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 1mt5_1_O DATA FIRST_RESID 37 DATA SEQUENCE ARGAATRARQ KQRASLETMD KAVQRFRLQN PDLDSEALLT LPLLQLVQKL DATA SEQUENCE QSGELSPEAV FFTYLGKAWE VNKGTNCVTS YLTDCETQLS QAPRQGLLYG DATA SEQUENCE VPVSLKECFS YKGHDSTLGL SLNEGMPSES DCVVVQVLKL QGAVPFVHTN DATA SEQUENCE VPQSMLSFDC SNPLFGQTMN PWKSSKSPGG SSGGEGALIG SGGSPLGLGT DATA SEQUENCE DIGGSIRFPS AFCGICGLKP TGNRLSKSGL KGCVYGQTAV QLSLGPMARD DATA SEQUENCE VESLALCLKA LLCEHLFTLD PTVPPLPFRE EVYRSSRPLR VGYYETDNYT DATA SEQUENCE MPSPAMRRAL IETKQRLEAA GHTLIPFLPN NIPYALEVLS AGGLFSDGGR DATA SEQUENCE SFLQNFKGDF VDPCLGDLIL ILRLPSWFKR LLSLLLKPLF PRLAAFLNSM DATA SEQUENCE RPRSAEKLWK LQHEIEMYRQ SVIAQWKAMN LDVLLTPMLG PALDLNTPGR DATA SEQUENCE ATGAISYTVL YNCLDFPAGV VPVTTVTAED DAQMELYKGY FGDIWDIILK DATA SEQUENCE KAMKNSVGLP VAVQCVALPW QEELCLRFMR EVEQLMT 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.577 177.584 -0.012 0.000 1.274 37 A CA 0.000 52.022 52.037 -0.024 0.000 0.836 37 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 38 R N 0.869 121.359 120.500 -0.017 0.000 2.317 38 R HA 0.455 4.795 4.340 -0.000 0.000 0.208 38 R C 1.918 178.327 176.300 0.182 0.000 0.914 38 R CA 1.423 57.551 56.100 0.048 0.000 1.060 38 R CB -1.414 28.856 30.300 -0.050 0.000 1.015 38 R HN 1.194 nan 8.270 nan 0.000 0.498 39 G N 0.016 108.905 108.800 0.148 0.000 2.527 39 G HA2 0.028 3.988 3.960 -0.000 0.000 0.219 39 G HA3 0.028 3.988 3.960 -0.000 0.000 0.219 39 G C 1.613 176.539 174.900 0.043 0.000 1.117 39 G CA 0.705 45.866 45.100 0.103 0.000 0.759 39 G HN 0.753 nan 8.290 nan 0.000 0.556 40 A N 0.466 123.303 122.820 0.029 0.000 2.255 40 A HA 0.508 4.828 4.320 -0.000 0.000 0.206 40 A C 2.497 180.065 177.584 -0.026 0.000 1.193 40 A CA 1.385 53.423 52.037 0.002 0.000 0.794 40 A CB -0.345 18.655 19.000 -0.000 0.000 0.794 40 A HN 0.561 nan 8.150 nan 0.000 0.481 41 A N 0.108 122.915 122.820 -0.022 0.000 1.902 41 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 41 A C 2.325 179.832 177.584 -0.129 0.000 1.181 41 A CA 2.195 54.175 52.037 -0.095 0.000 0.623 41 A CB -1.161 17.804 19.000 -0.058 0.000 0.818 41 A HN 0.688 nan 8.150 nan 0.000 0.443 42 T N -2.392 112.121 114.554 -0.068 0.000 3.072 42 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 42 T C 1.765 176.442 174.700 -0.039 0.000 1.127 42 T CA 0.961 63.027 62.100 -0.056 0.000 1.107 42 T CB -0.245 68.606 68.868 -0.029 0.000 0.910 42 T HN 0.512 nan 8.240 nan 0.000 0.513 43 R N 1.178 121.657 120.500 -0.035 0.000 2.120 43 R HA 0.056 4.396 4.340 -0.000 0.000 0.234 43 R C 2.417 178.703 176.300 -0.023 0.000 1.123 43 R CA 1.329 57.419 56.100 -0.018 0.000 0.975 43 R CB -0.454 29.841 30.300 -0.009 0.000 0.866 43 R HN 0.492 nan 8.270 nan 0.000 0.446 44 A N -0.149 122.611 122.820 -0.098 0.000 1.997 44 A HA 0.036 4.355 4.320 -0.000 0.000 0.212 44 A C 2.024 179.536 177.584 -0.121 0.000 1.178 44 A CA 0.309 52.258 52.037 -0.148 0.000 0.698 44 A CB -0.195 18.531 19.000 -0.456 0.000 0.842 44 A HN 0.252 nan 8.150 nan 0.000 0.458 45 R N 0.139 120.547 120.500 -0.153 0.000 2.091 45 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 45 R C 2.399 178.731 176.300 0.053 0.000 1.136 45 R CA 2.106 58.186 56.100 -0.034 0.000 0.959 45 R CB -0.171 30.097 30.300 -0.053 0.000 0.856 45 R HN 0.760 nan 8.270 nan 0.000 0.437 46 Q N -0.119 119.704 119.800 0.038 0.000 2.230 46 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 46 Q C 1.633 177.689 176.000 0.092 0.000 0.963 46 Q CA 1.361 57.200 55.803 0.060 0.000 0.866 46 Q CB -0.116 28.646 28.738 0.041 0.000 0.931 46 Q HN 0.120 nan 8.270 nan 0.000 0.452 47 K N 0.234 120.700 120.400 0.110 0.000 2.097 47 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 47 K C 2.281 179.003 176.600 0.203 0.000 1.049 47 K CA 1.500 57.879 56.287 0.154 0.000 0.933 47 K CB 0.007 32.614 32.500 0.178 0.000 0.717 47 K HN 0.414 nan 8.250 nan 0.000 0.442 48 Q N -0.089 119.864 119.800 0.256 0.000 2.083 48 Q HA -0.191 4.149 4.340 -0.000 0.000 0.198 48 Q C 2.351 178.459 176.000 0.181 0.000 0.969 48 Q CA 1.695 57.656 55.803 0.263 0.000 0.838 48 Q CB 0.046 29.013 28.738 0.382 0.000 0.900 48 Q HN 0.274 nan 8.270 nan 0.000 0.436 49 R N 0.362 120.951 120.500 0.149 0.000 2.081 49 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 49 R C 2.162 178.542 176.300 0.133 0.000 1.131 49 R CA 1.684 57.860 56.100 0.127 0.000 0.960 49 R CB -1.590 28.768 30.300 0.097 0.000 0.856 49 R HN 0.487 nan 8.270 nan 0.000 0.436 50 A N -0.042 122.853 122.820 0.125 0.000 1.877 50 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 50 A C 2.603 180.270 177.584 0.137 0.000 1.186 50 A CA 1.907 54.014 52.037 0.117 0.000 0.620 50 A CB -0.597 18.466 19.000 0.104 0.000 0.822 50 A HN 0.497 nan 8.150 nan 0.000 0.443 51 S N -0.921 114.879 115.700 0.165 0.000 2.423 51 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 51 S C 1.720 176.429 174.600 0.181 0.000 1.014 51 S CA 1.013 59.334 58.200 0.202 0.000 0.965 51 S CB -0.281 63.058 63.200 0.231 0.000 0.785 51 S HN 0.383 nan 8.310 nan 0.000 0.495 52 L N 1.966 123.304 121.223 0.192 0.000 2.156 52 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 52 L C 2.697 179.741 176.870 0.290 0.000 1.095 52 L CA 1.982 56.987 54.840 0.275 0.000 0.770 52 L CB -0.944 41.275 42.059 0.268 0.000 0.914 52 L HN 0.418 nan 8.230 nan 0.000 0.439 53 E N -1.289 119.017 120.200 0.177 0.000 2.107 53 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 53 E C 2.035 178.621 176.600 -0.022 0.000 0.982 53 E CA 1.598 58.047 56.400 0.082 0.000 0.809 53 E CB -1.325 28.424 29.700 0.082 0.000 0.756 53 E HN 0.595 nan 8.360 nan 0.000 0.459 54 T N 0.493 115.051 114.554 0.006 0.000 2.951 54 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 54 T C 2.161 176.744 174.700 -0.195 0.000 1.073 54 T CA 1.305 63.389 62.100 -0.026 0.000 1.134 54 T CB -0.197 68.729 68.868 0.097 0.000 0.884 54 T HN 0.390 nan 8.240 nan 0.000 0.479 55 M N 1.245 120.664 119.600 -0.301 0.000 2.156 55 M HA -0.038 4.442 4.480 -0.000 0.000 0.264 55 M C 2.219 178.270 176.300 -0.415 0.000 1.067 55 M CA 1.448 56.483 55.300 -0.441 0.000 1.131 55 M CB -0.469 31.978 32.600 -0.254 0.000 1.368 55 M HN 0.112 nan 8.290 nan 0.000 0.416 56 D N 0.847 120.902 120.400 -0.574 0.000 2.149 56 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 56 D C 2.176 178.200 176.300 -0.459 0.000 0.972 56 D CA 1.988 55.465 54.000 -0.872 0.000 0.835 56 D CB 0.202 40.268 40.800 -1.224 0.000 0.966 56 D HN 0.216 nan 8.370 nan 0.000 0.476 57 K N 0.510 120.746 120.400 -0.274 0.000 2.057 57 K HA 0.129 4.449 4.320 -0.000 0.000 0.206 57 K C 2.244 178.778 176.600 -0.110 0.000 1.050 57 K CA 1.583 57.777 56.287 -0.156 0.000 0.935 57 K CB -1.141 31.308 32.500 -0.084 0.000 0.715 57 K HN 0.258 nan 8.250 nan 0.000 0.439 58 A N 1.055 123.830 122.820 -0.074 0.000 1.968 58 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 58 A C 2.580 180.165 177.584 0.001 0.000 1.169 58 A CA 1.927 53.986 52.037 0.037 0.000 0.638 58 A CB -0.624 18.515 19.000 0.232 0.000 0.812 58 A HN 0.921 nan 8.150 nan 0.000 0.446 59 V N -2.631 117.270 119.914 -0.022 0.000 2.548 59 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 59 V C 2.054 178.115 176.094 -0.056 0.000 1.055 59 V CA 2.124 64.422 62.300 -0.004 0.000 1.065 59 V CB -0.978 30.819 31.823 -0.044 0.000 0.681 59 V HN 0.547 nan 8.190 nan 0.000 0.462 60 Q N 0.450 120.175 119.800 -0.125 0.000 2.123 60 Q HA -0.062 4.277 4.340 -0.000 0.000 0.199 60 Q C 2.684 178.621 176.000 -0.105 0.000 0.966 60 Q CA 2.409 58.140 55.803 -0.120 0.000 0.845 60 Q CB -0.285 28.364 28.738 -0.147 0.000 0.907 60 Q HN 0.803 nan 8.270 nan 0.000 0.439 61 R N 0.241 120.678 120.500 -0.105 0.000 2.081 61 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 61 R C 1.735 177.950 176.300 -0.142 0.000 1.131 61 R CA 1.644 57.679 56.100 -0.109 0.000 0.960 61 R CB -1.661 28.587 30.300 -0.087 0.000 0.856 61 R HN 0.376 nan 8.270 nan 0.000 0.436 62 F N 1.552 121.283 119.950 -0.364 0.000 2.075 62 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 62 F C 2.994 178.654 175.800 -0.233 0.000 1.113 62 F CA 2.776 60.525 58.000 -0.419 0.000 1.218 62 F CB -0.488 38.056 39.000 -0.759 0.000 0.984 62 F HN 0.334 nan 8.300 nan 0.000 0.472 63 R N 0.694 121.103 120.500 -0.151 0.000 2.189 63 R HA 0.087 4.427 4.340 -0.000 0.000 0.223 63 R C 2.237 178.417 176.300 -0.201 0.000 1.092 63 R CA 1.488 57.480 56.100 -0.180 0.000 0.989 63 R CB -2.243 28.033 30.300 -0.039 0.000 0.876 63 R HN 0.502 nan 8.270 nan 0.000 0.457 64 L N -0.727 120.387 121.223 -0.181 0.000 1.994 64 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 64 L C 2.849 179.597 176.870 -0.204 0.000 1.071 64 L CA 2.940 57.683 54.840 -0.161 0.000 0.745 64 L CB -1.884 40.101 42.059 -0.125 0.000 0.892 64 L HN 0.678 nan 8.230 nan 0.000 0.431 65 Q N -1.118 118.517 119.800 -0.275 0.000 2.444 65 Q HA 0.122 4.462 4.340 -0.000 0.000 0.206 65 Q C 1.139 176.905 176.000 -0.389 0.000 0.948 65 Q CA 0.994 56.626 55.803 -0.285 0.000 0.946 65 Q CB -0.581 28.009 28.738 -0.247 0.000 1.027 65 Q HN 0.903 nan 8.270 nan 0.000 0.513 66 N N -0.329 118.067 118.700 -0.507 0.000 2.636 66 N HA 0.195 4.935 4.740 -0.000 0.000 0.287 66 N C -2.526 172.792 175.510 -0.321 0.000 1.817 66 N CA -0.666 52.070 53.050 -0.525 0.000 0.842 66 N CB 1.762 39.595 38.487 -1.090 0.000 1.353 66 N HN 0.190 nan 8.380 nan 0.000 0.500 67 P HA 0.201 nan 4.420 nan 0.000 0.257 67 P C 0.389 177.638 177.300 -0.086 0.000 1.281 67 P CA 0.488 63.510 63.100 -0.130 0.000 0.826 67 P CB 0.059 31.692 31.700 -0.110 0.000 1.237 68 D N -0.375 119.974 120.400 -0.084 0.000 2.354 68 D HA 0.251 4.891 4.640 -0.000 0.000 0.209 68 D C 1.139 177.421 176.300 -0.031 0.000 1.015 68 D CA 0.275 54.244 54.000 -0.052 0.000 0.867 68 D CB -0.498 40.273 40.800 -0.048 0.000 0.933 68 D HN 0.263 nan 8.370 nan 0.000 0.520 69 L N 1.130 122.336 121.223 -0.028 0.000 2.418 69 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 69 L C 0.515 177.392 176.870 0.012 0.000 1.135 69 L CA -0.371 54.476 54.840 0.012 0.000 0.870 69 L CB 0.220 42.317 42.059 0.063 0.000 1.154 69 L HN 0.219 nan 8.230 nan 0.000 0.462 70 D N 2.521 122.926 120.400 0.009 0.000 2.359 70 D HA 0.100 4.740 4.640 -0.000 0.000 0.273 70 D C 1.260 177.557 176.300 -0.006 0.000 1.362 70 D CA 0.794 54.793 54.000 -0.001 0.000 1.010 70 D CB 1.090 41.889 40.800 -0.002 0.000 1.090 70 D HN 0.697 nan 8.370 nan 0.000 0.521 71 S N 2.730 118.423 115.700 -0.013 0.000 2.395 71 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 71 S C 2.020 176.580 174.600 -0.068 0.000 1.027 71 S CA 1.380 59.559 58.200 -0.034 0.000 0.965 71 S CB 0.237 63.423 63.200 -0.023 0.000 0.812 71 S HN 0.720 nan 8.310 nan 0.000 0.482 72 E N 0.539 120.710 120.200 -0.049 0.000 2.216 72 E HA 0.285 4.634 4.350 -0.000 0.000 0.192 72 E C 1.809 178.381 176.600 -0.048 0.000 0.988 72 E CA 1.052 57.420 56.400 -0.053 0.000 0.834 72 E CB -0.680 28.998 29.700 -0.036 0.000 0.772 72 E HN 0.571 nan 8.360 nan 0.000 0.479 73 A N -0.104 122.696 122.820 -0.035 0.000 2.132 73 A HA 0.298 4.617 4.320 -0.000 0.000 0.213 73 A C 2.167 179.736 177.584 -0.026 0.000 1.154 73 A CA 0.784 52.807 52.037 -0.022 0.000 0.753 73 A CB -0.051 18.944 19.000 -0.009 0.000 0.826 73 A HN 0.420 nan 8.150 nan 0.000 0.469 74 L N -0.115 121.079 121.223 -0.048 0.000 2.027 74 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 74 L C 2.126 178.924 176.870 -0.119 0.000 1.074 74 L CA 1.881 56.680 54.840 -0.068 0.000 0.745 74 L CB -0.934 41.071 42.059 -0.091 0.000 0.898 74 L HN 0.439 nan 8.230 nan 0.000 0.433 75 L N -0.437 120.674 121.223 -0.188 0.000 2.217 75 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 75 L C 2.246 179.082 176.870 -0.056 0.000 1.107 75 L CA 1.403 56.087 54.840 -0.261 0.000 0.783 75 L CB -0.575 41.320 42.059 -0.273 0.000 0.919 75 L HN 0.375 nan 8.230 nan 0.000 0.442 76 T N -2.953 111.585 114.554 -0.026 0.000 3.100 76 T HA 0.101 4.451 4.350 -0.000 0.000 0.253 76 T C 0.634 175.356 174.700 0.037 0.000 1.118 76 T CA -0.272 61.837 62.100 0.014 0.000 1.058 76 T CB -0.098 68.772 68.868 0.003 0.000 0.953 76 T HN -0.106 nan 8.240 nan 0.000 0.515 77 L N 3.673 124.920 121.223 0.040 0.000 2.500 77 L HA 0.331 4.671 4.340 -0.000 0.000 0.272 77 L C -2.164 174.751 176.870 0.075 0.000 1.149 77 L CA -2.120 52.752 54.840 0.053 0.000 0.897 77 L CB 0.105 42.195 42.059 0.053 0.000 1.178 77 L HN 0.021 nan 8.230 nan 0.000 0.473 78 P HA -0.045 nan 4.420 nan 0.000 0.267 78 P C 0.764 178.100 177.300 0.061 0.000 1.200 78 P CA -0.277 62.861 63.100 0.062 0.000 0.772 78 P CB 0.566 32.296 31.700 0.051 0.000 0.855 79 L N 3.499 124.754 121.223 0.053 0.000 2.079 79 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 79 L C 1.751 178.643 176.870 0.036 0.000 1.081 79 L CA 1.959 56.822 54.840 0.040 0.000 0.752 79 L CB -0.798 41.267 42.059 0.011 0.000 0.896 79 L HN 0.270 nan 8.230 nan 0.000 0.433 80 L N -0.756 120.488 121.223 0.036 0.000 2.042 80 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 80 L C 2.579 179.474 176.870 0.042 0.000 1.076 80 L CA 1.809 56.671 54.840 0.037 0.000 0.749 80 L CB -1.844 40.241 42.059 0.043 0.000 0.893 80 L HN 0.496 nan 8.230 nan 0.000 0.432 81 Q N -0.633 119.194 119.800 0.045 0.000 2.079 81 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 81 Q C 2.389 178.420 176.000 0.052 0.000 0.974 81 Q CA 0.974 56.805 55.803 0.046 0.000 0.840 81 Q CB -0.105 28.660 28.738 0.044 0.000 0.898 81 Q HN 0.314 nan 8.270 nan 0.000 0.430 82 L N -0.069 121.189 121.223 0.060 0.000 2.046 82 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 82 L C 2.216 179.125 176.870 0.066 0.000 1.077 82 L CA 1.176 56.058 54.840 0.071 0.000 0.747 82 L CB -0.350 41.767 42.059 0.097 0.000 0.896 82 L HN 0.054 nan 8.230 nan 0.000 0.432 83 V N -0.396 119.551 119.914 0.055 0.000 2.453 83 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 83 V C 2.495 178.631 176.094 0.070 0.000 1.048 83 V CA 1.760 64.096 62.300 0.060 0.000 1.049 83 V CB -0.150 31.697 31.823 0.041 0.000 0.672 83 V HN 0.851 nan 8.190 nan 0.000 0.457 84 Q N -0.178 119.655 119.800 0.056 0.000 2.167 84 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 84 Q C 2.103 178.136 176.000 0.055 0.000 0.970 84 Q CA 1.975 57.809 55.803 0.051 0.000 0.855 84 Q CB -0.518 28.245 28.738 0.042 0.000 0.911 84 Q HN 0.501 nan 8.270 nan 0.000 0.438 85 K N -0.441 119.995 120.400 0.059 0.000 2.155 85 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 85 K C 1.697 178.347 176.600 0.082 0.000 1.052 85 K CA 0.621 56.946 56.287 0.062 0.000 0.948 85 K CB 0.024 32.559 32.500 0.059 0.000 0.728 85 K HN 0.200 nan 8.250 nan 0.000 0.448 86 L N 1.155 122.440 121.223 0.103 0.000 2.072 86 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 86 L C 2.375 179.366 176.870 0.202 0.000 1.079 86 L CA 1.745 56.683 54.840 0.163 0.000 0.752 86 L CB -0.817 41.339 42.059 0.162 0.000 0.906 86 L HN 0.155 nan 8.230 nan 0.000 0.436 87 Q N -0.288 119.591 119.800 0.132 0.000 2.083 87 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 87 Q C 2.418 178.426 176.000 0.013 0.000 0.969 87 Q CA 2.211 58.048 55.803 0.056 0.000 0.838 87 Q CB -0.297 28.465 28.738 0.040 0.000 0.900 87 Q HN 0.553 nan 8.270 nan 0.000 0.436 88 S N -1.493 114.226 115.700 0.032 0.000 2.402 88 S HA 0.063 4.533 4.470 -0.000 0.000 0.229 88 S C 1.535 176.150 174.600 0.026 0.000 1.021 88 S CA 1.193 59.406 58.200 0.022 0.000 0.974 88 S CB -0.411 62.806 63.200 0.028 0.000 0.800 88 S HN 0.864 nan 8.310 nan 0.000 0.484 89 G N 0.491 109.322 108.800 0.051 0.000 2.168 89 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.197 89 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.197 89 G C 0.455 175.394 174.900 0.066 0.000 0.997 89 G CA 0.410 45.549 45.100 0.064 0.000 0.658 89 G HN 0.495 nan 8.290 nan 0.000 0.513 90 E N -0.608 119.627 120.200 0.060 0.000 2.118 90 E HA -0.005 4.344 4.350 -0.000 0.000 0.195 90 E C 0.772 177.411 176.600 0.065 0.000 0.992 90 E CA 0.754 57.186 56.400 0.054 0.000 0.804 90 E CB -0.052 29.677 29.700 0.047 0.000 0.741 90 E HN 0.618 nan 8.360 nan 0.000 0.458 91 L N 0.940 122.210 121.223 0.080 0.000 2.322 91 L HA 0.228 4.568 4.340 -0.000 0.000 0.281 91 L C 0.071 177.007 176.870 0.110 0.000 1.014 91 L CA -0.873 54.022 54.840 0.091 0.000 0.815 91 L CB 1.831 43.940 42.059 0.083 0.000 1.247 91 L HN -0.086 nan 8.230 nan 0.000 0.421 92 S N 1.672 117.443 115.700 0.118 0.000 2.565 92 S HA 0.293 4.763 4.470 -0.000 0.000 0.276 92 S C -1.844 172.820 174.600 0.107 0.000 1.326 92 S CA -1.014 57.264 58.200 0.130 0.000 1.045 92 S CB 1.041 64.325 63.200 0.141 0.000 0.918 92 S HN 0.443 nan 8.310 nan 0.000 0.505 93 P HA -0.095 nan 4.420 nan 0.000 0.220 93 P C 0.894 178.185 177.300 -0.016 0.000 1.144 93 P CA 1.116 64.192 63.100 -0.040 0.000 0.800 93 P CB 0.049 31.660 31.700 -0.148 0.000 0.772 94 E N -0.450 119.789 120.200 0.065 0.000 2.072 94 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 94 E C 2.158 178.739 176.600 -0.031 0.000 0.985 94 E CA 1.425 57.897 56.400 0.120 0.000 0.801 94 E CB -1.060 28.800 29.700 0.267 0.000 0.750 94 E HN 0.149 nan 8.360 nan 0.000 0.452 95 A N 0.597 123.455 122.820 0.063 0.000 1.877 95 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 95 A C 2.492 180.077 177.584 0.002 0.000 1.186 95 A CA 1.912 54.006 52.037 0.095 0.000 0.620 95 A CB -1.015 18.124 19.000 0.231 0.000 0.822 95 A HN 0.195 nan 8.150 nan 0.000 0.443 96 V N -2.648 117.281 119.914 0.025 0.000 2.295 96 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 96 V C 2.342 178.442 176.094 0.010 0.000 1.049 96 V CA 2.009 64.331 62.300 0.037 0.000 1.024 96 V CB -1.487 30.381 31.823 0.074 0.000 0.648 96 V HN 0.473 nan 8.190 nan 0.000 0.447 97 F N 1.167 120.977 119.950 -0.234 0.000 2.046 97 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 97 F C 2.133 177.656 175.800 -0.462 0.000 1.123 97 F CA 2.135 59.880 58.000 -0.426 0.000 1.199 97 F CB -0.389 38.254 39.000 -0.596 0.000 0.972 97 F HN 0.091 nan 8.300 nan 0.000 0.474 98 F N 0.220 119.895 119.950 -0.458 0.000 2.293 98 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 98 F C 2.420 177.981 175.800 -0.399 0.000 1.086 98 F CA 1.526 59.178 58.000 -0.580 0.000 1.375 98 F CB -0.849 37.664 39.000 -0.811 0.000 1.045 98 F HN -0.067 nan 8.300 nan 0.000 0.516 99 T N -1.235 113.228 114.554 -0.153 0.000 2.777 99 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 99 T C 1.561 176.103 174.700 -0.264 0.000 1.040 99 T CA 1.275 63.279 62.100 -0.159 0.000 1.141 99 T CB -0.489 68.275 68.868 -0.173 0.000 0.868 99 T HN 0.146 nan 8.240 nan 0.000 0.444 100 Y N 1.065 121.192 120.300 -0.288 0.000 2.163 100 Y HA 0.070 4.620 4.550 -0.000 0.000 0.288 100 Y C 2.301 177.971 175.900 -0.384 0.000 1.136 100 Y CA 0.247 58.143 58.100 -0.340 0.000 1.147 100 Y CB -0.547 37.632 38.460 -0.468 0.000 0.987 100 Y HN 0.093 nan 8.280 nan 0.000 0.509 101 L N -0.842 120.097 121.223 -0.473 0.000 2.079 101 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 101 L C 2.321 179.124 176.870 -0.111 0.000 1.081 101 L CA 1.863 56.456 54.840 -0.413 0.000 0.752 101 L CB -1.147 40.414 42.059 -0.830 0.000 0.896 101 L