.274 4.830 4.556 -0.000 0.000 0.340 277 H C -2.339 172.380 175.328 -1.015 0.000 1.004 277 H CA -2.262 53.361 56.048 -0.708 0.000 1.288 277 H CB 2.595 32.124 29.762 -0.389 0.000 1.607 277 H HN 0.475 nan 8.280 nan 0.000 0.522 278 P HA 0.027 nan 4.420 nan 0.000 0.241 278 P C 0.146 177.509 177.300 0.105 0.000 1.191 278 P CA 0.626 63.655 63.100 -0.118 0.000 0.771 278 P CB 0.953 32.710 31.700 0.095 0.000 0.929 279 E N 0.533 120.881 120.200 0.246 0.000 3.626 279 E HA 0.285 4.635 4.350 -0.000 0.000 0.245 279 E C -2.737 173.815 176.600 -0.079 0.000 1.236 279 E CA -1.947 54.555 56.400 0.169 0.000 1.072 279 E CB 1.035 30.927 29.700 0.318 0.000 1.309 279 E HN 0.064 nan 8.360 nan 0.000 0.400 280 P HA 0.230 nan 4.420 nan 0.000 0.284 280 P C -0.948 176.212 177.300 -0.233 0.000 1.343 280 P CA -0.370 62.493 63.100 -0.395 0.000 0.826 280 P CB 0.412 31.899 31.700 -0.354 0.000 0.956 281 R N 1.882 122.224 120.500 -0.263 0.000 2.491 281 R HA 0.284 4.624 4.340 -0.000 0.000 0.283 281 R C -0.180 176.073 176.300 -0.078 0.000 1.072 281 R CA -0.512 55.447 56.100 -0.234 0.000 1.048 281 R CB 0.396 30.317 30.300 -0.630 0.000 0.983 281 R HN 0.219 nan 8.270 nan 0.000 0.450 282 V N 3.803 123.766 119.914 0.083 0.000 2.427 282 V HA 0.213 4.333 4.120 -0.000 0.000 0.268 282 V C 0.781 177.030 176.094 0.260 0.000 1.046 282 V CA 0.125 62.504 62.300 0.131 0.000 0.970 282 V CB 0.468 32.368 31.823 0.129 0.000 1.001 282 V HN 1.004 nan 8.190 nan 0.000 0.476 283 A N 5.328 128.266 122.820 0.197 0.000 3.909 283 A HA 0.838 5.158 4.320 -0.000 0.000 0.180 283 A C 1.076 178.698 177.584 0.063 0.000 1.812 283 A CA 0.383 52.560 52.037 0.235 0.000 1.557 283 A CB -0.483 18.673 19.000 0.260 0.000 1.216 283 A HN 1.010 nan 8.150 nan 0.000 0.386 284 A N -0.707 122.134 122.820 0.035 0.000 2.407 284 A HA 0.573 4.893 4.320 -0.000 0.000 0.248 284 A C -0.336 177.220 177.584 -0.046 0.000 1.082 284 A CA 0.126 52.167 52.037 0.006 0.000 0.785 284 A CB -0.319 18.734 19.000 0.087 0.000 1.020 284 A HN 0.513 nan 8.150 nan 0.000 0.489 285 I N 1.090 121.581 120.570 -0.132 0.000 2.647 285 I HA 0.501 4.671 4.170 -0.000 0.000 0.295 285 I C -1.177 174.765 176.117 -0.291 0.000 1.078 285 I CA -0.567 60.588 61.300 -0.243 0.000 1.048 285 I CB 2.124 39.956 38.000 -0.280 0.000 1.239 285 I HN 0.538 nan 8.210 nan 0.000 0.421 286 I N 4.190 124.519 120.570 -0.403 0.000 2.656 286 I HA 0.610 4.780 4.170 -0.000 0.000 0.292 286 I C -0.399 175.667 176.117 -0.084 0.000 1.144 286 I CA -0.348 60.728 61.300 -0.373 0.000 1.038 286 I CB 1.980 39.429 38.000 -0.918 0.000 1.244 286 I HN 0.640 nan 8.210 nan 0.000 0.420 287 A N 4.612 127.537 122.820 0.175 0.000 2.409 287 A HA 0.567 4.887 4.320 -0.000 0.000 0.262 287 A C 0.087 177.882 177.584 0.351 0.000 1.113 287 A CA -0.084 52.133 52.037 0.299 0.000 0.790 287 A CB 0.224 19.378 19.000 0.256 0.000 1.046 287 A HN 0.728 nan 8.150 nan 0.000 0.496 288 S N 0.919 116.751 115.700 0.219 0.000 2.505 288 S HA 0.141 4.611 4.470 -0.000 0.000 0.276 288 S C 0.861 175.557 174.600 0.161 0.000 1.274 288 S CA -0.365 57.998 58.200 0.272 0.000 1.053 288 S CB -0.126 63.120 63.200 0.076 0.000 0.919 288 S HN 0.729 nan 8.310 nan 0.000 0.490 289 H N 2.904 122.003 119.070 0.049 0.000 2.551 289 H HA 0.134 4.690 4.556 -0.000 0.000 0.266 289 H C 1.065 176.478 175.328 0.142 0.000 0.964 289 H CA 0.267 56.335 56.048 0.035 0.000 1.180 289 H CB 0.644 30.285 29.762 -0.201 0.000 1.408 289 H HN 0.645 nan 8.280 nan 0.000 0.563 290 E N -0.025 120.261 120.200 0.142 0.000 2.201 290 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 290 E C 0.429 176.839 176.600 -0.316 0.000 0.957 290 E CA 0.563 56.975 56.400 0.020 0.000 0.858 290 E CB 0.722 30.404 29.700 -0.029 0.000 0.816 290 E HN 0.507 nan 8.360 nan 0.000 0.475 291 H N -0.403 118.429 119.070 -0.398 0.000 2.894 291 H HA 0.235 4.791 4.556 -0.000 0.000 0.368 291 H C -2.225 172.371 175.328 -1.219 0.000 1.181 291 H CA -2.025 53.514 56.048 -0.848 0.000 1.146 291 H CB 2.144 31.619 29.762 -0.480 0.000 1.839 291 H HN -0.176 nan 8.280 nan 0.000 0.557 292 P HA 0.121 nan 4.420 nan 0.000 0.225 292 P C -0.628 175.655 177.300 -1.693 0.000 1.768 292 P CA 0.294 62.507 63.100 -1.478 0.000 0.943 292 P CB -0.125 30.809 31.700 -1.275 0.000 1.936 293 E N 0.084 119.652 120.200 -1.053 0.000 2.378 293 E HA 0.599 4.949 4.350 -0.000 0.000 0.265 293 E C -1.016 175.350 176.600 -0.390 0.000 0.932 293 E CA -0.790 55.188 56.400 -0.703 0.000 0.795 293 E CB 1.298 30.769 29.700 -0.382 0.000 1.296 293 E HN -0.019 nan 8.360 nan 0.000 0.438 294 F N 1.128 121.022 119.950 -0.093 0.000 2.467 294 F HA 0.433 4.960 4.527 0.000 0.000 0.336 294 F C -0.189 175.486 175.800 -0.209 0.000 1.123 294 F CA -0.804 57.138 58.000 -0.096 0.000 0.964 294 F CB 1.012 39.945 39.000 -0.111 0.000 1.136 294 F HN 0.225 nan 8.300 nan 0.000 0.447 295 I N 4.790 125.331 120.570 -0.048 0.000 2.287 295 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 295 I C -0.725 175.232 176.117 -0.267 0.000 1.069 295 I CA -0.578 60.597 61.300 -0.207 0.000 1.237 295 I CB 0.571 38.349 38.000 -0.369 0.000 1.418 295 I HN 0.142 nan 8.210 nan 0.000 0.481 296 V N 6.114 125.888 119.914 -0.235 0.000 2.364 296 V HA 0.222 4.342 4.120 -0.000 0.000 0.272 296 V C 0.271 176.290 176.094 -0.125 0.000 1.036 296 V CA -0.706 61.434 62.300 -0.266 0.000 0.880 296 V CB 1.106 32.618 31.823 -0.517 0.000 0.991 296 V HN 0.586 nan 8.190 nan 0.000 0.460 297 N N 3.803 122.477 118.700 -0.043 0.000 2.401 297 N HA 0.252 4.992 4.740 -0.000 0.000 0.255 297 N C -0.549 174.963 175.510 0.003 0.000 1.110 297 N CA -0.023 53.045 53.050 0.030 0.000 0.949 297 N CB 1.680 40.229 38.487 0.102 0.000 1.110 297 N HN 0.424 nan 8.380 nan 0.000 0.490 298 V N 3.963 123.864 119.914 -0.021 0.000 2.311 298 V HA 0.120 4.240 4.120 -0.000 0.000 0.275 298 V C 1.538 177.578 176.094 -0.091 0.000 1.022 298 V CA -0.632 61.641 62.300 -0.045 0.000 0.830 298 V CB 1.176 32.970 31.823 -0.048 0.000 1.012 298 V HN 0.638 nan 8.190 nan 0.000 0.452 299 K N 3.553 123.896 120.400 -0.095 0.000 1.980 299 K HA -0.250 4.070 4.320 -0.000 0.000 0.231 299 K C 1.782 178.169 176.600 -0.354 0.000 1.018 299 K CA 2.496 58.695 56.287 -0.146 0.000 1.063 299 K CB -0.008 32.418 32.500 -0.123 0.000 0.731 299 K HN 0.715 nan 8.250 nan 0.000 0.456 300 E N -0.356 119.490 120.200 -0.590 0.000 2.147 300 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 300 E C 1.877 178.093 176.600 -0.641 0.000 1.005 300 E CA 2.205 58.058 56.400 -0.911 0.000 0.810 300 E CB -0.345 28.674 29.700 -1.135 0.000 0.736 300 E HN 0.671 nan 8.360 nan 0.000 0.460 301 T N -3.672 110.610 114.554 -0.453 0.000 2.985 301 T HA 0.119 4.469 4.350 -0.000 0.000 0.266 301 T C 1.675 176.271 174.700 -0.173 0.000 1.076 301 T CA 0.511 62.450 62.100 -0.268 0.000 1.135 301 T CB -0.135 68.615 68.868 -0.196 0.000 0.890 301 T HN 0.310 nan 8.240 nan 0.000 0.480 302 G N 1.602 110.301 108.800 -0.168 0.000 2.182 302 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.248 302 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.248 302 G C -0.187 174.676 174.900 -0.063 0.000 1.042 302 G CA -0.143 44.901 45.100 -0.094 0.000 0.775 302 G HN 0.558 nan 8.290 nan 0.000 0.501 303 K N 0.099 120.459 120.400 -0.066 0.000 2.323 303 K HA 0.567 4.887 4.320 -0.000 0.000 0.259 303 K C -0.198 176.382 176.600 -0.034 0.000 0.947 303 K CA -0.738 55.522 56.287 -0.045 0.000 0.819 303 K CB 2.620 35.094 32.500 -0.042 0.000 1.109 303 K HN 0.062 nan 8.250 nan 0.000 0.429 304 V N 5.385 125.285 119.914 -0.024 0.000 2.333 304 V HA 0.271 4.391 4.120 -0.000 0.000 0.274 304 V C 0.233 176.307 176.094 -0.034 0.000 1.028 304 V CA -0.753 61.540 62.300 -0.012 0.000 0.851 304 V CB 0.655 32.491 31.823 0.023 0.000 1.000 304 V HN 0.518 nan 8.190 nan 0.000 0.456 305 L N 6.117 127.305 121.223 -0.059 0.000 2.305 305 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 305 L C -0.285 176.525 176.870 -0.100 0.000 1.085 305 L CA -0.346 54.453 54.840 -0.069 0.000 0.813 305 L CB 0.855 42.878 42.059 -0.061 0.000 1.157 305 L HN 0.417 nan 8.230 nan 0.000 0.436 306 L N 4.850 126.023 121.223 -0.084 0.000 2.283 306 L HA 0.340 4.680 4.340 -0.000 0.000 0.281 306 L C -0.459 176.352 176.870 -0.098 0.000 1.033 306 L CA -0.625 54.152 54.840 -0.106 0.000 0.848 306 L CB 1.412 43.395 42.059 -0.125 0.000 1.226 306 L HN 0.346 nan 8.230 nan 0.000 0.429 307 V N 2.481 122.349 119.914 -0.076 0.000 2.339 307 V HA 0.142 4.262 4.120 -0.000 0.000 0.261 307 V C 0.587 176.624 176.094 -0.096 0.000 1.058 307 V CA -0.552 61.741 62.300 -0.012 0.000 0.897 307 V CB 0.815 32.683 31.823 0.076 0.000 1.052 307 V HN 0.664 nan 8.190 nan 0.000 0.480 308 N N 3.664 122.261 118.700 -0.172 0.000 2.470 308 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 308 N C 0.431 175.787 175.510 -0.256 0.000 1.136 308 N CA -0.115 52.734 53.050 -0.335 0.000 0.961 308 N CB 1.155 39.480 38.487 -0.270 0.000 1.067 308 N HN 0.733 nan 8.380 nan 0.000 0.468 309 Y N 2.753 122.860 120.300 -0.320 0.000 2.478 309 Y HA 0.321 4.871 4.550 0.000 0.000 0.261 309 Y C 1.951 177.716 175.900 -0.226 0.000 1.127 309 Y CA -0.313 57.593 58.100 -0.322 0.000 1.288 309 Y CB -0.154 38.049 38.460 -0.428 0.000 1.084 309 Y HN 0.372 nan 8.280 nan 0.000 0.530 310 K N 0.556 120.867 120.400 -0.148 0.000 2.067 310 K HA -0.295 4.025 4.320 -0.000 0.000 0.226 310 K C 0.065 176.736 176.600 0.119 0.000 1.046 310 K CA 2.316 58.616 56.287 0.022 0.000 0.967 310 K CB -0.480 31.994 