HN 0.410 nan 8.230 nan 0.000 0.433 102 G N -0.189 108.554 108.800 -0.094 0.000 2.433 102 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.216 102 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.216 102 G C 1.623 176.586 174.900 0.105 0.000 1.186 102 G CA 0.920 46.030 45.100 0.017 0.000 0.779 102 G HN 0.205 nan 8.290 nan 0.000 0.543 103 K N 1.252 121.677 120.400 0.041 0.000 2.097 103 K HA 0.176 4.496 4.320 -0.000 0.000 0.205 103 K C 2.668 179.342 176.600 0.122 0.000 1.050 103 K CA 1.433 57.758 56.287 0.063 0.000 0.938 103 K CB -0.795 31.705 32.500 -0.001 0.000 0.718 103 K HN 0.178 nan 8.250 nan 0.000 0.442 104 A N -0.132 122.790 122.820 0.171 0.000 1.892 104 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 104 A C 2.206 179.893 177.584 0.172 0.000 1.188 104 A CA 1.837 53.999 52.037 0.208 0.000 0.631 104 A CB -1.307 17.901 19.000 0.347 0.000 0.822 104 A HN 0.661 nan 8.150 nan 0.000 0.447 105 W N 0.409 121.718 121.300 0.014 0.000 2.358 105 W HA -0.129 4.531 4.660 -0.000 0.000 0.303 105 W C 2.137 178.654 176.519 -0.003 0.000 1.208 105 W CA 1.884 59.226 57.345 -0.006 0.000 1.274 105 W CB -0.091 29.350 29.460 -0.031 0.000 1.138 105 W HN 0.493 nan 8.180 nan 0.000 0.515 106 E N -0.455 119.830 120.200 0.141 0.000 2.072 106 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 106 E C 2.240 178.777 176.600 -0.106 0.000 0.985 106 E CA 2.201 58.603 56.400 0.003 0.000 0.801 106 E CB -0.319 29.442 29.700 0.102 0.000 0.750 106 E HN 0.257 nan 8.360 nan 0.000 0.452 107 V N -0.290 119.593 119.914 -0.051 0.000 2.548 107 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 107 V C 1.930 177.968 176.094 -0.093 0.000 1.055 107 V CA 1.970 64.235 62.300 -0.058 0.000 1.065 107 V CB -0.771 31.045 31.823 -0.011 0.000 0.681 107 V HN 0.163 nan 8.190 nan 0.000 0.462 108 N N 1.345 119.973 118.700 -0.120 0.000 2.149 108 N HA -0.249 4.491 4.740 -0.000 0.000 0.188 108 N C 1.797 177.179 175.510 -0.212 0.000 1.019 108 N CA 1.911 54.870 53.050 -0.150 0.000 0.857 108 N CB -0.523 37.869 38.487 -0.158 0.000 0.997 108 N HN 0.576 nan 8.380 nan 0.000 0.426 109 K N -1.508 118.691 120.400 -0.335 0.000 2.574 109 K HA 0.042 4.362 4.320 -0.000 0.000 0.193 109 K C 0.875 177.360 176.600 -0.192 0.000 1.035 109 K CA 0.853 56.938 56.287 -0.337 0.000 0.982 109 K CB -0.095 32.093 32.500 -0.521 0.000 0.795 109 K HN 0.369 nan 8.250 nan 0.000 0.491 110 G N -1.251 107.465 108.800 -0.140 0.000 3.443 110 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.252 110 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.252 110 G C 0.777 175.642 174.900 -0.059 0.000 1.015 110 G CA 0.174 45.221 45.100 -0.089 0.000 0.891 110 G HN 0.343 nan 8.290 nan 0.000 0.510 111 T N -3.448 111.071 114.554 -0.058 0.000 3.010 111 T HA 0.151 4.501 4.350 -0.000 0.000 0.253 111 T C 0.784 175.470 174.700 -0.023 0.000 0.939 111 T CA 0.573 62.657 62.100 -0.026 0.000 0.910 111 T CB 0.077 68.939 68.868 -0.010 0.000 1.226 111 T HN 0.223 nan 8.240 nan 0.000 0.508 112 N N 0.744 119.417 118.700 -0.044 0.000 2.780 112 N HA -0.179 4.560 4.740 -0.000 0.000 0.247 112 N C 0.635 176.131 175.510 -0.024 0.000 1.076 112 N CA 0.662 53.693 53.050 -0.032 0.000 0.688 112 N CB -1.943 36.541 38.487 -0.007 0.000 0.957 112 N HN 0.814 nan 8.380 nan 0.000 0.551 113 C N -2.883 116.395 119.300 -0.036 0.000 2.780 113 C HA 0.536 4.995 4.460 -0.000 0.000 0.267 113 C C 0.937 175.885 174.990 -0.069 0.000 1.266 113 C CA -0.467 58.528 59.018 -0.037 0.000 1.709 113 C CB -0.840 26.888 27.740 -0.021 0.000 1.975 113 C HN 0.237 nan 8.230 nan 0.000 0.582 114 V N 2.031 121.902 119.914 -0.071 0.000 2.370 114 V HA 0.312 4.431 4.120 -0.000 0.000 0.283 114 V C 0.957 176.977 176.094 -0.123 0.000 1.023 114 V CA 0.493 62.744 62.300 -0.083 0.000 0.857 114 V CB 1.378 33.184 31.823 -0.028 0.000 0.985 114 V HN 0.456 nan 8.190 nan 0.000 0.443 115 T N 2.544 116.969 114.554 -0.215 0.000 3.021 115 T HA 0.114 4.464 4.350 -0.000 0.000 0.245 115 T C 0.643 175.206 174.700 -0.228 0.000 1.028 115 T CA 1.092 62.921 62.100 -0.452 0.000 1.139 115 T CB 0.265 68.736 68.868 -0.661 0.000 0.884 115 T HN 0.786 nan 8.240 nan 0.000 0.457 116 S N -0.352 115.286 115.700 -0.103 0.000 2.570 116 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 116 S C -1.796 172.805 174.600 0.002 0.000 1.149 116 S CA -0.967 57.224 58.200 -0.015 0.000 0.837 116 S CB 1.193 64.366 63.200 -0.045 0.000 1.124 116 S HN 0.314 nan 8.310 nan 0.000 0.465 117 Y N 2.282 122.545 120.300 -0.061 0.000 2.331 117 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 117 Y C -0.649 175.168 175.900 -0.139 0.000 0.992 117 Y CA -1.036 57.028 58.100 -0.060 0.000 1.121 117 Y CB 1.075 39.571 38.460 0.060 0.000 1.184 117 Y HN 0.714 nan 8.280 nan 0.000 0.469 118 L N 7.564 128.318 121.223 -0.781 0.000 2.399 118 L HA 0.075 4.415 4.340 -0.000 0.000 0.257 118 L C 1.454 177.914 176.870 -0.684 0.000 1.236 118 L CA -0.023 54.216 54.840 -1.002 0.000 1.144 118 L CB -0.120 41.127 42.059 -1.354 0.000 1.379 118 L HN 0.927 nan 8.230 nan 0.000 0.414 119 T N -2.042 112.304 114.554 -0.346 0.000 2.685 119 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 119 T C 1.016 175.627 174.700 -0.150 0.000 1.034 119 T CA 1.680 63.606 62.100 -0.289 0.000 1.149 119 T CB -0.550 68.327 68.868 0.014 0.000 0.860 119 T HN 0.695 nan 8.240 nan 0.000 0.449 120 D N 1.922 122.321 120.400 -0.002 0.000 2.494 120 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 120 D C 0.894 177.192 176.300 -0.005 0.000 1.223 120 D CA -0.398 53.621 54.000 0.032 0.000 0.865 120 D CB -1.361 39.491 40.800 0.088 0.000 0.974 120 D HN 0.760 nan 8.370 nan 0.000 0.491 121 C N -1.455 117.779 119.300 -0.111 0.000 2.560 121 C HA 0.472 4.932 4.460 -0.000 0.000 0.334 121 C C 1.416 176.270 174.990 -0.227 0.000 1.404 121 C CA -0.532 58.356 59.018 -0.217 0.000 2.410 121 C CB 0.445 28.002 27.740 -0.305 0.000 2.268 121 C HN 0.596 nan 8.230 nan 0.000 0.673 122 E N -1.785 118.170 120.200 -0.409 0.000 4.584 122 E HA -0.269 4.081 4.350 -0.000 0.000 0.282 122 E C 1.096 177.623 176.600 -0.122 0.000 0.747 122 E CA 1.844 58.091 56.400 -0.255 0.000 1.563 122 E CB -1.962 27.712 29.700 -0.043 0.000 1.779 122 E HN 0.988 nan 8.360 nan 0.000 0.408 123 T N -2.141 112.356 114.554 -0.094 0.000 3.040 123 T HA 0.154 4.504 4.350 -0.000 0.000 0.250 123 T C 1.446 176.098 174.700 -0.081 0.000 1.058 123 T CA 0.708 62.770 62.100 -0.063 0.000 0.988 123 T CB 0.503 69.355 68.868 -0.027 0.000 0.993 123 T HN -0.000 nan 8.240 nan 0.000 0.519 124 Q N 0.800 120.525 119.800 -0.125 0.000 2.354 124 Q HA 0.363 4.702 4.340 -0.000 0.000 0.203 124 Q C 1.878 177.766 176.000 -0.187 0.000 0.933 124 Q CA 0.677 56.401 55.803 -0.131 0.000 0.901 124 Q CB -0.562 28.109 28.738 -0.113 0.000 1.007 124 Q HN 0.543 nan 8.270 nan 0.000 0.495 125 L N -0.758 120.303 121.223 -0.270 0.000 2.044 125 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 125 L C 2.277 179.062 176.870 -0.142 0.000 1.075 125 L CA 1.179 55.850 54.840 -0.282 0.000 0.747 125 L CB -0.414 41.415 42.059 -0.383 0.000 0.903 125 L HN 0.126 nan 8.230 nan 0.000 0.435 126 S N -0.655 114.990 115.700 -0.091 0.000 2.356 126 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 126 S C 1.595 176.196 174.600 0.000 0.000 1.032 126 S CA 1.615 59.801 58.200 -0.024 0.000 1.005 126 S CB -0.247 62.944 63.200 -0.016 0.000 0.867 126 S HN 0.556 nan 8.310 nan 0.000 0.449 127 Q N -0.092 119.697 119.800 -0.018 0.000 2.735 127 Q HA 0.741 5.081 4.340 -0.000 0.000 0.380 127 Q C -0.234 175.767 176.000 0.001 0.000 1.060 127 Q CA 0.018 55.819 55.803 -0.003 0.000 1.025 127 Q CB -0.024 28.704 28.738 -0.016 0.000 1.350 127 Q HN 0.533 nan 8.270 nan 0.000 0.424 128 A N 1.802 124.646 122.820 0.041 0.000 2.260 128 A HA 0.754 5.074 4.320 -0.000 0.000 0.314 128 A C -2.615 175.098 177.584 0.215 0.000 1.257 128 A CA -1.721 50.366 52.037 0.084 0.000 0.871 128 A CB 0.731 19.721 19.000 -0.017 0.000 1.166 128 A HN 0.416 nan 8.150 nan 0.000 0.522 129 P HA 0.223 nan 4.420 nan 0.000 0.276 129 P C 0.691 178.036 177.300 0.075 0.000 1.243 129 P CA -0.389 62.758 63.100 0.078 0.000 0.768 129 P CB 0.748 32.466 31.700 0.030 0.000 0.856 130 R N 2.930 123.384 120.500 -0.076 0.000 2.148 130 R HA -0.124 4.216 4.340 -0.000 0.000 0.227 130 R C 2.017 178.141 176.300 -0.293 0.000 1.103 130 R CA 1.765 57.636 56.100 -0.381 0.000 0.983 130 R CB -0.308 29.782 30.300 -0.349 0.000 0.874 130 R HN 0.608 nan 8.270 nan 0.000 0.451 131 Q N 0.081 119.815 119.800 -0.109 0.000 2.360 131 Q HA 0.182 4.522 4.340 -0.000 0.000 0.202 131 Q C 0.729 176.729 176.000 -0.000 0.000 0.915 131 Q CA 0.510 56.278 55.803 -0.057 0.000 0.943 131 Q CB 0.234 28.951 28.738 -0.034 0.000 1.064 131 Q HN 0.426 nan 8.270 nan 0.000 0.511 132 G N 0.420 109.241 108.800 0.035 0.000 2.380 132 G HA2 0.318 4.278 3.960 -0.000 0.000 0.242 132 G HA3 0.318 4.278 3.960 -0.000 0.000 0.242 132 G C 0.739 175.677 174.900 0.063 0.000 1.298 132 G CA -0.515 44.618 45.100 0.055 0.000 0.878 132 G HN 0.276 nan 8.290 nan 0.000 0.542 133 L N 1.567 122.809 121.223 0.032 0.000 2.447 133 L HA 0.028 4.368 4.340 -0.000 0.000 0.225 133 L C 1.639 178.520 176.870 0.019 0.000 1.148 133 L CA 1.292 56.143 54.840 0.017 0.000 0.808 133 L CB -0.769 41.282 42.059 -0.012 0.000 0.928 133 L HN 0.482 nan 8.230 nan 0.000 0.448 134 L N -2.394 118.847 121.223 0.030 0.000 2.913 134 L HA 0.067 4.407 4.340 -0.000 0.000 0.283 134 L C 1.181 178.070 176.870 0.032 0.000 1.336 134 L CA -0.302 54.545 54.840 0.011 0.000 0.815 134 L CB 0.236 42.275 42.059 -0.033 0.000 1.188 134 L HN 0.002 nan 8.230 nan 0.000 0.551 135 Y N 1.185 121.469 120.300 -0.027 0.000 2.070 135 Y HA -0.229 4.321 4.550 -0.000 0.000 0.280 135 Y C 2.020 177.903 175.900 -0.028 0.000 1.148 135 Y CA 2.177 60.261 58.100 -0.026 0.000 1.125 135 Y CB 0.180 38.630 38.460 -0.016 0.000 0.975 135 Y HN 0.317 nan 8.280 nan 0.000 0.492 136 G N -0.272 108.285 108.800 -0.406 0.000 2.777 136 G HA2 0.045 4.005 3.960 -0.000 0.000 0.211 136 G HA3 0.045 4.005 3.960 -0.000 0.000 0.211 136 G C 0.004 174.764 174.900 -0.235 0.000 1.149 136 G CA 0.233 45.058 45.100 -0.459 0.000 0.785 136 G HN 0.179 nan 8.290 nan 0.000 0.536 137 V N 2.895 122.721 119.914 -0.146 0.000 2.458 137 V HA 0.120 4.240 4.120 -0.000 0.000 0.287 137 V C -1.952 174.082 176.094 -0.101 0.000 1.009 137 V CA -1.004 61.232 62.300 -0.108 0.000 1.091 137 V CB 0.952 32.726 31.823 -0.081 0.000 0.960 137 V HN 0.098 nan 8.190 nan 0.000 0.476 138 P HA 0.263 nan 4.420 nan 0.000 0.282 138 P C -0.675 176.699 177.300 0.124 0.000 1.274 138 P CA -0.053 62.998 63.100 -0.080 0.000 0.770 138 P CB 0.879 32.289 31.700 -0.483 0.000 0.867 139 V N 1.135 121.227 119.914 0.297 0.000 2.495 139 V HA 0.692 4.812 4.120 -0.000 0.000 0.298 139 V C 0.099 176.172 176.094 -0.035 0.000 1.031 139 V CA -0.965 61.421 62.300 0.144 0.000 0.871 139 V CB 1.505 33.313 31.823 -0.025 0.000 0.988 139 V HN 0.525 nan 8.190 nan 0.000 0.432 140 S N 5.269 120.845 115.700 -0.206 0.000 2.565 140 S HA 0.782 5.252 4.470 -0.000 0.000 0.274 140 S C -0.504 173.921 174.600 -0.292 0.000 1.309 140 S CA -0.668 57.259 58.200 -0.456 0.000 1.043 140 S CB 0.875 63.864 63.200 -0.352 0.000 0.939 140 S HN 0.764 nan 8.310 nan 0.000 0.504 141 L N 1.839 122.906 121.223 -0.261 0.000 2.362 141 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 141 L C 0.278 177.090 176.870 -0.098 0.000 0.998 141 L CA -0.857 53.877 54.840 -0.177 0.000 0.820 141 L CB 1.725 43.744 42.059 -0.066 0.000 1.270 141 L HN 0.687 nan 8.230 nan 0.000 0.415 142 K N 1.971 122.378 120.400 0.012 0.000 2.484 142 K HA -0.077 4.243 4.320 -0.000 0.000 0.280 142 K C 1.119 177.675 176.600 -0.073 0.000 1.013 142 K CA 0.252 56.579 56.287 0.067 0.000 1.029 142 K CB 0.748 33.402 32.500 0.256 0.000 0.902 142 K HN 0.761 nan 8.250 nan 0.000 0.481 143 E N 2.793 122.795 120.200 -0.330 0.000 2.338 143 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 143 E C 1.509 177.844 176.600 -0.442 0.000 1.007 143 E CA 1.253 57.174 56.400 -0.797 0.000 0.849 143 E CB -0.309 29.095 29.700 -0.494 0.000 0.774 143 E HN 0.765 nan 8.360 nan 0.000 0.506 144 C N 0.054 119.235 119.300 -0.198 0.000 2.437 144 C HA 0.137 4.597 4.460 -0.000 0.000 0.283 144 C C 0.812 175.698 174.990 -0.172 0.000 1.424 144 C CA -0.860 58.065 59.018 -0.155 0.000 1.782 144 C CB -1.663 25.969 27.740 -0.181 0.000 1.833 144 C HN 0.203 nan 8.230 nan 0.000 0.532 145 F N 3.697 123.598 119.950 -0.081 0.000 2.502 145 F HA 0.289 4.816 4.527 -0.000 0.000 0.371 145 F C 1.269 177.145 175.800 0.127 0.000 1.083 145 F CA 0.276 58.288 58.000 0.020 0.000 1.174 145 F CB 0.337 39.353 39.000 0.026 0.000 1.096 145 F HN 0.264 nan 8.300 nan 0.000 0.545 146 S N 4.432 120.295 115.700 0.272 0.000 2.528 146 S HA 0.329 4.799 4.470 -0.000 0.000 0.277 146 S C -1.023 173.765 174.600 0.313 0.000 1.297 146 S CA -0.542 57.825 58.200 0.278 0.000 1.052 146 S CB 0.459 63.760 63.200 0.168 0.000 0.917 146 S HN 0.580 nan 8.310 nan 0.000 0.492 147 Y N 1.397 121.804 120.300 0.179 0.000 2.376 147 Y HA 0.504 5.054 4.550 -0.000 0.000 0.340 147 Y C 0.292 176.261 175.900 0.114 0.000 0.965 147 Y CA -0.718 57.433 58.100 0.085 0.000 1.078 147 Y CB 1.085 39.498 38.460 -0.079 0.000 1.193 147 Y HN 0.926 nan 8.280 nan 0.000 0.452 148 K N 2.958 123.333 120.400 -0.041 0.000 2.402 148 K HA 0.436 4.756 4.320 -0.000 0.000 0.279 148 K C 0.969 177.665 176.600 0.160 0.000 1.082 148 K CA 0.567 56.868 56.287 0.023 0.000 1.080 148 K CB -0.821 31.615 32.500 -0.106 0.000 0.899 148 K HN 1.586 nan 8.250 nan 0.000 0.469 149 G N 1.373 110.235 108.800 0.104 0.000 2.238 149 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 149 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 149 G C 0.226 175.042 174.900 -0.140 0.000 0.996 149 G CA 0.186 45.270 45.100 -0.027 0.000 0.632 149 G HN 0.948 nan 8.290 nan 0.000 0.503 150 H N 0.731 119.856 119.070 0.092 0.000 2.651 150 H HA 0.486 5.042 4.556 -0.000 0.000 0.353 150 H C -0.862 174.534 175.328 0.112 0.000 1.178 150 H CA -0.719 55.364 56.048 0.057 0.000 1.224 150 H CB 1.436 31.153 29.762 -0.076 0.000 1.702 150 H HN 0.140 nan 8.280 nan 0.000 0.550 151 D N 0.418 120.976 120.400 0.264 0.000 2.372 151 D HA 0.096 4.736 4.640 -0.000 0.000 0.243 151 D C -0.202 176.267 176.300 0.283 0.000 1.121 151 D CA 0.153 54.293 54.000 0.234 0.000 0.898 151 D CB 0.808 41.744 40.800 0.227 0.000 1.202 151 D HN 0.258 nan 8.370 nan 0.000 0.428 152 S N 0.572 116.398 115.700 0.209 0.000 2.468 152 S HA 0.193 4.662 4.470 -0.000 0.000 0.190 152 S C 0.002 174.672 174.600 0.116 0.000 1.445 152 S CA -0.771 57.521 58.200 0.154 0.000 1.084 152 S CB 0.046 63.317 63.200 0.117 0.000 1.175 152 S HN 0.511 nan 8.310 nan 0.000 0.484 153 T N 0.778 115.422 114.554 0.151 0.000 2.930 153 T HA 0.192 4.542 4.350 -0.000 0.000 0.306 153 T C 0.678 175.431 174.700 0.088 0.000 1.045 153 T CA -0.423 61.752 62.100 0.125 0.000 1.134 153 T CB 0.302 69.295 68.868 0.208 0.000 0.961 153 T HN 0.165 nan 8.240 nan 0.000 0.545 154 L N 3.451 124.691 121.223 0.028 0.000 2.653 154 L HA 0.390 4.730 4.340 -0.000 0.000 0.232 154 L C 1.976 178.864 176.870 0.030 0.000 1.169 154 L CA 1.095 55.939 54.840 0.006 0.000 0.951 154 L CB -0.674 41.358 42.059 -0.045 0.000 1.181 154 L HN 1.256 nan 8.230 nan 0.000 0.460 155 G N -1.398 107.452 108.800 0.083 0.000 2.232 155 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.226 155 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.226 155 G C 0.063 174.962 174.900 -0.001 0.000 0.996 155 G CA -0.350 44.797 45.100 0.078 0.000 0.626 155 G HN 0.072 nan 8.290 nan 0.000 0.509 156 L N 2.420 123.604 121.223 -0.064 0.000 2.264 156 L HA 0.566 4.906 4.340 -0.000 0.000 0.289 156 L C 1.764 178.591 176.870 -0.072 0.000 1.044 156 L CA 0.575 55.330 54.840 -0.142 0.000 0.807 156 L CB 0.900 42.804 42.059 -0.258 0.000 1.192 156 L HN 0.163 nan 8.230 nan 0.000 0.425 157 S N 3.099 118.761 115.700 -0.063 0.000 2.383 157 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 157 S C 1.828 176.403 174.600 -0.043 0.000 1.030 157 S CA 0.883 59.059 58.200 -0.039 0.000 1.002 157 S CB -0.308 62.876 63.200 -0.027 0.000 0.829 157 S HN 0.617 nan 8.310 nan 0.000 0.467 158 L N 2.561 123.742 121.223 -0.071 0.000 2.103 158 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 158 L C 0.703 177.555 176.870 -0.030 0.000 1.080 158 L CA 1.896 56.699 54.840 -0.061 0.000 0.764 158 L CB -0.597 41.404 42.059 -0.096 0.000 0.890 158 L HN 0.538 nan 8.230 nan 0.000 0.435 159 N N -2.168 116.519 118.700 -0.022 0.000 2.480 159 N HA 0.076 4.816 4.740 -0.000 0.000 0.281 159 N C 0.905 176.438 175.510 0.038 0.000 1.381 159 N CA 0.228 53.285 53.050 0.013 0.000 0.903 159 N CB 0.328 38.830 38.487 0.025 0.000 1.274 159 N HN 0.250 nan 8.380 nan 0.000 0.505 160 E N 0.924 121.139 120.200 0.025 0.000 2.208 160 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 160 E C 1.800 178.425 176.600 0.042 0.000 0.988 160 E CA 1.297 57.720 56.400 0.039 0.000 0.828 160 E CB -0.519 29.183 29.700 0.003 0.000 0.763 160 E HN 0.377 nan 8.360 nan 0.000 0.478 161 G N 1.184 110.001 108.800 0.028 0.000 2.453 161 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.215 161 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.215 161 G C 0.894 175.817 174.900 0.037 0.000 1.201 161 G CA 1.299 46.414 45.100 0.026 0.000 0.784 161 G HN 0.346 nan 8.290 nan 0.000 0.545 162 M N 1.244 120.871 119.600 0.044 0.000 2.268 162 M HA 0.476 4.955 4.480 -0.000 0.000 0.344 162 M C -2.964 173.376 176.300 0.066 0.000 1.106 162 M CA -2.924 52.403 55.300 0.046 0.000 1.010 162 M CB 1.601 34.224 32.600 0.038 0.000 1.649 162 M HN -0.138 nan 8.290 nan 0.000 0.443 163 P HA 0.198 nan 4.420 nan 0.000 0.274 163 P C -0.427 176.922 177.300 0.081 0.000 1.256 163 P CA -0.270 62.878 63.100 0.081 0.000 0.795 163 P CB 0.415 32.143 31.700 0.046 0.000 1.038 164 S N -2.083 113.681 115.700 0.107 0.000 2.562 164 S HA 0.381 4.851 4.470 -0.000 0.000 0.275 164 S C 1.322 175.958 174.600 0.060 0.000 1.281 164 S CA -0.006 58.249 58.200 0.090 0.000 1.045 164 S CB 0.566 63.839 63.200 0.121 0.000 0.962 164 S HN 0.552 nan 8.310 nan 0.000 0.503 165 E N 1.431 121.654 120.200 0.037 0.000 2.274 165 E HA 0.151 4.501 4.350 -0.000 0.000 0.194 165 E C 0.933 177.536 176.600 0.005 0.000 0.996 165 E CA 1.015 57.425 56.400 0.017 0.000 0.840 165 E CB -0.187 29.518 29.700 0.010 0.000 0.772 165 E HN 0.778 nan 8.360 nan 0.000 0.491 166 S N -0.901 114.803 115.700 0.007 0.000 2.596 166 S HA 0.447 4.917 4.470 -0.000 0.000 0.270 166 S C -1.916 172.668 174.600 -0.026 0.000 1.155 166 S CA -0.747 57.442 58.200 -0.019 0.000 0.827 166 S CB 1.533 64.723 63.200 -0.017 0.000 1.130 166 S HN 0.232 nan 8.310 nan 0.000 0.467 167 D N 1.702 122.052 120.400 -0.084 0.000 2.372 167 D HA 0.299 4.939 4.640 -0.000 0.000 0.243 167 D C 0.620 176.910 176.300 -0.018 0.000 1.121 167 D CA -0.092 53.848 54.000 -0.101 0.000 0.898 167 D CB 0.461 41.140 40.800 -0.203 0.000 1.202 167 D HN 0.719 nan 8.370 nan 0.000 0.428 168 C N 0.174 119.499 119.300 0.041 0.000 2.480 168 C HA 0.320 4.780 4.460 -0.000 0.000 0.358 168 C C 2.083 177.109 174.990 0.059 0.000 1.309 168 C CA -0.844 