32.500 -0.044 0.000 0.749 310 K HN 0.371 nan 8.250 nan 0.000 0.456 311 D N -0.394 120.026 120.400 0.034 0.000 2.441 311 D HA 0.100 4.740 4.640 -0.000 0.000 0.231 311 D C 0.281 176.573 176.300 -0.013 0.000 1.073 311 D CA -0.107 53.911 54.000 0.031 0.000 0.850 311 D CB 0.979 41.785 40.800 0.010 0.000 1.062 311 D HN 0.157 nan 8.370 nan 0.000 0.524 312 I N 2.704 123.256 120.570 -0.029 0.000 2.716 312 I HA -0.075 4.095 4.170 -0.000 0.000 0.259 312 I C 0.849 176.918 176.117 -0.079 0.000 1.172 312 I CA 0.474 61.705 61.300 -0.114 0.000 1.478 312 I CB 0.399 38.216 38.000 -0.306 0.000 1.104 312 I HN 0.288 nan 8.210 nan 0.000 0.439 313 D N 1.581 121.956 120.400 -0.043 0.000 2.371 313 D HA -0.020 4.620 4.640 -0.000 0.000 0.221 313 D C -0.152 176.126 176.300 -0.037 0.000 0.986 313 D CA 0.699 54.676 54.000 -0.039 0.000 0.899 313 D CB -0.075 40.712 40.800 -0.021 0.000 0.902 313 D HN 0.450 nan 8.370 nan 0.000 0.530 314 N N 1.127 119.806 118.700 -0.034 0.000 2.607 314 N HA 0.123 4.863 4.740 -0.000 0.000 0.271 314 N C -1.031 174.458 175.510 -0.034 0.000 1.142 314 N CA -0.467 52.564 53.050 -0.032 0.000 0.810 314 N CB 1.928 40.400 38.487 -0.024 0.000 1.306 314 N HN -0.084 nan 8.380 nan 0.000 0.536 315 L N 1.581 122.784 121.223 -0.033 0.000 2.349 315 L HA 0.318 4.658 4.340 -0.000 0.000 0.275 315 L C 0.688 177.543 176.870 -0.024 0.000 1.115 315 L CA 0.383 55.209 54.840 -0.023 0.000 0.820 315 L CB 0.631 42.691 42.059 0.002 0.000 1.135 315 L HN 0.336 nan 8.230 nan 0.000 0.445 316 T N 3.595 118.126 114.554 -0.038 0.000 2.756 316 T HA 0.570 4.920 4.350 -0.000 0.000 0.290 316 T C -0.316 174.358 174.700 -0.043 0.000 0.985 316 T CA -0.397 61.674 62.100 -0.048 0.000 0.955 316 T CB 1.099 69.923 68.868 -0.074 0.000 0.930 316 T HN 0.223 nan 8.240 nan 0.000 0.451 317 V N 3.840 123.741 119.914 -0.021 0.000 2.495 317 V HA 0.507 4.627 4.120 -0.000 0.000 0.298 317 V C 0.147 176.223 176.094 -0.030 0.000 1.031 317 V CA -0.740 61.556 62.300 -0.007 0.000 0.871 317 V CB 2.114 33.968 31.823 0.051 0.000 0.988 317 V HN 0.927 nan 8.190 nan 0.000 0.432 318 T N 2.796 117.321 114.554 -0.050 0.000 2.772 318 T HA 0.226 4.576 4.350 -0.000 0.000 0.288 318 T C 0.100 174.774 174.700 -0.043 0.000 0.994 318 T CA -0.219 61.847 62.100 -0.057 0.000 0.951 318 T CB 1.292 70.108 68.868 -0.087 0.000 0.933 318 T HN 0.540 nan 8.240 nan 0.000 0.447 319 S N 3.886 119.568 115.700 -0.031 0.000 2.642 319 S HA 0.381 4.851 4.470 -0.000 0.000 0.309 319 S C 0.232 174.814 174.600 -0.029 0.000 1.125 319 S CA -0.663 57.523 58.200 -0.024 0.000 1.055 319 S CB -0.650 62.542 63.200 -0.013 0.000 1.157 319 S HN 0.540 nan 8.310 nan 0.000 0.513 320 I N 4.260 124.809 120.570 -0.034 0.000 2.301 320 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 320 I C 1.228 177.327 176.117 -0.031 0.000 1.046 320 I CA -0.521 60.759 61.300 -0.034 0.000 1.282 320 I CB 0.877 38.855 38.000 -0.036 0.000 1.409 320 I HN 0.546 nan 8.210 nan 0.000 0.484 321 G N 4.437 113.219 108.800 -0.029 0.000 2.378 321 G HA2 0.455 4.415 3.960 -0.000 0.000 0.255 321 G HA3 0.455 4.415 3.960 -0.000 0.000 0.255 321 G C 0.209 175.089 174.900 -0.033 0.000 1.270 321 G CA 0.155 45.237 45.100 -0.029 0.000 0.876 321 G HN 0.778 nan 8.290 nan 0.000 0.521 322 A N 2.412 125.212 122.820 -0.033 0.000 2.733 322 A HA 0.961 5.281 4.320 -0.000 0.000 0.210 322 A C 0.673 178.242 177.584 -0.026 0.000 2.062 322 A CA 0.590 52.604 52.037 -0.038 0.000 1.765 322 A CB 0.135 19.109 19.000 -0.043 0.000 1.287 322 A HN 1.967 nan 8.150 nan 0.000 0.395 323 A N -0.091 122.719 122.820 -0.017 0.000 2.520 323 A HA 0.706 5.026 4.320 -0.000 0.000 0.298 323 A C -3.074 174.522 177.584 0.020 0.000 1.051 323 A CA -1.585 50.456 52.037 0.006 0.000 0.690 323 A CB 0.795 19.804 19.000 0.015 0.000 1.281 323 A HN 0.317 nan 8.150 nan 0.000 0.402 324 P HA 0.185 nan 4.420 nan 0.000 0.267 324 P C -0.287 177.113 177.300 0.168 0.000 1.201 324 P CA 0.766 63.889 63.100 0.038 0.000 0.775 324 P CB -0.094 31.659 31.700 0.088 0.000 0.854 325 F N -2.183 117.748 119.950 -0.030 0.000 2.905 325 F HA -0.211 4.316 4.527 -0.000 0.000 0.291 325 F C 0.606 176.408 175.800 0.004 0.000 1.002 325 F CA 0.219 58.203 58.000 -0.028 0.000 0.978 325 F CB -2.004 36.979 39.000 -0.029 0.000 1.036 325 F HN 0.167 nan 8.300 nan 0.000 0.820 326 L N 1.186 122.477 121.223 0.114 0.000 2.461 326 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 326 L C 1.309 178.313 176.870 0.223 0.000 1.197 326 L CA 0.361 55.269 54.840 0.114 0.000 0.836 326 L CB 0.733 42.821 42.059 0.049 0.000 1.105 326 L HN 0.522 nan 8.230 nan 0.000 0.477 327 H N 0.149 119.256 119.070 0.062 0.000 5.322 327 H HA 0.159 4.715 4.556 -0.000 0.000 0.096 327 H C -0.770 174.608 175.328 0.084 0.000 1.316 327 H CA -0.264 55.840 56.048 0.093 0.000 0.255 327 H CB 0.887 30.711 29.762 0.104 0.000 1.685 327 H HN 0.790 nan 8.280 nan 0.000 0.125 328 D N 0.148 120.467 120.400 -0.136 0.000 2.529 328 D HA 0.504 5.144 4.640 -0.000 0.000 0.273 328 D C 0.412 176.686 176.300 -0.043 0.000 1.197 328 D CA -0.136 53.789 54.000 -0.126 0.000 1.070 328 D CB 1.931 42.645 40.800 -0.144 0.000 1.134 328 D HN 0.780 nan 8.370 nan 0.000 0.590 329 G N -2.978 105.835 108.800 0.022 0.000 2.356 329 G HA2 0.549 4.509 3.960 -0.000 0.000 0.300 329 G HA3 0.549 4.509 3.960 -0.000 0.000 0.300 329 G C -0.947 174.036 174.900 0.139 0.000 1.331 329 G CA -0.251 44.849 45.100 0.000 0.000 0.905 329 G HN 0.943 nan 8.290 nan 0.000 0.587 330 G N -1.967 106.929 108.800 0.160 0.000 2.663 330 G HA2 0.595 4.555 3.960 -0.000 0.000 0.299 330 G HA3 0.595 4.555 3.960 -0.000 0.000 0.299 330 G C -1.297 173.841 174.900 0.396 0.000 1.372 330 G CA -0.834 44.463 45.100 0.328 0.000 0.781 330 G HN 0.720 nan 8.290 nan 0.000 0.491 331 W N 1.180 122.889 121.300 0.682 0.000 2.161 331 W HA 0.364 5.024 4.660 -0.000 0.000 0.344 331 W C 1.103 177.840 176.519 0.363 0.000 1.262 331 W CA -0.397 57.200 57.345 0.419 0.000 1.270 331 W CB 0.825 30.465 29.460 0.300 0.000 1.126 331 W HN 0.640 nan 8.180 nan 0.000 0.598 332 D N -0.245 120.501 120.400 0.576 0.000 2.425 332 D HA 0.070 4.710 4.640 -0.000 0.000 0.274 332 D C 0.903 177.374 176.300 0.286 0.000 1.242 332 D CA -0.221 54.025 54.000 0.411 0.000 1.060 332 D CB 0.477 41.518 40.800 0.402 0.000 1.112 332 D HN 0.293 nan 8.370 nan 0.000 0.561 333 S N -0.540 115.274 115.700 0.190 0.000 2.368 333 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 333 S C 1.909 176.460 174.600 -0.083 0.000 1.030 333 S CA 1.535 59.761 58.200 0.042 0.000 0.999 333 S CB -0.430 62.800 63.200 0.049 0.000 0.844 333 S HN 0.660 nan 8.310 nan 0.000 0.459 334 S N 0.119 115.818 115.700 -0.002 0.000 2.603 334 S HA 0.093 4.563 4.470 -0.000 0.000 0.220 334 S C 0.200 174.690 174.600 -0.182 0.000 0.967 334 S CA -0.071 58.078 58.200 -0.086 0.000 0.920 334 S CB -0.813 62.410 63.200 0.038 0.000 0.773 334 S HN 0.656 nan 8.310 nan 0.000 0.529 335 H N 0.096 119.022 119.070 -0.241 0.000 2.770 335 H HA -0.120 4.436 4.556 -0.000 0.000 0.309 335 H C 1.380 176.262 175.328 -0.744 0.000 1.206 335 H CA 0.559 56.182 56.048 -0.708 0.000 1.147 335 H CB -0.658 28.523 29.762 -0.969 0.000 1.422 335 H HN 0.283 nan 8.280 nan 0.000 0.420 336 R N -0.080 120.296 120.500 -0.208 0.000 2.383 336 R HA 0.100 4.440 4.340 -0.000 0.000 0.205 336 R C -0.573 175.624 176.300 -0.172 0.000 0.875 336 R CA 0.665 56.563 56.100 -0.337 0.000 1.039 336 R CB 0.860 30.861 30.300 -0.498 0.000 1.267 336 R HN 0.214 nan 8.270 nan 0.000 0.635 337 Y N 0.047 120.580 120.300 0.389 0.000 2.328 337 Y HA 0.300 4.850 4.550 -0.000 0.000 0.337 337 Y C -0.508 175.670 175.900 0.464 0.000 0.966 337 Y CA -1.172 57.150 58.100 0.369 0.000 1.136 337 Y CB 1.081 39.674 38.460 0.221 0.000 1.170 337 Y HN -0.135 nan 8.280 nan 0.000 0.470 338 F N 5.717 125.811 119.950 0.241 0.000 2.413 338 F HA 0.398 4.924 4.527 -0.000 0.000 0.359 338 F C -0.639 175.010 175.800 -0.250 0.000 1.122 338 F CA -1.600 56.291 58.000 -0.182 0.000 1.160 338 F CB 0.520 39.268 39.000 -0.419 0.000 1.146 338 F HN 0.335 nan 8.300 nan 0.000 0.514 339 M N 6.480 125.695 119.600 -0.641 0.000 2.206 339 M HA 0.160 4.640 4.480 -0.000 0.000 0.353 339 M C 0.104 175.734 176.300 -1.116 0.000 1.242 339 M CA -0.025 54.650 55.300 -1.043 0.000 1.179 339 M CB -0.033 31.439 32.600 -1.880 0.000 1.374 339 M HN 0.575 nan 8.290 nan 0.000 0.427 340 T N 1.999 115.964 114.554 -0.983 0.000 2.895 340 T HA 0.767 5.117 4.350 -0.000 0.000 0.283 340 T C -0.480 174.044 174.700 -0.292 0.000 1.014 340 T CA -0.527 61.124 62.100 -0.748 0.000 1.037 340 T CB 1.185 69.526 68.868 -0.879 0.000 1.006 340 T HN 0.706 nan 8.240 nan 0.000 0.468 341 A N 2.761 125.519 122.820 -0.104 0.000 2.274 341 A HA 0.727 5.047 4.320 -0.000 0.000 0.309 341 A C 0.343 177.955 177.584 0.048 0.000 1.226 341 A CA -0.581 51.469 52.037 0.021 0.000 0.853 341 A CB 0.362 19.413 19.000 0.085 0.000 1.146 341 A HN 1.103 nan 8.150 nan 0.000 0.518 342 A N 3.461 126.310 122.820 0.048 0.000 2.880 342 A HA 0.402 4.722 4.320 -0.000 0.000 0.328 342 A C 1.023 178.662 177.584 0.091 0.000 1.440 342 A CA -0.394 51.693 52.037 0.083 0.000 1.068 342 A CB -0.689 18.346 19.000 0.058 0.000 1.163 342 A HN 0.996 nan 8.150 nan 0.000 0.510 343 N N 1.989 120.748 118.700 0.097 0.000 2.060 343 N HA -0.255 4.485 4.740 -0.000 0.000 0.195 343 N C 0.232 175.737 175.510 -0.009 0.000 1.028 343 N CA 2.250 55.326 53.050 0.043 0.000 0.861 343 N CB -0.725 37.772 38.487 0.018 0.000 1.029 343 N HN 0.684 nan 8.380 nan 0.000 0.428 344 N N -0.726 117.944 118.700 -0.050 0.000 3.209 344 N HA 0.296 5.036 4.740 -0.000 0.000 0.309 344 N C -0.645 174.863 175.510 -0.003 0.000 1.384 344 N CA -0.256 52.701 53.050 -0.154 0.000 1.173 344 N CB 0.607 38.743 38.487 -0.585 0.000 1.460 344 N HN 0.121 nan 8.380 nan 0.000 0.534 345 S N 0.073 115.796 115.700 0.038 0.000 2.389 345 S HA 0.032 4.502 4.470 -0.000 0.000 0.261 345 S C -0.130 174.502 174.600 0.053 0.000 0.992 345 S CA -0.432 57.806 58.200 0.062 0.000 1.497 345 S CB 0.263 63.517 63.200 0.090 0.000 1.217 345 S HN 0.443 nan 8.310 nan 0.000 0.633 346 N N 1.929 120.661 118.700 0.054 0.000 2.716 346 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 346 N C -0.611 174.948 175.510 0.082 0.000 1.033 346 N CA 1.299 54.394 53.050 0.074 0.000 0.727 346 N CB -0.996 37.534 38.487 0.072 0.000 0.950 346 N HN 0.583 nan 8.380 nan 0.000 0.541 347 K N -0.708 119.733 120.400 0.069 0.000 2.443 347 K HA 0.682 5.002 4.320 -0.000 0.000 0.251 347 K C -0.571 176.059 176.600 0.050 0.000 0.972 347 K CA -0.804 55.520 56.287 0.060 0.000 0.833 347 K CB 2.557 35.080 32.500 0.038 0.000 1.317 347 K HN -0.147 nan 8.250 nan 0.000 0.441 348 V N 1.591 121.531 119.914 0.043 0.000 2.409 348 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 348 V C -0.642 175.401 176.094 -0.085 0.000 1.020 348 V CA -0.779 61.525 62.300 0.007 0.000 0.848 348 V CB 1.413 33.301 31.823 0.110 0.000 0.990 348 V HN 0.900 nan 8.190 nan 0.000 0.430 349 A N 5.222 127.948 122.820 -0.157 0.000 2.301 349 A HA 0.744 5.064 4.320 -0.000 0.000 0.298 349 A C -0.447 176.950 177.584 -0.312 0.000 1.185 349 A CA -0.389 51.529 52.037 -0.199 0.000 0.830 349 A CB 0.887 19.792 19.000 -0.157 0.000 1.112 349 A HN 0.705 nan 8.150 nan 0.000 0.508 350 V N 4.716 124.425 119.914 -0.341 0.000 2.328 350 V HA 0.273 4.393 4.120 -0.000 0.000 0.278 350 V C -0.338 175.592 176.094 -0.273 0.000 1.021 350 V CA -0.462 61.578 62.300 -0.433 0.000 0.838 350 V CB 0.814 32.126 31.823 -0.851 0.000 0.999 350 V HN 0.658 nan 8.190 nan 0.000 0.447 351 I N 3.682 124.189 120.570 -0.106 0.000 2.321 351 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 351 I C 0.159 176.358 176.117 0.137 0.000 0.998 351 I CA -0.272 61.046 61.300 0.030 0.000 1.227 351 I CB 1.453 39.540 38.000 0.144 0.000 1.368 351 I HN 0.576 nan 8.210 nan 0.000 0.466 352 D N 4.740 125.201 120.400 0.101 0.000 2.365 352 D HA 0.059 4.699 4.640 -0.000 0.000 0.237 352 D C 1.175 177.508 176.300 0.055 0.000 1.190 352 D CA 0.029 54.089 54.000 0.099 0.000 0.867 352 D CB 1.123 41.994 40.800 0.118 0.000 1.050 352 D HN 0.579 nan 8.370 nan 0.000 0.491 353 S N 3.081 118.831 115.700 0.084 0.000 2.561 353 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 353 S C 1.482 176.152 174.600 0.117 0.000 0.977 353 S CA 0.414 58.693 58.200 0.131 0.000 0.926 353 S CB 0.354 63.733 63.200 0.297 0.000 0.769 353 S HN 0.475 nan 8.310 nan 0.000 0.533 354 K N 0.903 121.335 120.400 0.053 0.000 2.172 354 K HA 0.104 4.424 4.320 -0.000 0.000 0.203 354 K C 0.867 177.561 176.600 0.158 0.000 1.040 354 K CA 0.877 57.243 56.287 0.132 0.000 0.974 354 K CB 0.126 32.627 32.500 0.002 0.000 0.857 354 K HN 0.160 nan 8.250 nan 0.000 0.464 355 D N 0.888 121.321 120.400 0.055 0.000 2.348 355 D HA 0.014 4.654 4.640 -0.000 0.000 0.211 355 D C -0.414 175.868 176.300 -0.030 0.000 0.998 355 D CA 0.300 54.319 54.000 0.032 0.000 0.873 355 D CB 0.263 41.093 40.800 0.051 0.000 0.925 355 D HN 0.151 nan 8.370 nan 0.000 0.524 356 R N 0.632 121.100 120.500 -0.053 0.000 3.209 356 R HA -0.213 4.127 4.340 -0.000 0.000 0.252 356 R C -0.177 176.086 176.300 -0.062 0.000 0.958 356 R CA 0.559 56.602 56.100 -0.095 0.000 0.651 356 R CB -1.781 28.388 30.300 -0.218 0.000 1.142 356 R HN 0.396 nan 8.270 nan 0.000 0.441 357 R N -1.019 119.464 120.500 -0.027 0.000 2.781 357 R HA 0.552 4.892 4.340 -0.000 0.000 0.269 357 R C -1.165 175.117 176.300 -0.031 0.000 1.025 357 R CA -1.326 54.758 56.100 -0.027 0.000 0.914 357 R CB 0.836 31.127 30.300 -0.015 0.000 1.236 357 R HN -0.001 nan 8.270 nan 0.000 0.465 358 L N 1.621 122.814 121.223 -0.050 0.000 2.315 358 L HA 0.280 4.620 4.340 -0.000 0.000 0.283 358 L C 0.382 177.179 176.870 -0.122 0.000 1.089 358 L CA 0.494 55.281 54.840 -0.088 0.000 0.833 358 L CB 1.490 43.502 42.059 -0.078 0.000 1.170 358 L HN 0.820 nan 8.230 nan 0.000 0.442 359 S N 3.646 119.212 115.700 -0.224 0.000 2.377 359 S HA 0.452 4.922 4.470 -0.000 0.000 0.223 359 S C 0.510 174.880 174.600 -0.383 0.000 1.030 359 S CA 0.677 58.672 58.200 -0.343 0.000 0.970 359 S CB -0.130 62.662 63.200 -0.679 0.000 0.830 359 S HN 0.901 nan 8.310 nan 0.000 0.473 360 A N -0.176 122.394 122.820 -0.417 0.000 2.567 360 A HA 0.636 4.956 4.320 -0.000 0.000 0.291 360 A C -1.904 175.572 177.584 -0.181 0.000 1.048 360 A CA -0.746 51.147 52.037 -0.239 0.000 0.661 360 A CB 0.407 19.301 19.000 -0.176 0.000 1.288 360 A HN 0.176 nan 8.150 nan 0.000 0.424 361 L N 1.889 123.065 121.223 -0.079 0.000 2.506 361 L HA 0.303 4.643 4.340 -0.000 0.000 0.247 361 L C -0.604 176.267 176.870 0.001 0.000 1.141 361 L CA -0.684 54.128 54.840 -0.047 0.000 0.973 361 L CB 1.020 43.063 42.059 -0.026 0.000 1.319 361 L HN 0.521 nan 8.230 nan 0.000 0.455 362 V N 0.389 120.312 119.914 0.016 0.000 2.493 362 V HA -0.045 4.075 4.120 -0.000 0.000 0.292 362 V C 0.629 176.769 176.094 0.077 0.000 1.016 362 V CA 0.028 62.372 62.300 0.074 0.000 1.097 362 V CB 0.283 32.179 31.823 0.122 0.000 0.947 362 V HN 0.482 nan 8.190 nan 0.000 0.479 363 D N 3.805 124.250 120.400 0.075 0.000 2.339 363 D HA 0.361 5.001 4.640 -0.000 0.000 0.256 363 D C 0.091 176.451 176.300 0.099 0.000 1.214 363 D CA 0.203 54.248 54.000 0.076 0.000 0.877 363 D CB 1.793 42.628 40.800 0.058 0.000 1.111 363 D HN 0.536 nan 8.370 nan 0.000 0.478 364 V N 0.257 120.249 119.914 0.129 0.000 3.204 364 V HA 0.836 4.956 4.120 -0.000 0.000 0.316 364 V C 0.894 177.097 176.094 0.181 0.000 1.160 364 V CA -0.884 61.534 62.300 0.196 0.000 1.044 364 V CB 0.980 32.984 31.823 0.302 0.000 1.136 364 V HN 0.438 nan 8.190 nan 0.000 0.455 365 G N -0.004 108.896 108.800 0.168 0.000 2.583 365 G HA2 0.240 4.200 3.960 -0.000 0.000 0.275 365 G HA3 0.240 4.200 3.960 -0.000 0.000 0.275 365 G C -0.080 174.916 174.900 0.159 0.000 1.342 365 G CA -0.725 44.362 45.100 -0.022 0.000 1.030 365 G HN 0.780 nan 8.290 nan 0.000 0.520 366 K N 0.803 121.246 120.400 0.071 0.000 2.416 366 K HA 0.110 4.430 4.320 -0.000 0.000 0.283 366 K C 0.345 177.054 176.600 0.181 0.000 1.037 366 K CA 0.555 56.904 56.287 0.104 0.000 0.995 366 K CB 0.111 32.635 32.500 0.041 0.000 0.938 366 K HN 0.606 nan 8.250 nan 0.000 0.475 367 T N 2.949 117.574 114.554 0.118 0.000 3.357 367 T HA -0.111 4.239 4.350 -0.000 0.000 0.422 367 T C -2.217 172.521 174.700 0.064 0.000 0.768 367 T CA -0.250 61.894 62.100 0.073 0.000 2.153 367 T CB -1.364 67.523 68.868 0.032 0.000 1.688 367 T HN 0.490 nan 8.240 nan 0.000 0.659 368 P HA 0.398 nan 4.420 nan 0.000 0.265 368 P C -0.469 176.765 177.300 -0.110 0.000 1.193 368 P CA -0.109 62.852 63.100 -0.232 0.000 0.765 368 P CB 0.791 32.371 31.700 -0.200 0.000 0.823 369 A N 5.360 128.079 122.820 -0.168 0.000 2.876 369 A HA 0.440 4.760 4.320 -0.000 0.000 0.309 369 A C -1.937 175.566 177.584 -0.135 0.000 1.168 369 A CA -1.045 50.936 52.037 -0.093 0.000 0.762 369 A CB 1.096 20.044 19.000 -0.088 0.000 1.262 369 A HN 0.307 nan 8.150 nan 0.000 0.435 370 P HA 0.148 nan 4.420 nan 0.000 0.220 370 P C 1.214 178.553 177.300 0.066 0.000 1.154 370 P CA 1.736 64.794 63.100 -0.070 0.000 0.830 370 P CB 0.544 32.248 31.700 0.007 0.000 0.803 371 G N 1.256 110.130 108.800 0.122 0.000 2.596 371 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.258 371 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.258 371 G C 1.049 176.040 174.900 0.152 0.000 1.207 371 G CA 0.287 45.566 45.100 0.298 0.000 0.954 371 G HN 0.246 nan 8.290 nan 0.000 0.551 372 R N 1.592 122.104 120.500 0.020 0.000 2.246 372 R HA 0.440 4.780 4.340 -0.000 0.000 0.199 372 R C 1.416 177.688 176.300 -0.046 0.000 0.984 372 R CA 1.334 57.277 56.100 -0.261 0.000 1.015 372 R CB 0.022 29.778 30.300 -0.906 0.000 0.930 372 R HN 2.069 nan 8.270 nan 0.000 0.475 373 G N 0.086 108.915 108.800 0.049 0.000 2.610 373 G HA2 0.040 4.000 3.960 -0.000 0.000 0.304 373 G HA3 0.040 4.000 3.960 -0.000 0.000 0.304 373 G C -1.364 173.577 174.900 0.068 0.000 1.309 373 G CA -0.553 44.535 45.100 -0.020 0.000 0.906 373 G HN 0.344 nan 8.290 nan 0.000 0.521 374 A N 0.184 122.959 122.820 -0.075 0.000 2.414 374 A HA 0.749 5.069 4.320 -0.000 0.000 0.286 374 A C -0.482 177.247 177.584 0.243 0.000 1.073 374 A CA -0.540 51.602 52.037 0.175 0.000 0.727 374 A CB 1.090 20.187 19.000 0.161 0.000 1.215 374 A HN 0.808 nan 8.150 nan 0.000 0.430 375 N N 2.189 121.106 118.700 0.361 0.000 2.392 375 N HA 0.754 5.494 4.740 -0.000 0.000 0.283 375 N C -1.035 174.667 175.510 0.319 0.000 1.003 375 N CA 0.126 53.359 53.050 0.304 0.000 0.892 375 N CB 1.733 40.394 38.487 0.290 0.000 1.193 375 N HN 0.670 nan 8.380 nan 0.000 0.487 376 F N -1.407 118.611 119.950 0.113 0.000 2.715 376 F HA 0.655 5.182 4.527 0.000 0.000 0.318 376 F C -1.133 174.713 175.800 0.077 0.000 1.141 376 F CA -1.138 56.908 58.000 0.076 0.000 0.950 376 F CB 0.746 39.784 39.000 0.063 0.000 1.374 376 F HN -0.039 nan 8.300 nan 0.000 0.477 377 V N 2.142 122.188 119.914 0.219 0.000 2.328 377 V HA 0.248 4.368 4.120 -0.000 