58.218 59.018 0.074 0.000 2.465 168 C CB 0.187 28.013 27.740 0.144 0.000 2.379 168 C HN 0.466 nan 8.230 nan 0.000 0.642 169 V N 2.076 122.029 119.914 0.065 0.000 2.295 169 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 169 V C 2.622 178.739 176.094 0.038 0.000 1.049 169 V CA 2.692 65.018 62.300 0.043 0.000 1.024 169 V CB -0.756 31.095 31.823 0.047 0.000 0.648 169 V HN 0.993 nan 8.190 nan 0.000 0.447 170 V N -2.386 117.580 119.914 0.086 0.000 2.667 170 V HA -0.110 4.010 4.120 -0.000 0.000 0.252 170 V C 2.200 178.292 176.094 -0.003 0.000 1.065 170 V CA 1.649 63.980 62.300 0.051 0.000 1.083 170 V CB -0.660 31.225 31.823 0.104 0.000 0.692 170 V HN 0.283 nan 8.190 nan 0.000 0.468 171 V N 0.507 120.439 119.914 0.029 0.000 2.407 171 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 171 V C 2.846 178.908 176.094 -0.054 0.000 1.055 171 V CA 2.593 64.889 62.300 -0.007 0.000 1.049 171 V CB -0.803 31.048 31.823 0.046 0.000 0.662 171 V HN 0.584 nan 8.190 nan 0.000 0.455 172 Q N -0.668 119.100 119.800 -0.054 0.000 2.050 172 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 172 Q C 2.418 178.355 176.000 -0.106 0.000 0.980 172 Q CA 2.124 57.877 55.803 -0.083 0.000 0.840 172 Q CB -0.378 28.322 28.738 -0.064 0.000 0.898 172 Q HN 0.641 nan 8.270 nan 0.000 0.424 173 V N -0.346 119.515 119.914 -0.090 0.000 2.548 173 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 173 V C 1.808 177.836 176.094 -0.110 0.000 1.055 173 V CA 1.168 63.399 62.300 -0.114 0.000 1.065 173 V CB -0.300 31.468 31.823 -0.091 0.000 0.681 173 V HN 0.324 nan 8.190 nan 0.000 0.462 174 L N -0.059 121.110 121.223 -0.090 0.000 1.994 174 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 174 L C 2.867 179.689 176.870 -0.080 0.000 1.071 174 L CA 2.419 57.209 54.840 -0.083 0.000 0.745 174 L CB -0.749 41.261 42.059 -0.081 0.000 0.892 174 L HN 0.264 nan 8.230 nan 0.000 0.431 175 K N 0.096 120.446 120.400 -0.082 0.000 2.063 175 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 175 K C 2.090 178.627 176.600 -0.105 0.000 1.048 175 K CA 1.302 57.537 56.287 -0.087 0.000 0.928 175 K CB -0.246 32.196 32.500 -0.097 0.000 0.713 175 K HN 0.260 nan 8.250 nan 0.000 0.442 176 L N 0.241 121.372 121.223 -0.152 0.000 2.217 176 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 176 L C 2.058 178.836 176.870 -0.152 0.000 1.107 176 L CA 0.871 55.579 54.840 -0.220 0.000 0.783 176 L CB -0.032 41.752 42.059 -0.457 0.000 0.919 176 L HN 0.137 nan 8.230 nan 0.000 0.442 177 Q N -0.658 119.080 119.800 -0.104 0.000 2.280 177 Q HA 0.125 4.464 4.340 -0.000 0.000 0.202 177 Q C 1.175 177.174 176.000 -0.002 0.000 0.903 177 Q CA 0.700 56.477 55.803 -0.042 0.000 0.948 177 Q CB 0.487 29.198 28.738 -0.046 0.000 1.058 177 Q HN 0.412 nan 8.270 nan 0.000 0.493 178 G N -1.136 107.659 108.800 -0.009 0.000 2.284 178 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 178 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 178 G C 0.335 175.188 174.900 -0.077 0.000 1.009 178 G CA -0.231 44.880 45.100 0.019 0.000 0.625 178 G HN 0.624 nan 8.290 nan 0.000 0.501 179 A N 0.096 122.874 122.820 -0.070 0.000 2.520 179 A HA 0.534 4.854 4.320 -0.000 0.000 0.235 179 A C 0.519 178.060 177.584 -0.073 0.000 1.065 179 A CA 1.014 53.004 52.037 -0.080 0.000 0.764 179 A CB 0.544 19.508 19.000 -0.061 0.000 1.002 179 A HN 1.321 nan 8.150 nan 0.000 0.502 180 V N 3.793 123.674 119.914 -0.056 0.000 2.304 180 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 180 V C -2.550 173.611 176.094 0.112 0.000 1.018 180 V CA -1.592 60.690 62.300 -0.030 0.000 0.814 180 V CB 1.050 32.788 31.823 -0.141 0.000 1.021 180 V HN 0.745 nan 8.190 nan 0.000 0.440 181 P HA 0.269 nan 4.420 nan 0.000 0.282 181 P C -0.013 177.330 177.300 0.071 0.000 1.274 181 P CA -0.132 63.034 63.100 0.110 0.000 0.770 181 P CB 0.415 32.198 31.700 0.138 0.000 0.867 182 F N 3.079 122.975 119.950 -0.089 0.000 2.740 182 F HA 0.361 4.888 4.527 -0.000 0.000 0.304 182 F C -0.176 175.566 175.800 -0.096 0.000 1.098 182 F CA -0.359 57.618 58.000 -0.037 0.000 1.258 182 F CB -0.004 39.118 39.000 0.203 0.000 1.061 182 F HN 0.068 nan 8.300 nan 0.000 0.598 183 V N -1.551 117.974 119.914 -0.647 0.000 3.007 183 V HA 0.506 4.626 4.120 -0.000 0.000 0.311 183 V C -1.118 174.786 176.094 -0.316 0.000 1.120 183 V CA -1.009 61.013 62.300 -0.464 0.000 0.980 183 V CB 1.402 32.921 31.823 -0.506 0.000 1.033 183 V HN 0.263 nan 8.190 nan 0.000 0.429 184 H N 1.449 120.305 119.070 -0.357 0.000 2.527 184 H HA 0.597 5.152 4.556 -0.000 0.000 0.321 184 H C 0.078 175.258 175.328 -0.246 0.000 1.087 184 H CA -0.128 55.753 56.048 -0.278 0.000 1.337 184 H CB 1.761 31.372 29.762 -0.252 0.000 1.440 184 H HN 0.985 nan 8.280 nan 0.000 0.490 185 T N 0.939 115.411 114.554 -0.136 0.000 2.934 185 T HA 0.097 4.447 4.350 -0.000 0.000 0.283 185 T C 0.403 175.016 174.700 -0.144 0.000 1.005 185 T CA -1.139 60.879 62.100 -0.136 0.000 1.041 185 T CB 1.425 70.230 68.868 -0.105 0.000 1.042 185 T HN 0.432 nan 8.240 nan 0.000 0.505 186 N N 0.518 119.149 118.700 -0.116 0.000 2.518 186 N HA 0.393 5.133 4.740 -0.000 0.000 0.266 186 N C -0.470 175.022 175.510 -0.031 0.000 1.196 186 N CA -0.411 52.583 53.050 -0.094 0.000 0.947 186 N CB 0.584 39.041 38.487 -0.051 0.000 1.098 186 N HN 0.746 nan 8.380 nan 0.000 0.450 187 V N 1.067 120.978 119.914 -0.004 0.000 2.864 187 V HA 0.781 4.901 4.120 -0.000 0.000 0.314 187 V C -2.475 173.661 176.094 0.070 0.000 1.073 187 V CA -2.151 60.169 62.300 0.032 0.000 0.956 187 V CB 1.827 33.662 31.823 0.020 0.000 1.023 187 V HN 0.605 nan 8.190 nan 0.000 0.435 188 P HA 0.116 nan 4.420 nan 0.000 0.273 188 P C 0.352 177.725 177.300 0.121 0.000 1.250 188 P CA 0.028 63.189 63.100 0.102 0.000 0.793 188 P CB 0.982 32.743 31.700 0.102 0.000 1.011 189 Q N 0.734 120.624 119.800 0.149 0.000 2.135 189 Q HA -0.128 4.211 4.340 -0.000 0.000 0.204 189 Q C 1.320 177.371 176.000 0.084 0.000 0.981 189 Q CA 2.013 57.901 55.803 0.142 0.000 0.856 189 Q CB -0.283 28.583 28.738 0.214 0.000 0.902 189 Q HN 0.316 nan 8.270 nan 0.000 0.425 190 S N -1.492 114.320 115.700 0.186 0.000 2.730 190 S HA 0.311 4.780 4.470 -0.000 0.000 0.244 190 S C 0.163 174.881 174.600 0.197 0.000 1.022 190 S CA 0.164 58.442 58.200 0.130 0.000 1.014 190 S CB 0.183 63.506 63.200 0.205 0.000 0.963 190 S HN 0.533 nan 8.310 nan 0.000 0.540 191 M N -0.995 118.702 119.600 0.162 0.000 2.835 191 M HA -0.234 4.246 4.480 -0.000 0.000 0.161 191 M C -0.001 176.411 176.300 0.187 0.000 0.676 191 M CA 0.793 56.179 55.300 0.144 0.000 0.607 191 M CB -1.320 31.328 32.600 0.080 0.000 2.212 191 M HN 0.252 nan 8.290 nan 0.000 0.291 192 L N 1.645 123.038 121.223 0.284 0.000 2.727 192 L HA 0.431 4.771 4.340 -0.000 0.000 0.237 192 L C 0.360 177.359 176.870 0.215 0.000 1.370 192 L CA 0.612 55.590 54.840 0.229 0.000 1.248 192 L CB 0.218 42.394 42.059 0.195 0.000 1.556 192 L HN 0.281 nan 8.230 nan 0.000 0.420 193 S N 0.106 115.923 115.700 0.195 0.000 2.547 193 S HA 0.417 4.887 4.470 -0.000 0.000 0.270 193 S C -0.121 174.607 174.600 0.213 0.000 1.150 193 S CA -0.642 57.658 58.200 0.166 0.000 0.850 193 S CB 0.728 63.993 63.200 0.109 0.000 1.118 193 S HN 0.279 nan 8.310 nan 0.000 0.461 194 F N 0.997 120.906 119.950 -0.069 0.000 2.668 194 F HA 0.572 5.099 4.527 -0.000 0.000 0.301 194 F C 0.279 176.017 175.800 -0.104 0.000 1.106 194 F CA -0.667 57.234 58.000 -0.164 0.000 1.289 194 F CB 0.084 38.737 39.000 -0.579 0.000 1.006 194 F HN 0.432 nan 8.300 nan 0.000 0.535 195 D N 0.583 120.821 120.400 -0.270 0.000 2.478 195 D HA 0.216 4.856 4.640 -0.000 0.000 0.269 195 D C -0.592 175.704 176.300 -0.007 0.000 1.232 195 D CA -0.548 53.368 54.000 -0.141 0.000 1.059 195 D CB 1.912 42.615 40.800 -0.161 0.000 1.104 195 D HN 0.227 nan 8.370 nan 0.000 0.566 196 C N 1.512 120.821 119.300 0.015 0.000 3.418 196 C HA 0.630 5.090 4.460 -0.000 0.000 0.238 196 C C -0.930 174.088 174.990 0.046 0.000 1.205 196 C CA -0.201 58.845 59.018 0.045 0.000 1.376 196 C CB -1.540 26.235 27.740 0.057 0.000 1.826 196 C HN 0.369 nan 8.230 nan 0.000 0.513 197 S N 3.650 119.383 115.700 0.055 0.000 2.537 197 S HA 0.780 5.250 4.470 -0.000 0.000 0.270 197 S C -1.724 172.928 174.600 0.087 0.000 1.142 197 S CA -0.413 57.825 58.200 0.063 0.000 0.870 197 S CB 1.387 64.610 63.200 0.039 0.000 1.112 197 S HN 0.976 nan 8.310 nan 0.000 0.466 198 N N 2.767 121.527 118.700 0.099 0.000 2.504 198 N HA 0.390 5.130 4.740 -0.000 0.000 0.268 198 N C -3.068 172.492 175.510 0.083 0.000 1.184 198 N CA -1.353 51.767 53.050 0.116 0.000 0.875 198 N CB 1.751 40.332 38.487 0.157 0.000 1.630 198 N HN 0.296 nan 8.380 nan 0.000 0.486 199 P HA 0.154 nan 4.420 nan 0.000 0.245 199 P C 1.062 178.330 177.300 -0.053 0.000 1.212 199 P CA 0.165 63.267 63.100 0.005 0.000 0.774 199 P CB 0.375 32.114 31.700 0.065 0.000 0.999 200 L N -2.571 118.602 121.223 -0.084 0.000 2.253 200 L HA 0.186 4.526 4.340 -0.000 0.000 0.205 200 L C 1.536 178.082 176.870 -0.541 0.000 1.078 200 L CA 1.612 56.244 54.840 -0.347 0.000 0.805 200 L CB -1.084 40.689 42.059 -0.478 0.000 0.963 200 L HN -0.073 nan 8.230 nan 0.000 0.459 201 F N -1.238 118.726 119.950 0.022 0.000 2.746 201 F HA 0.550 5.077 4.527 -0.000 0.000 0.320 201 F C 1.406 177.210 175.800 0.006 0.000 1.097 201 F CA 0.192 58.203 58.000 0.018 0.000 1.195 201 F CB 0.221 39.236 39.000 0.026 0.000 1.056 201 F HN 0.090 nan 8.300 nan 0.000 0.562 202 G N 1.143 110.023 108.800 0.134 0.000 2.681 202 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 202 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 202 G C -0.730 174.216 174.900 0.077 0.000 1.353 202 G CA -0.780 44.363 45.100 0.072 0.000 0.872 202 G HN 0.267 nan 8.290 nan 0.000 0.557 203 Q N -0.392 119.433 119.800 0.043 0.000 2.243 203 Q HA 0.605 4.945 4.340 -0.000 0.000 0.252 203 Q C -0.065 175.953 176.000 0.030 0.000 0.909 203 Q CA -0.123 55.700 55.803 0.034 0.000 0.922 203 Q CB 0.805 29.552 28.738 0.015 0.000 1.215 203 Q HN 0.627 nan 8.270 nan 0.000 0.427 204 T N 4.292 118.866 114.554 0.033 0.000 2.799 204 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 204 T C -0.446 174.272 174.700 0.031 0.000 0.973 204 T CA -0.373 61.744 62.100 0.028 0.000 1.035 204 T CB 0.652 69.539 68.868 0.031 0.000 0.932 204 T HN 0.542 nan 8.240 nan 0.000 0.469 205 M N 2.681 122.298 119.600 0.028 0.000 2.654 205 M HA 0.372 4.851 4.480 -0.000 0.000 0.310 205 M C 0.625 176.963 176.300 0.062 0.000 1.211 205 M CA -0.835 54.486 55.300 0.035 0.000 0.947 205 M CB 0.969 33.580 32.600 0.018 0.000 1.647 205 M HN 0.389 nan 8.290 nan 0.000 0.481 206 N N 2.269 121.018 118.700 0.081 0.000 2.458 206 N HA 0.090 4.830 4.740 -0.000 0.000 0.258 206 N C -1.843 173.743 175.510 0.125 0.000 1.219 206 N CA -0.900 52.230 53.050 0.134 0.000 0.902 206 N CB 1.025 39.596 38.487 0.140 0.000 1.076 206 N HN 0.363 nan 8.380 nan 0.000 0.455 207 P HA -0.093 nan 4.420 nan 0.000 0.218 207 P C 0.869 178.180 177.300 0.019 0.000 1.149 207 P CA 1.348 64.485 63.100 0.061 0.000 0.817 207 P CB 0.032 31.758 31.700 0.042 0.000 0.785 208 W N 0.827 122.130 121.300 0.006 0.000 2.476 208 W HA 0.157 4.817 4.660 -0.000 0.000 0.281 208 W C 1.113 177.624 176.519 -0.013 0.000 1.230 208 W CA 0.660 58.004 57.345 -0.001 0.000 1.287 208 W CB -0.003 29.459 29.460 0.002 0.000 1.108 208 W HN -0.099 nan 8.180 nan 0.000 0.567 209 K N -0.981 119.534 120.400 0.190 0.000 2.571 209 K HA 0.198 4.517 4.320 -0.000 0.000 0.252 209 K C 0.311 176.942 176.600 0.052 0.000 0.956 209 K CA -0.189 56.152 56.287 0.091 0.000 0.822 209 K CB 1.507 34.053 32.500 0.076 0.000 1.286 209 K HN -0.365 nan 8.250 nan 0.000 0.439 210 S N 0.576 116.290 115.700 0.024 0.000 2.453 210 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 210 S C 1.400 176.001 174.600 0.002 0.000 1.005 210 S CA 1.422 59.629 58.200 0.011 0.000 0.949 210 S CB -0.030 63.169 63.200 -0.002 0.000 0.774 210 S HN 0.731 nan 8.310 nan 0.000 0.510 211 S N 0.450 116.147 115.700 -0.004 0.000 2.515 211 S HA 0.130 4.600 4.470 -0.000 0.000 0.231 211 S C 0.604 175.188 174.600 -0.027 0.000 0.987 211 S CA 0.286 58.476 58.200 -0.016 0.000 0.936 211 S CB -0.021 63.167 63.200 -0.021 0.000 0.766 211 S HN 0.118 nan 8.310 nan 0.000 0.528 212 K N 1.966 122.353 120.400 -0.021 0.000 2.098 212 K HA 0.442 4.762 4.320 -0.000 0.000 0.258 212 K C -0.145 176.444 176.600 -0.019 0.000 0.973 212 K CA -0.321 55.938 56.287 -0.046 0.000 0.898 212 K CB 1.597 34.061 32.500 -0.061 0.000 1.057 212 K HN 0.176 nan 8.250 nan 0.000 0.447 213 S N 2.195 117.875 115.700 -0.035 0.000 2.576 213 S HA 0.143 4.613 4.470 -0.000 0.000 0.276 213 S C -1.440 173.244 174.600 0.140 0.000 1.339 213 S CA -1.297 56.926 58.200 0.038 0.000 1.039 213 S CB 0.438 63.657 63.200 0.033 0.000 0.902 213 S HN 0.323 nan 8.310 nan 0.000 0.516 214 P HA 0.182 nan 4.420 nan 0.000 0.237 214 P C 0.774 178.287 177.300 0.355 0.000 1.178 214 P CA 0.908 64.148 63.100 0.233 0.000 0.766 214 P CB -0.616 31.174 31.700 0.150 0.000 0.876 215 G N -1.148 107.910 108.800 0.431 0.000 2.631 215 G HA2 0.304 4.264 3.960 -0.000 0.000 0.504 215 G HA3 0.304 4.264 3.960 -0.000 0.000 0.504 215 G C -0.538 174.448 174.900 0.143 0.000 1.306 215 G CA -0.648 44.583 45.100 0.218 0.000 0.897 215 G HN 0.548 nan 8.290 nan 0.000 0.520 216 G N -2.272 106.614 108.800 0.143 0.000 2.556 216 G HA2 0.716 4.676 3.960 -0.000 0.000 0.294 216 G HA3 0.716 4.676 3.960 -0.000 0.000 0.294 216 G C 0.460 175.495 174.900 0.226 0.000 1.516 216 G CA 0.852 46.044 45.100 0.154 0.000 0.824 216 G HN 2.114 nan 8.290 nan 0.000 0.535 217 S N -1.289 114.513 115.700 0.170 0.000 2.524 217 S HA 0.132 4.602 4.470 -0.000 0.000 0.215 217 S C 1.155 175.805 174.600 0.084 0.000 0.986 217 S CA 0.728 59.000 58.200 0.119 0.000 0.911 217 S CB 0.305 63.570 63.200 0.109 0.000 0.805 217 S HN 0.732 nan 8.310 nan 0.000 0.501 218 S N 1.842 117.592 115.700 0.084 0.000 2.849 218 S HA 0.403 4.873 4.470 -0.000 0.000 0.244 218 S C 1.411 176.048 174.600 0.062 0.000 1.297 218 S CA -0.180 58.059 58.200 0.064 0.000 1.241 218 S CB 0.069 63.309 63.200 0.067 0.000 0.958 218 S HN 0.614 nan 8.310 nan 0.000 0.489 219 G N 1.988 110.830 108.800 0.070 0.000 2.422 219 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.218 219 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.218 219 G C 1.281 176.217 174.900 0.059 0.000 1.140 219 G CA 0.464 45.611 45.100 0.079 0.000 0.775 219 G HN 0.609 nan 8.290 nan 0.000 0.545 220 G N 0.683 109.501 108.800 0.030 0.000 2.421 220 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 220 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 220 G C 1.610 176.510 174.900 -0.000 0.000 1.171 220 G CA 1.008 46.110 45.100 0.003 0.000 0.775 220 G HN 0.329 nan 8.290 nan 0.000 0.543 221 E N 0.743 120.941 120.200 -0.003 0.000 2.070 221 E HA -0.136 4.213 4.350 -0.000 0.000 0.197 221 E C 2.774 179.391 176.600 0.029 0.000 1.004 221 E CA 1.292 57.690 56.400 -0.003 0.000 0.805 221 E CB -0.961 28.739 29.700 0.001 0.000 0.744 221 E HN 0.354 nan 8.360 nan 0.000 0.451 222 G N 1.023 109.855 108.800 0.053 0.000 2.440 222 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 222 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 222 G C 1.746 176.711 174.900 0.108 0.000 1.154 222 G CA 1.509 46.660 45.100 0.085 0.000 0.767 222 G HN 0.408 nan 8.290 nan 0.000 0.552 223 A N 0.000 122.877 122.820 0.094 0.000 1.930 223 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 223 A C 2.338 179.967 177.584 0.075 0.000 1.175 223 A CA 1.589 53.681 52.037 0.093 0.000 0.627 223 A CB -0.334 18.707 19.000 0.067 0.000 0.815 223 A HN 0.387 nan 8.150 nan 0.000 0.443 224 L N -0.390 120.865 121.223 0.053 0.000 2.049 224 L HA 0.050 4.390 4.340 -0.000 0.000 0.203 224 L C 2.247 179.167 176.870 0.082 0.000 1.074 224 L CA 1.484 56.356 54.840 0.054 0.000 0.749 224 L CB -0.413 41.658 42.059 0.020 0.000 0.907 224 L HN 0.399 nan 8.230 nan 0.000 0.439 225 I N -0.185 120.428 120.570 0.071 0.000 2.113 225 I HA -0.135 4.035 4.170 -0.000 0.000 0.238 225 I C 1.434 177.616 176.117 0.109 0.000 1.070 225 I CA 0.963 62.310 61.300 0.079 0.000 1.332 225 I CB -1.037 36.993 38.000 0.049 0.000 1.044 225 I HN 0.349 nan 8.210 nan 0.000 0.402 226 G N -0.464 108.414 108.800 0.130 0.000 2.491 226 G HA2 0.262 4.222 3.960 -0.000 0.000 0.242 226 G HA3 0.262 4.222 3.960 -0.000 0.000 0.242 226 G C 0.820 175.800 174.900 0.134 0.000 1.266 226 G CA 0.463 45.672 45.100 0.182 0.000 0.844 226 G HN 0.602 nan 8.290 nan 0.000 0.571 227 S N -0.017 115.733 115.700 0.083 0.000 1.707 227 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 227 S C 2.008 176.627 174.600 0.032 0.000 0.875 227 S CA 1.789 59.988 58.200 -0.001 0.000 1.437 227 S CB -1.566 61.623 63.200 -0.018 0.000 1.819 227 S HN 2.917 nan 8.310 nan 0.000 0.531 228 G N 0.556 109.409 108.800 0.089 0.000 2.151 228 G HA2 0.305 4.265 3.960 -0.000 0.000 0.140 228 G HA3 0.305 4.265 3.960 -0.000 0.000 0.140 228 G C 1.138 176.176 174.900 0.230 0.000 1.020 228 G CA 0.779 45.964 45.100 0.142 0.000 0.688 228 G HN 1.785 nan 8.290 nan 0.000 0.500 229 G N -0.304 108.620 108.800 0.207 0.000 2.712 229 G HA2 0.426 4.386 3.960 -0.000 0.000 0.212 229 G HA3 0.426 4.386 3.960 -0.000 0.000 0.212 229 G C 0.635 175.770 174.900 0.392 0.000 1.142 229 G CA 1.523 46.789 45.100 0.277 0.000 0.789 229 G HN 1.649 nan 8.290 nan 0.000 0.535 230 S N -0.505 115.344 115.700 0.249 0.000 2.546 230 S HA 0.557 5.027 4.470 -0.000 0.000 0.272 230 S C -2.303 172.211 174.600 -0.143 0.000 1.140 230 S CA -1.087 57.144 58.200 0.052 0.000 0.920 230 S CB 2.647 65.954 63.200 0.179 0.000 1.083 230 S HN -0.105 nan 8.310 nan 0.000 0.476 231 P HA 0.231 nan 4.420 nan 0.000 0.231 231 P C 0.032 177.263 177.300 -0.115 0.000 1.168 231 P CA 0.319 63.264 63.100 -0.259 0.000 0.779 231 P CB -0.089 31.369 31.700 -0.404 0.000 0.844 232 L N -2.432 118.728 121.223 -0.105 0.000 2.794 232 L HA 0.813 5.153 4.340 -0.000 0.000 0.261 232 L C -1.462 175.365 176.870 -0.071 0.000 0.989 232 L CA -0.475 54.323 54.840 -0.071 0.000 0.900 232 L CB 1.603 43.615 42.059 -0.079 0.000 1.473 232 L HN -0.004 nan 8.230 nan 0.000 0.414 233 G N 1.507 110.257 108.800 -0.084 0.000 2.600 233 G HA2 0.618 4.578 3.960 -0.000 0.000 0.293 233 G HA3 0.618 4.578 3.960 -0.000 0.000 0.293 233 G C -2.543 172.268 174.900 -0.149 0.000 1.408 233 G CA -0.748 44.276 45.100 -0.127 0.000 0.782 233 G HN 0.599 nan 8.290 nan 0.000 0.482 234 L N 0.818 121.895 121.223 -0.243 0.000 2.333 234 L HA 0.766 5.106 4.340 -0.000 0.000 0.280 234 L C 0.821 177.638 176.870 -0.088 0.000 1.004 234 L CA -0.059 54.608 54.840 -0.289 0.000 0.820 234 L CB 1.464 43.077 42.059 -0.743 0.000 1.247 234 L HN 0.890 nan 8.230 nan 0.000 0.416 235 G N 0.832 109.708 108.800 0.126 0.000 2.820 235 G HA2 0.749 4.709 3.960 -0.000 0.000 0.291 235 G HA3 0.749 4.709 3.960 -0.000 0.000 0.291 235 G C -0.788 174.314 174.900 0.337 0.000 1.323 235 G CA -0.125 45.138 45.100 0.271 0.000 1.055 235 G HN 0.546 nan 8.290 nan 0.000 0.520 236 T N -2.292 112.359 114.554 0.160 0.000 2.916 236 T HA 0.637 4.987 4.350 -0.000 0.000 0.292 236 T C -1.762 172.953 174.700 0.025 0.000 1.055 236 T CA -0.751 