0.000 0.278 377 V C -0.223 175.985 176.094 0.190 0.000 1.021 377 V CA -0.477 61.881 62.300 0.096 0.000 0.838 377 V CB 0.415 32.294 31.823 0.094 0.000 0.999 377 V HN 0.813 nan 8.190 nan 0.000 0.447 378 H N 8.556 127.616 119.070 -0.018 0.000 2.683 378 H HA 0.235 4.791 4.556 0.000 0.000 0.339 378 H C -1.534 173.790 175.328 -0.007 0.000 1.081 378 H CA -1.601 54.481 56.048 0.057 0.000 1.432 378 H CB 2.314 32.062 29.762 -0.022 0.000 1.462 378 H HN 0.365 nan 8.280 nan 0.000 0.557 379 P HA -0.089 nan 4.420 nan 0.000 0.218 379 P C 0.893 178.248 177.300 0.091 0.000 1.152 379 P CA 1.089 64.213 63.100 0.041 0.000 0.826 379 P CB 0.649 32.318 31.700 -0.051 0.000 0.790 380 K N -2.308 118.192 120.400 0.165 0.000 2.358 380 K HA 0.100 4.420 4.320 -0.000 0.000 0.200 380 K C 0.691 177.049 176.600 -0.404 0.000 1.030 380 K CA 0.344 56.552 56.287 -0.131 0.000 1.097 380 K CB 0.104 32.444 32.500 -0.266 0.000 0.862 380 K HN -0.032 nan 8.250 nan 0.000 0.534 381 Y N -1.625 118.565 120.300 -0.184 0.000 2.435 381 Y HA 0.402 4.952 4.550 -0.000 0.000 0.270 381 Y C 0.854 176.472 175.900 -0.470 0.000 1.093 381 Y CA -0.287 57.491 58.100 -0.536 0.000 1.226 381 Y CB 0.960 38.828 38.460 -0.987 0.000 1.289 381 Y HN 0.074 nan 8.280 nan 0.000 0.529 382 G N 0.793 109.440 108.800 -0.255 0.000 2.685 382 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.387 382 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.387 382 G C -2.872 171.848 174.900 -0.301 0.000 1.324 382 G CA -1.315 43.454 45.100 -0.552 0.000 0.878 382 G HN -0.120 nan 8.290 nan 0.000 0.527 383 P HA 0.310 nan 4.420 nan 0.000 0.258 383 P C 0.455 177.660 177.300 -0.157 0.000 1.172 383 P CA 0.789 63.814 63.100 -0.125 0.000 0.762 383 P CB 0.543 32.227 31.700 -0.025 0.000 0.764 384 V N 1.158 120.930 119.914 -0.237 0.000 3.155 384 V HA 0.754 4.874 4.120 -0.000 0.000 0.313 384 V C -1.461 174.610 176.094 -0.039 0.000 1.162 384 V CA -1.202 60.977 62.300 -0.201 0.000 1.048 384 V CB 2.403 34.002 31.823 -0.373 0.000 1.092 384 V HN 0.519 nan 8.190 nan 0.000 0.447 385 W N 1.425 122.666 121.300 -0.098 0.000 2.781 385 W HA 0.782 5.442 4.660 0.000 0.000 0.333 385 W C -0.339 176.215 176.519 0.058 0.000 1.047 385 W CA 0.062 57.432 57.345 0.041 0.000 1.236 385 W CB 2.065 31.601 29.460 0.127 0.000 1.394 385 W HN 1.014 nan 8.180 nan 0.000 0.466 386 S N 3.261 118.722 115.700 -0.399 0.000 2.607 386 S HA 0.863 5.333 4.470 -0.000 0.000 0.303 386 S C -0.795 173.318 174.600 -0.811 0.000 1.086 386 S CA -0.785 57.184 58.200 -0.385 0.000 0.995 386 S CB 2.055 65.240 63.200 -0.026 0.000 1.084 386 S HN 0.537 nan 8.310 nan 0.000 0.507 387 T N 0.885 115.143 114.554 -0.494 0.000 3.032 387 T HA 0.591 4.941 4.350 -0.000 0.000 0.312 387 T C -0.468 174.099 174.700 -0.222 0.000 1.078 387 T CA -0.500 61.318 62.100 -0.470 0.000 1.028 387 T CB 1.034 69.580 68.868 -0.536 0.000 1.091 387 T HN 1.021 nan 8.240 nan 0.000 0.457 388 S N 3.784 119.387 115.700 -0.161 0.000 2.669 388 S HA 0.746 5.216 4.470 -0.000 0.000 0.270 388 S C -0.480 174.077 174.600 -0.070 0.000 1.225 388 S CA -0.529 57.675 58.200 0.007 0.000 0.991 388 S CB 0.631 63.839 63.200 0.014 0.000 0.987 388 S HN 0.826 nan 8.310 nan 0.000 0.552 389 H N -0.881 118.178 119.070 -0.017 0.000 2.812 389 H HA 0.603 5.159 4.556 -0.000 0.000 0.355 389 H C 0.339 175.671 175.328 0.007 0.000 1.207 389 H CA -0.936 55.111 56.048 -0.001 0.000 1.217 389 H CB 0.823 30.590 29.762 0.009 0.000 1.874 389 H HN 0.435 nan 8.280 nan 0.000 0.581 390 L N -0.797 120.518 121.223 0.153 0.000 2.445 390 L HA 0.259 4.599 4.340 -0.000 0.000 0.207 390 L C 2.259 179.180 176.870 0.084 0.000 1.053 390 L CA 0.987 55.886 54.840 0.098 0.000 0.841 390 L CB 0.006 42.108 42.059 0.071 0.000 1.074 390 L HN 0.793 nan 8.230 nan 0.000 0.479 391 G N -1.037 107.812 108.800 0.081 0.000 2.411 391 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.213 391 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.213 391 G C 0.177 175.100 174.900 0.038 0.000 1.166 391 G CA 0.272 45.401 45.100 0.047 0.000 0.802 391 G HN 0.167 nan 8.290 nan 0.000 0.533 392 D N -1.188 119.237 120.400 0.041 0.000 2.494 392 D HA 0.596 5.236 4.640 -0.000 0.000 0.259 392 D C 0.387 176.694 176.300 0.011 0.000 1.109 392 D CA -0.065 53.929 54.000 -0.010 0.000 1.040 392 D CB 1.547 42.285 40.800 -0.104 0.000 1.175 392 D HN 0.190 nan 8.370 nan 0.000 0.584 393 G N -1.212 107.572 108.800 -0.028 0.000 2.568 393 G HA2 0.596 4.556 3.960 -0.000 0.000 0.313 393 G HA3 0.596 4.556 3.960 -0.000 0.000 0.313 393 G C -0.746 174.098 174.900 -0.092 0.000 1.227 393 G CA -0.381 44.720 45.100 0.002 0.000 0.979 393 G HN 0.549 nan 8.290 nan 0.000 0.486 394 S N -1.800 113.883 115.700 -0.029 0.000 2.514 394 S HA -0.024 4.446 4.470 -0.000 0.000 0.296 394 S C -1.793 172.853 174.600 0.077 0.000 0.634 394 S CA -0.607 57.566 58.200 -0.046 0.000 1.427 394 S CB -0.773 62.301 63.200 -0.211 0.000 1.730 394 S HN 0.980 nan 8.310 nan 0.000 0.457 395 I N 3.054 123.659 120.570 0.058 0.000 2.493 395 I HA 0.323 4.493 4.170 -0.000 0.000 0.279 395 I C -0.103 176.062 176.117 0.080 0.000 1.045 395 I CA -0.338 60.998 61.300 0.060 0.000 1.106 395 I CB 1.785 39.707 38.000 -0.131 0.000 1.216 395 I HN 0.485 nan 8.210 nan 0.000 0.459 396 S N 6.689 122.506 115.700 0.195 0.000 2.528 396 S HA 0.494 4.964 4.470 -0.000 0.000 0.277 396 S C -0.089 174.566 174.600 0.092 0.000 1.297 396 S CA -0.384 57.908 58.200 0.153 0.000 1.052 396 S CB 0.615 63.962 63.200 0.245 0.000 0.917 396 S HN 0.364 nan 8.310 nan 0.000 0.492 397 L N 4.807 126.079 121.223 0.081 0.000 2.277 397 L HA 0.503 4.843 4.340 -0.000 0.000 0.284 397 L C -0.642 176.257 176.870 0.048 0.000 1.028 397 L CA -0.275 54.604 54.840 0.065 0.000 0.835 397 L CB 0.432 42.544 42.059 0.088 0.000 1.215 397 L HN 0.509 nan 8.230 nan 0.000 0.425 398 I N 2.408 123.055 120.570 0.128 0.000 2.354 398 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 398 I C 0.984 177.159 176.117 0.097 0.000 0.989 398 I CA -0.440 60.956 61.300 0.160 0.000 1.188 398 I CB 1.690 39.888 38.000 0.331 0.000 1.342 398 I HN 0.547 nan 8.210 nan 0.000 0.457 399 G N 2.736 111.522 108.800 -0.023 0.000 2.406 399 G HA2 0.347 4.307 3.960 -0.000 0.000 0.251 399 G HA3 0.347 4.307 3.960 -0.000 0.000 0.251 399 G C 0.483 175.254 174.900 -0.215 0.000 1.271 399 G CA -0.229 44.792 45.100 -0.131 0.000 0.859 399 G HN 0.728 nan 8.290 nan 0.000 0.540 400 T N -0.996 113.451 114.554 -0.178 0.000 3.308 400 T HA 0.342 4.692 4.350 -0.000 0.000 0.270 400 T C -0.441 174.104 174.700 -0.258 0.000 0.992 400 T CA -0.594 61.390 62.100 -0.194 0.000 0.931 400 T CB 0.428 69.370 68.868 0.123 0.000 1.142 400 T HN 0.352 nan 8.240 nan 0.000 0.525 401 D N 1.120 121.292 120.400 -0.379 0.000 2.375 401 D HA 0.401 5.041 4.640 -0.000 0.000 0.241 401 D C -2.358 173.796 176.300 -0.242 0.000 1.361 401 D CA -1.958 51.941 54.000 -0.168 0.000 0.995 401 D CB 2.377 43.225 40.800 0.081 0.000 1.312 401 D HN -0.060 nan 8.370 nan 0.000 0.576 402 P HA 0.024 nan 4.420 nan 0.000 0.230 402 P C 1.072 178.326 177.300 -0.076 0.000 1.168 402 P CA 0.540 63.524 63.100 -0.194 0.000 0.793 402 P CB 0.288 31.943 31.700 -0.075 0.000 0.851 403 K N -0.227 120.159 120.400 -0.023 0.000 1.991 403 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 403 K C 1.397 177.948 176.600 -0.081 0.000 1.045 403 K CA 1.407 57.682 56.287 -0.021 0.000 0.937 403 K CB -0.759 31.751 32.500 0.017 0.000 0.720 403 K HN -0.009 nan 8.250 nan 0.000 0.438 404 N N 0.268 118.893 118.700 -0.125 0.000 2.388 404 N HA -0.009 4.731 4.740 -0.000 0.000 0.176 404 N C -0.159 174.999 175.510 -0.587 0.000 1.062 404 N CA 0.587 53.437 53.050 -0.334 0.000 0.895 404 N CB 0.390 38.642 38.487 -0.391 0.000 1.018 404 N HN 0.415 nan 8.380 nan 0.000 0.456 405 H N -0.071 118.971 119.070 -0.047 0.000 2.439 405 H HA 0.222 4.779 4.556 0.000 0.000 0.230 405 H C -1.774 173.464 175.328 -0.150 0.000 1.420 405 H CA -1.207 54.815 56.048 -0.044 0.000 1.305 405 H CB 1.126 30.929 29.762 0.069 0.000 1.667 405 H HN 0.071 nan 8.280 nan 0.000 0.515 406 P HA -0.199 nan 4.420 nan 0.000 0.223 406 P C 1.232 178.401 177.300 -0.219 0.000 1.151 406 P CA 1.010 64.003 63.100 -0.178 0.000 0.787 406 P CB 0.587 32.207 31.700 -0.133 0.000 0.788 407 Q N -1.145 118.476 119.800 -0.299 0.000 2.435 407 Q HA -0.103 4.237 4.340 -0.000 0.000 0.207 407 Q C 0.824 176.557 176.000 -0.445 0.000 0.956 407 Q CA 1.227 56.781 55.803 -0.416 0.000 0.917 407 Q CB -0.652 27.746 28.738 -0.567 0.000 0.997 407 Q HN 0.294 nan 8.270 nan 0.000 0.497 408 Y N 0.431 120.647 120.300 -0.140 0.000 2.467 408 Y HA 0.491 5.041 4.550 0.000 0.000 0.259 408 Y C 1.084 176.823 175.900 -0.269 0.000 1.084 408 Y CA -0.738 57.236 58.100 -0.209 0.000 1.275 408 Y CB 0.051 38.379 38.460 -0.220 0.000 1.208 408 Y HN 0.114 nan 8.280 nan 0.000 0.511 409 A N -0.062 122.608 122.820 -0.250 0.000 2.492 409 A HA 0.225 4.545 4.320 -0.000 0.000 0.254 409 A C -0.153 177.100 177.584 -0.553 0.000 1.091 409 A CA 0.022 51.667 52.037 -0.653 0.000 0.768 409 A CB -1.031 17.327 19.000 -1.071 0.000 1.028 409 A HN 0.710 nan 8.150 nan 0.000 0.498 410 W N 0.231 121.499 121.300 -0.053 0.000 3.653 410 W HA -0.187 4.473 4.660 -0.000 0.000 0.339 410 W C 0.178 176.685 176.519 -0.020 0.000 1.296 410 W CA 0.539 57.856 57.345 -0.047 0.000 0.693 410 W CB -1.723 27.700 29.460 -0.061 0.000 2.388 410 W HN 0.694 nan 8.180 nan 0.000 1.300 411 K N 0.583 121.061 120.400 0.130 0.000 2.469 411 K HA 0.338 4.658 4.320 -0.000 0.000 0.254 411 K C -0.154 176.471 176.600 0.041 0.000 0.939 411 K CA -1.297 55.033 56.287 0.072 0.000 0.812 411 K CB 1.935 34.451 32.500 0.027 0.000 1.301 411 K HN -0.128 nan 8.250 nan 0.000 0.433 412 K N 3.575 123.998 120.400 0.039 0.000 2.187 412 K HA 0.040 4.360 4.320 -0.000 0.000 0.242 412 K C 0.997 177.568 176.600 -0.048 0.000 1.179 412 K CA -0.091 56.211 56.287 0.025 0.000 1.097 412 K CB 0.018 32.552 32.500 0.056 0.000 1.634 412 K HN 0.590 nan 8.250 nan 0.000 0.335 413 V N 1.032 120.856 119.914 -0.151 0.000 2.233 413 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 413 V C 1.107 177.030 176.094 -0.284 0.000 1.050 413 V CA 1.495 63.582 62.300 -0.354 0.000 1.010 413 V CB -0.810 30.527 31.823 -0.810 0.000 0.637 413 V HN 0.519 nan 8.190 nan 0.000 0.444 414 A N -0.545 122.173 122.820 -0.170 0.000 2.468 414 A HA 0.824 5.144 4.320 -0.000 0.000 0.277 414 A C -0.199 177.414 177.584 0.047 0.000 1.203 414 A CA -0.430 51.622 52.037 0.025 0.000 0.932 414 A CB 1.486 20.600 19.000 0.190 0.000 1.438 414 A HN 0.614 nan 8.150 nan 0.000 0.468 415 E N -0.715 119.537 120.200 0.088 0.000 2.481 415 E HA 0.473 4.823 4.350 -0.000 0.000 0.301 415 E C -1.912 174.745 176.600 0.094 0.000 0.948 415 E CA -0.304 56.139 56.400 0.071 0.000 0.804 415 E CB 1.131 30.858 29.700 0.046 0.000 1.265 415 E HN 0.600 nan 8.360 nan 0.000 0.406 416 L N 2.004 123.272 121.223 0.075 0.000 2.331 416 L HA 0.585 4.925 4.340 -0.000 0.000 0.268 416 L C -0.231 176.730 176.870 0.152 0.000 1.015 416 L CA -1.130 53.780 54.840 0.118 0.000 0.807 416 L CB 1.569 43.593 42.059 -0.058 0.000 1.293 416 L HN 0.407 nan 8.230 nan 0.000 0.451 417 Q N 0.675 120.668 119.800 0.322 0.000 2.310 417 Q HA 0.437 4.777 4.340 -0.000 0.000 0.270 417 Q C -0.275 176.008 176.000 0.473 0.000 1.025 417 Q CA -0.293 55.693 55.803 0.306 0.000 0.772 417 Q CB 2.336 31.223 28.738 0.249 0.000 1.253 417 Q HN 0.848 nan 8.270 nan 0.000 0.450 418 G N 0.932 109.881 108.800 0.249 0.000 2.532 418 G HA2 0.141 4.101 3.960 -0.000 0.000 0.291 418 G HA3 0.141 4.101 3.960 -0.000 0.000 0.291 418 G C 0.625 175.431 174.900 -0.157 0.000 1.349 418 G CA -0.122 44.987 45.100 0.016 0.000 1.038 418 G HN 0.571 nan 8.290 nan 0.000 0.518 419 Q N -0.802 118.756 119.800 -0.404 0.000 2.061 419 Q HA 0.117 4.457 4.340 -0.000 0.000 0.204 419 Q C 1.215 177.206 176.000 -0.015 0.000 0.984 419 Q CA 1.558 57.249 55.803 -0.187 0.000 0.846 419 Q CB -0.106 28.513 28.738 -0.198 0.000 0.902 419 Q HN 0.661 nan 8.270 nan 0.000 0.421 420 G N -1.788 107.002 108.800 -0.017 0.000 2.428 420 G HA2 0.422 4.382 3.960 -0.000 0.000 0.304 420 G HA3 0.422 4.382 3.960 -0.000 0.000 0.304 420 G C -0.966 173.951 174.900 0.027 0.000 1.303 420 G CA -0.571 44.539 45.100 0.018 0.000 0.825 420 G HN 0.255 nan 8.290 nan 0.000 0.484 421 G N -1.876 106.946 108.800 0.038 0.000 2.651 421 G HA2 0.546 4.506 3.960 -0.000 0.000 0.260 421 G HA3 0.546 4.506 3.960 -0.000 0.000 0.260 421 G C 1.226 176.166 174.900 0.067 0.000 1.216 421 G CA 0.942 46.074 45.100 0.053 0.000 0.913 421 G HN 2.295 nan 8.290 nan 0.000 0.535 422 G N -1.771 107.082 108.800 0.088 0.000 2.137 422 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.237 422 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.237 422 G C 0.492 175.452 174.900 0.100 0.000 1.002 422 G CA 0.691 45.870 45.100 0.130 0.000 0.702 422 G HN 1.372 nan 8.290 nan 0.000 0.515 423 S N -0.725 115.012 115.700 0.061 0.000 2.513 423 S HA 0.644 5.114 4.470 -0.000 0.000 0.276 423 S C 1.359 175.930 174.600 -0.048 0.000 1.254 423 S CA -0.464 57.746 58.200 0.018 0.000 1.053 423 S CB 0.985 64.206 63.200 0.035 0.000 0.958 423 S HN 0.307 nan 8.310 nan 0.000 0.491 424 L N 4.767 125.901 121.223 -0.148 0.000 2.349 424 L HA 0.536 4.876 4.340 -0.000 0.000 0.200 424 L C -0.303 176.145 176.870 -0.703 0.000 1.064 424 L CA 1.146 55.708 54.840 -0.463 0.000 0.821 424 L CB -0.239 41.434 42.059 -0.643 0.000 1.027 424 L HN 0.609 nan 8.230 nan 0.000 0.476 425 F N -0.859 119.107 119.950 0.026 0.000 2.611 425 F HA 0.647 5.174 4.527 -0.000 0.000 0.324 425 F C -0.205 175.615 175.800 0.034 0.000 1.061 425 F CA -1.469 56.538 58.000 0.012 0.000 0.954 425 F CB 1.614 40.611 39.000 -0.003 0.000 1.301 425 F HN -0.211 nan 8.300 nan 0.000 0.482 426 I N -0.088 120.630 120.570 0.247 0.000 2.752 426 I HA 0.819 4.989 4.170 -0.000 0.000 0.295 426 I C -1.644 174.601 176.117 0.213 0.000 1.219 426 I CA -0.778 60.635 61.300 0.188 0.000 1.030 426 I CB 2.505 40.546 38.000 0.070 0.000 1.259 426 I HN 0.524 nan 8.210 nan 0.000 0.423 427 K N 2.581 123.157 120.400 0.294 0.000 2.512 427 K HA 0.832 5.152 4.320 -0.000 0.000 0.263 427 K C -1.151 175.755 176.600 0.512 0.000 0.966 427 K CA -0.413 56.093 56.287 0.365 0.000 0.851 427 K CB 2.564 35.270 32.500 0.342 0.000 1.395 427 K HN 0.887 nan 8.250 nan 0.000 0.440 428 T N -0.077 114.760 114.554 0.471 0.000 2.762 428 T HA 0.437 4.787 4.350 -0.000 0.000 0.301 428 T C -2.213 172.483 174.700 -0.006 0.000 1.299 428 T CA -0.497 61.814 62.100 0.352 0.000 1.005 428 T CB 0.791 69.807 68.868 0.247 0.000 1.377 428 T HN 0.555 nan 8.240 nan 0.000 0.504 429 H N 0.821 119.715 119.070 -0.294 0.000 3.046 429 H HA 0.379 4.935 4.556 0.000 0.000 0.363 429 H C -2.197 173.047 175.328 -0.140 0.000 1.203 429 H CA -1.491 54.311 56.048 -0.410 0.000 1.169 429 H CB 2.568 31.730 29.762 -0.999 0.000 1.851 429 H HN 0.397 nan 8.280 nan 0.000 0.546 430 P HA -0.073 nan 4.420 nan 0.000 0.225 430 P C 1.073 178.473 177.300 0.167 0.000 1.148 430 P CA 0.724 63.851 63.100 0.046 0.000 0.779 430 P CB 0.534 32.207 31.700 -0.045 0.000 0.780 431 K N 0.014 120.633 120.400 0.365 0.000 2.167 431 K HA 0.076 4.396 4.320 -0.000 0.000 0.203 431 K C 1.028 177.687 176.600 0.098 0.000 1.052 431 K CA 0.861 57.256 56.287 0.181 0.000 0.956 431 K CB -0.124 32.439 32.500 0.105 0.000 0.735 431 K HN 0.328 nan 8.250 nan 0.000 0.451 432 S N -1.534 114.230 115.700 0.106 0.000 2.579 432 S HA 0.072 4.542 4.470 -0.000 0.000 0.290 432 S C 0.479 175.150 174.600 0.118 0.000 1.123 432 S CA 0.107 58.358 58.200 0.085 0.000 0.894 432 S CB 1.077 64.310 63.200 0.055 0.000 1.095 432 S HN 0.164 nan 8.310 nan 0.000 0.450 433 S N 0.996 116.679 115.700 -0.028 0.000 2.500 433 S HA -0.287 4.183 4.470 -0.000 0.000 0.306 433 S C 0.426 174.869 174.600 -0.261 0.000 1.065 433 S CA 1.972 60.046 58.200 -0.209 0.000 1.063 433 S CB -1.600 61.394 63.200 -0.343 0.000 0.664 433 S HN 0.978 nan 8.310 nan 0.000 0.504 434 H N -0.457 118.698 119.070 0.141 0.000 2.529 434 H HA 0.721 5.277 4.556 0.000 0.000 0.348 434 H C -0.508 174.842 175.328 0.036 0.000 1.152 434 H CA -1.021 55.028 56.048 0.002 0.000 1.202 434 H CB 1.280 30.983 29.762 -0.097 0.000 1.562 434 H HN 0.158 nan 8.280 nan 0.000 0.515 435 L N 3.210 124.471 121.223 0.064 0.000 2.296 435 L HA 0.340 4.680 4.340 -0.000 0.000 0.286 435 L C -1.648 175.281 176.870 0.099 0.000 1.023 435 L CA -0.454 54.454 54.840 0.113 0.000 0.812 435 L CB 0.096 42.123 42.059 -0.054 0.000 1.223 435 L HN 0.513 nan 8.230 nan 0.000 0.421 436 Y N 4.576 125.047 120.300 0.285 0.000 2.331 436 Y HA 0.571 5.121 4.550 -0.000 0.000 0.338 436 Y C -0.012 176.030 175.900 0.237 0.000 0.992 436 Y CA -0.918 57.355 58.100 0.289 0.000 1.121 436 Y CB 1.816 40.463 38.460 0.312 0.000 1.184 436 Y HN 0.443 nan 8.280 nan 0.000 0.469 437 V N 2.140 122.262 119.914 0.346 0.000 2.407 437 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 437 V C -0.663 175.548 176.094 0.196 0.000 1.018 437 V CA -0.752 61.687 62.300 0.231 0.000 0.842 437 V CB 1.107 33.016 31.823 0.143 0.000 0.996 437 V HN 0.769 nan 8.190 nan 0.000 0.426 438 D N 3.591 124.115 120.400 0.208 0.000 2.387 438 D HA 0.509 5.149 4.640 -0.000 0.000 0.251 438 D C -0.046 176.300 176.300 0.077 0.000 1.141 438 D CA -0.219 53.879 54.000 0.163 0.000 0.987 438 D CB 1.865 42.808 40.800 0.238 0.000 1.116 438 D HN 0.790 nan 8.370 nan 0.000 0.491 439 T N -0.593 113.982 114.554 0.035 0.000 3.262 439 T HA 0.301 4.651 4.350 -0.000 0.000 0.336 439 T C 0.228 174.913 174.700 -0.025 0.000 0.911 439 T CA -0.517 61.587 62.100 0.005 0.000 1.154 439 T CB -0.018 68.847 68.868 -0.006 0.000 1.007 439 T HN 0.336 nan 8.240 nan 0.000 0.488 440 T N 2.948 117.453 114.554 -0.083 0.000 2.976 440 T HA 0.206 4.556 4.350 -0.000 0.000 0.257 440 T C 0.245 174.745 174.700 -0.334 0.000 1.051 440 T CA 0.680 62.627 62.100 -0.254 0.000 1.141 440 T CB -0.091 68.529 68.868 -0.413 0.000 0.881 440 T HN 0.554 nan 8.240 nan 0.000 0.461 441 F N 2.617 122.606 119.950 0.065 0.000 2.550 441 F HA 0.469 4.996 4.527 -0.000 0.000 0.312 441 F C 0.372 176.183 175.800 0.019 0.000 1.256 441 F CA -1.859 56.164 58.000 0.038 0.000 1.182 441 F CB -0.261 38.768 39.000 0.048 0.000 1.383 441 F HN 0.004 nan 8.300 nan 0.000 0.541 442 N N 2.240 121.039 118.700 0.165 0.000 2.321 442 N HA 0.315 5.055 4.740 -0.000 0.000 0.299 442 N C -1.748 173.807 175.510 0.076 0.000 1.048 442 N CA -1.753 51.355 53.050 0.095 0.000 0.836 442 N CB 2.779 41.297 38.487 0.052 0.000 1.269 442 N HN -0.030 nan 8.380 nan 0.000 0.486 443 P HA -0.025 nan 4.420 nan 0.000 0.220 443 P C -0.613 176.700 177.300 0.021 0.000 1.148 443 P CA 0.809 63.930 63.100 0.035 0.000 0.803 443 P CB 0.209 31.923 31.700 0.023 0.000 0.782 444 D N 0.360 120.770 120.400 0.017 0.000 2.349 444 D HA 0.211 4.851 4.640 -0.000 0.000 0.266 444 D C 1.488 177.787 176.300 -0.002 0.000 1.293 444 D CA 0.232 54.236 54.000 0.006 0.000 0.926 444 D CB 