61.380 62.100 0.051 0.000 1.009 236 T CB 2.584 71.406 68.868 -0.077 0.000 1.118 236 T HN 0.436 nan 8.240 nan 0.000 0.497 237 D N 0.969 121.370 120.400 0.002 0.000 2.763 237 D HA 0.331 4.970 4.640 -0.000 0.000 0.235 237 D C -0.450 175.832 176.300 -0.029 0.000 1.334 237 D CA -0.553 53.435 54.000 -0.020 0.000 0.950 237 D CB 1.808 42.586 40.800 -0.037 0.000 1.433 237 D HN 0.635 nan 8.370 nan 0.000 0.580 238 I N 1.949 122.499 120.570 -0.035 0.000 4.338 238 I HA 0.305 4.475 4.170 -0.000 0.000 0.329 238 I C 0.875 176.951 176.117 -0.069 0.000 1.378 238 I CA 0.167 61.437 61.300 -0.049 0.000 1.170 238 I CB 0.766 38.737 38.000 -0.048 0.000 1.206 238 I HN 0.516 nan 8.210 nan 0.000 0.432 239 G N -0.528 108.232 108.800 -0.067 0.000 3.462 239 G HA2 0.264 4.224 3.960 -0.000 0.000 0.168 239 G HA3 0.264 4.224 3.960 -0.000 0.000 0.168 239 G C 0.805 175.623 174.900 -0.137 0.000 1.220 239 G CA 0.605 45.660 45.100 -0.074 0.000 0.862 239 G HN 0.327 nan 8.290 nan 0.000 0.812 240 G N 0.084 108.754 108.800 -0.218 0.000 3.290 240 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.220 240 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.220 240 G C 0.958 175.583 174.900 -0.458 0.000 0.940 240 G CA 0.781 45.495 45.100 -0.643 0.000 0.884 240 G HN 0.357 nan 8.290 nan 0.000 0.649 241 S N -0.004 115.655 115.700 -0.069 0.000 2.515 241 S HA 0.194 4.664 4.470 -0.000 0.000 0.231 241 S C 2.095 176.711 174.600 0.027 0.000 0.987 241 S CA 0.818 59.069 58.200 0.086 0.000 0.936 241 S CB -0.039 63.222 63.200 0.102 0.000 0.766 241 S HN 0.492 nan 8.310 nan 0.000 0.528 242 I N 0.501 121.046 120.570 -0.043 0.000 2.585 242 I HA 0.016 4.186 4.170 -0.000 0.000 0.254 242 I C 2.393 178.464 176.117 -0.078 0.000 1.129 242 I CA 0.666 61.947 61.300 -0.032 0.000 1.455 242 I CB 0.031 38.019 38.000 -0.020 0.000 1.111 242 I HN 0.112 nan 8.210 nan 0.000 0.433 243 R N -0.293 120.099 120.500 -0.180 0.000 2.100 243 R HA 0.002 4.342 4.340 -0.000 0.000 0.220 243 R C 2.176 178.335 176.300 -0.236 0.000 1.091 243 R CA 0.974 56.938 56.100 -0.227 0.000 0.986 243 R CB -0.206 29.901 30.300 -0.323 0.000 0.888 243 R HN 0.126 nan 8.270 nan 0.000 0.444 244 F N 1.170 120.972 119.950 -0.247 0.000 2.069 244 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 244 F C -0.632 174.846 175.800 -0.537 0.000 1.113 244 F CA 0.908 58.604 58.000 -0.507 0.000 1.214 244 F CB -1.600 37.133 39.000 -0.445 0.000 0.978 244 F HN -0.011 nan 8.300 nan 0.000 0.474 245 P HA -0.039 nan 4.420 nan 0.000 0.220 245 P C 1.699 179.030 177.300 0.051 0.000 1.152 245 P CA 1.610 64.727 63.100 0.029 0.000 0.812 245 P CB -0.052 31.686 31.700 0.064 0.000 0.792 246 S N 0.181 115.888 115.700 0.011 0.000 2.368 246 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 246 S C 2.087 176.698 174.600 0.019 0.000 1.030 246 S CA 1.481 59.689 58.200 0.013 0.000 0.999 246 S CB -1.116 62.075 63.200 -0.014 0.000 0.844 246 S HN 0.165 nan 8.310 nan 0.000 0.459 247 A N 0.509 123.334 122.820 0.008 0.000 2.014 247 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 247 A C 1.633 179.366 177.584 0.249 0.000 1.163 247 A CA 0.988 53.074 52.037 0.082 0.000 0.652 247 A CB -0.447 18.605 19.000 0.086 0.000 0.808 247 A HN 0.460 nan 8.150 nan 0.000 0.449 248 F N -1.446 118.515 119.950 0.018 0.000 2.530 248 F HA 0.072 4.599 4.527 -0.000 0.000 0.292 248 F C 2.003 177.758 175.800 -0.076 0.000 1.109 248 F CA -0.412 57.581 58.000 -0.012 0.000 1.450 248 F CB -0.688 38.345 39.000 0.056 0.000 1.114 248 F HN 0.234 nan 8.300 nan 0.000 0.560 249 C N -0.849 118.541 119.300 0.150 0.000 3.070 249 C HA 0.545 5.005 4.460 -0.000 0.000 0.280 249 C C 1.635 176.645 174.990 0.033 0.000 1.264 249 C CA 0.147 59.237 59.018 0.120 0.000 1.690 249 C CB -0.539 27.339 27.740 0.229 0.000 2.049 249 C HN 0.644 nan 8.230 nan 0.000 0.636 250 G N 2.295 111.069 108.800 -0.044 0.000 2.248 250 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 250 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 250 G C -0.238 174.687 174.900 0.042 0.000 1.082 250 G CA 0.621 45.680 45.100 -0.069 0.000 0.863 250 G HN 0.745 nan 8.290 nan 0.000 0.495 251 I N -3.605 116.997 120.570 0.054 0.000 3.237 251 I HA 0.861 5.031 4.170 -0.000 0.000 0.308 251 I C 0.524 176.655 176.117 0.023 0.000 1.093 251 I CA -1.686 59.648 61.300 0.056 0.000 1.001 251 I CB 1.657 39.702 38.000 0.076 0.000 1.245 251 I HN 0.055 nan 8.210 nan 0.000 0.485 252 C N 1.406 120.717 119.300 0.018 0.000 2.358 252 C HA 0.935 5.395 4.460 -0.000 0.000 0.342 252 C C 0.484 175.472 174.990 -0.003 0.000 1.234 252 C CA -0.135 58.884 59.018 0.001 0.000 1.969 252 C CB 0.119 27.861 27.740 0.003 0.000 2.346 252 C HN 1.021 nan 8.230 nan 0.000 0.525 253 G N 1.455 110.247 108.800 -0.014 0.000 2.720 253 G HA2 0.671 4.631 3.960 -0.000 0.000 0.295 253 G HA3 0.671 4.631 3.960 -0.000 0.000 0.295 253 G C -2.093 172.796 174.900 -0.018 0.000 1.437 253 G CA -0.384 44.707 45.100 -0.016 0.000 0.886 253 G HN 0.803 nan 8.290 nan 0.000 0.509 254 L N 0.212 121.430 121.223 -0.009 0.000 2.464 254 L HA 0.729 5.069 4.340 -0.000 0.000 0.266 254 L C -0.547 176.325 176.870 0.004 0.000 0.965 254 L CA -0.814 54.025 54.840 -0.002 0.000 0.833 254 L CB 2.156 44.226 42.059 0.018 0.000 1.296 254 L HN 0.482 nan 8.230 nan 0.000 0.405 255 K N 6.538 126.935 120.400 -0.004 0.000 2.268 255 K HA 0.525 4.845 4.320 -0.000 0.000 0.276 255 K C -2.546 174.061 176.600 0.012 0.000 1.080 255 K CA -1.688 54.601 56.287 0.003 0.000 0.910 255 K CB 1.001 33.492 32.500 -0.016 0.000 1.163 255 K HN 0.392 nan 8.250 nan 0.000 0.465 256 P HA 0.102 nan 4.420 nan 0.000 0.277 256 P C -0.745 176.539 177.300 -0.027 0.000 1.271 256 P CA -0.440 62.674 63.100 0.022 0.000 0.795 256 P CB 0.413 32.154 31.700 0.068 0.000 1.101 257 T N 0.083 114.576 114.554 -0.103 0.000 2.930 257 T HA 0.167 4.517 4.350 -0.000 0.000 0.306 257 T C 1.886 176.472 174.700 -0.189 0.000 1.045 257 T CA 0.455 62.383 62.100 -0.286 0.000 1.134 257 T CB 0.245 68.674 68.868 -0.732 0.000 0.961 257 T HN 0.560 nan 8.240 nan 0.000 0.545 258 G N 1.515 110.215 108.800 -0.167 0.000 2.450 258 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 258 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 258 G C 1.181 176.116 174.900 0.057 0.000 1.130 258 G CA 0.407 45.486 45.100 -0.035 0.000 0.760 258 G HN 0.791 nan 8.290 nan 0.000 0.557 259 N N -0.610 118.158 118.700 0.114 0.000 2.280 259 N HA 0.048 4.788 4.740 -0.000 0.000 0.192 259 N C 2.055 177.823 175.510 0.431 0.000 1.109 259 N CA -0.314 52.916 53.050 0.300 0.000 0.855 259 N CB 0.117 38.848 38.487 0.407 0.000 0.974 259 N HN 0.058 nan 8.380 nan 0.000 0.482 260 R N 0.264 121.016 120.500 0.420 0.000 2.096 260 R HA 0.124 4.464 4.340 -0.000 0.000 0.235 260 R C 0.294 176.778 176.300 0.307 0.000 1.127 260 R CA 1.193 57.555 56.100 0.437 0.000 0.968 260 R CB 0.064 30.578 30.300 0.355 0.000 0.861 260 R HN 0.154 nan 8.270 nan 0.000 0.440 261 L N -1.204 120.153 121.223 0.222 0.000 2.303 261 L HA 0.381 4.720 4.340 -0.000 0.000 0.266 261 L C -0.146 176.820 176.870 0.160 0.000 1.011 261 L CA -1.098 53.849 54.840 0.179 0.000 0.818 261 L CB 1.795 43.941 42.059 0.146 0.000 1.326 261 L HN -0.095 nan 8.230 nan 0.000 0.435 262 S N -0.086 115.696 115.700 0.137 0.000 2.528 262 S HA 0.158 4.628 4.470 -0.000 0.000 0.277 262 S C 0.568 175.235 174.600 0.111 0.000 1.297 262 S CA -0.280 57.992 58.200 0.120 0.000 1.052 262 S CB 0.646 63.904 63.200 0.098 0.000 0.917 262 S HN 0.617 nan 8.310 nan 0.000 0.492 263 K N 3.002 123.456 120.400 0.089 0.000 2.426 263 K HA 0.089 4.409 4.320 -0.000 0.000 0.193 263 K C 2.109 178.740 176.600 0.052 0.000 1.028 263 K CA 0.133 56.456 56.287 0.060 0.000 1.047 263 K CB -0.070 32.465 32.500 0.058 0.000 0.821 263 K HN 0.607 nan 8.250 nan 0.000 0.513 264 S N 0.384 116.121 115.700 0.062 0.000 2.390 264 S HA -0.191 4.279 4.470 -0.000 0.000 0.234 264 S C 1.459 176.080 174.600 0.035 0.000 1.063 264 S CA 1.878 60.106 58.200 0.047 0.000 1.108 264 S CB -0.166 63.062 63.200 0.047 0.000 0.975 264 S HN 0.553 nan 8.310 nan 0.000 0.442 265 G N 0.229 109.056 108.800 0.045 0.000 4.222 265 G HA2 0.475 4.435 3.960 -0.000 0.000 0.301 265 G HA3 0.475 4.435 3.960 -0.000 0.000 0.301 265 G C -0.450 174.475 174.900 0.041 0.000 1.171 265 G CA -0.447 44.678 45.100 0.043 0.000 0.937 265 G HN 0.278 nan 8.290 nan 0.000 0.557 266 L N 0.584 121.810 121.223 0.004 0.000 2.426 266 L HA 0.323 4.662 4.340 -0.000 0.000 0.271 266 L C 0.593 177.487 176.870 0.040 0.000 1.169 266 L CA -0.024 54.771 54.840 -0.076 0.000 0.836 266 L CB 1.073 43.035 42.059 -0.161 0.000 1.112 266 L HN 0.025 nan 8.230 nan 0.000 0.465 267 K N 1.474 121.876 120.400 0.004 0.000 2.276 267 K HA 0.567 4.887 4.320 -0.000 0.000 0.285 267 K C -0.073 176.520 176.600 -0.011 0.000 1.062 267 K CA -0.086 56.250 56.287 0.081 0.000 0.918 267 K CB 0.797 33.326 32.500 0.048 0.000 1.055 267 K HN 0.707 nan 8.250 nan 0.000 0.477 268 G N 1.245 110.003 108.800 -0.070 0.000 2.537 268 G HA2 0.272 4.232 3.960 -0.000 0.000 0.323 268 G HA3 0.272 4.232 3.960 -0.000 0.000 0.323 268 G C 0.465 175.052 174.900 -0.521 0.000 1.207 268 G CA -0.638 44.246 45.100 -0.360 0.000 0.976 268 G HN 0.918 nan 8.290 nan 0.000 0.487 269 C N -1.002 118.082 119.300 -0.360 0.000 2.912 269 C HA 0.534 4.993 4.460 -0.000 0.000 0.274 269 C C 0.799 175.621 174.990 -0.281 0.000 1.248 269 C CA 0.142 58.985 59.018 -0.292 0.000 1.694 269 C CB -1.276 26.350 27.740 -0.190 0.000 2.024 269 C HN 0.797 nan 8.230 nan 0.000 0.605 270 V N -1.060 118.671 119.914 -0.304 0.000 2.735 270 V HA 0.791 4.910 4.120 -0.000 0.000 0.310 270 V C -1.542 174.348 176.094 -0.341 0.000 1.061 270 V CA -0.714 61.465 62.300 -0.202 0.000 0.913 270 V CB 1.476 33.339 31.823 0.067 0.000 1.005 270 V HN 0.324 nan 8.190 nan 0.000 0.428 271 Y N 2.101 122.441 120.300 0.066 0.000 2.562 271 Y HA 0.793 5.343 4.550 -0.000 0.000 0.343 271 Y C 1.191 177.122 175.900 0.052 0.000 1.025 271 Y CA -0.008 58.121 58.100 0.048 0.000 1.082 271 Y CB 2.297 40.780 38.460 0.037 0.000 1.264 271 Y HN 1.261 nan 8.280 nan 0.000 0.478 272 G N 1.026 109.964 108.800 0.230 0.000 2.153 272 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.252 272 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.252 272 G C -0.024 174.943 174.900 0.111 0.000 0.994 272 G CA -0.240 44.948 45.100 0.147 0.000 0.698 272 G HN 0.478 nan 8.290 nan 0.000 0.521 273 Q N 0.359 120.215 119.800 0.093 0.000 2.304 273 Q HA 0.456 4.796 4.340 -0.000 0.000 0.260 273 Q C 1.559 177.591 176.000 0.054 0.000 0.965 273 Q CA 1.068 56.908 55.803 0.062 0.000 0.898 273 Q CB 1.003 29.761 28.738 0.032 0.000 1.196 273 Q HN 0.616 nan 8.270 nan 0.000 0.402 274 T N -0.872 113.713 114.554 0.051 0.000 2.989 274 T HA 0.363 4.713 4.350 -0.000 0.000 0.250 274 T C 0.559 175.275 174.700 0.027 0.000 0.981 274 T CA 0.253 62.381 62.100 0.046 0.000 0.980 274 T CB 0.252 69.156 68.868 0.061 0.000 1.133 274 T HN 0.506 nan 8.240 nan 0.000 0.489 275 A N 2.510 125.344 122.820 0.022 0.000 2.401 275 A HA 0.633 4.953 4.320 -0.000 0.000 0.259 275 A C 0.378 177.942 177.584 -0.033 0.000 1.103 275 A CA -0.317 51.719 52.037 -0.000 0.000 0.789 275 A CB -0.466 18.535 19.000 0.003 0.000 1.035 275 A HN 1.238 nan 8.150 nan 0.000 0.491 276 V N 1.872 121.756 119.914 -0.049 0.000 3.480 276 V HA -0.145 3.975 4.120 -0.000 0.000 0.494 276 V C -0.430 175.636 176.094 -0.047 0.000 0.682 276 V CA 0.361 62.619 62.300 -0.069 0.000 2.039 276 V CB -1.340 30.419 31.823 -0.107 0.000 2.474 276 V HN 1.019 nan 8.190 nan 0.000 0.505 277 Q N 3.019 122.793 119.800 -0.043 0.000 2.290 277 Q HA 0.667 5.007 4.340 -0.000 0.000 0.259 277 Q C -0.314 175.671 176.000 -0.026 0.000 0.941 277 Q CA -0.837 54.950 55.803 -0.026 0.000 0.912 277 Q CB 2.090 30.811 28.738 -0.028 0.000 1.244 277 Q HN 0.789 nan 8.270 nan 0.000 0.441 278 L N 2.109 123.324 121.223 -0.013 0.000 2.331 278 L HA 0.368 4.708 4.340 -0.000 0.000 0.278 278 L C -0.803 176.067 176.870 -0.000 0.000 1.106 278 L CA 0.499 55.331 54.840 -0.013 0.000 0.824 278 L CB 0.936 42.988 42.059 -0.012 0.000 1.142 278 L HN 0.448 nan 8.230 nan 0.000 0.443 279 S N 5.472 121.172 115.700 0.001 0.000 2.538 279 S HA 0.679 5.149 4.470 -0.000 0.000 0.288 279 S C -0.711 173.912 174.600 0.038 0.000 1.108 279 S CA -0.823 57.391 58.200 0.023 0.000 0.971 279 S CB 1.478 64.688 63.200 0.017 0.000 1.041 279 S HN 0.697 nan 8.310 nan 0.000 0.483 280 L N 0.466 121.736 121.223 0.078 0.000 2.399 280 L HA 1.076 5.416 4.340 -0.000 0.000 0.265 280 L C 0.399 177.361 176.870 0.154 0.000 1.089 280 L CA -0.397 54.539 54.840 0.160 0.000 0.802 280 L CB 0.571 42.784 42.059 0.257 0.000 1.180 280 L HN 0.833 nan 8.230 nan 0.000 0.454 281 G N 0.208 109.107 108.800 0.165 0.000 2.349 281 G HA2 0.533 4.492 3.960 -0.000 0.000 0.294 281 G HA3 0.533 4.492 3.960 -0.000 0.000 0.294 281 G C -3.362 171.561 174.900 0.040 0.000 1.380 281 G CA -0.760 44.390 45.100 0.084 0.000 0.811 281 G HN 0.541 nan 8.290 nan 0.000 0.519 282 P HA 0.653 nan 4.420 nan 0.000 0.287 282 P C -0.936 176.350 177.300 -0.024 0.000 1.270 282 P CA -0.511 62.568 63.100 -0.034 0.000 0.844 282 P CB 1.574 33.242 31.700 -0.053 0.000 1.068 283 M N 1.609 121.189 119.600 -0.033 0.000 2.393 283 M HA 0.770 5.250 4.480 -0.000 0.000 0.299 283 M C -0.378 175.909 176.300 -0.022 0.000 1.103 283 M CA -0.294 54.995 55.300 -0.019 0.000 0.910 283 M CB 2.719 35.314 32.600 -0.007 0.000 1.659 283 M HN 0.483 nan 8.290 nan 0.000 0.445 284 A N 1.529 124.344 122.820 -0.007 0.000 2.506 284 A HA 0.628 4.948 4.320 -0.000 0.000 0.305 284 A C -0.262 177.337 177.584 0.024 0.000 1.166 284 A CA -0.717 51.320 52.037 0.001 0.000 0.638 284 A CB 1.205 20.196 19.000 -0.015 0.000 1.336 284 A HN 0.862 nan 8.150 nan 0.000 0.493 285 R N -0.372 120.150 120.500 0.035 0.000 2.240 285 R HA 0.089 4.429 4.340 -0.000 0.000 0.203 285 R C -0.749 175.579 176.300 0.047 0.000 1.011 285 R CA 1.534 57.667 56.100 0.056 0.000 1.007 285 R CB -0.052 30.291 30.300 0.073 0.000 0.911 285 R HN 0.833 nan 8.270 nan 0.000 0.468 286 D N -2.665 117.757 120.400 0.036 0.000 2.570 286 D HA 0.040 4.680 4.640 -0.000 0.000 0.244 286 D C 0.595 176.914 176.300 0.031 0.000 1.178 286 D CA -0.741 53.280 54.000 0.035 0.000 0.881 286 D CB 1.342 42.168 40.800 0.042 0.000 1.453 286 D HN -0.193 nan 8.370 nan 0.000 0.447 287 V N -0.725 119.214 119.914 0.042 0.000 2.809 287 V HA -0.085 4.034 4.120 -0.000 0.000 0.256 287 V C 1.325 177.465 176.094 0.077 0.000 1.080 287 V CA 1.440 63.774 62.300 0.056 0.000 1.102 287 V CB -0.644 31.223 31.823 0.072 0.000 0.705 287 V HN 0.530 nan 8.190 nan 0.000 0.475 288 E N 1.166 121.428 120.200 0.102 0.000 2.204 288 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 288 E C 2.365 178.975 176.600 0.016 0.000 0.989 288 E CA 1.445 57.917 56.400 0.119 0.000 0.824 288 E CB -0.288 29.491 29.700 0.132 0.000 0.756 288 E HN 0.711 nan 8.360 nan 0.000 0.477 289 S N 0.323 116.023 115.700 0.001 0.000 2.383 289 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 289 S C 1.848 176.402 174.600 -0.077 0.000 1.026 289 S CA 0.759 58.938 58.200 -0.034 0.000 0.981 289 S CB -0.157 63.032 63.200 -0.019 0.000 0.818 289 S HN 0.208 nan 8.310 nan 0.000 0.472 290 L N 1.175 122.357 121.223 -0.068 0.000 2.093 290 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 290 L C 2.817 179.579 176.870 -0.179 0.000 1.085 290 L CA 1.072 55.858 54.840 -0.090 0.000 0.755 290 L CB -0.844 41.190 42.059 -0.042 0.000 0.904 290 L HN 0.290 nan 8.230 nan 0.000 0.435 291 A N 0.389 123.060 122.820 -0.248 0.000 1.877 291 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 291 A C 2.347 179.555 177.584 -0.626 0.000 1.186 291 A CA 1.413 53.124 52.037 -0.543 0.000 0.620 291 A CB -0.775 17.821 19.000 -0.673 0.000 0.822 291 A HN 0.332 nan 8.150 nan 0.000 0.443 292 L N -0.387 120.634 121.223 -0.338 0.000 1.990 292 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 292 L C 2.802 179.517 176.870 -0.258 0.000 1.072 292 L CA 2.509 57.197 54.840 -0.253 0.000 0.755 292 L CB -0.755 41.229 42.059 -0.126 0.000 0.889 292 L HN 0.657 nan 8.230 nan 0.000 0.432 293 C N -0.294 118.879 119.300 -0.212 0.000 2.446 293 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 293 C C 2.837 177.711 174.990 -0.194 0.000 1.275 293 C CA 0.365 59.281 59.018 -0.170 0.000 1.727 293 C CB -0.924 26.738 27.740 -0.129 0.000 2.010 293 C HN 0.506 nan 8.230 nan 0.000 0.486 294 L N 0.629 121.695 121.223 -0.262 0.000 2.046 294 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 294 L C 2.713 179.408 176.870 -0.291 0.000 1.077 294 L CA 2.105 56.809 54.840 -0.228 0.000 0.747 294 L CB -0.852 41.089 42.059 -0.196 0.000 0.896 294 L HN 0.455 nan 8.230 nan 0.000 0.432 295 K N -0.366 119.661 120.400 -0.622 0.000 2.097 295 K HA -0.156 4.163 4.320 -0.000 0.000 0.206 295 K C 1.987 178.486 176.600 -0.169 0.000 1.049 295 K CA 1.282 57.297 56.287 -0.453 0.000 0.933 295 K CB 0.007 32.137 32.500 -0.616 0.000 0.717 295 K HN 0.326 nan 8.250 nan 0.000 0.442 296 A N 0.466 123.182 122.820 -0.172 0.000 1.969 296 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 296 A C 1.860 179.388 177.584 -0.094 0.000 1.169 296 A CA 0.923 52.899 52.037 -0.102 0.000 0.635 296 A CB -0.278 18.663 19.000 -0.097 0.000 0.810 296 A HN 0.243 nan 8.150 nan 0.000 0.445 297 L N -1.044 120.116 121.223 -0.105 0.000 2.179 297 L HA 0.133 4.473 4.340 -0.000 0.000 0.208 297 L C 0.917 177.698 176.870 -0.148 0.000 1.096 297 L CA 1.025 55.805 54.840 -0.101 0.000 0.779 297 L CB -0.490 41.531 42.059 -0.064 0.000 0.922 297 L HN 0.218 nan 8.230 nan 0.000 0.443 298 L N 0.323 121.495 121.223 -0.085 0.000 2.998 298 L HA 0.158 4.498 4.340 -0.000 0.000 0.234 298 L C 0.286 177.075 176.870 -0.134 0.000 1.350 298 L CA -0.275 54.538 54.840 -0.044 0.000 1.202 298 L CB -1.251 40.975 42.059 0.278 0.000 1.583 298 L HN 0.323 nan 8.230 nan 0.000 0.456 299 C N -3.850 115.225 119.300 -0.375 0.000 2.486 299 C HA 0.775 5.235 4.460 -0.000 0.000 0.348 299 C C 1.805 176.563 174.990 -0.388 0.000 1.203 299 C CA -0.151 58.750 59.018 -0.196 0.000 1.911 299 C CB 1.101 28.806 27.740 -0.059 0.000 2.340 299 C HN 0.585 nan 8.230 nan 0.000 0.511 300 E N -0.927 119.232 120.200 -0.069 0.000 2.333 300 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 300 E C 1.659 178.197 176.600 -0.103 0.000 1.007 300 E CA 1.732 58.147 56.400 0.025 0.000 0.845 300 E CB -0.976 28.752 29.700 0.048 0.000 0.766 300 E HN 0.881 nan 8.360 nan 0.000 0.507 301 H N -0.820 118.188 119.070 -0.103 0.000 2.387 301 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 301 H C 2.329 177.573 175.328 -0.140 0.000 1.099 301 H CA 1.775 57.764 56.048 -0.097 0.000 1.315 301 H CB -0.185 29.523 29.762 -0.091 0.000 1.380 301 H HN 0.453 nan 8.280 nan 0.000 0.513 302 L N 0.190 121.304 121.223 -0.182 0.000 2.044 302 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 302 L C 1.777 178.548 176.870 -0.164 0.000 1.075 302 L CA 1.252 55.938 54.840 -0.256 0.000 0.747 302 L CB -0.529 41.254 42.059 -0.460 0.000 0.903 302 L HN -0.058 nan 8.230 nan 0.000 0.435 303 F N -0.724 119.253 119.950 0.045 0.000 2.546 303 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 303 F C 2.242 178.052 175.800 0.016 0.000 1.120 303 F CA 1.024 59.039 58.000 0.024 0.000 1.456 303 F CB -1.752 37.253 39.000 0.007 0.000 1.088 303 F HN 0.048 nan 8.300 nan 0.000 0.572 304 T N -0.036 114.598 114.554 0.132 0.000 2.814 304 T HA 0.108 4.458 4.350 -0.000 0.000 0.254 304 T C 1.006 175.749 174.700 0.071 0.000 1.037 304 T CA 0.488 62.639 62.100 0.084 0.000 1.143 304 T CB -0.315 68.582 68.868 0.048 0.000 0.866 304 T HN -0.029 nan 8.240 nan 0.000 0.431 305 L N 3.049 124.308 121.223 0.061 0.000 2.375 305 L HA 0.319 4.659 4.340 -0.000 0.000 0.276 305 L C -0.590 176.312 176.870 0.054 0.000 1.162 305 L CA -0.175 54.694 54.840 0.048 0.000 0.991 305 L CB -0.229 41.850 42.059 0.035 0.000 1.315 305 L HN 0.183 nan 8.230 nan 0.000 0.431 306 D N 1.795 122.234 120.400 0.065 0.000 3.579 306 D HA -0.074 4.566 4.640 -0.000 0.000 0.236 306 D C -2.099 174.273 176.300 0.119 0.000 1.020 306 D CA -0.188 53.862 54.000 0.084 0.000 1.030 306 D CB 0.124 40.977 40.800 0.087 0.000 0.902 306 D HN 0.223 nan 8.370 nan 0.000 0.409 307 P HA -0.018 nan 4.420 nan 0.000 0.241 307 P C 1.520 178.864 177.300 0.074 0.000 1.191 307 P CA 1.032 64.190 63.100 0.097 0.000 0.771 307 P CB 0.173 31.910 31.700 0.062 0.000 0.929 308 T N -2.968 111.631 114.554 0.075 0.000 2.746 308 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 308 T C 0.976 175.725 174.700 0.081 0.000 1.039 308 T CA 0.567 62.707 62.100 0.066 0.000 1.142 308 T CB -1.434 67.476 68.868 0.070 0.000 0.866 308 T HN -0.159 nan 8.240 nan 0.000 0.444 309 V N 5.388 125.379 119.914 0.128 0.000 2.509 309 V HA 0.158 4.278 4.120 -0.000 0.000 0.297 309 V C -1.831 174.304 176.094 0.069 0.000 1.014 309 V CA -1.486 60.914 62.300 0.168 0.000 1.127 309 V CB -0.157 31.835 31.823 0.282 0.000 0.925 309 V HN 0.465 nan 8.190 nan 0.000 0.480 310 P HA 0.134 nan 4.420 nan 0.000 0.264 310 P C -2.493 174.520 177.300 -0.478 0.000 1.193 310 P CA -1.469 61.470 63.100 -0.269 0.000 0.763 310 P CB 0.096 31.532 31.700 -0.439 0.000 0.810 311 P HA 0.210 nan 4.420 nan 0.000 0.225 311 P C -0.394 176.272 177.300 -1.057 0.000 1.813 311 P CA 0.123 62.311 63.100 -1.521 0.000 1.013 311 P CB -0.051 31.121 31.700 -0.880 0.000 1.961 312 L N 4.506 125.267 121.223 -0.771 0.000 2.255 312 L HA 0.354 4.694 4.340 -0.000 0.000 0.289 312 L C -1.705 175.144 176.870 -0.034 0.000 1.046 312 L CA -2.313 52.342 54.840 -0.309 0.000 0.816 312 L CB 1.200 43.144 42.059 -0.192 0.000 1.197 312 L HN 0.041 nan 8.230 nan 0.000 0.427 313 P HA -0.087 nan 4.420 nan 0.000 0.270 313 P C -0.537 176.893 177.300 0.217 0.000 1.223 313 P CA -0.260 62.965 63.100 0.208 0.000 0.785 313 P CB 0.558 32.332 31.700 0.123 0.000 0.923 314 F N 2.804 122.826 119.950 0.120 0.000 2.519 314 F HA 0.079 4.605 4.527 -0.000 0.000 0.375 314 F C 1.106 176.945 175.800 0.065 0.000 1.084 314 F CA -0.013 58.031 58.000 0.074 0.000 1.147 314 F CB 0.161 39.185 39.000 0.040 0.000 1.088 314 F HN 0.105 nan 8.300 nan 0.000 0.555 315 R N 5.266 125.603 120.500 -0.271 0.000 2.272 315 R HA 0.018 4.358 4.340 -0.000 0.000 0.334 315 R C 1.058 177.203 176.300 -0.258 0.000 1.117 315 R CA -0.149 55.840 56.100 -0.185 0.000 0.966 315 R CB 0.586 30.793 30.300 -0.155 0.000 1.049 315 R HN 0.704 nan 8.270 nan 0.000 0.477 316 E N 2.781 123.005 120.200 0.040 0.000 2.153 316 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 316 E C 1.475 178.159 176.600 0.140 0.000 0.988 316 E CA 1.414 57.943 56.400 0.216 0.000 0.811 316 E CB 0.330 30.192 29.700 0.270 0.000 0.746 316 E HN 0.573 nan 8.360 nan 0.000 0.466 317 E N -0.111 120.123 120.200 0.057 0.000 2.347 317 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 317 E C 1.813 178.422 176.600 0.014 0.000 1.008 317 E CA 0.945 57.366 56.400 0.034 0.000 0.852 317 E CB -0.017 29.695 29.700 0.020 0.000 0.783 317 E HN 0.268 nan 8.360 nan 0.000 0.505 318 V N 0.226 120.138 119.914 -0.004 0.000 2.685 318 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 318 V C 2.147 178.263 176.094 0.038 0.000 1.054 318 V CA 1.046 63.343 62.300 -0.005 0.000 1.076 318 V CB -0.838 30.960 31.823 -0.042 0.000 0.725 318 V HN 0.179 nan 8.190 nan 0.000 0.467 319 Y N 1.650 121.903 120.300 -0.079 0.000 2.263 319 Y HA -0.039 4.511 4.550 -0.000 0.000 0.292 319 Y C 2.424 178.358 175.900 0.057 0.000 1.130 319 Y CA 1.418 59.516 58.100 -0.003 0.000 1.179 319 Y CB -0.023 38.456 38.460 0.032 0.000 0.998 319 Y HN 0.018 nan 8.280 nan 0.000 0.532 320 R N 0.135 120.563 120.500 -0.120 0.000 2.310 320 R HA 0.077 4.417 4.340 -0.000 0.000 0.202 320 R C 0.856 177.091 176.300 -0.109 0.000 0.933 320 R CA 0.387 56.378 56.100 -0.182 0.000 1.054 320 R CB -0.185 30.094 30.300 -0.034 0.000 0.985 320 R HN 0.148 nan 8.270 nan 0.000 0.489 321 S N 1.093 116.755 115.700 -0.064 0.000 2.549 321 S HA 0.005 4.475 4.470 -0.000 0.000 0.286 321 S C 1.119 175.708 174.600 -0.018 0.000 1.314 321 S CA -0.231 57.954 58.200 -0.025 0.000 1.062 321 S CB 0.709 63.907 63.200 -0.004 0.000 0.865 321 S HN 0.367 nan 8.310 nan 0.000 0.498 322 S N 2.498 118.195 115.700 -0.004 0.000 2.557 322 S HA 0.270 4.740 4.470 -0.000 0.000 0.223 322 S C 0.804 175.417 174.600 0.022 0.000 0.969 322 S CA -0.174 58.033 58.200 0.012 0.000 0.927 322 S CB -0.232 62.967 63.200 -0.001 0.000 0.806 322 S HN 0.945 nan 8.310 nan 0.000 0.489 323 R N 3.354 123.867 120.500 0.021 0.000 2.421 323 R HA 0.479 4.819 4.340 -0.000 0.000 0.305 323 R C -2.529 173.800 176.300 0.050 0.000 1.039 323 R CA -1.448 54.663 56.100 0.018 0.000 1.003 323 R CB -1.476 28.832 30.300 0.013 0.000 0.959 323 R HN 0.465 nan 8.270 nan 0.000 0.427 324 P HA 0.144 nan 4.420 nan 0.000 0.268 324 P C -0.706 176.670 177.300 0.126 0.000 1.205 324 P CA -0.111 63.007 63.100 0.030 0.000 0.771 324 P CB 0.610 32.238 31.700 -0.121 0.000 0.858 325 L N 3.127 124.538 121.223 0.313 0.000 2.344 325 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 325 L C 1.141 178.032 176.870 0.035 0.000 1.035 325 L CA -0.941 53.964 54.840 0.107 0.000 0.807 325 L CB 1.098 43.150 42.059 -0.011 0.000 1.237 325 L HN 0.213 nan 8.230 nan 0.000 0.442 326 R N 1.415 121.880 120.500 -0.059 0.000 2.229 326 R HA 0.490 4.830 4.340 -0.000 0.000 0.328 326 R C -1.248 174.919 176.300 -0.222 0.000 1.009 326 R CA -0.565 55.474 56.100 -0.102 0.000 0.864 326 R CB 1.364 31.604 30.300 -0.101 0.000 1.085 326 R HN 0.271 nan 8.270 nan 0.000 0.453 327 V N 2.784 122.575 119.914 -0.205 0.000 2.350 327 V HA 0.329 4.449 4.120 -0.000 0.000 0.285 327 V C 0.708 176.679 176.094 -0.205 0.000 1.014 327 V CA -0.891 61.221 62.300 -0.313 0.000 0.831 327 V CB 1.619 33.275 31.823 -0.279 0.000 1.000 327 V HN 0.949 nan 8.190 nan 0.000 0.433 328 G N 4.168 112.746 108.800 -0.369 0.000 2.442 328 G HA2 0.426 4.386 3.960 -0.000 0.000 0.249 328 G HA3 0.426 4.386 3.960 -0.000 0.000 0.249 328 G C -0.904 173.995 174.900 -0.002 0.000 1.263 328 G CA 0.042 44.984 45.100 -0.262 0.000 0.846 328 G HN 0.979 nan 8.290 nan 0.000 0.555 329 Y N 1.118 121.427 120.300 0.015 0.000 2.504 329 Y HA 0.678 5.228 4.550 -0.000 0.000 0.344 329 Y C -1.339 174.677 175.900 0.194 0.000 1.023 329 Y CA -2.074 56.045 58.100 0.031 0.000 1.020 329 Y CB 1.314 39.781 38.460 0.013 0.000 1.282 329 Y HN 0.786 nan 8.280 nan 0.000 0.454 330 Y N 0.789 121.168 120.300 0.133 0.000 2.512 330 Y HA 0.659 5.209 4.550 -0.000 0.000 0.348 330 Y C 0.097 176.130 175.900 0.222 0.000 0.990 330 Y CA -1.223 56.920 58.100 0.073 0.000 1.033 330 Y CB 2.110 40.623 38.460 0.088 0.000 1.259 330 Y HN 0.708 nan 8.280 nan 0.000 0.461 331 E N 0.558 120.995 120.200 0.395 0.000 2.140 331 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 331 E C 0.016 176.846 176.600 0.385 0.000 0.973 331 E CA 1.124 57.724 56.400 0.334 0.000 0.829 331 E CB 0.517 30.380 29.700 0.271 0.000 0.781 331 E HN 0.702 nan 8.360 nan 0.000 0.466 332 T N -0.686 114.146 114.554 0.464 0.000 2.868 332 T HA 0.078 4.428 4.350 -0.000 0.000 0.306 332 T C -0.868 174.067 174.700 0.392 0.000 1.224 332 T CA -0.575 61.835 62.100 0.517 0.000 1.012 332 T CB 1.353 70.481 68.868 0.434 0.000 1.221 332 T HN 0.019 nan 8.240 nan 0.000 0.499 333 D N 1.659 122.237 120.400 0.298 0.000 2.349 333 D HA 0.076 4.716 4.640 -0.000 0.000 0.215 333 D C 0.470 176.691 176.300 -0.132 0.000 1.016 333 D CA 0.187 54.132 54.000 -0.091 0.000 0.870 333 D CB -0.813 39.842 40.800 -0.241 0.000 0.917 333 D HN 0.836 nan 8.370 nan 0.000 0.524 334 N N -2.065 116.550 118.700 -0.142 0.000 2.776 334 N HA -0.283 4.457 4.740 -0.000 0.000 0.249 334 N C -0.559 174.631 175.510 -0.534 0.000 1.111 334 N CA 0.897 53.595 53.050 -0.587 0.000 0.711 334 N CB -1.702 36.514 38.487 -0.452 0.000 1.065 334 N HN 0.398 nan 8.380 nan 0.000 0.556 335 Y N -0.877 119.275 120.300 -0.246 0.000 3.324 335 Y HA 0.218 4.768 4.550 -0.000 0.000 0.187 335 Y C 0.172 176.317 175.900 0.409 0.000 0.920 335 Y CA 0.465 58.641 58.100 0.126 0.000 1.710 335 Y CB 0.667 39.161 38.460 0.057 0.000 1.461 335 Y HN -0.019 nan 8.280 nan 0.000 0.360 336 T N 4.473 119.337 114.554 0.516 0.000 2.749 336 T HA 0.238 4.588 4.350 -0.000 0.000 0.295 336 T C -0.165 174.896 174.700 0.602 0.000 0.936 336 T CA -0.329 62.077 62.100 0.510 0.000 1.060 336 T CB 0.592 69.731 68.868 0.451 0.000 0.904 336 T HN 0.148 nan 8.240 nan 0.000 0.500 337 M N 5.205 125.065 119.600 0.434 0.000 2.217 337 M HA 0.202 4.682 4.480 -0.000 0.000 0.352 337 M C -2.260 174.300 176.300 0.434 0.000 1.376 337 M CA -2.043 53.361 55.300 0.173 0.000 1.107 337 M CB 0.592 32.909 32.600 -0.472 0.000 1.723 337 M HN 0.268 nan 8.290 nan 0.000 0.461 338 P HA 0.115 nan 4.420 nan 0.000 0.275 338 P C -0.637 176.854 177.300 0.319 0.000 1.228 338 P CA -0.374 62.917 63.100 0.319 0.000 0.786 338 P CB 0.371 32.208 31.700 0.229 0.000 0.927 339 S N 3.055 118.864 115.700 0.182 0.000 2.569 339 S HA 0.067 4.537 4.470 -0.000 0.000 0.274 339 S C -1.572 173.083 174.600 0.091 0.000 1.353 339 S CA -0.494 57.753 58.200 0.078 0.000 1.023 339 S CB -0.612 62.565 63.200 -0.039 0.000 0.876 339 S HN 0.296 nan 8.310 nan 0.000 0.540 340 P HA -0.080 nan 4.420 nan 0.000 0.216 340 P C 1.673 178.987 177.300 0.024 0.000 1.150 340 P CA 1.902 65.033 63.100 0.051 0.000 0.837 340 P CB -0.329 31.395 31.700 0.040 0.000 0.786 341 A N -0.875 121.946 122.820 0.002 0.000 1.873 341 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 341 A C 2.300 179.876 177.584 -0.012 0.000 1.193 341 A CA 2.323 54.350 52.037 -0.016 0.000 0.629 341 A CB -1.577 17.400 19.000 -0.039 0.000 0.826 341 A HN 0.108 nan 8.150 nan 0.000 0.447 342 M N -1.658 117.940 119.600 -0.004 0.000 2.080 342 M HA -0.193 4.286 4.480 -0.000 0.000 0.260 342 M C 2.401 178.704 176.300 0.005 0.000 1.068 342 M CA 2.235 57.528 55.300 -0.012 0.000 1.109 342 M CB -0.206 32.387 32.600 -0.012 0.000 1.342 342 M HN 0.514 nan 8.290 nan 0.000 0.405 343 R N -0.043 120.480 120.500 0.039 0.000 2.081 343 R HA -0.124 4.215 4.340 -0.000 0.000 0.235 343 R C 2.207 178.530 176.300 0.039 0.000 1.131 343 R CA 1.626 57.762 56.100 0.060 0.000 0.960 343 R CB -0.259 30.090 30.300 0.081 0.000 0.856 343 R HN 0.230 nan 8.270 nan 0.000 0.436 344 R N -0.222 120.292 120.500 0.023 0.000 2.066 344 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 344 R C 2.156 178.454 176.300 -0.004 0.000 1.131 344 R CA 1.430 57.536 56.100 0.010 0.000 0.955 344 R CB -0.423 29.880 30.300 0.005 0.000 0.851 344 R HN 0.343 nan 8.270 nan 0.000 0.432 345 A N 1.626 124.437 122.820 -0.014 0.000 1.958 345 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 345 A C 2.100 179.665 177.584 -0.031 0.000 1.178 345 A CA 1.316 53.335 52.037 -0.029 0.000 0.642 345 A CB -0.655 18.322 19.000 -0.040 0.000 0.816 345 A HN 0.397 nan 8.150 nan 0.000 0.453 346 L N -0.530 120.684 121.223 -0.015 0.000 2.023 346 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 346 L C 2.336 179.197 176.870 -0.015 0.000 1.073 346 L CA 1.893 56.728 54.840 -0.007 0.000 0.745 346 L CB -0.730 41.348 42.059 0.031 0.000 0.900 346 L HN 0.437 nan 8.230 nan 0.000 0.435 347 I N -0.067 120.503 120.570 -0.001 0.000 2.493 347 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 347 I C 2.387 178.478 176.117 -0.044 0.000 1.160 347 I CA 0.765 62.052 61.300 -0.021 0.000 1.445 347 I CB 0.033 38.043 38.000 0.017 0.000 1.086 347 I HN 0.374 nan 8.210 nan 0.000 0.433 348 E N -0.123 120.057 120.200 -0.032 0.000 2.028 348 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 348 E C 2.128 178.700 176.600 -0.046 0.000 0.988 348 E CA 1.726 58.106 56.400 -0.035 0.000 0.799 348 E CB -0.159 29.525 29.700 -0.027 0.000 0.755 348 E HN 0.275 nan 8.360 nan 0.000 0.447 349 T N 0.610 115.132 114.554 -0.053 0.000 2.977 349 T HA -0.135 4.215 4.350 -0.000 0.000 0.271 349 T C 1.727 176.387 174.700 -0.068 0.000 1.105 349 T CA 1.057 63.119 62.100 -0.064 0.000 1.116 349 T CB -0.045 68.774 68.868 -0.081 0.000 0.878 349 T HN -0.005 nan 8.240 nan 0.000 0.509 350 K N -0.011 120.330 120.400 -0.098 0.000 2.057 350 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 350 K C 2.389 178.909 176.600 -0.133 0.000 1.050 350 K CA 1.288 57.470 56.287 -0.174 0.000 0.935 350 K CB -0.077 32.230 32.500 -0.322 0.000 0.715 350 K HN 0.391 nan 8.250 nan 0.000 0.439 351 Q N -0.064 119.681 119.800 -0.092 0.000 2.046 351 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 351 Q C 2.108 178.092 176.000 -0.026 0.000 0.975 351 Q CA 1.360 57.128 55.803 -0.057 0.000 0.836 351 Q CB 0.139 28.852 28.738 -0.042 0.000 0.896 351 Q HN 0.145 nan 8.270 nan 0.000 0.428 352 R N 0.070 120.559 120.500 -0.018 0.000 2.148 352 R HA -0.050 4.290 4.340 -0.000 0.000 0.227 352 R C 2.166 178.492 176.300 0.043 0.000 1.103 352 R CA 0.769 56.872 56.100 0.004 0.000 0.983 352 R CB -0.295 30.001 30.300 -0.007 0.000 0.874 352 R HN 0.338 nan 8.270 nan 0.000 0.451 353 L N 0.304 121.555 121.223 0.047 0.000 2.141 353 L HA -0.114 4.225 4.340 -0.000 0.000 0.209 353 L C 2.168 179.152 176.870 0.189 0.000 1.094 353 L CA 1.195 56.120 54.840 0.142 0.000 0.763 353 L CB -0.236 41.868 42.059 0.076 0.000 0.908 353 L HN 0.177 nan 8.230 nan 0.000 0.437 354 E N -0.157 120.081 120.200 0.065 0.000 2.208 354 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 354 E C 2.085 178.698 176.600 0.021 0.000 0.988 354 E CA 0.809 57.229 56.400 0.034 0.000 0.828 354 E CB 0.064 29.757 29.700 -0.011 0.000 0.763 354 E HN 0.447 nan 8.360 nan 0.000 0.478 355 A N 0.249 123.082 122.820 0.022 0.000 2.169 355 A HA 0.183 4.503 4.320 -0.000 0.000 0.212 355 A C 1.946 179.532 177.584 0.004 0.000 1.153 355 A CA 0.942 52.984 52.037 0.008 0.000 0.756 355 A CB 0.063 19.066 19.000 0.006 0.000 0.813 355 A HN 0.241 nan 8.150 nan 0.000 0.471 356 A N -1.943 120.893 122.820 0.026 0.000 2.267 356 A HA 0.463 4.783 4.320 -0.000 0.000 0.213 356 A C 1.536 178.995 177.584 -0.209 0.000 1.192 356 A CA 1.019 53.043 52.037 -0.021 0.000 0.851 356 A CB -0.357 18.711 19.000 0.114 0.000 0.881 356 A HN 1.686 nan 8.150 nan 0.000 0.494 357 G N -0.725 107.967 108.800 -0.180 0.000 2.138 357 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.193 357 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.193 357 G C -0.192 174.535 174.900 -0.288 0.000 0.998 357 G CA 0.129 45.099 45.100 -0.215 0.000 0.668 357 G HN 0.756 nan 8.290 nan 0.000 0.516 358 H N 0.356 119.426 119.070 0.001 0.000 2.481 358 H HA 0.661 5.217 4.556 -0.000 0.000 0.339 358 H C 0.704 176.023 175.328 -0.014 0.000 1.131 358 H CA 0.390 56.434 56.048 -0.006 0.000 1.301 358 H CB 1.495 31.265 29.762 0.012 0.000 1.476 358 H HN 0.265 nan 8.280 nan 0.000 0.529 359 T N 2.034 116.644 114.554 0.094 0.000 2.867 359 T HA 0.359 4.708 4.350 -0.000 0.000 0.282 359 T C -0.711 174.015 174.700 0.044 0.000 1.000 359 T CA -0.946 61.183 62.100 0.048 0.000 1.042 359 T CB 0.408 69.291 68.868 0.025 0.000 0.973 359 T HN 0.281 nan 8.240 nan 0.000 0.465 360 L N 5.371 126.634 121.223 0.065 0.000 2.353 360 L HA 0.485 4.825 4.340 -0.000 0.000 0.270 360 L C -0.657 176.401 176.870 0.313 0.000 1.003 360 L CA -0.517 54.399 54.840 0.127 0.000 0.862 360 L CB 0.847 42.872 42.059 -0.057 0.000 1.221 360 L HN 0.757 nan 8.230 nan 0.000 0.430 361 I N 5.363 126.075 120.570 0.237 0.000 2.321 361 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 361 I C -1.993 174.151 176.117 0.045 0.000 0.998 361 I CA -1.895 59.492 61.300 0.146 0.000 1.227 361 I CB 1.213 39.234 38.000 0.035 0.000 1.368 361 I HN 0.317 nan 8.210 nan 0.000 0.466 362 P HA 0.012 nan 4.420 nan 0.000 0.257 362 P C -0.975 176.291 177.300 -0.057 0.000 1.189 362 P CA 0.464 63.350 63.100 -0.357 0.000 0.780 362 P CB -0.065 31.492 31.700 -0.239 0.000 0.772 363 F N 5.296 125.137 119.950 -0.182 0.000 2.574 363 F HA 0.588 5.114 4.527 -0.000 0.000 0.313 363 F C -1.764 174.062 175.800 0.044 0.000 1.130 363 F CA -1.138 56.827 58.000 -0.058 0.000 0.936 363 F CB 1.423 40.382 39.000 -0.068 0.000 1.219 363 F HN 0.048 nan 8.300 nan 0.000 0.445 364 L N 8.268 129.200 121.223 -0.485 0.000 2.409 364 L HA 0.694 5.034 4.340 -0.000 0.000 0.272 364 L C -2.590 173.857 176.870 -0.704 0.000 0.980 364 L CA -2.148 52.406 54.840 -0.476 0.000 0.826 364 L CB 1.945 43.772 42.059 -0.387 0.000 1.268 364 L HN 0.364 nan 8.230 nan 0.000 0.407 365 P HA 0.128 nan 4.420 nan 0.000 0.264 365 P C -1.189 175.999 177.300 -0.187 0.000 1.193 365 P CA -0.039 62.920 63.100 -0.236 0.000 0.763 365 P CB 0.101 31.811 31.700 0.017 0.000 0.810 366 N N 2.045 120.663 118.700 -0.136 0.000 2.381 366 N HA -0.065 4.675 4.740 -0.000 0.000 0.241 366 N C -0.172 175.411 175.510 0.122 0.000 1.279 366 N CA -0.363 52.663 53.050 -0.040 0.000 0.896 366 N CB -0.559 37.911 38.487 -0.027 0.000 1.118 366 N HN 0.246 nan 8.380 nan 0.000 0.438 367 N N -0.765 117.968 118.700 0.054 0.000 2.701 367 N HA -0.234 4.505 4.740 -0.000 0.000 0.250 367 N C 0.186 175.690 175.510 -0.009 0.000 1.046 367 N CA 0.775 53.859 53.050 0.056 0.000 0.733 367 N CB -1.153 37.388 38.487 0.090 0.000 0.973 367 N HN 0.562 nan 8.380 nan 0.000 0.541 368 I N 0.138 120.672 120.570 -0.060 0.000 2.113 368 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 368 I C -0.462 175.517 176.117 -0.230 0.000 1.057 368 I CA 1.849 63.043 61.300 -0.178 0.000 1.314 368 I CB -0.848 37.021 38.000 -0.219 0.000 1.022 368 I HN 0.242 nan 8.210 nan 0.000 0.408 369 P HA -0.251 nan 4.420 nan 0.000 0.216 369 P C 1.614 178.882 177.300 -0.053 0.000 1.157 369 P CA 1.691 64.782 63.100 -0.014 0.000 0.880 369 P CB -0.194 31.582 31.700 0.126 0.000 0.791 370 Y N 0.363 120.559 120.300 -0.172 0.000 2.242 370 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 370 Y C 2.308 178.017 175.900 -0.319 0.000 1.137 370 Y CA 1.592 59.572 58.100 -0.200 0.000 1.181 370 Y CB -0.902 37.450 38.460 -0.181 0.000 0.989 370 Y HN -0.123 nan 8.280 nan 0.000 0.527 371 A N -0.121 122.394 122.820 -0.508 0.000 1.968 371 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 371 A C 2.136 179.412 177.584 -0.513 0.000 1.169 371 A CA 1.482 53.079 52.037 -0.733 0.000 0.638 371 A CB -0.822 17.598 19.000 -0.966 0.000 0.812 371 A HN 0.528 nan 8.150 nan 0.000 0.446 372 L N -1.165 119.804 121.223 -0.424 0.000 2.102 372 L HA -0.060 4.280 4.340 -0.000 0.000 0.202 372 L C 2.522 179.243 176.870 -0.247 0.000 1.076 372 L CA 1.309 55.932 54.840 -0.361 0.000 0.761 372 L CB -0.502 41.262 42.059 -0.492 0.000 0.921 372 L HN 0.360 nan 8.230 nan 0.000 0.444 373 E N -0.316 119.764 120.200 -0.201 0.000 2.051 373 E HA -0.177 4.173 4.350 -0.000 0.000 0.189 373 E C 2.182 178.712 176.600 -0.117 0.000 0.979 373 E CA 1.418 57.775 56.400 -0.072 0.000 0.803 373 E CB 0.018 29.722 29.700 0.007 0.000 0.761 373 E HN 0.338 nan 8.360 nan 0.000 0.451 374 V N 0.154 119.911 119.914 -0.261 0.000 2.492 374 V HA -0.049 4.071 4.120 -0.000 0.000 0.241 374 V C 1.834 177.730 176.094 -0.331 0.000 1.041 374 V CA 0.910 63.031 62.300 -0.299 0.000 1.057 374 V CB -0.188 31.436 31.823 -0.331 0.000 0.711 374 V HN 0.166 nan 8.190 nan 0.000 0.468 375 L N 0.584 121.527 121.223 -0.467 0.000 2.068 375 L HA 0.025 4.365 4.340 -0.000 0.000 0.204 375 L C 2.771 179.485 176.870 -0.260 0.000 1.076 375 L CA 1.614 56.230 54.840 -0.372 0.000 0.753 375 L CB -0.888 40.893 42.059 -0.463 0.000 0.910 375 L HN 0.337 nan 8.230 nan 0.000 0.439 376 S N 0.581 116.118 115.700 -0.272 0.000 2.335 376 S HA -0.060 4.410 4.470 -0.000 0.000 0.217 376 S C 2.210 176.693 174.600 -0.195 0.000 1.032 376 S CA 1.077 59.143 58.200 -0.224 0.000 0.985 376 S CB -0.405 62.653 63.200 -0.236 0.000 0.896 376 S HN 0.420 nan 8.310 nan 0.000 0.445 377 A N 1.734 124.466 122.820 -0.146 0.000 1.872 377 A HA 0.185 4.505 4.320 -0.000 0.000 0.214 377 A C 2.350 179.899 177.584 -0.060 0.000 1.187 377 A CA 1.585 53.578 52.037 -0.074 0.000 0.614 377 A CB -1.523 17.538 19.000 0.102 0.000 0.826 377 A HN 0.509 nan 8.150 nan 0.000 0.442 378 G N -0.494 108.277 108.800 -0.050 0.000 2.418 378 G HA2 0.006 3.966 3.960 -0.000 0.000 0.217 378 G HA3 0.006 3.966 3.960 -0.000 0.000 0.217 378 G C 1.501 176.378 174.900 -0.038 0.000 1.158 378 G CA 1.262 46.348 45.100 -0.025 0.000 0.771 378 G HN 0.714 nan 8.290 nan 0.000 0.545 379 G N 0.478 109.223 108.800 -0.092 0.000 2.422 379 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.218 379 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.218 379 G C 1.703 176.539 174.900 -0.108 0.000 1.140 379 G CA 0.404 45.454 45.100 -0.084 0.000 0.775 379 G HN 0.417 nan 8.290 nan 0.000 0.545 380 L N -0.972 120.121 121.223 -0.217 0.000 2.313 380 L HA 0.218 4.558 4.340 -0.000 0.000 0.214 380 L C 0.939 177.600 176.870 -0.349 0.000 1.119 380 L CA 0.491 55.100 54.840 -0.384 0.000 0.809 380 L CB 0.049 41.704 42.059 -0.673 0.000 0.933 380 L HN 0.122 nan 8.230 nan 0.000 0.449 381 F N -1.321 118.592 119.950 -0.062 0.000 2.850 381 F HA 0.195 4.722 4.527 -0.000 0.000 0.329 381 F C 1.829 177.602 175.800 -0.044 0.000 1.182 381 F CA -0.659 57.300 58.000 -0.068 0.000 1.270 381 F CB -0.373 38.565 39.000 -0.104 0.000 0.979 381 F HN -0.131 nan 8.300 nan 0.000 0.506 382 S N -0.288 115.490 115.700 0.130 0.000 2.399 382 S HA -0.198 4.271 4.470 -0.000 0.000 0.231 382 S C 1.673 176.314 174.600 0.068 0.000 1.022 382 S CA 1.626 59.871 58.200 0.076 0.000 0.983 382 S CB -0.251 62.980 63.200 0.052 0.000 0.803 382 S HN 0.567 nan 8.310 nan 0.000 0.480 383 D N 0.707 121.159 120.400 0.086 0.000 2.349 383 D HA 0.152 4.792 4.640 -0.000 0.000 0.224 383 D C 1.330 177.659 176.300 0.048 0.000 1.029 383 D CA 0.756 54.796 54.000 0.066 0.000 0.879 383 D CB -0.598 40.252 40.800 0.083 0.000 0.906 383 D HN 0.473 nan 8.370 nan 0.000 0.528 384 G N -0.121 108.703 108.800 0.040 0.000 2.176 384 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 384 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 384 G C 1.124 175.958 174.900 -0.110 0.000 0.979 384 G CA 0.347 45.424 45.100 -0.037 0.000 0.641 384 G HN 1.399 nan 8.290 nan 0.000 0.530 385 G N -1.988 106.809 108.800 -0.004 0.000 2.134 385 G HA2 0.201 4.160 3.960 -0.000 0.000 0.209 385 G HA3 0.201 4.160 3.960 -0.000 0.000 0.209 385 G C 1.141 176.114 174.900 0.123 0.000 0.993 385 G CA 1.448 46.563 45.100 0.025 0.000 0.669 385 G HN 1.909 nan 8.290 nan 0.000 0.519 386 R N 0.518 121.073 120.500 0.093 0.000 2.075 386 R HA 0.206 4.546 4.340 -0.000 0.000 0.232 386 R C 2.772 179.145 176.300 0.121 0.000 1.126 386 R CA 2.615 58.767 56.100 0.087 0.000 0.963 386 R CB -1.355 28.979 30.300 0.057 0.000 0.858 386 R HN 0.915 nan 8.270 nan 0.000 0.435 387 S N 0.093 115.881 115.700 0.147 0.000 2.382 387 S HA -0.083 4.387 4.470 -0.000 0.000 0.228 387 S C 1.794 176.507 174.600 0.188 0.000 1.027 387 S CA 1.175 59.464 58.200 0.148 0.000 0.991 387 S CB -0.429 62.859 63.200 0.147 0.000 0.823 387 S HN 0.573 nan 8.310 nan 0.000 0.469 388 F N 1.809 121.827 119.950 0.113 0.000 2.234 388 F HA 0.111 4.638 4.527 -0.000 0.000 0.299 388 F C 1.683 177.631 175.800 0.246 0.000 1.087 388 F CA 0.953 59.055 58.000 0.170 0.000 1.340 388 F CB -0.157 38.975 39.000 0.220 0.000 1.031 388 F HN 0.090 nan 8.300 nan 0.000 0.500 389 L N -0.637 120.705 121.223 0.198 0.000 2.375 389 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 389 L C 2.229 179.169 176.870 0.117 0.000 1.108 389 L CA 0.345 55.284 54.840 0.166 0.000 0.830 389 L CB -0.451 41.674 42.059 0.109 0.000 0.959 389 L HN 0.068 nan 8.230 nan 0.000 0.457 390 Q N 0.839 120.675 119.800 0.060 0.000 2.152 390 Q HA -0.224 4.115 4.340 -0.000 0.000 0.206 390 Q C 1.631 177.609 176.000 -0.037 0.000 0.985 390 Q CA 1.869 57.684 55.803 0.019 0.000 0.863 390 Q CB -0.238 28.514 28.738 0.023 0.000 0.904 390 Q HN 0.512 nan 8.270 nan 0.000 0.422 391 N N -1.506 117.120 118.700 -0.123 0.000 2.512 391 N HA -0.039 4.701 4.740 -0.000 0.000 0.183 391 N C 0.129 175.405 175.510 -0.390 0.000 1.073 391 N CA 0.583 53.458 53.050 -0.290 0.000 0.911 391 N CB 0.052 38.263 38.487 -0.461 0.000 0.964 391 N HN 0.182 nan 8.380 nan 0.000 0.447 392 F N 0.598 120.454 119.950 -0.157 0.000 2.641 392 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 392 F C 0.640 176.381 175.800 -0.098 0.000 1.098 392 F CA -0.455 57.469 58.000 -0.127 0.000 1.318 392 F CB 0.185 39.105 39.000 -0.134 0.000 1.035 392 F HN -0.232 nan 8.300 nan 0.000 0.551 393 K N 0.349 120.775 120.400 0.044 0.000 2.378 393 K HA 0.354 4.674 4.320 -0.000 0.000 0.288 393 K C 1.221 177.797 176.600 -0.040 0.000 1.057 393 K CA 0.991 57.279 56.287 0.000 0.000 0.971 393 K CB 0.100 32.594 32.500 -0.010 0.000 0.975 393 K HN 0.365 nan 8.250 nan 0.000 0.475 394 G N 2.888 111.650 108.800 -0.063 0.000 2.253 394 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.251 394 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.251 394 G C 0.062 174.840 174.900 -0.203 0.000 0.998 394 G CA 0.236 45.263 45.100 -0.122 0.000 0.621 394 G HN 0.660 nan 8.290 nan 0.000 0.524 395 D N -0.103 120.219 120.400 -0.130 0.000 2.312 395 D HA 0.562 5.202 4.640 -0.000 0.000 0.248 395 D C 0.524 176.734 176.300 -0.149 0.000 1.086 395 D CA -0.614 53.310 54.000 -0.127 0.000 0.948 395 D CB 0.322 41.118 40.800 -0.006 0.000 1.162 395 D HN 0.051 nan 8.370 nan 0.000 0.446 396 F N 0.517 120.508 119.950 0.069 0.000 2.471 396 F HA 0.110 4.637 4.527 -0.000 0.000 0.353 396 F C 0.863 176.745 175.800 0.137 0.000 1.113 396 F CA -0.673 57.372 58.000 0.074 0.000 1.262 396 F CB 0.789 39.815 39.000 0.043 0.000 1.146 396 F HN -0.036 nan 8.300 nan 0.000 0.578 397 V N 1.325 121.414 119.914 0.292 0.000 2.498 397 V HA 0.257 4.377 4.120 -0.000 0.000 0.279 397 V C -0.065 176.138 176.094 0.181 0.000 1.048 397 V CA -0.831 61.594 62.300 0.208 0.000 0.967 397 V CB 1.224 33.065 31.823 0.030 0.000 0.988 397 V HN 0.758 nan 8.190 nan 0.000 0.473 398 D N 6.622 127.126 120.400 0.174 0.000 2.345 398 D HA 0.273 4.913 4.640 -0.000 0.000 0.247 398 D C -1.472 174.872 176.300 0.074 0.000 1.108 398 D CA -1.472 52.595 54.000 0.113 0.000 0.894 398 D CB 2.294 43.165 40.800 0.118 0.000 1.203 398 D HN 0.535 nan 8.370 nan 0.000 0.430 399 P HA -0.103 nan 4.420 nan 0.000 0.228 399 P C 1.590 178.898 177.300 0.013 0.000 1.151 399 P CA 0.618 63.732 63.100 0.023 0.000 0.770 399 P CB -0.245 31.460 31.700 0.008 0.000 0.786 400 C N -2.728 116.582 119.300 0.016 0.000 2.481 400 C HA 0.143 4.603 4.460 -0.000 0.000 0.275 400 C C 2.234 177.225 174.990 0.001 0.000 1.419 400 C CA -0.166 58.846 59.018 -0.009 0.000 1.773 400 C CB -2.054 25.680 27.740 -0.010 0.000 1.862 400 C HN 0.007 nan 8.230 nan 0.000 0.530 401 L N 1.804 123.054 121.223 0.046 0.000 2.492 401 L HA 0.305 4.645 4.340 -0.000 0.000 0.223 401 L C 2.182 179.081 176.870 0.049 0.000 1.132 401 L CA 1.457 56.338 54.840 0.069 0.000 0.850 401 L CB -1.605 40.515 42.059 0.101 0.000 0.966 401 L HN 0.721 nan 8.230 nan 0.000 0.454 402 G N 0.077 108.895 108.800 0.031 0.000 2.602 402 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.310 402 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.310 402 G C 0.640 175.562 174.900 0.035 0.000 1.183 402 G CA 0.563 45.682 45.100 0.032 0.000 0.979 402 G HN 0.282 nan 8.290 nan 0.000 0.545 403 D N 0.300 120.734 120.400 0.057 0.000 2.431 403 D HA 0.339 4.979 4.640 -0.000 0.000 0.213 403 D C 2.051 178.383 176.300 0.053 0.000 1.130 403 D CA 0.121 54.151 54.000 0.050 0.000 0.834 403 D CB 0.642 41.481 40.800 0.064 0.000 0.985 403 D HN 0.300 nan 8.370 nan 0.000 0.504 404 L N 0.575 121.841 121.223 0.071 0.000 2.093 404 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 404 L C 1.563 178.417 176.870 -0.027 0.000 1.085 404 L CA 1.463 56.351 54.840 0.080 0.000 0.755 404 L CB -0.159 41.989 42.059 0.148 0.000 0.904 404 L HN -0.056 nan 8.230 nan 0.000 0.435 405 I N -0.679 119.848 120.570 -0.072 0.000 2.252 405 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 405 I C 2.491 178.535 176.117 -0.123 0.000 1.102 405 I CA 1.275 62.476 61.300 -0.164 0.000 1.385 405 I CB -1.382 36.418 38.000 -0.334 0.000 1.064 405 I HN 0.355 nan 8.210 nan 0.000 0.414 406 L N 1.146 122.319 121.223 -0.082 0.000 2.017 406 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 406 L C 2.406 179.238 176.870 -0.064 0.000 1.073 406 L CA 1.825 56.628 54.840 -0.062 0.000 0.745 406 L CB -0.471 41.569 42.059 -0.032 0.000 0.894 406 L HN 0.079 nan 8.230 nan 0.000 0.432 407 I N -0.964 119.571 120.570 -0.058 0.000 2.286 407 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 407 I C 2.339 178.361 176.117 -0.158 0.000 1.115 407 I CA 1.187 62.437 61.300 -0.083 0.000 1.392 407 I CB -0.350 37.609 38.000 -0.069 0.000 1.065 407 I HN 0.263 nan 8.210 nan 0.000 0.418 408 L N 0.076 121.182 121.223 -0.195 0.000 2.141 408 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 408 L C 2.669 179.449 176.870 -0.152 0.000 1.094 408 L CA 1.150 55.846 54.840 -0.239 0.000 0.763 408 L CB -0.400 41.508 42.059 -0.252 0.000 0.908 408 L HN 0.170 nan 8.230 nan 0.000 0.437 409 R N -0.225 120.206 120.500 -0.114 0.000 2.193 409 R HA 0.047 4.386 4.340 -0.000 0.000 0.213 409 R C 0.604 176.849 176.300 -0.090 0.000 1.055 409 R CA 0.108 56.156 56.100 -0.087 0.000 0.995 409 R CB -0.177 30.076 30.300 -0.078 0.000 0.893 409 R HN 0.262 nan 8.270 nan 0.000 0.459 410 L N 3.629 124.792 121.223 -0.101 0.000 2.559 410 L HA 0.019 4.359 4.340 -0.000 0.000 0.282 410 L C -1.786 175.012 176.870 -0.119 0.000 1.232 410 L CA -1.362 53.410 54.840 -0.114 0.000 0.885 410 L CB -0.164 41.883 42.059 -0.020 0.000 1.131 410 L HN -0.074 nan 8.230 nan 0.000 0.498 411 P HA 0.031 nan 4.420 nan 0.000 0.269 411 P C 0.198 177.403 177.300 -0.159 0.000 1.215 411 P CA -0.197 62.833 63.100 -0.118 0.000 0.780 411 P CB 0.787 32.438 31.700 -0.080 0.000 0.898 412 S N 1.018 116.711 115.700 -0.012 0.000 2.399 412 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 412 S C 1.622 176.245 174.600 0.039 0.000 1.022 412 S CA 0.989 59.196 58.200 0.011 0.000 0.983 412 S CB -0.614 62.626 63.200 0.067 0.000 0.803 412 S HN 0.712 nan 8.310 nan 0.000 0.480 413 W N 0.190 121.526 121.300 0.060 0.000 2.402 413 W HA 0.005 4.664 4.660 -0.000 0.000 0.286 413 W C 1.632 178.219 176.519 0.114 0.000 1.221 413 W CA 0.190 57.576 57.345 0.067 0.000 1.257 413 W CB -1.036 28.462 29.460 0.064 0.000 1.120 413 W HN 0.269 nan 8.180 nan 0.000 0.551 414 F N 2.469 121.849 119.950 -0.950 0.000 2.187 414 F HA 0.034 4.561 4.527 -0.000 0.000 0.295 414 F C 2.506 178.068 175.800 -0.396 0.000 1.091 414 F CA 1.826 59.300 58.000 -0.878 0.000 1.308 414 F CB -0.411 37.933 39.000 -1.094 0.000 1.030 414 F HN -0.299 nan 8.300 nan 0.000 0.487 415 K N 0.143 120.408 120.400 -0.225 0.000 2.097 415 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 415 K C 2.447 178.937 176.600 -0.183 0.000 1.049 415 K CA 1.885 58.046 56.287 -0.209 0.000 0.933 415 K CB -0.309 32.101 32.500 -0.150 0.000 0.717 415 K HN 0.212 nan 8.250 nan 0.000 0.442 416 R N 0.495 120.926 120.500 -0.114 0.000 2.148 416 R HA 0.014 4.354 4.340 -0.000 0.000 0.223 416 R C 2.052 178.302 176.300 -0.084 0.000 1.088 416 R CA 1.435 57.497 56.100 -0.063 0.000 0.985 416 R CB -1.136 29.171 30.300 0.010 0.000 0.880 416 R HN 0.181 nan 8.270 nan 0.000 0.451 417 L N -0.011 121.126 121.223 -0.143 0.000 2.095 417 L HA 0.132 4.472 4.340 -0.000 0.000 0.204 417 L C 2.447 179.166 176.870 -0.252 0.000 1.080 417 L CA 1.147 55.894 54.840 -0.156 0.000 0.759 417 L CB -0.051 41.933 42.059 -0.126 0.000 0.914 417 L HN 0.357 nan 8.230 nan 0.000 0.439 418 L N -1.853 119.123 121.223 -0.411 0.000 2.056 418 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 418 L C 2.627 179.387 176.870 -0.182 0.000 1.078 418 L CA 1.138 55.768 54.840 -0.349 0.000 0.749 418 L CB -0.816 40.974 42.059 -0.448 0.000 0.901 418 L HN 0.214 nan 8.230 nan 0.000 0.433 419 S N 0.510 116.118 115.700 -0.153 0.000 2.404 419 S HA -0.196 4.274 4.470 -0.000 0.000 0.230 419 S C 1.792 176.356 174.600 -0.060 0.000 1.046 419 S CA 2.087 60.235 58.200 -0.087 0.000 1.135 419 S CB -0.312 62.845 63.200 -0.073 0.000 1.056 419 S HN 0.433 nan 8.310 nan 0.000 0.426 420 L N -0.120 121.069 121.223 -0.056 0.000 2.418 420 L HA 0.216 4.556 4.340 -0.000 0.000 0.218 420 L C 2.186 179.031 176.870 -0.042 0.000 1.125 420 L CA 1.145 55.962 54.840 -0.039 0.000 0.835 420 L CB -1.360 40.684 42.059 -0.025 0.000 0.953 420 L HN 0.295 nan 8.230 nan 0.000 0.454 421 L N -0.121 121.068 121.223 -0.056 0.000 2.156 421 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 421 L C 2.344 179.193 176.870 -0.035 0.000 1.095 421 L CA 0.875 55.685 54.840 -0.050 0.000 0.770 421 L CB -0.029 41.986 42.059 -0.072 0.000 0.914 421 L HN 0.207 nan 8.230 nan 0.000 0.439 422 L N -0.461 120.746 121.223 -0.027 0.000 2.354 422 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 422 L C 2.817 179.686 176.870 -0.001 0.000 1.091 422 L CA 1.610 56.468 54.840 0.030 0.000 0.828 422 L CB -1.195 40.900 42.059 0.060 0.000 0.973 422 L HN 0.148 nan 8.230 nan 0.000 0.461 423 K N 0.894 121.278 120.400 -0.027 0.000 2.127 423 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 423 K C -0.009 176.556 176.600 -0.058 0.000 1.047 423 K CA 1.874 58.139 56.287 -0.037 0.000 0.927 423 K CB -2.541 29.942 32.500 -0.029 0.000 0.716 423 K HN 0.420 nan 8.250 nan 0.000 0.450 424 P HA -0.186 nan 4.420 nan 0.000 0.211 424 P C 1.202 178.395 177.300 -0.179 0.000 1.181 424 P CA 1.166 64.203 63.100 -0.106 0.000 0.929 424 P CB -0.066 31.572 31.700 -0.104 0.000 0.789 425 L N -2.688 118.354 121.223 -0.302 0.000 2.162 425 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 425 L C 1.488 177.928 176.870 -0.717 0.000 1.086 425 L CA 1.278 55.731 54.840 -0.645 0.000 0.778 425 L CB -1.437 39.982 42.059 -1.068 0.000 0.928 425 L HN -0.063 nan 8.230 nan 0.000 0.446 426 F N 0.834 120.728 119.950 -0.094 0.000 2.584 426 F HA 0.301 4.828 4.527 -0.000 0.000 0.328 426 F C -1.420 174.263 175.800 -0.195 0.000 1.407 426 F CA -1.327 56.583 58.000 -0.151 0.000 1.145 426 F CB 0.739 39.631 39.000 -0.179 0.000 1.440 426 F HN -0.101 nan 8.300 nan 0.000 0.580 427 P HA -0.167 nan 4.420 nan 0.000 0.218 427 P C 1.610 178.811 177.300 -0.164 0.000 1.149 427 P CA 1.286 64.327 63.100 -0.099 0.000 0.817 427 P CB 0.285 31.930 31.700 -0.091 0.000 0.785 428 R N -0.790 119.505 120.500 -0.342 0.000 2.073 428 R HA -0.074 4.265 4.340 -0.000 0.000 0.234 428 R C 2.249 178.408 176.300 -0.234 0.000 1.134 428 R CA 1.170 57.053 56.100 -0.362 0.000 0.952 428 R CB -0.897 29.020 30.300 -0.639 0.000 0.850 428 R HN 0.180 nan 8.270 nan 0.000 0.433 429 L N 0.110 121.112 121.223 -0.369 0.000 2.156 429 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 429 L C 2.384 179.240 176.870 -0.023 0.000 1.095 429 L CA 1.518 56.176 54.840 -0.303 0.000 0.770 429 L CB -0.912 40.901 42.059 -0.410 0.000 0.914 429 L HN 0.136 nan 8.230 nan 0.000 0.439 430 A N -0.521 122.279 122.820 -0.033 0.000 1.855 430 A HA -0.113 4.206 4.320 -0.000 0.000 0.215 430 A C 2.490 180.089 177.584 0.025 0.000 1.191 430 A CA 1.687 53.718 52.037 -0.009 0.000 0.613 430 A CB -0.897 18.092 19.000 -0.019 0.000 0.829 430 A HN 0.352 nan 8.150 nan 0.000 0.442 431 A N -1.390 121.459 122.820 0.049 0.000 1.972 431 A HA -0.062 4.257 4.320 -0.000 0.000 0.219 431 A C 2.086 179.777 177.584 0.178 0.000 1.169 431 A CA 1.401 53.490 52.037 0.086 0.000 0.635 431 A CB -0.732 18.316 19.000 0.080 0.000 0.810 431 A HN 0.654 nan 8.150 nan 0.000 0.446 432 F N 0.320 120.312 119.950 0.070 0.000 2.069 432 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 432 F C 1.952 177.807 175.800 0.091 0.000 1.113 432 F CA 1.715 59.806 58.000 0.152 0.000 1.214 432 F CB -0.087 39.081 39.000 0.281 0.000 0.978 432 F HN 0.168 nan 8.300 nan 0.000 0.474 433 L N 0.154 121.348 121.223 -0.049 0.000 2.093 433 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 433 L C 2.257 179.045 176.870 -0.138 0.000 1.085 433 L CA 1.480 56.203 54.840 -0.196 0.000 0.755 433 L CB -0.933 41.043 42.059 -0.138 0.000 0.904 433 L HN 0.283 nan 8.230 nan 0.000 0.435 434 N N -0.245 118.421 118.700 -0.057 0.000 2.289 434 N HA -0.189 4.551 4.740 -0.000 0.000 0.184 434 N C 2.006 177.503 175.510 -0.021 0.000 1.016 434 N CA 1.353 54.383 53.050 -0.033 0.000 0.872 434 N CB 0.200 38.683 38.487 -0.006 0.000 0.973 434 N HN 0.404 nan 8.380 nan 0.000 0.433 435 S N 0.429 116.126 115.700 -0.004 0.000 2.387 435 S HA -0.056 4.414 4.470 -0.000 0.000 0.226 435 S C 1.738 176.355 174.600 0.028 0.000 1.026 435 S CA 0.511 58.731 58.200 0.033 0.000 0.972 435 S CB -0.290 62.978 63.200 0.112 0.000 0.814 435 S HN 0.299 nan 8.310 nan 0.000 0.477 436 M N 2.422 121.977 119.600 -0.075 0.000 2.633 436 M HA 0.210 4.690 4.480 -0.000 0.000 0.226 436 M C 0.868 177.097 176.300 -0.119 0.000 1.137 436 M CA -0.025 55.184 55.300 -0.152 0.000 1.020 436 M CB -0.327 32.021 32.600 -0.420 0.000 1.675 436 M HN 0.255 nan 8.290 nan 0.000 0.500 437 R N 2.514 122.974 120.500 -0.066 0.000 2.543 437 R HA 0.272 4.612 4.340 -0.000 0.000 0.277 437 R C -2.954 173.337 176.300 -0.016 0.000 1.074 437 R CA -1.207 54.868 56.100 -0.042 0.000 1.076 437 R CB -0.214 30.071 30.300 -0.026 0.000 0.993 437 R HN -0.050 nan 8.270 nan 0.000 0.459 438 P HA 0.245 nan 4.420 nan 0.000 0.271 438 P C -0.725 176.579 177.300 0.006 0.000 1.216 438 P CA -0.120 62.983 63.100 0.004 0.000 0.776 438 P CB 0.640 32.344 31.700 0.006 0.000 0.881 439 R N 0.635 121.140 120.500 0.008 0.000 2.919 439 R HA 0.640 4.980 4.340 -0.000 0.000 0.260 439 R C 0.089 176.380 176.300 -0.015 0.000 1.067 439 R CA -0.757 55.343 56.100 0.000 0.000 1.003 439 R CB 1.597 31.901 30.300 0.007 0.000 1.192 