0.746 41.548 40.800 0.005 0.000 1.090 444 D HN 0.023 nan 8.370 nan 0.000 0.502 445 A N 4.290 127.106 122.820 -0.007 0.000 1.903 445 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 445 A C 2.139 179.704 177.584 -0.031 0.000 1.191 445 A CA 1.359 53.386 52.037 -0.016 0.000 0.638 445 A CB -0.244 18.745 19.000 -0.018 0.000 0.823 445 A HN 0.518 nan 8.150 nan 0.000 0.451 446 R N -0.731 119.748 120.500 -0.035 0.000 2.081 446 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 446 R C 2.057 178.320 176.300 -0.062 0.000 1.131 446 R CA 1.589 57.657 56.100 -0.054 0.000 0.960 446 R CB -0.372 29.899 30.300 -0.049 0.000 0.856 446 R HN 0.643 nan 8.270 nan 0.000 0.436 447 I N 0.371 120.916 120.570 -0.042 0.000 2.252 447 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 447 I C 2.108 178.197 176.117 -0.047 0.000 1.102 447 I CA 1.401 62.675 61.300 -0.043 0.000 1.385 447 I CB -0.248 37.739 38.000 -0.022 0.000 1.064 447 I HN 0.198 nan 8.210 nan 0.000 0.414 448 S N -0.183 115.499 115.700 -0.031 0.000 2.607 448 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 448 S C 1.282 175.853 174.600 -0.048 0.000 0.969 448 S CA 0.395 58.577 58.200 -0.029 0.000 0.927 448 S CB -0.170 63.029 63.200 -0.003 0.000 0.772 448 S HN 0.529 nan 8.310 nan 0.000 0.533 449 Q N 1.030 120.788 119.800 -0.070 0.000 2.112 449 Q HA 0.299 4.639 4.340 -0.000 0.000 0.222 449 Q C -0.359 175.548 176.000 -0.155 0.000 0.798 449 Q CA -0.208 55.539 55.803 -0.093 0.000 1.060 449 Q CB 1.222 29.907 28.738 -0.087 0.000 1.184 449 Q HN 0.682 nan 8.270 nan 0.000 0.475 450 S N -1.147 114.460 115.700 -0.154 0.000 2.625 450 S HA 0.748 5.218 4.470 -0.000 0.000 0.271 450 S C -0.728 173.769 174.600 -0.171 0.000 1.161 450 S CA -0.847 57.222 58.200 -0.219 0.000 0.820 450 S CB 1.770 64.841 63.200 -0.215 0.000 1.137 450 S HN 0.112 nan 8.310 nan 0.000 0.470 451 V N -1.565 118.228 119.914 -0.202 0.000 2.680 451 V HA 0.974 5.094 4.120 -0.000 0.000 0.309 451 V C 0.001 176.049 176.094 -0.076 0.000 1.052 451 V CA -0.800 61.451 62.300 -0.080 0.000 0.908 451 V CB 1.035 32.878 31.823 0.034 0.000 1.001 451 V HN 1.584 nan 8.190 nan 0.000 0.431 452 A N 4.144 126.922 122.820 -0.070 0.000 2.310 452 A HA 0.695 5.015 4.320 -0.000 0.000 0.300 452 A C -0.161 177.434 177.584 0.018 0.000 1.269 452 A CA -0.410 51.525 52.037 -0.170 0.000 0.909 452 A CB 0.116 18.839 19.000 -0.461 0.000 1.144 452 A HN 1.351 nan 8.150 nan 0.000 0.540 453 V N 3.990 123.852 119.914 -0.087 0.000 2.333 453 V HA 0.366 4.486 4.120 -0.000 0.000 0.274 453 V C -0.416 175.594 176.094 -0.141 0.000 1.028 453 V CA -0.285 61.919 62.300 -0.160 0.000 0.851 453 V CB -0.120 31.489 31.823 -0.356 0.000 1.000 453 V HN 0.669 nan 8.190 nan 0.000 0.456 454 F N 2.261 122.164 119.950 -0.079 0.000 2.380 454 F HA 0.524 5.051 4.527 0.000 0.000 0.321 454 F C 0.451 176.251 175.800 0.001 0.000 1.103 454 F CA -0.830 57.162 58.000 -0.013 0.000 1.067 454 F CB 0.968 39.955 39.000 -0.023 0.000 1.265 454 F HN 0.429 nan 8.300 nan 0.000 0.517 455 D N 1.030 121.542 120.400 0.187 0.000 2.425 455 D HA 0.336 4.976 4.640 -0.000 0.000 0.240 455 D C 0.525 176.833 176.300 0.013 0.000 1.080 455 D CA -0.233 53.833 54.000 0.109 0.000 0.836 455 D CB 0.949 41.809 40.800 0.099 0.000 1.125 455 D HN 0.412 nan 8.370 nan 0.000 0.525 456 L N 2.840 124.002 121.223 -0.101 0.000 2.201 456 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 456 L C 1.780 178.573 176.870 -0.129 0.000 1.105 456 L CA 0.765 55.486 54.840 -0.198 0.000 0.775 456 L CB -0.187 41.666 42.059 -0.345 0.000 0.913 456 L HN 0.312 nan 8.230 nan 0.000 0.440 457 K N 0.425 120.770 120.400 -0.092 0.000 2.569 457 K HA 0.005 4.325 4.320 -0.000 0.000 0.193 457 K C -0.006 176.566 176.600 -0.048 0.000 1.026 457 K CA 0.079 56.325 56.287 -0.068 0.000 1.093 457 K CB -0.114 32.352 32.500 -0.058 0.000 0.849 457 K HN 0.100 nan 8.250 nan 0.000 0.509 458 N N 0.374 119.051 118.700 -0.040 0.000 3.987 458 N HA 0.021 4.761 4.740 -0.000 0.000 0.170 458 N C -0.203 175.316 175.510 0.016 0.000 1.436 458 N CA -0.074 52.967 53.050 -0.015 0.000 0.843 458 N CB -0.078 38.406 38.487 -0.005 0.000 1.734 458 N HN -0.048 nan 8.380 nan 0.000 0.746 459 L N 0.310 121.545 121.223 0.019 0.000 2.395 459 L HA 0.084 4.424 4.340 -0.000 0.000 0.218 459 L C 0.859 177.806 176.870 0.128 0.000 1.130 459 L CA 0.637 55.533 54.840 0.093 0.000 0.826 459 L CB 0.141 42.257 42.059 0.095 0.000 0.941 459 L HN 0.325 nan 8.230 nan 0.000 0.451 460 D N 0.707 121.153 120.400 0.078 0.000 2.317 460 D HA 0.027 4.667 4.640 -0.000 0.000 0.211 460 D C 1.040 177.367 176.300 0.046 0.000 0.966 460 D CA 0.366 54.407 54.000 0.069 0.000 0.876 460 D CB 0.128 40.953 40.800 0.043 0.000 0.927 460 D HN 0.196 nan 8.370 nan 0.000 0.519 461 A N 0.982 123.821 122.820 0.033 0.000 2.401 461 A HA 0.180 4.500 4.320 -0.000 0.000 0.259 461 A C 0.636 178.194 177.584 -0.044 0.000 1.103 461 A CA -0.297 51.732 52.037 -0.014 0.000 0.789 461 A CB 0.689 19.678 19.000 -0.017 0.000 1.035 461 A HN -0.088 nan 8.150 nan 0.000 0.491 462 K N 0.926 121.243 120.400 -0.138 0.000 2.180 462 K HA 0.298 4.618 4.320 -0.000 0.000 0.251 462 K C -0.308 176.032 176.600 -0.433 0.000 1.014 462 K CA -0.223 55.886 56.287 -0.297 0.000 0.913 462 K CB 0.226 32.486 32.500 -0.399 0.000 1.008 462 K HN 0.709 nan 8.250 nan 0.000 0.490 463 Y N -0.276 119.678 120.300 -0.578 0.000 2.385 463 Y HA 0.120 4.670 4.550 -0.000 0.000 0.346 463 Y C -0.195 175.479 175.900 -0.377 0.000 1.270 463 Y CA -0.612 57.056 58.100 -0.721 0.000 1.472 463 Y CB 0.302 38.143 38.460 -1.031 0.000 1.354 463 Y HN 0.348 nan 8.280 nan 0.000 0.611 464 Q N 1.548 121.288 119.800 -0.100 0.000 2.333 464 Q HA 0.465 4.805 4.340 -0.000 0.000 0.265 464 Q C -1.340 174.657 176.000 -0.005 0.000 0.989 464 Q CA -1.010 54.747 55.803 -0.076 0.000 0.842 464 Q CB 2.332 31.005 28.738 -0.109 0.000 1.262 464 Q HN 0.679 nan 8.270 nan 0.000 0.451 465 V N 4.527 124.452 119.914 0.017 0.000 2.405 465 V HA 0.089 4.209 4.120 -0.000 0.000 0.264 465 V C -0.142 175.856 176.094 -0.160 0.000 1.048 465 V CA -0.335 61.945 62.300 -0.033 0.000 0.966 465 V CB 0.236 32.060 31.823 0.001 0.000 1.015 465 V HN 0.561 nan 8.190 nan 0.000 0.477 466 L N 9.445 130.524 121.223 -0.241 0.000 2.260 466 L HA 0.396 4.736 4.340 -0.000 0.000 0.289 466 L C -1.391 175.064 176.870 -0.691 0.000 1.057 466 L CA -1.617 52.948 54.840 -0.458 0.000 0.811 466 L CB 1.333 43.177 42.059 -0.358 0.000 1.184 466 L HN 0.429 nan 8.230 nan 0.000 0.429 467 P HA -0.027 nan 4.420 nan 0.000 0.261 467 P C 1.368 178.091 177.300 -0.961 0.000 1.650 467 P CA -0.059 62.545 63.100 -0.827 0.000 0.846 467 P CB -0.036 31.248 31.700 -0.692 0.000 1.758 468 I N 1.091 121.139 120.570 -0.871 0.000 2.181 468 I HA -0.346 3.824 4.170 -0.000 0.000 0.240 468 I C 2.281 178.261 176.117 -0.229 0.000 1.006 468 I CA 2.324 63.310 61.300 -0.523 0.000 1.284 468 I CB -2.125 35.546 38.000 -0.549 0.000 0.990 468 I HN 0.132 nan 8.210 nan 0.000 0.408 469 A N -0.412 122.283 122.820 -0.208 0.000 2.015 469 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 469 A C 2.378 179.923 177.584 -0.066 0.000 1.163 469 A CA 1.610 53.590 52.037 -0.095 0.000 0.646 469 A CB -0.600 18.349 19.000 -0.084 0.000 0.806 469 A HN 0.601 nan 8.150 nan 0.000 0.448 470 E N -1.281 118.841 120.200 -0.131 0.000 2.107 470 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 470 E C 1.553 178.194 176.600 0.069 0.000 0.982 470 E CA 0.837 57.194 56.400 -0.071 0.000 0.809 470 E CB -0.148 29.464 29.700 -0.147 0.000 0.756 470 E HN 0.771 nan 8.360 nan 0.000 0.459 471 W N 0.497 121.755 121.300 -0.070 0.000 2.425 471 W HA 0.070 4.730 4.660 -0.000 0.000 0.277 471 W C 2.264 178.743 176.519 -0.066 0.000 1.231 471 W CA 0.858 58.161 57.345 -0.072 0.000 1.248 471 W CB -0.825 28.581 29.460 -0.091 0.000 1.117 471 W HN 0.184 nan 8.180 nan 0.000 0.568 472 A N 0.024 122.942 122.820 0.164 0.000 1.972 472 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 472 A C 0.796 178.409 177.584 0.049 0.000 1.169 472 A CA 1.595 53.678 52.037 0.077 0.000 0.635 472 A CB -0.758 18.271 19.000 0.049 0.000 0.810 472 A HN 0.218 nan 8.150 nan 0.000 0.446 473 D N -2.309 118.122 120.400 0.051 0.000 2.760 473 D HA -0.128 4.512 4.640 -0.000 0.000 0.244 473 D C 0.285 176.597 176.300 0.021 0.000 1.123 473 D CA 0.813 54.832 54.000 0.032 0.000 0.719 473 D CB -1.467 39.349 40.800 0.027 0.000 1.045 473 D HN 0.412 nan 8.370 nan 0.000 0.426 474 L N -0.248 120.986 121.223 0.018 0.000 2.408 474 L HA 0.383 4.723 4.340 -0.000 0.000 0.215 474 L C 2.441 179.317 176.870 0.011 0.000 1.081 474 L CA 0.380 55.229 54.840 0.015 0.000 0.840 474 L CB -0.417 41.652 42.059 0.018 0.000 1.002 474 L HN 0.563 nan 8.230 nan 0.000 0.468 475 G N 1.492 110.296 108.800 0.007 0.000 3.031 475 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.289 475 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.289 475 G C 0.119 175.018 174.900 -0.000 0.000 1.393 475 G CA 0.243 45.345 45.100 0.003 0.000 1.010 475 G HN 0.495 nan 8.290 nan 0.000 0.579 476 E N 1.261 121.462 120.200 0.001 0.000 2.283 476 E HA 0.587 4.937 4.350 -0.000 0.000 0.278 476 E C 0.364 176.963 176.600 -0.003 0.000 1.027 476 E CA -0.268 56.132 56.400 -0.001 0.000 0.843 476 E CB 1.657 31.358 29.700 0.001 0.000 1.062 476 E HN 2.130 nan 8.360 nan 0.000 0.401 477 G N 0.805 109.600 108.800 -0.009 0.000 2.357 477 G HA2 0.227 4.187 3.960 -0.000 0.000 0.289 477 G HA3 0.227 4.187 3.960 -0.000 0.000 0.289 477 G C 0.049 174.934 174.900 -0.025 0.000 1.302 477 G CA -0.317 44.773 45.100 -0.016 0.000 0.936 477 G HN 0.648 nan 8.290 nan 0.000 0.513 478 A N -0.558 122.237 122.820 -0.041 0.000 1.975 478 A HA 0.398 4.718 4.320 -0.000 0.000 0.215 478 A C 1.448 179.005 177.584 -0.046 0.000 1.170 478 A CA 1.923 53.929 52.037 -0.052 0.000 0.656 478 A CB -0.651 18.296 19.000 -0.088 0.000 0.821 478 A HN 1.557 nan 8.150 nan 0.000 0.449 479 K N -0.332 120.046 120.400 -0.037 0.000 3.071 479 K HA -0.199 4.121 4.320 -0.000 0.000 0.262 479 K C -0.593 176.002 176.600 -0.009 0.000 0.977 479 K CA 0.613 56.892 56.287 -0.014 0.000 0.721 479 K CB -1.337 31.153 32.500 -0.017 0.000 1.293 479 K HN 0.586 nan 8.250 nan 0.000 0.475 480 R N 0.500 120.992 120.500 -0.013 0.000 2.522 480 R HA 0.122 4.462 4.340 -0.000 0.000 0.284 480 R C 0.188 176.536 176.300 0.080 0.000 1.032 480 R CA -0.187 55.913 56.100 -0.000 0.000 1.049 480 R CB 0.689 30.950 30.300 -0.066 0.000 0.956 480 R HN -0.031 nan 8.270 nan 0.000 0.422 481 V N 5.048 124.986 119.914 0.040 0.000 2.364 481 V HA 0.249 4.369 4.120 -0.000 0.000 0.272 481 V C -0.191 175.976 176.094 0.122 0.000 1.036 481 V CA -0.365 61.981 62.300 0.077 0.000 0.880 481 V CB 1.439 33.261 31.823 -0.001 0.000 0.991 481 V HN 0.455 nan 8.190 nan 0.000 0.460 482 V N 5.603 125.619 119.914 0.170 0.000 2.735 482 V HA 0.571 4.691 4.120 -0.000 0.000 0.310 482 V C -0.272 175.894 176.094 0.119 0.000 1.061 482 V CA -0.381 62.024 62.300 0.175 0.000 0.913 482 V CB 1.690 33.593 31.823 0.132 0.000 1.005 482 V HN 1.055 nan 8.190 nan 0.000 0.428 483 Q N 4.544 124.425 119.800 0.136 0.000 2.821 483 Q HA -0.123 4.217 4.340 -0.000 0.000 0.138 483 Q C -2.593 173.259 176.000 -0.248 0.000 1.496 483 Q CA 0.199 55.876 55.803 -0.209 0.000 0.514 483 Q CB 0.003 28.329 28.738 -0.685 0.000 0.674 483 Q HN 0.582 nan 8.270 nan 0.000 0.317 484 P HA 0.206 nan 4.420 nan 0.000 0.291 484 P C -1.210 175.832 177.300 -0.430 0.000 1.340 484 P CA -0.057 62.691 63.100 -0.588 0.000 0.799 484 P CB 1.197 32.720 31.700 -0.295 0.000 0.917 485 E N 3.367 123.303 120.200 -0.440 0.000 2.185 485 E HA 0.317 4.667 4.350 -0.000 0.000 0.261 485 E C -1.124 175.481 176.600 0.010 0.000 0.879 485 E CA -0.729 55.588 56.400 -0.139 0.000 0.756 485 E CB 0.384 30.012 29.700 -0.119 0.000 1.152 485 E HN 0.216 nan 8.360 nan 0.000 0.416 486 Y N 2.676 123.003 120.300 0.045 0.000 2.281 486 Y HA 0.161 4.712 4.550 0.000 0.000 0.337 486 Y C 1.319 177.328 175.900 0.182 0.000 1.304 486 Y CA 0.018 58.197 58.100 0.132 0.000 1.465 486 Y CB 0.517 39.086 38.460 0.181 0.000 1.350 486 Y HN 0.616 nan 8.280 nan 0.000 0.575 487 N N 0.666 119.605 118.700 0.398 0.000 2.478 487 N HA 0.104 4.844 4.740 -0.000 0.000 0.275 487 N C 0.671 176.279 175.510 0.163 0.000 1.221 487 N CA -0.587 52.617 53.050 0.257 0.000 0.979 487 N CB 0.850 39.538 38.487 0.334 0.000 1.202 487 N HN 0.704 nan 8.380 nan 0.000 0.564 488 K N 0.434 120.880 120.400 0.077 0.000 2.044 488 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 488 K C 1.874 178.507 176.600 0.054 0.000 1.049 488 K CA 1.323 57.648 56.287 0.064 0.000 0.927 488 K CB -0.070 32.366 32.500 -0.107 0.000 0.713 488 K HN 0.567 nan 8.250 nan 0.000 0.443 489 R N -0.858 119.645 120.500 0.006 0.000 2.148 489 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 489 R C 0.947 177.178 176.300 -0.116 0.000 1.103 489 R CA 1.173 57.260 56.100 -0.022 0.000 0.983 489 R CB -0.106 30.198 30.300 0.007 0.000 0.874 489 R HN 0.610 nan 8.270 nan 0.000 0.451 490 G N 0.784 109.442 108.800 -0.238 0.000 2.136 490 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 490 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 490 G C 0.117 174.991 174.900 -0.043 0.000 0.989 490 G CA 0.651 45.404 45.100 -0.577 0.000 0.682 490 G HN 0.616 nan 8.290 nan 0.000 0.522 491 D N -0.369 120.078 120.400 0.077 0.000 2.380 491 D HA 0.157 4.797 4.640 -0.000 0.000 0.212 491 D C 0.832 177.229 176.300 0.162 0.000 1.021 491 D CA 0.766 54.843 54.000 0.129 0.000 0.884 491 D CB 0.110 40.963 40.800 0.087 0.000 1.001 491 D HN 0.601 nan 8.370 nan 0.000 0.506 492 E N 0.051 120.363 120.200 0.188 0.000 2.202 492 E HA 0.587 4.937 4.350 -0.000 0.000 0.272 492 E C -0.989 175.655 176.600 0.073 0.000 0.951 492 E CA -1.079 55.419 56.400 0.164 0.000 0.813 492 E CB 3.003 32.887 29.700 0.308 0.000 1.151 492 E HN -0.170 nan 8.360 nan 0.000 0.398 493 V N 2.090 121.928 119.914 -0.126 0.000 2.482 493 V HA 0.262 4.382 4.120 -0.000 0.000 0.295 493 V C -1.241 174.619 176.094 -0.390 0.000 1.026 493 V CA -1.004 60.974 62.300 -0.537 0.000 0.856 493 V CB 0.454 31.630 31.823 -1.079 0.000 1.001 493 V HN 0.612 nan 8.190 nan 0.000 0.424 494 W N 4.231 125.126 121.300 -0.674 0.000 2.417 494 W HA 0.779 5.440 4.660 0.001 0.000 0.317 494 W C -0.458 175.587 176.519 -0.791 0.000 1.121 494 W CA -0.897 56.107 57.345 -0.567 0.000 1.208 494 W CB 0.787 29.910 29.460 -0.561 0.000 1.253 494 W HN 0.357 nan 8.180 nan 0.000 0.533 495 F N 0.992 120.921 119.950 -0.036 0.000 2.561 495 F HA 0.546 5.073 4.527 -0.000 0.000 0.321 495 F C 0.375 176.159 175.800 -0.028 0.000 1.065 495 F CA -1.124 56.849 58.000 -0.044 0.000 0.934 495 F CB 1.761 40.733 39.000 -0.047 0.000 1.215 495 F HN -0.047 nan 8.300 nan 0.000 0.471 496 S N 1.190 116.988 115.700 0.163 0.000 2.498 496 S HA 0.505 4.975 4.470 -0.000 0.000 0.317 496 S C -0.820 173.864 174.600 0.141 0.000 1.090 496 S CA -0.680 57.577 58.200 0.096 0.000 1.089 496 S CB 1.338 64.537 63.200 -0.002 0.000 0.997 496 S HN 0.319 nan 8.310 nan 0.000 0.470 497 V N 4.613 124.606 119.914 0.132 0.000 2.284 497 V HA 0.194 4.314 4.120 -0.000 0.000 0.260 497 V C -0.466 175.752 176.094 0.206 0.000 1.084 497 V CA -0.721 61.660 62.300 0.135 0.000 0.894 497 V CB -0.332 31.539 31.823 0.080 0.000 1.119 497 V HN 0.864 nan 8.190 nan 0.000 0.484 498 W N 6.156 127.458 121.300 0.002 0.000 2.481 498 W HA 0.443 5.103 4.660 -0.000 0.000 0.320 498 W C -0.074 176.452 176.519 0.013 0.000 1.209 498 W CA -0.530 56.819 57.345 0.005 0.000 1.400 498 W CB 0.254 29.710 29.460 -0.008 0.000 1.361 498 W HN 0.499 nan 8.180 nan 0.000 0.456 499 N N 2.680 121.468 118.700 0.146 0.000 2.321 499 N HA 0.552 5.292 4.740 -0.000 0.000 0.290 499 N C 0.088 175.597 175.510 -0.002 0.000 1.212 499 N CA -0.310 52.736 53.050 -0.008 0.000 0.767 499 N CB 1.720 40.228 38.487 0.035 0.000 1.494 499 N HN 0.473 nan 8.380 nan 0.000 0.479 500 G N 0.877 109.647 108.800 -0.051 0.000 2.707 500 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.231 500 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.231 500 G C 0.975 175.910 174.900 0.058 0.000 1.246 500 G CA 0.075 45.169 45.100 -0.009 0.000 0.852 500 G HN 0.776 nan 8.290 nan 0.000 0.584 501 K N 0.766 121.214 120.400 0.080 0.000 2.089 501 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 501 K C 2.123 178.768 176.600 0.075 0.000 1.048 501 K CA 2.146 58.492 56.287 0.097 0.000 0.926 501 K CB -0.164 32.398 32.500 0.103 0.000 0.714 501 K HN 0.657 nan 8.250 nan 0.000 0.448 502 N N 0.107 118.841 118.700 0.057 0.000 2.368 502 N HA -0.038 4.702 4.740 -0.000 0.000 0.176 502 N C -0.280 175.254 175.510 0.040 0.000 1.021 502 N CA 0.404 53.482 53.050 0.047 0.000 0.888 502 N CB 0.143 38.654 38.487 0.040 0.000 0.995 502 N HN 0.188 nan 8.380 nan 0.000 0.437 503 D N 0.216 120.638 120.400 0.036 0.000 2.354 503 D HA 0.072 4.712 4.640 -0.000 0.000 0.238 503 D C -0.172 176.152 176.300 0.039 0.000 1.250 503 D CA 0.386 54.404 54.000 0.030 0.000 0.911 503 D CB 0.428 41.240 40.800 0.020 0.000 1.163 503 D HN -0.094 nan 8.370 nan 0.000 0.456 504 S N 0.286 116.005 115.700 0.033 0.000 2.474 504 S HA 0.380 4.850 4.470 -0.000 0.000 0.276 504 S C -0.228 174.399 174.600 0.045 0.000 1.227 504 S CA -0.529 57.693 58.200 0.036 0.000 1.050 504 S CB 0.448 63.664 63.200 0.027 0.000 0.939 504 S HN 0.265 nan 8.310 nan 0.000 0.490 505 S N 1.961 117.696 115.700 0.058 0.000 2.568 505 S HA 0.900 5.370 4.470 -0.000 0.000 0.302 505 S C -0.195 174.441 174.600 0.060 0.000 1.082 505 S CA -0.659 57.586 58.200 0.075 0.000 1.009 505 S CB 1.755 65.020 63.200 0.109 0.000 1.069 505 S HN 0.899 nan 8.310 nan 0.000 0.500 506 A N 1.660 124.517 122.820 0.061 0.000 2.593 506 A HA 0.845 5.165 4.320 -0.000 0.000 0.290 506 A C -1.910 175.698 177.584 0.040 0.000 1.126 506 A CA -0.687 51.374 52.037 0.039 0.000 0.695 506 A CB 0.987 20.000 19.000 0.023 0.000 1.290 506 A HN 0.695 nan 8.150 nan 0.000 0.414 507 L N 1.122 122.347 121.223 0.005 0.000 2.343 507 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 507 L C -1.074 175.735 176.870 -0.101 0.000 0.996 507 L CA -0.881 53.951 54.840 -0.014 0.000 0.831 507 L CB 1.788 43.845 42.059 -0.003 0.000 1.232 507 L HN 0.443 nan 8.230 nan 0.000 0.413 508 V N 4.519 124.415 119.914 -0.030 0.000 2.370 508 V HA 0.331 4.451 4.120 -0.000 0.000 0.279 508 V C 0.096 176.116 176.094 -0.123 0.000 1.029 508 V CA -0.594 61.685 62.300 -0.035 0.000 0.870 508 V CB 1.901 33.790 31.823 0.111 0.000 0.984 508 V HN 0.399 nan 8.190 nan 0.000 0.451 509 V N 6.152 125.841 119.914 -0.375 0.000 2.394 509 V HA 0.507 4.627 4.120 -0.000 0.000 0.282 509 V C -0.004 175.950 176.094 -0.233 0.000 1.031 509 V CA -0.495 61.457 62.300 -0.580 0.000 0.881 509 V CB 1.596 32.815 31.823 -1.007 0.000 0.982 509 V HN 0.587 nan 8.190 nan 0.000 0.451 510 V N 3.201 123.070 119.914 -0.075 0.000 2.715 510 V HA 0.431 4.551 4.120 -0.000 0.000 0.310 510 V C -0.232 175.868 176.094 