439 R HN 0.534 nan 8.270 nan 0.000 0.488 440 S N -0.185 115.494 115.700 -0.035 0.000 2.687 440 S HA 0.390 4.860 4.470 -0.000 0.000 0.283 440 S C 1.032 175.561 174.600 -0.119 0.000 1.170 440 S CA -0.354 57.802 58.200 -0.072 0.000 1.008 440 S CB 1.749 64.899 63.200 -0.083 0.000 1.026 440 S HN 0.726 nan 8.310 nan 0.000 0.541 441 A N 0.554 123.257 122.820 -0.194 0.000 1.948 441 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 441 A C 2.062 179.293 177.584 -0.589 0.000 1.177 441 A CA 1.919 53.741 52.037 -0.359 0.000 0.636 441 A CB -1.154 17.587 19.000 -0.433 0.000 0.815 441 A HN 0.984 nan 8.150 nan 0.000 0.449 442 E N -0.577 119.342 120.200 -0.468 0.000 2.085 442 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 442 E C 1.906 178.463 176.600 -0.071 0.000 0.994 442 E CA 1.639 57.849 56.400 -0.317 0.000 0.801 442 E CB -0.048 29.540 29.700 -0.187 0.000 0.743 442 E HN 0.473 nan 8.360 nan 0.000 0.453 443 K N 0.454 120.821 120.400 -0.054 0.000 2.167 443 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 443 K C 1.977 178.612 176.600 0.058 0.000 1.052 443 K CA 0.182 56.480 56.287 0.019 0.000 0.956 443 K CB -0.174 32.329 32.500 0.005 0.000 0.735 443 K HN 0.120 nan 8.250 nan 0.000 0.451 444 L N -0.490 120.758 121.223 0.041 0.000 2.046 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 444 L C 1.554 178.578 176.870 0.256 0.000 1.077 444 L CA 1.599 56.508 54.840 0.114 0.000 0.747 444 L CB -0.333 41.784 42.059 0.097 0.000 0.896 444 L HN 0.366 nan 8.230 nan 0.000 0.432 445 W N 0.557 121.880 121.300 0.039 0.000 2.317 445 W HA -0.260 4.400 4.660 -0.000 0.000 0.318 445 W C 2.957 179.521 176.519 0.075 0.000 1.227 445 W CA 2.270 59.644 57.345 0.049 0.000 1.269 445 W CB -1.334 28.147 29.460 0.035 0.000 1.155 445 W HN 0.137 nan 8.180 nan 0.000 0.484 446 K N 0.261 120.842 120.400 0.301 0.000 2.063 446 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 446 K C 2.026 178.734 176.600 0.180 0.000 1.048 446 K CA 1.797 58.218 56.287 0.223 0.000 0.928 446 K CB -1.268 31.330 32.500 0.163 0.000 0.713 446 K HN 0.277 nan 8.250 nan 0.000 0.442 447 L N 0.463 121.766 121.223 0.133 0.000 2.083 447 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 447 L C 2.907 179.822 176.870 0.075 0.000 1.083 447 L CA 1.877 56.761 54.840 0.073 0.000 0.752 447 L CB -0.085 41.995 42.059 0.036 0.000 0.899 447 L HN 0.565 nan 8.230 nan 0.000 0.433 448 Q N -1.827 118.048 119.800 0.125 0.000 2.167 448 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 448 Q C 2.032 178.104 176.000 0.120 0.000 0.970 448 Q CA 1.593 57.461 55.803 0.109 0.000 0.855 448 Q CB -0.014 28.801 28.738 0.128 0.000 0.911 448 Q HN 0.615 nan 8.270 nan 0.000 0.438 449 H N 0.046 119.150 119.070 0.057 0.000 2.436 449 H HA 0.030 4.586 4.556 -0.000 0.000 0.294 449 H C 1.499 176.869 175.328 0.069 0.000 1.048 449 H CA 1.479 57.557 56.048 0.049 0.000 1.353 449 H CB 0.330 30.120 29.762 0.047 0.000 1.414 449 H HN 0.226 nan 8.280 nan 0.000 0.536 450 E N 0.069 120.249 120.200 -0.034 0.000 2.077 450 E HA -0.128 4.221 4.350 -0.000 0.000 0.193 450 E C 2.154 178.748 176.600 -0.010 0.000 0.989 450 E CA 1.224 57.602 56.400 -0.036 0.000 0.800 450 E CB 0.043 29.774 29.700 0.052 0.000 0.746 450 E HN 0.515 nan 8.360 nan 0.000 0.452 451 I N 1.429 121.993 120.570 -0.010 0.000 2.179 451 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 451 I C 2.716 178.857 176.117 0.040 0.000 1.088 451 I CA 1.396 62.700 61.300 0.007 0.000 1.357 451 I CB -0.593 37.396 38.000 -0.018 0.000 1.051 451 I HN 0.250 nan 8.210 nan 0.000 0.409 452 E N 1.234 121.440 120.200 0.010 0.000 2.208 452 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 452 E C 2.225 178.819 176.600 -0.010 0.000 0.988 452 E CA 0.953 57.363 56.400 0.016 0.000 0.828 452 E CB -0.141 29.585 29.700 0.044 0.000 0.763 452 E HN 0.445 nan 8.360 nan 0.000 0.478 453 M N -0.013 119.535 119.600 -0.086 0.000 2.099 453 M HA -0.139 4.340 4.480 -0.000 0.000 0.262 453 M C 2.228 178.544 176.300 0.026 0.000 1.067 453 M CA 1.693 56.948 55.300 -0.076 0.000 1.124 453 M CB -0.359 32.128 32.600 -0.187 0.000 1.353 453 M HN 0.209 nan 8.290 nan 0.000 0.410 454 Y N 0.517 120.792 120.300 -0.042 0.000 2.224 454 Y HA -0.279 4.271 4.550 -0.000 0.000 0.289 454 Y C 2.510 178.393 175.900 -0.028 0.000 1.146 454 Y CA 1.716 59.805 58.100 -0.018 0.000 1.182 454 Y CB -0.150 38.303 38.460 -0.011 0.000 0.983 454 Y HN 0.087 nan 8.280 nan 0.000 0.524 455 R N -0.144 120.318 120.500 -0.065 0.000 2.094 455 R HA -0.251 4.088 4.340 -0.000 0.000 0.239 455 R C 2.268 178.542 176.300 -0.044 0.000 1.137 455 R CA 2.145 58.197 56.100 -0.080 0.000 0.943 455 R CB -0.234 30.080 30.300 0.023 0.000 0.850 455 R HN 0.335 nan 8.270 nan 0.000 0.433 456 Q N -0.216 119.572 119.800 -0.020 0.000 2.170 456 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 456 Q C 2.107 178.095 176.000 -0.018 0.000 0.976 456 Q CA 1.791 57.594 55.803 -0.000 0.000 0.858 456 Q CB -0.312 28.432 28.738 0.010 0.000 0.907 456 Q HN 0.358 nan 8.270 nan 0.000 0.433 457 S N -0.457 115.195 115.700 -0.080 0.000 2.368 457 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 457 S C 1.976 176.515 174.600 -0.103 0.000 1.029 457 S CA 1.226 59.369 58.200 -0.094 0.000 0.988 457 S CB -0.065 63.071 63.200 -0.107 0.000 0.838 457 S HN 0.154 nan 8.310 nan 0.000 0.462 458 V N 1.739 121.527 119.914 -0.209 0.000 2.591 458 V HA 0.016 4.136 4.120 -0.000 0.000 0.249 458 V C 2.400 178.655 176.094 0.267 0.000 1.053 458 V CA 1.383 63.674 62.300 -0.014 0.000 1.068 458 V CB -0.584 31.119 31.823 -0.200 0.000 0.689 458 V HN 0.508 nan 8.190 nan 0.000 0.462 459 I N 0.607 121.286 120.570 0.181 0.000 2.226 459 I HA -0.230 3.939 4.170 -0.000 0.000 0.245 459 I C 2.662 178.873 176.117 0.156 0.000 1.100 459 I CA 1.547 62.932 61.300 0.141 0.000 1.374 459 I CB -0.499 37.523 38.000 0.037 0.000 1.057 459 I HN 0.319 nan 8.210 nan 0.000 0.413 460 A N -0.193 122.699 122.820 0.120 0.000 1.933 460 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 460 A C 2.247 179.940 177.584 0.182 0.000 1.175 460 A CA 1.379 53.487 52.037 0.118 0.000 0.628 460 A CB -0.568 18.473 19.000 0.068 0.000 0.814 460 A HN 0.450 nan 8.150 nan 0.000 0.444 461 Q N -1.661 118.280 119.800 0.234 0.000 2.124 461 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 461 Q C 1.987 178.333 176.000 0.577 0.000 0.977 461 Q CA 1.387 57.389 55.803 0.332 0.000 0.850 461 Q CB -0.201 28.709 28.738 0.287 0.000 0.901 461 Q HN 0.923 nan 8.270 nan 0.000 0.429 462 W N 1.234 122.717 121.300 0.306 0.000 2.402 462 W HA -0.137 4.522 4.660 -0.000 0.000 0.286 462 W C 1.267 177.785 176.519 -0.001 0.000 1.221 462 W CA 1.076 58.443 57.345 0.038 0.000 1.257 462 W CB 0.196 29.641 29.460 -0.026 0.000 1.120 462 W HN 0.051 nan 8.180 nan 0.000 0.551 463 K N -0.223 120.369 120.400 0.321 0.000 2.211 463 K HA 0.037 4.357 4.320 -0.000 0.000 0.201 463 K C 2.108 178.782 176.600 0.124 0.000 1.052 463 K CA 1.001 57.406 56.287 0.197 0.000 0.973 463 K CB -0.650 31.934 32.500 0.141 0.000 0.766 463 K HN 0.031 nan 8.250 nan 0.000 0.466 464 A N 1.045 123.943 122.820 0.130 0.000 1.972 464 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 464 A C 2.055 179.687 177.584 0.079 0.000 1.169 464 A CA 1.334 53.428 52.037 0.094 0.000 0.635 464 A CB -0.255 18.802 19.000 0.095 0.000 0.810 464 A HN 0.189 nan 8.150 nan 0.000 0.446 465 M N -1.621 118.034 119.600 0.092 0.000 2.502 465 M HA 0.182 4.661 4.480 -0.000 0.000 0.243 465 M C 0.517 176.795 176.300 -0.037 0.000 1.130 465 M CA 0.275 55.598 55.300 0.038 0.000 1.055 465 M CB -0.230 32.417 32.600 0.079 0.000 1.457 465 M HN 0.512 nan 8.290 nan 0.000 0.488 466 N N 0.839 119.530 118.700 -0.014 0.000 2.714 466 N HA -0.171 4.569 4.740 -0.000 0.000 0.252 466 N C -1.001 174.448 175.510 -0.100 0.000 1.014 466 N CA 0.061 53.101 53.050 -0.016 0.000 0.735 466 N CB -0.824 37.664 38.487 0.003 0.000 0.924 466 N HN 0.367 nan 8.380 nan 0.000 0.540 467 L N -1.172 119.880 121.223 -0.286 0.000 2.475 467 L HA 0.176 4.515 4.340 -0.000 0.000 0.250 467 L C 1.373 178.141 176.870 -0.171 0.000 1.224 467 L CA -0.220 54.330 54.840 -0.483 0.000 0.821 467 L CB 0.256 41.576 42.059 -1.231 0.000 1.141 467 L HN 0.178 nan 8.230 nan 0.000 0.494 468 D N -1.082 119.208 120.400 -0.183 0.000 2.455 468 D HA 0.271 4.910 4.640 -0.000 0.000 0.228 468 D C -0.347 176.020 176.300 0.111 0.000 1.070 468 D CA 0.660 54.664 54.000 0.007 0.000 0.881 468 D CB 1.834 42.585 40.800 -0.081 0.000 1.087 468 D HN 0.172 nan 8.370 nan 0.000 0.498 469 V N 0.722 120.550 119.914 -0.143 0.000 3.216 469 V HA 0.257 4.377 4.120 -0.000 0.000 0.273 469 V C -2.045 173.731 176.094 -0.530 0.000 1.664 469 V CA -0.793 61.374 62.300 -0.222 0.000 1.021 469 V CB 2.890 34.397 31.823 -0.527 0.000 1.250 469 V HN -0.062 nan 8.190 nan 0.000 0.463 470 L N 3.610 124.648 121.223 -0.307 0.000 2.410 470 L HA 0.795 5.135 4.340 -0.000 0.000 0.270 470 L C -1.232 175.611 176.870 -0.046 0.000 0.983 470 L CA -0.276 54.419 54.840 -0.242 0.000 0.822 470 L CB 1.689 43.715 42.059 -0.054 0.000 1.285 470 L HN 0.664 nan 8.230 nan 0.000 0.409 471 L N 3.854 125.058 121.223 -0.032 0.000 2.313 471 L HA 0.788 5.128 4.340 -0.000 0.000 0.283 471 L C -0.647 176.120 176.870 -0.171 0.000 1.013 471 L CA 0.459 55.330 54.840 0.052 0.000 0.816 471 L CB 1.766 43.927 42.059 0.171 0.000 1.236 471 L HN 0.692 nan 8.230 nan 0.000 0.419 472 T N 5.722 120.151 114.554 -0.208 0.000 2.912 472 T HA 0.541 4.891 4.350 -0.000 0.000 0.299 472 T C -2.750 171.849 174.700 -0.169 0.000 1.052 472 T CA -1.070 60.801 62.100 -0.381 0.000 0.996 472 T CB 2.104 70.833 68.868 -0.232 0.000 1.070 472 T HN 0.316 nan 8.240 nan 0.000 0.465 473 P HA 0.382 nan 4.420 nan 0.000 0.270 473 P C -0.901 176.212 177.300 -0.312 0.000 1.223 473 P CA -0.572 62.386 63.100 -0.236 0.000 0.785 473 P CB 0.416 31.901 31.700 -0.359 0.000 0.923 474 M N 2.509 121.958 119.600 -0.251 0.000 2.263 474 M HA 0.306 4.786 4.480 -0.000 0.000 0.295 474 M C -1.073 175.171 176.300 -0.093 0.000 1.028 474 M CA -1.063 54.145 55.300 -0.153 0.000 0.921 474 M CB 0.945 33.497 32.600 -0.079 0.000 1.601 474 M HN 0.153 nan 8.290 nan 0.000 0.440 475 L N 5.089 126.326 121.223 0.023 0.000 2.884 475 L HA -0.038 4.302 4.340 -0.000 0.000 0.294 475 L C 0.862 177.882 176.870 0.251 0.000 1.164 475 L CA 1.108 56.071 54.840 0.204 0.000 0.918 475 L CB -0.525 41.790 42.059 0.427 0.000 1.281 475 L HN 1.049 nan 8.230 nan 0.000 0.478 476 G N 6.779 115.662 108.800 0.139 0.000 2.335 476 G HA2 0.034 3.994 3.960 -0.000 0.000 0.285 476 G HA3 0.034 3.994 3.960 -0.000 0.000 0.285 476 G C -2.337 172.583 174.900 0.034 0.000 1.448 476 G CA -0.498 44.639 45.100 0.060 0.000 1.070 476 G HN 0.645 nan 8.290 nan 0.000 0.564 477 P HA 0.224 nan 4.420 nan 0.000 0.267 477 P C -0.025 176.997 177.300 -0.463 0.000 1.200 477 P CA 0.245 63.223 63.100 -0.203 0.000 0.772 477 P CB 0.343 31.939 31.700 -0.173 0.000 0.855 478 A N 3.427 125.816 122.820 -0.718 0.000 2.591 478 A HA 0.017 4.337 4.320 -0.000 0.000 0.244 478 A C 0.492 177.644 177.584 -0.719 0.000 1.031 478 A CA 0.139 51.408 52.037 -1.279 0.000 0.767 478 A CB -0.851 17.734 19.000 -0.692 0.000 0.942 478 A HN 0.446 nan 8.150 nan 0.000 0.514 479 L N 2.591 123.397 121.223 -0.696 0.000 2.474 479 L HA 0.123 4.463 4.340 -0.000 0.000 0.259 479 L C 1.372 178.109 176.870 -0.223 0.000 1.232 479 L CA 0.410 55.074 54.840 -0.292 0.000 0.821 479 L CB 0.009 41.984 42.059 -0.140 0.000 1.108 479 L HN 0.767 nan 8.230 nan 0.000 0.495 480 D N -0.624 119.688 120.400 -0.148 0.000 2.080 480 D HA -0.033 4.607 4.640 -0.000 0.000 0.267 480 D C 1.137 177.380 176.300 -0.094 0.000 1.165 480 D CA -0.189 53.747 54.000 -0.107 0.000 0.982 480 D CB 0.291 41.044 40.800 -0.079 0.000 1.172 480 D HN 0.147 nan 8.370 nan 0.000 0.503 481 L N 0.557 121.738 121.223 -0.070 0.000 1.972 481 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 481 L C 1.152 177.975 176.870 -0.078 0.000 1.125 481 L CA 1.441 56.245 54.840 -0.060 0.000 0.784 481 L CB -1.148 40.888 42.059 -0.039 0.000 0.902 481 L HN 0.229 nan 8.230 nan 0.000 0.444 482 N N -0.044 118.615 118.700 -0.068 0.000 2.802 482 N HA 0.038 4.778 4.740 -0.000 0.000 0.288 482 N C 0.808 176.263 175.510 -0.092 0.000 1.268 482 N CA 0.606 53.611 53.050 -0.075 0.000 1.035 482 N CB 0.283 38.744 38.487 -0.043 0.000 1.353 482 N HN 0.537 nan 8.380 nan 0.000 0.522 483 T N -3.591 110.883 114.554 -0.133 0.000 2.990 483 T HA 0.175 4.525 4.350 -0.000 0.000 0.249 483 T C -1.073 173.495 174.700 -0.221 0.000 1.039 483 T CA -0.092 61.930 62.100 -0.131 0.000 1.036 483 T CB -0.293 68.519 68.868 -0.093 0.000 0.994 483 T HN -0.071 nan 8.240 nan 0.000 0.489 484 P HA -0.050 nan 4.420 nan 0.000 0.216 484 P C 1.969 178.995 177.300 -0.457 0.000 1.157 484 P CA 1.766 64.324 63.100 -0.904 0.000 0.880 484 P CB -0.704 30.090 31.700 -1.512 0.000 0.791 485 G N 0.254 108.891 108.800 -0.272 0.000 2.469 485 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.220 485 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.220 485 G C 1.380 176.253 174.900 -0.046 0.000 1.136 485 G CA 0.627 45.666 45.100 -0.101 0.000 0.759 485 G HN 0.300 nan 8.290 nan 0.000 0.562 486 R N 0.309 120.784 120.500 -0.043 0.000 2.310 486 R HA 0.331 4.671 4.340 -0.000 0.000 0.202 486 R C 1.222 177.564 176.300 0.071 0.000 0.933 486 R CA 0.690 56.819 56.100 0.049 0.000 1.054 486 R CB 0.294 30.625 30.300 0.053 0.000 0.985 486 R HN 0.307 nan 8.270 nan 0.000 0.489 487 A N 0.713 123.484 122.820 -0.081 0.000 2.643 487 A HA 0.208 4.528 4.320 -0.000 0.000 0.295 487 A C 1.089 178.421 177.584 -0.421 0.000 1.065 487 A CA -0.398 51.569 52.037 -0.118 0.000 0.986 487 A CB 0.109 19.148 19.000 0.064 0.000 1.212 487 A HN -0.009 nan 8.150 nan 0.000 0.516 488 T N 0.122 114.138 114.554 -0.897 0.000 2.714 488 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 488 T C 1.822 175.980 174.700 -0.903 0.000 1.036 488 T CA 2.262 63.819 62.100 -0.904 0.000 1.148 488 T CB -0.170 68.012 68.868 -1.143 0.000 0.856 488 T HN 0.678 nan 8.240 nan 0.000 0.462 489 G N 0.117 108.160 108.800 -1.262 0.000 2.882 489 G HA2 0.215 4.175 3.960 -0.000 0.000 0.206 489 G HA3 0.215 4.175 3.960 -0.000 0.000 0.206 489 G C 1.257 176.163 174.900 0.009 0.000 1.155 489 G CA 0.523 45.394 45.100 -0.382 0.000 0.800 489 G HN 0.595 nan 8.290 nan 0.000 0.524 490 A N 0.759 123.554 122.820 -0.041 0.000 2.251 490 A HA 0.276 4.596 4.320 -0.000 0.000 0.209 490 A C 1.951 179.553 177.584 0.030 0.000 1.187 490 A CA 0.453 52.547 52.037 0.095 0.000 0.823 490 A CB -0.258 18.838 19.000 0.161 0.000 0.846 490 A HN 0.677 nan 8.150 nan 0.000 0.486 491 I N -2.235 118.289 120.570 -0.077 0.000 3.793 491 I HA 0.051 4.221 4.170 -0.000 0.000 0.315 491 I C 1.729 177.830 176.117 -0.027 0.000 1.275 491 I CA 1.034 62.339 61.300 0.008 0.000 1.214 491 I CB -0.315 37.652 38.000 -0.054 0.000 1.018 491 I HN 0.238 nan 8.210 nan 0.000 0.439 492 S N 1.383 117.050 115.700 -0.056 0.000 2.420 492 S HA -0.251 4.219 4.470 -0.000 0.000 0.237 492 S C 1.766 176.235 174.600 -0.218 0.000 1.023 492 S CA 1.175 59.259 58.200 -0.192 0.000 0.991 492 S CB -0.762 62.332 63.200 -0.178 0.000 0.792 492 S HN 0.659 nan 8.310 nan 0.000 0.488 493 Y N 2.692 123.049 120.300 0.094 0.000 2.176 493 Y HA 0.003 4.553 4.550 -0.000 0.000 0.291 493 Y C 3.314 179.292 175.900 0.130 0.000 1.122 493 Y CA 1.551 59.744 58.100 0.155 0.000 1.128 493 Y CB -1.075 37.483 38.460 0.163 0.000 1.005 493 Y HN 0.568 nan 8.280 nan 0.000 0.509 494 T N -3.252 111.364 114.554 0.103 0.000 2.814 494 T HA -0.105 4.245 4.350 -0.000 0.000 0.254 494 T C 2.040 176.732 174.700 -0.013 0.000 1.037 494 T CA 0.957 63.030 62.100 -0.046 0.000 1.143 494 T CB -1.119 67.466 68.868 -0.471 0.000 0.866 494 T HN 0.113 nan 8.240 nan 0.000 0.431 495 V N 1.788 121.648 119.914 -0.090 0.000 2.469 495 V HA -0.080 4.040 4.120 -0.000 0.000 0.251 495 V C 2.492 178.490 176.094 -0.159 0.000 1.064 495 V CA 1.774 64.001 62.300 -0.122 0.000 1.066 495 V CB -0.740 30.996 31.823 -0.145 0.000 0.667 495 V HN 0.554 nan 8.190 nan 0.000 0.461 496 L N -0.739 120.353 121.223 -0.219 0.000 2.261 496 L HA -0.172 4.168 4.340 -0.000 0.000 0.216 496 L C 1.847 178.376 176.870 -0.568 0.000 1.114 496 L CA 2.101 56.694 54.840 -0.410 0.000 0.777 496 L CB -0.503 41.255 42.059 -0.500 0.000 0.910 496 L HN 0.490 nan 8.230 nan 0.000 0.440 497 Y N -1.444 118.802 120.300 -0.090 0.000 2.497 497 Y HA 0.130 4.680 4.550 -0.000 0.000 0.265 497 Y C 2.300 178.144 175.900 -0.093 0.000 1.111 497 Y CA 0.231 58.273 58.100 -0.097 0.000 1.288 497 Y CB -0.407 38.053 38.460 0.000 0.000 1.082 497 Y HN 0.239 nan 8.280 nan 0.000 0.536 498 N N -0.451 118.243 118.700 -0.011 0.000 2.142 498 N HA -0.202 4.538 4.740 -0.000 0.000 0.186 498 N C 2.011 177.469 175.510 -0.086 0.000 1.023 498 N CA 1.566 54.587 53.050 -0.049 0.000 0.852 498 N CB -0.660 37.785 38.487 -0.070 0.000 0.998 498 N HN 0.392 nan 8.380 nan 0.000 0.424 499 C N 1.350 120.568 119.300 -0.136 0.000 2.429 499 C HA 0.050 4.510 4.460 -0.000 0.000 0.277 499 C C 2.584 177.501 174.990 -0.122 0.000 1.262 499 C CA 0.281 59.214 59.018 -0.142 0.000 1.733 499 C CB -1.205 26.419 27.740 -0.194 0.000 2.010 499 C HN 0.343 nan 8.230 nan 0.000 0.483 500 L N 0.225 121.322 121.223 -0.210 0.000 2.418 500 L HA 0.083 4.423 4.340 -0.000 0.000 0.218 500 L C 0.979 177.761 176.870 -0.147 0.000 1.125 500 L CA 1.243 55.881 54.840 -0.337 0.000 0.835 500 L CB -0.486 41.044 42.059 -0.882 0.000 0.953 500 L HN 0.345 nan 8.230 nan 0.000 0.454 501 D N 0.146 120.518 120.400 -0.046 0.000 2.697 501 D HA -0.254 4.386 4.640 -0.000 0.000 0.238 501 D C -0.382 176.052 176.300 0.223 0.000 1.152 501 D CA 0.628 54.652 54.000 0.039 0.000 0.666 501 D CB -1.185 39.594 40.800 -0.034 0.000 1.037 501 D HN 0.146 nan 8.370 nan 0.000 0.423 502 F N -0.412 119.523 119.950 -0.026 0.000 2.425 502 F HA 0.444 4.970 4.527 -0.000 0.000 0.331 502 F C -1.429 174.337 175.800 -0.057 0.000 1.085 502 F CA -2.636 55.334 58.000 -0.050 0.000 1.028 502 F CB 1.516 40.576 39.000 0.101 0.000 1.177 502 F HN -0.161 nan 8.300 nan 0.000 0.487 503 P HA 0.113 nan 4.420 nan 0.000 0.267 503 P C -1.296 176.023 177.300 0.031 0.000 1.205 503 P CA 0.049 63.156 63.100 0.012 0.000 0.765 503 P CB 0.749 32.434 31.700 -0.024 0.000 0.828 504 A N 3.164 125.989 122.820 0.010 0.000 2.398 504 A HA 0.774 5.094 4.320 -0.000 0.000 0.301 504 A C -0.287 177.278 177.584 -0.032 0.000 1.041 504 A CA -0.518 51.496 52.037 -0.037 0.000 0.711 504 A CB 1.611 20.566 19.000 -0.075 0.000 1.240 504 A HN 0.532 nan 8.150 nan 0.000 0.420 505 G N 0.103 108.884 108.800 -0.032 0.000 2.591 505 G HA2 0.586 4.546 3.960 -0.000 0.000 0.306 505 G HA3 0.586 4.546 3.960 -0.000 0.000 0.306 505 G C -1.572 173.295 174.900 -0.055 0.000 1.334 505 G CA -0.488 44.595 45.100 -0.029 0.000 0.981 505 G HN 0.900 nan 8.290 nan 0.000 0.491 506 V N 1.409 121.287 119.914 -0.060 0.000 2.495 506 V HA 0.707 4.827 4.120 -0.000 0.000 0.298 506 V C -0.509 175.548 176.094 -0.062 0.000 1.031 506 V CA -0.762 61.495 62.300 -0.071 0.000 0.871 506 V CB 1.611 33.387 31.823 -0.077 0.000 0.988 506 V HN 0.791 nan 8.190 nan 0.000 0.432 507 V N 7.557 127.424 119.914 -0.078 0.000 2.623 507 V HA 0.705 4.825 4.120 -0.000 0.000 0.304 507 V C -2.560 173.492 176.094 -0.071 0.000 1.054 507 V CA -2.208 60.049 62.300 -0.071 0.000 0.882 507 V CB 2.883 34.650 31.823 -0.093 0.000 1.002 507 V HN 0.771 nan 8.190 nan 0.000 0.424 508 P HA 0.147 nan 4.420 nan 0.000 0.271 508 P C 0.411 177.673 177.300 -0.063 0.000 1.220 508 P CA 0.369 63.433 63.100 -0.061 0.000 0.768 508 P CB 1.510 33.176 31.700 -0.057 0.000 0.848 509 V N 0.214 120.087 119.914 -0.069 0.000 3.612 509 V HA 0.328 4.448 4.120 -0.000 0.000 0.268 509 V C 0.566 176.629 176.094 -0.053 0.000 1.365 509 V CA 0.759 63.021 62.300 -0.063 0.000 1.044 509 V CB 0.348 32.126 31.823 -0.074 0.000 0.820 509 V HN 0.636 nan 8.190 nan 0.000 0.444 510 T N 0.458 114.976 114.554 -0.060 0.000 2.718 510 T HA 0.564 4.914 4.350 -0.000 0.000 0.306 510 T C -0.592 174.061 174.700 -0.079 0.000 1.485 510 T CA 0.508 62.577 62.100 -0.053 0.000 0.997 510 T CB 1.698 70.541 68.868 -0.042 0.000 1.504 510 T HN 0.806 nan 8.240 nan 0.000 0.497 511 T N -0.705 113.809 114.554 -0.066 0.000 2.949 511 T HA 0.722 5.072 4.350 -0.000 0.000 0.287 511 T C -0.194 174.470 174.700 -0.061 0.000 1.034 511 T CA -0.717 61.329 62.100 -0.090 0.000 1.018 511 T CB 1.032 69.854 68.868 -0.076 0.000 1.135 511 T HN 0.494 nan 8.240 nan 0.000 0.532 512 V N 3.113 122.986 119.914 -0.068 0.000 2.485 512 V HA 0.307 4.426 4.120 -0.000 0.000 0.287 512 V C 1.430 177.510 176.094 -0.023 0.000 1.022 512 V CA -0.173 62.099 62.300 -0.047 0.000 1.067 512 V CB -0.051 31.738 31.823 -0.057 0.000 0.967 512 V HN 1.209 nan 8.190 nan 0.000 0.479 513 T N 2.647 117.191 114.554 -0.015 0.000 2.824 513 T HA 0.553 4.903 4.350 -0.000 0.000 0.277 513 T C 1.399 176.097 174.700 -0.004 0.000 0.975 513 T CA -0.065 62.032 62.100 -0.004 0.000 0.966 513 T CB 1.549 70.416 68.868 -0.002 0.000 1.054 513 T HN 0.703 nan 8.240 nan 0.000 0.533 514 A N 0.574 123.395 122.820 0.001 0.000 1.892 514 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 514 A C 2.574 180.158 177.584 0.000 0.000 1.188 514 A CA 2.259 54.297 52.037 0.001 0.000 0.631 514 A CB -1.842 17.161 19.000 0.004 0.000 0.822 514 A HN 1.186 nan 8.150 nan 0.000 0.447 515 E N -0.185 120.016 120.200 0.002 0.000 2.347 515 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 515 E C 1.475 178.077 176.600 0.004 0.000 1.008 515 E CA 1.188 57.590 56.400 0.004 0.000 0.852 515 E CB -0.663 29.041 29.700 0.006 0.000 0.783 515 E HN 0.676 nan 8.360 nan 0.000 0.505 516 D N 0.103 120.502 120.400 -0.001 0.000 2.183 516 D HA -0.058 4.582 4.640 -0.000 0.000 0.203 516 D C 1.101 177.395 176.300 -0.011 0.000 0.969 516 D CA 1.336 55.334 54.000 -0.004 0.000 0.842 516 D CB -0.051 40.740 40.800 -0.014 0.000 0.957 516 D HN 0.477 nan 8.370 nan 0.000 0.484 517 D N -0.567 119.825 120.400 -0.014 0.000 2.327 517 D HA 0.136 4.776 4.640 -0.000 0.000 0.205 517 D C 1.870 178.165 176.300 -0.010 0.000 0.989 517 D CA 0.412 54.400 54.000 -0.021 0.000 0.873 517 D CB 0.385 41.170 40.800 -0.024 0.000 0.955 517 D HN 0.033 nan 8.370 nan 0.000 0.515 518 A N 0.113 122.932 122.820 -0.001 0.000 1.872 518 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 518 A C 2.232 179.824 177.584 0.013 0.000 1.187 518 A CA 1.817 53.857 52.037 0.005 0.000 0.614 518 A CB -1.161 17.842 19.000 0.006 0.000 0.826 518 A HN 0.277 nan 8.150 nan 0.000 0.442 519 Q N -1.361 118.450 119.800 0.018 0.000 2.515 519 Q HA 0.234 4.574 4.340 -0.000 0.000 0.212 519 Q C 1.674 177.705 176.000 0.052 0.000 0.970 519 Q CA 1.453 57.275 55.803 0.032 0.000 0.941 519 Q CB -0.825 27.933 28.738 0.032 0.000 0.998 519 Q HN 0.576 nan 8.270 nan 0.000 0.518 520 M N 0.596 120.215 119.600 0.032 0.000 2.492 520 M HA 0.093 4.573 4.480 -0.000 0.000 0.262 520 M C 1.992 178.321 176.300 0.049 0.000 1.090 520 M CA 1.342 56.656 55.300 0.022 0.000 1.110 520 M CB -0.172 32.404 32.600 -0.040 0.000 1.407 520 M HN 0.599 nan 8.290 nan 0.000 0.470 521 E N -0.576 119.650 120.200 0.043 0.000 2.481 521 E HA 0.310 4.660 4.350 -0.000 0.000 0.195 521 E C 1.516 178.155 176.600 0.064 0.000 1.047 521 E CA 0.976 57.405 56.400 0.048 0.000 0.867 521 E CB -1.281 28.435 29.700 0.026 0.000 0.858 521 E HN 0.584 nan 8.360 nan 0.000 0.513 522 L N -0.470 120.796 121.223 0.072 0.000 2.737 522 L HA 0.618 4.958 4.340 -0.000 0.000 0.236 522 L C 0.779 177.698 176.870 0.083 0.000 1.219 522 L CA -0.144 54.732 54.840 0.059 0.000 1.021 522 L CB -1.493 40.589 42.059 0.038 0.000 1.291 522 L HN 0.538 nan 8.230 nan 0.000 0.470 523 Y N 1.317 121.605 120.300 -0.021 0.000 2.454 523 Y HA 0.554 5.104 4.550 -0.000 0.000 0.345 523 Y C 0.466 176.343 175.900 -0.039 0.000 0.970 523 Y CA -0.321 57.760 58.100 -0.031 0.000 1.204 523 Y CB 0.157 38.607 38.460 -0.017 0.000 1.122 523 Y HN 0.345 nan 8.280 nan 0.000 0.514 524 K N 3.916 124.074 120.400 -0.404 0.000 2.159 524 K HA 0.739 5.059 4.320 -0.000 0.000 0.266 524 K C 0.337 176.507 176.600 -0.717 0.000 0.975 524 K CA -0.316 55.727 56.287 -0.406 0.000 0.865 524 K CB 0.946 33.301 32.500 -0.242 0.000 1.087 524 K HN 0.952 nan 8.250 nan 0.000 0.446 525 G N -0.495 108.014 108.800 -0.485 0.000 2.621 525 G HA2 0.389 4.349 3.960 -0.000 0.000 0.271 525 G HA3 0.389 4.349 3.960 -0.000 0.000 0.271 525 G C 0.084 174.739 174.900 -0.408 0.000 1.236 525 G CA -0.138 44.710 45.100 -0.420 0.000 0.958 525 G HN 0.670 nan 8.290 nan 0.000 0.512 526 Y N -1.188 118.925 120.300 -0.312 0.000 2.544 526 Y HA 0.194 4.744 4.550 -0.000 0.000 0.286 526 Y C 1.722 177.113 175.900 -0.848 0.000 1.141 526 Y CA 0.701 58.430 58.100 -0.619 0.000 1.299 526 Y CB 0.110 38.069 38.460 -0.834 0.000 1.030 526 Y HN 0.431 nan 8.280 nan 0.000 0.543 527 F N -2.817 117.167 119.950 0.057 0.000 2.784 527 F HA 0.352 4.879 4.527 -0.000 0.000 0.316 527 F C 1.893 177.717 175.800 0.039 0.000 1.026 527 F CA 0.310 58.326 58.000 0.027 0.000 1.188 527 F CB 0.238 39.232 39.000 -0.010 0.000 0.999 527 F HN -0.161 nan 8.300 nan 0.000 0.605 528 G N 1.998 110.906 108.800 0.180 0.000 2.179 528 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 528 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 528 G C -0.220 174.801 174.900 0.202 0.000 1.010 528 G CA 0.632 45.817 45.100 0.141 0.000 0.736 528 G HN 0.509 nan 8.290 nan 0.000 0.513 529 D N -0.970 119.550 120.400 0.200 0.000 2.478 529 D HA 0.491 5.130 4.640 -0.000 0.000 0.274 529 D C 2.054 178.325 176.300 -0.048 0.000 1.234 529 D CA -0.280 53.742 54.000 0.037 0.000 1.069 529 D CB 0.182 40.908 40.800 -0.125 0.000 1.113 529 D HN 0.582 nan 8.370 nan 0.000 0.571 530 I N -3.337 117.096 120.570 -0.228 0.000 2.676 530 I HA 0.006 4.176 4.170 -0.000 0.000 0.259 530 I C 0.925 177.113 176.117 0.118 0.000 1.194 530 I CA 0.330 61.572 61.300 -0.098 0.000 1.473 530 I CB -0.218 37.675 38.000 -0.179 0.000 1.096 530 I HN 0.271 nan 8.210 nan 0.000 0.443 531 W N 2.177 123.470 121.300 -0.011 0.000 2.418 531 W HA -0.049 4.611 4.660 -0.000 0.000 0.292 531 W C 2.148 178.727 176.519 0.100 0.000 1.213 531 W CA 0.571 57.935 57.345 0.031 0.000 1.283 531 W CB -1.097 28.371 29.460 0.014 0.000 1.119 531 W HN 0.281 nan 8.180 nan 0.000 0.542 532 D N 0.045 120.645 120.400 0.334 0.000 2.097 532 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 532 D C 2.232 178.684 176.300 0.253 0.000 0.984 532 D CA 1.186 55.364 54.000 0.298 0.000 0.826 532 D CB -0.481 40.450 40.800 0.217 0.000 0.973 532 D HN -0.066 nan 8.370 nan 0.000 0.460 533 I N 0.871 121.544 120.570 0.172 0.000 2.163 533 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 533 I C 2.521 178.706 176.117 0.113 0.000 1.085 533 I CA 0.807 62.182 61.300 0.125 0.000 1.347 533 I CB -0.993 37.051 38.000 0.074 0.000 1.044 533 I HN -0.008 nan 8.210 nan 0.000 0.408 534 I N -0.216 120.424 120.570 0.117 0.000 2.252 534 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 534 I C 2.412 178.571 176.117 0.070 0.000 1.102 534 I CA 0.856 62.208 61.300 0.086 0.000 1.385 534 I CB -0.312 37.742 38.000 0.091 0.000 1.064 534 I HN 0.113 nan 8.210 nan 0.000 0.414 535 L N 0.928 122.220 121.223 0.115 0.000 1.989 535 L HA -0.268 4.072 4.340 -0.000 0.000 0.211 535 L C 2.510 179.339 176.870 -0.068 0.000 1.071 535 L CA 2.027 56.906 54.840 0.064 0.000 0.749 535 L CB -0.822 41.336 42.059 0.166 0.000 0.890 535 L HN 0.188 nan 8.230 nan 0.000 0.431 536 K N 0.060 120.468 120.400 0.014 0.000 2.059 536 K HA -0.244 4.075 4.320 -0.000 0.000 0.212 536 K C 2.159 178.733 176.600 -0.043 0.000 1.050 536 K CA 2.700 58.975 56.287 -0.019 0.000 0.927 536 K CB -0.376 32.256 32.500 0.220 0.000 0.714 536 K HN 0.252 nan 8.250 nan 0.000 0.447 537 K N 0.116 120.513 120.400 -0.004 0.000 2.097 537 K HA 0.122 4.442 4.320 -0.000 0.000 0.205 537 K C 2.257 178.828 176.600 -0.047 0.000 1.050 537 K CA 1.485 57.761 56.287 -0.017 0.000 0.938 537 K CB -1.084 31.417 32.500 0.002 0.000 0.718 537 K HN 0.469 nan 8.250 nan 0.000 0.442 538 A N 0.113 122.899 122.820 -0.058 0.000 2.016 538 A HA 0.159 4.478 4.320 -0.000 0.000 0.217 538 A C 2.291 179.806 177.584 -0.115 0.000 1.162 538 A CA 1.479 53.470 52.037 -0.077 0.000 0.662 538 A CB -0.125 18.838 19.000 -0.061 0.000 0.812 538 A HN 0.486 nan 8.150 nan 0.000 0.450 539 M N -0.483 119.032 119.600 -0.140 0.000 2.465 539 M HA 0.098 4.578 4.480 -0.000 0.000 0.249 539 M C 1.244 177.457 176.300 -0.145 0.000 1.130 539 M CA 0.484 55.681 55.300 -0.172 0.000 1.067 539 M CB -0.193 32.270 32.600 -0.229 0.000 1.394 539 M HN 0.361 nan 8.290 nan 0.000 0.483 540 K N 1.180 121.512 120.400 -0.114 0.000 2.149 540 K HA 0.104 4.423 4.320 -0.000 0.000 0.245 540 K C 0.510 177.069 176.600 -0.068 0.000 1.024 540 K CA 0.166 56.405 56.287 -0.079 0.000 0.899 540 K CB -0.350 32.118 32.500 -0.054 0.000 1.038 540 K HN 0.422 nan 8.250 nan 0.000 0.496 541 N N -1.055 117.616 118.700 -0.048 0.000 2.738 541 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 541 N C -0.052 175.433 175.510 -0.042 0.000 1.047 541 N CA 1.197 54.225 53.050 -0.038 0.000 0.707 541 N CB -1.366 37.102 38.487 -0.032 0.000 0.937 541 N HN 0.541 nan 8.380 nan 0.000 0.545 542 S N -1.115 114.556 115.700 -0.048 0.000 2.819 542 S HA 0.240 4.710 4.470 -0.000 0.000 0.249 542 S C -0.134 174.442 174.600 -0.040 0.000 1.030 542 S CA -0.221 57.944 58.200 -0.059 0.000 1.052 542 S CB 0.464 63.604 63.200 -0.099 0.000 1.017 542 S HN 0.288 nan 8.310 nan 0.000 0.576 543 V N 2.063 121.966 119.914 -0.018 0.000 2.509 543 V HA 0.322 4.442 4.120 -0.000 0.000 0.297 543 V C 1.476 177.582 176.094 0.020 0.000 1.014 543 V CA 0.864 63.162 62.300 -0.004 0.000 1.127 543 V CB -0.352 31.474 31.823 0.004 0.000 0.925 543 V HN 0.600 nan 8.190 nan 0.000 0.480 544 G N 4.052 112.860 108.800 0.013 0.000 2.149 544 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.235 544 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.235 544 G C -0.216 174.711 174.900 0.046 0.000 1.018 544 G CA -0.146 44.986 45.100 0.053 0.000 0.728 544 G HN 0.525 nan 8.290 nan 0.000 0.508 545 L N 0.812 121.988 121.223 -0.079 0.000 2.334 545 L HA 0.482 4.822 4.340 -0.000 0.000 0.275 545 L C -1.738 174.906 176.870 -0.376 0.000 1.036 545 L CA -1.972 52.718 54.840 -0.250 0.000 0.807 545 L CB 1.683 43.639 42.059 -0.171 0.000 1.231 545 L HN -0.055 nan 8.230 nan 0.000 0.438 546 P HA 0.134 nan 4.420 nan 0.000 0.276 546 P C -0.880 176.284 177.300 -0.227 0.000 1.235 546 P CA -0.142 62.688 63.100 -0.450 0.000 0.772 546 P CB 1.139 32.484 31.700 -0.591 0.000 0.871 547 V N 2.438 122.263 119.914 -0.150 0.000 2.581 547 V HA 0.777 4.897 4.120 -0.000 0.000 0.303 547 V C 0.383 176.438 176.094 -0.066 0.000 1.041 547 V CA -0.865 61.388 62.300 -0.079 0.000 0.907 547 V CB 1.470 33.252 31.823 -0.068 0.000 0.994 547 V HN 0.757 nan 8.190 nan 0.000 0.442 548 A N 3.168 125.965 122.820 -0.038 0.000 2.386 548 A HA 0.927 5.247 4.320 -0.000 0.000 0.308 548 A C -0.974 176.572 177.584 -0.062 0.000 1.128 548 A CA -0.727 51.280 52.037 -0.049 0.000 0.789 548 A CB 2.082 21.062 19.000 -0.032 0.000 1.325 548 A HN 0.719 nan 8.150 nan 0.000 0.437 549 V N 0.477 120.343 119.914 -0.079 0.000 2.769 549 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 549 V C -0.262 175.774 176.094 -0.096 0.000 1.058 549 V CA -0.493 61.752 62.300 -0.092 0.000 0.952 549 V CB 1.784 33.548 31.823 -0.097 0.000 1.019 549 V HN 0.960 nan 8.190 nan 0.000 0.445 550 Q N 2.704 122.449 119.800 -0.092 0.000 2.282 550 Q HA 0.498 4.838 4.340 -0.000 0.000 0.260 550 Q C -1.654 174.314 176.000 -0.053 0.000 0.964 550 Q CA -0.563 55.188 55.803 -0.086 0.000 0.880 550 Q CB 1.611 30.294 28.738 -0.090 0.000 1.286 550 Q HN 0.833 nan 8.270 nan 0.000 0.445 551 C N 3.513 122.799 119.300 -0.025 0.000 2.319 551 C HA 0.688 5.147 4.460 -0.000 0.000 0.323 551 C C -0.267 174.773 174.990 0.082 0.000 1.277 551 C CA -0.851 58.242 59.018 0.124 0.000 1.517 551 C CB 0.435 28.235 27.740 0.099 0.000 2.206 551 C HN 0.560 nan 8.230 nan 0.000 0.486 552 V N 2.598 122.564 119.914 0.087 0.000 2.715 552 V HA 0.937 5.057 4.120 -0.000 0.000 0.310 552 V C 0.370 176.582 176.094 0.197 0.000 1.054 552 V CA -0.083 62.248 62.300 0.051 0.000 0.928 552 V CB 1.697 33.456 31.823 -0.106 0.000 1.007 552 V HN 1.126 nan 8.190 nan 0.000 0.437 553 A N 3.304 126.190 122.820 0.110 0.000 2.486 553 A HA 0.902 5.222 4.320 -0.000 0.000 0.277 553 A C -0.792 176.506 177.584 -0.476 0.000 1.282 553 A CA -0.830 51.212 52.037 0.009 0.000 0.784 553 A CB 0.942 19.943 19.000 0.002 0.000 1.350 553 A HN 0.701 nan 8.150 nan 0.000 0.454 554 L N 0.758 121.530 121.223 -0.752 0.000 2.466 554 L HA 0.301 4.641 4.340 -0.000 0.000 0.257 554 L C -2.051 174.362 176.870 -0.761 0.000 1.189 554 L CA -1.746 52.388 54.840 -1.177 0.000 0.813 554 L CB 0.505 41.970 42.059 -0.990 0.000 1.118 554 L HN 0.376 nan 8.230 nan 0.000 0.471 555 P HA -0.115 nan 4.420 nan 0.000 0.262 555 P C -0.838 176.247 177.300 -0.358 0.000 1.182 555 P CA 0.524 63.272 63.100 -0.587 0.000 0.761 555 P CB 0.045 31.441 31.700 -0.507 0.000 0.795 556 W N 0.603 121.832 121.300 -0.117 0.000 2.062 556 W HA -0.189 4.471 4.660 -0.000 0.000 0.257 556 W C 0.421 176.885 176.519 -0.091 0.000 1.024 556 W CA 0.000 57.296 57.345 -0.082 0.000 0.471 556 W CB -2.150 27.263 29.460 -0.079 0.000 2.039 556 W HN 0.383 nan 8.180 nan 0.000 1.321 557 Q N 0.734 120.539 119.800 0.007 0.000 2.735 557 Q HA 0.161 4.501 4.340 -0.000 0.000 0.380 557 Q C 0.930 176.927 176.000 -0.004 0.000 1.060 557 Q CA 0.281 56.074 55.803 -0.018 0.000 1.025 557 Q CB 0.633 29.324 28.738 -0.079 0.000 1.350 557 Q HN 0.352 nan 8.270 nan 0.000 0.424 558 E N 1.201 121.420 120.200 0.032 0.000 2.106 558 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 558 E C 1.764 178.406 176.600 0.071 0.000 0.984 558 E CA 1.197 57.634 56.400 0.063 0.000 0.806 558 E CB 0.326 30.095 29.700 0.115 0.000 0.750 558 E HN 0.437 nan 8.360 nan 0.000 0.458 559 E N 0.682 120.868 120.200 -0.023 0.000 2.112 559 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 559 E C 2.111 178.769 176.600 0.096 0.000 0.979 559 E CA 0.587 56.933 56.400 -0.090 0.000 0.814 559 E CB -0.482 28.834 29.700 -0.641 0.000 0.762 559 E HN 0.251 nan 8.360 nan 0.000 0.460 560 L N 1.522 122.774 121.223 0.049 0.000 2.083 560 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 560 L C 2.522 179.475 176.870 0.138 0.000 1.083 560 L CA 1.501 56.391 54.840 0.083 0.000 0.752 560 L CB -0.815 41.264 42.059 0.033 0.000 0.899 560 L HN 0.338 nan 8.230 nan 0.000 0.433 561 C N -0.802 118.575 119.300 0.128 0.000 2.432 561 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 561 C C 2.739 177.860 174.990 0.219 0.000 1.249 561 C CA 1.037 60.158 59.018 0.172 0.000 1.725 561 C CB -1.067 26.740 27.740 0.111 0.000 2.028 561 C HN 0.621 nan 8.230 nan 0.000 0.477 562 L N 0.658 122.018 121.223 0.227 0.000 2.093 562 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 562 L C 3.037 180.141 176.870 0.390 0.000 1.085 562 L CA 1.420 56.430 54.840 0.283 0.000 0.755 562 L CB -0.756 41.460 42.059 0.262 0.000 0.904 562 L HN 0.389 nan 8.230 nan 0.000 0.435 563 R N 0.287 121.026 120.500 0.398 0.000 2.083 563 R HA -0.263 4.077 4.340 -0.000 0.000 0.237 563 R C 2.363 178.754 176.300 0.150 0.000 1.137 563 R CA 2.084 58.288 56.100 0.173 0.000 0.951 563 R CB -0.766 29.603 30.300 0.115 0.000 0.851 563 R HN 0.342 nan 8.270 nan 0.000 0.434 564 F N 0.987 120.949 119.950 0.021 0.000 2.171 564 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 564 F C 2.336 178.118 175.800 -0.029 0.000 1.090 564 F CA 1.514 59.491 58.000 -0.039 0.000 1.293 564 F CB -0.014 38.960 39.000 -0.044 0.000 1.013 564 F HN 0.014 nan 8.300 nan 0.000 0.486 565 M N -0.125 119.397 119.600 -0.130 0.000 2.086 565 M HA -0.211 4.268 4.480 -0.000 0.000 0.261 565 M C 2.389 178.609 176.300 -0.133 0.000 1.067 565 M CA 1.896 57.077 55.300 -0.197 0.000 1.116 565 M CB -0.608 31.970 32.600 -0.038 0.000 1.348 565 M HN 0.091 nan 8.290 nan 0.000 0.407 566 R N 0.641 121.137 120.500 -0.008 0.000 2.096 566 R HA -0.253 4.087 4.340 -0.000 0.000 0.240 566 R C 2.006 178.275 176.300 -0.052 0.000 1.139 566 R CA 2.273 58.375 56.100 0.003 0.000 0.952 566 R CB -0.242 30.079 30.300 0.035 0.000 0.854 566 R HN 0.245 nan 8.270 nan 0.000 0.436 567 E N -0.094 120.065 120.200 -0.070 0.000 2.058 567 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 567 E C 1.877 178.392 176.600 -0.141 0.000 0.997 567 E CA 1.883 58.240 56.400 -0.071 0.000 0.801 567 E CB -0.215 29.463 29.700 -0.036 0.000 0.746 567 E HN 0.228 nan 8.360 nan 0.000 0.450 568 V N 0.752 120.487 119.914 -0.299 0.000 2.407 568 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 568 V C 2.418 178.412 176.094 -0.168 0.000 1.055 568 V CA 2.221 64.336 62.300 -0.308 0.000 1.049 568 V CB -0.548 30.954 31.823 -0.536 0.000 0.662 568 V HN 0.398 nan 8.190 nan 0.000 0.455 569 E N -0.776 119.346 120.200 -0.131 0.000 2.106 569 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 569 E C 2.352 178.926 176.600 -0.042 0.000 0.984 569 E CA 1.026 57.385 56.400 -0.069 0.000 0.806 569 E CB -0.017 29.659 29.700 -0.040 0.000 0.750 569 E HN 0.520 nan 8.360 nan 0.000 0.458 570 Q N 0.296 120.073 119.800 -0.038 0.000 1.993 570 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 570 Q C 2.438 178.429 176.000 -0.015 0.000 0.984 570 Q CA 1.256 57.049 55.803 -0.017 0.000 0.837 570 Q CB -0.212 28.521 28.738 -0.008 0.000 0.902 570 Q HN 0.388 nan 8.270 nan 0.000 0.423 571 L N -0.167 121.043 121.223 -0.022 0.000 2.275 571 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 571 L C 2.223 179.080 176.870 -0.022 0.000 1.119 571 L CA 0.509 55.341 54.840 -0.013 0.000 0.790 571 L CB -0.206 41.849 42.059 -0.006 0.000 0.919 571 L HN 0.214 nan 8.230 nan 0.000 0.443 572 M N -1.650 117.929 119.600 -0.035 0.000 2.552 572 M HA 0.144 4.624 4.480 -0.000 0.000 0.264 572 M C 0.954 177.243 176.300 -0.019 0.000 1.159 572 M CA 0.734 56.015 55.300 -0.033 0.000 1.176 572 M CB -0.393 32.176 32.600 -0.051 0.000 1.327 572 M HN 0.096 nan 8.290 nan 0.000 0.481 573 T N 0.000 114.545 114.554 -0.015 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 573 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 573 T CB 0.000 68.870 68.868 0.003 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658