0.010 0.000 1.054 510 V CA -0.675 61.647 62.300 0.037 0.000 0.928 510 V CB 2.209 34.211 31.823 0.298 0.000 1.007 510 V HN 0.911 nan 8.190 nan 0.000 0.437 511 D N 2.100 122.511 120.400 0.019 0.000 2.313 511 D HA 0.098 4.738 4.640 -0.000 0.000 0.239 511 D C 0.623 177.006 176.300 0.140 0.000 1.142 511 D CA -0.105 53.927 54.000 0.054 0.000 0.847 511 D CB 1.740 42.549 40.800 0.014 0.000 1.082 511 D HN 0.740 nan 8.370 nan 0.000 0.480 512 D N 3.761 124.284 120.400 0.205 0.000 2.123 512 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 512 D C 1.770 178.300 176.300 0.384 0.000 0.992 512 D CA 1.424 55.644 54.000 0.368 0.000 0.833 512 D CB 0.308 41.375 40.800 0.445 0.000 0.954 512 D HN 0.377 nan 8.370 nan 0.000 0.455 513 K N -1.028 119.527 120.400 0.258 0.000 2.025 513 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 513 K C 2.052 178.766 176.600 0.189 0.000 1.049 513 K CA 1.743 58.166 56.287 0.227 0.000 0.933 513 K CB -0.170 32.412 32.500 0.136 0.000 0.714 513 K HN 0.318 nan 8.250 nan 0.000 0.438 514 T N -1.629 112.994 114.554 0.114 0.000 3.014 514 T HA 0.053 4.403 4.350 -0.000 0.000 0.263 514 T C 1.159 175.880 174.700 0.035 0.000 1.078 514 T CA 0.658 62.794 62.100 0.060 0.000 1.135 514 T CB -0.159 68.720 68.868 0.018 0.000 0.895 514 T HN 0.364 nan 8.240 nan 0.000 0.480 515 L N -0.692 120.560 121.223 0.049 0.000 4.496 515 L HA -0.182 4.158 4.340 -0.000 0.000 0.419 515 L C 0.249 177.179 176.870 0.100 0.000 1.139 515 L CA 0.670 55.542 54.840 0.054 0.000 0.975 515 L CB -1.615 40.403 42.059 -0.068 0.000 2.099 515 L HN 0.373 nan 8.230 nan 0.000 0.818 516 K N 0.095 120.487 120.400 -0.014 0.000 2.211 516 K HA 0.628 4.948 4.320 -0.000 0.000 0.237 516 K C -0.259 176.108 176.600 -0.389 0.000 1.002 516 K CA -1.127 55.034 56.287 -0.211 0.000 0.885 516 K CB 1.989 34.376 32.500 -0.188 0.000 1.136 516 K HN -0.015 nan 8.250 nan 0.000 0.448 517 L N 1.808 122.544 121.223 -0.811 0.000 2.410 517 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 517 L C 0.930 177.568 176.870 -0.386 0.000 1.152 517 L CA 0.866 55.270 54.840 -0.726 0.000 0.855 517 L CB 0.560 41.991 42.059 -1.046 0.000 1.129 517 L HN 0.645 nan 8.230 nan 0.000 0.463 518 K N 3.646 123.879 120.400 -0.277 0.000 2.306 518 K HA 0.525 4.845 4.320 -0.000 0.000 0.200 518 K C -0.110 176.361 176.600 -0.214 0.000 1.083 518 K CA 0.532 56.694 56.287 -0.208 0.000 0.959 518 K CB 0.478 32.880 32.500 -0.163 0.000 0.994 518 K HN 0.788 nan 8.250 nan 0.000 0.492 519 A N -0.014 122.652 122.820 -0.256 0.000 2.601 519 A HA 0.543 4.863 4.320 -0.000 0.000 0.291 519 A C -1.791 175.638 177.584 -0.258 0.000 1.075 519 A CA -0.698 51.194 52.037 -0.243 0.000 0.671 519 A CB 1.841 20.692 19.000 -0.248 0.000 1.277 519 A HN -0.088 nan 8.150 nan 0.000 0.417 520 V N 0.992 120.787 119.914 -0.199 0.000 2.524 520 V HA 0.439 4.559 4.120 -0.000 0.000 0.297 520 V C -0.553 175.458 176.094 -0.139 0.000 1.035 520 V CA -0.603 61.602 62.300 -0.157 0.000 0.867 520 V CB 1.453 33.228 31.823 -0.080 0.000 1.004 520 V HN 0.771 nan 8.190 nan 0.000 0.426 521 V N 5.207 125.024 119.914 -0.161 0.000 2.408 521 V HA 0.436 4.556 4.120 -0.000 0.000 0.267 521 V C 0.192 176.263 176.094 -0.038 0.000 1.047 521 V CA -0.372 61.872 62.300 -0.094 0.000 0.937 521 V CB 0.848 32.622 31.823 -0.081 0.000 0.999 521 V HN 0.800 nan 8.190 nan 0.000 0.472 522 K N 3.298 123.687 120.400 -0.018 0.000 2.371 522 K HA 0.754 5.074 4.320 -0.000 0.000 0.251 522 K C -1.435 175.174 176.600 0.014 0.000 0.934 522 K CA -0.774 55.514 56.287 0.002 0.000 0.798 522 K CB 2.336 34.836 32.500 -0.001 0.000 1.204 522 K HN 0.781 nan 8.250 nan 0.000 0.427 523 D N 0.531 120.946 120.400 0.024 0.000 2.751 523 D HA 0.104 4.744 4.640 -0.000 0.000 0.236 523 D C -2.238 174.083 176.300 0.036 0.000 1.196 523 D CA -0.760 53.257 54.000 0.030 0.000 0.741 523 D CB 1.658 42.479 40.800 0.035 0.000 1.474 523 D HN 0.173 nan 8.370 nan 0.000 0.452 524 P HA 0.043 nan 4.420 nan 0.000 0.231 524 P C 0.891 178.218 177.300 0.045 0.000 1.168 524 P CA 0.426 63.549 63.100 0.039 0.000 0.779 524 P CB 0.473 32.193 31.700 0.034 0.000 0.844 525 R N -0.276 120.251 120.500 0.044 0.000 2.189 525 R HA 0.107 4.447 4.340 -0.000 0.000 0.218 525 R C 1.487 177.818 176.300 0.052 0.000 1.074 525 R CA 0.148 56.276 56.100 0.047 0.000 0.991 525 R CB -0.546 29.781 30.300 0.045 0.000 0.883 525 R HN 0.190 nan 8.270 nan 0.000 0.457 526 L N 2.592 123.846 121.223 0.053 0.000 2.416 526 L HA 0.193 4.533 4.340 -0.000 0.000 0.243 526 L C -0.660 176.251 176.870 0.069 0.000 1.373 526 L CA -0.011 54.863 54.840 0.058 0.000 1.227 526 L CB -0.016 42.076 42.059 0.055 0.000 1.428 526 L HN 0.057 nan 8.230 nan 0.000 0.425 527 I N 3.124 123.737 120.570 0.072 0.000 2.352 527 I HA 0.070 4.240 4.170 -0.000 0.000 0.290 527 I C 0.758 176.942 176.117 0.111 0.000 1.036 527 I CA -0.254 61.100 61.300 0.091 0.000 1.336 527 I CB 0.895 38.947 38.000 0.087 0.000 1.407 527 I HN 0.622 nan 8.210 nan 0.000 0.497 528 T N 4.282 118.939 114.554 0.172 0.000 3.177 528 T HA -0.093 4.257 4.350 -0.000 0.000 0.439 528 T C -2.261 172.497 174.700 0.097 0.000 0.771 528 T CA -0.826 61.444 62.100 0.283 0.000 2.254 528 T CB -1.790 67.311 68.868 0.389 0.000 1.667 528 T HN 0.443 nan 8.240 nan 0.000 0.619 529 P HA 0.223 nan 4.420 nan 0.000 0.276 529 P C 1.032 178.201 177.300 -0.218 0.000 1.253 529 P CA -0.084 62.988 63.100 -0.046 0.000 0.766 529 P CB 1.548 33.261 31.700 0.022 0.000 0.845 530 T N 1.254 115.600 114.554 -0.346 0.000 3.556 530 T HA 0.299 4.649 4.350 -0.000 0.000 0.204 530 T C 1.044 175.531 174.700 -0.355 0.000 0.896 530 T CA 0.192 61.975 62.100 -0.528 0.000 1.380 530 T CB -0.855 67.546 68.868 -0.778 0.000 1.584 530 T HN 0.324 nan 8.240 nan 0.000 0.411 531 G N 2.085 110.696 108.800 -0.315 0.000 2.353 531 G HA2 0.559 4.519 3.960 -0.000 0.000 0.284 531 G HA3 0.559 4.519 3.960 -0.000 0.000 0.284 531 G C -1.103 173.611 174.900 -0.309 0.000 1.172 531 G CA -0.697 44.180 45.100 -0.372 0.000 0.854 531 G HN 0.533 nan 8.290 nan 0.000 0.485 532 K N 1.538 121.639 120.400 -0.497 0.000 2.323 532 K HA 0.454 4.774 4.320 -0.000 0.000 0.259 532 K C -1.428 174.863 176.600 -0.514 0.000 0.947 532 K CA -0.402 55.745 56.287 -0.234 0.000 0.819 532 K CB 2.082 34.557 32.500 -0.042 0.000 1.109 532 K HN 0.370 nan 8.250 nan 0.000 0.429 533 F N 1.824 121.749 119.950 -0.042 0.000 2.445 533 F HA 0.237 4.764 4.527 0.000 0.000 0.348 533 F C 0.429 176.025 175.800 -0.339 0.000 1.125 533 F CA -0.893 57.019 58.000 -0.146 0.000 0.983 533 F CB 1.325 40.255 39.000 -0.117 0.000 1.198 533 F HN 0.485 nan 8.300 nan 0.000 0.436 534 N N 3.023 121.463 118.700 -0.433 0.000 2.442 534 N HA 0.087 4.827 4.740 -0.000 0.000 0.265 534 N C 1.096 176.440 175.510 -0.275 0.000 1.138 534 N CA -0.119 52.441 53.050 -0.816 0.000 0.956 534 N CB 1.271 39.221 38.487 -0.895 0.000 1.067 534 N HN 0.479 nan 8.380 nan 0.000 0.474 535 V N 4.703 124.483 119.914 -0.223 0.000 2.233 535 V HA -0.322 3.798 4.120 -0.000 0.000 0.252 535 V C 1.769 177.888 176.094 0.042 0.000 1.063 535 V CA 1.950 64.217 62.300 -0.055 0.000 1.032 535 V CB -1.054 30.750 31.823 -0.032 0.000 0.645 535 V HN 0.759 nan 8.190 nan 0.000 0.446 536 Y N 1.382 121.665 120.300 -0.029 0.000 2.163 536 Y HA -0.184 4.366 4.550 0.000 0.000 0.288 536 Y C 2.550 178.527 175.900 0.128 0.000 1.136 536 Y CA 2.005 60.161 58.100 0.093 0.000 1.147 536 Y CB -0.306 38.204 38.460 0.082 0.000 0.987 536 Y HN 0.291 nan 8.280 nan 0.000 0.509 537 N N -0.675 118.148 118.700 0.205 0.000 2.223 537 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 537 N C 1.673 177.265 175.510 0.136 0.000 1.016 537 N CA 1.880 55.028 53.050 0.164 0.000 0.863 537 N CB -0.610 37.980 38.487 0.172 0.000 0.983 537 N HN 0.394 nan 8.380 nan 0.000 0.429 538 T N 0.671 115.288 114.554 0.105 0.000 2.809 538 T HA -0.095 4.255 4.350 -0.000 0.000 0.260 538 T C 1.835 176.569 174.700 0.058 0.000 1.039 538 T CA 0.738 62.920 62.100 0.138 0.000 1.141 538 T CB -0.076 68.870 68.868 0.129 0.000 0.869 538 T HN 0.288 nan 8.240 nan 0.000 0.437 539 Q N 0.482 120.255 119.800 -0.045 0.000 2.030 539 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 539 Q C 1.520 177.333 176.000 -0.311 0.000 0.986 539 Q CA 1.479 57.169 55.803 -0.189 0.000 0.843 539 Q CB -0.113 28.466 28.738 -0.265 0.000 0.904 539 Q HN 0.607 nan 8.270 nan 0.000 0.420 540 H N 0.493 119.448 119.070 -0.192 0.000 2.524 540 H HA 0.067 4.623 4.556 -0.000 0.000 0.280 540 H C -0.404 174.898 175.328 -0.043 0.000 1.018 540 H CA 0.370 56.308 56.048 -0.183 0.000 1.165 540 H CB 0.327 29.817 29.762 -0.454 0.000 1.411 540 H HN 0.387 nan 8.280 nan 0.000 0.569 541 D N 0.906 121.370 120.400 0.107 0.000 2.737 541 D HA -0.142 4.498 4.640 -0.000 0.000 0.238 541 D C -0.219 176.052 176.300 -0.048 0.000 1.157 541 D CA 0.284 54.394 54.000 0.184 0.000 0.694 541 D CB -1.265 39.639 40.800 0.175 0.000 1.021 541 D HN 0.136 nan 8.370 nan 0.000 0.420 542 V N 1.874 121.828 119.914 0.066 0.000 2.267 542 V HA 0.297 4.417 4.120 -0.000 0.000 0.254 542 V C 0.234 176.369 176.094 0.070 0.000 1.144 542 V CA -0.143 62.133 62.300 -0.040 0.000 0.992 542 V CB -0.792 31.006 31.823 -0.043 0.000 1.199 542 V HN 0.260 nan 8.190 nan 0.000 0.493 543 Y N 0.000 120.349 120.300 0.081 0.000 2.660 543 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 543 Y CA 0.000 58.170 58.100 0.117 0.000 1.940 543 Y CB 0.000 38.576 38.460 0.194 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758