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_A 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 0.000 177.585 177.584 0.002 0.000 1.274 37 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 37 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 38 R N 0.868 121.372 120.500 0.005 0.000 2.299 38 R HA 0.404 4.738 4.340 -0.009 0.000 0.197 38 R C 2.121 178.527 176.300 0.177 0.000 0.971 38 R CA 1.644 57.783 56.100 0.066 0.000 1.030 38 R CB -1.500 28.821 30.300 0.035 0.000 0.932 38 R HN 1.233 nan 8.270 nan 0.000 0.477 39 G N 0.487 109.375 108.800 0.146 0.000 2.462 39 G HA2 0.044 3.999 3.960 -0.009 0.000 0.220 39 G HA3 0.044 3.999 3.960 -0.009 0.000 0.220 39 G C 1.480 176.417 174.900 0.062 0.000 1.121 39 G CA 0.629 45.812 45.100 0.137 0.000 0.758 39 G HN 0.860 nan 8.290 nan 0.000 0.559 40 A N 0.570 123.412 122.820 0.036 0.000 2.558 40 A HA 0.533 4.848 4.320 -0.009 0.000 0.235 40 A C 1.898 179.466 177.584 -0.027 0.000 1.677 40 A CA 1.093 53.131 52.037 0.003 0.000 1.531 40 A CB -0.633 18.366 19.000 -0.002 0.000 0.841 40 A HN 0.643 nan 8.150 nan 0.000 0.631 41 A N -0.358 122.442 122.820 -0.034 0.000 2.140 41 A HA 0.124 4.438 4.320 -0.009 0.000 0.209 41 A C 2.201 179.716 177.584 -0.115 0.000 1.181 41 A CA 1.272 53.242 52.037 -0.113 0.000 0.824 41 A CB -0.619 18.312 19.000 -0.116 0.000 0.879 41 A HN 0.770 nan 8.150 nan 0.000 0.480 42 T N -1.896 112.622 114.554 -0.060 0.000 2.803 42 T HA -0.175 4.170 4.350 -0.009 0.000 0.269 42 T C 1.921 176.606 174.700 -0.026 0.000 1.052 42 T CA 1.352 63.430 62.100 -0.037 0.000 1.136 42 T CB -0.370 68.490 68.868 -0.014 0.000 0.864 42 T HN 0.401 nan 8.240 nan 0.000 0.467 43 R N 0.811 121.293 120.500 -0.030 0.000 2.148 43 R HA 0.162 4.497 4.340 -0.009 0.000 0.227 43 R C 2.627 178.916 176.300 -0.019 0.000 1.103 43 R CA 1.100 57.191 56.100 -0.015 0.000 0.983 43 R CB -0.454 29.839 30.300 -0.012 0.000 0.874 43 R HN 0.567 nan 8.270 nan 0.000 0.451 44 A N 0.011 122.778 122.820 -0.088 0.000 1.975 44 A HA -0.032 4.282 4.320 -0.009 0.000 0.215 44 A C 2.030 179.602 177.584 -0.019 0.000 1.170 44 A CA 0.458 52.413 52.037 -0.137 0.000 0.656 44 A CB -0.156 18.536 19.000 -0.514 0.000 0.821 44 A HN 0.170 nan 8.150 nan 0.000 0.449 45 R N -0.124 120.353 120.500 -0.038 0.000 2.092 45 R HA -0.182 4.153 4.340 -0.009 0.000 0.231 45 R C 2.370 178.725 176.300 0.092 0.000 1.119 45 R CA 1.792 57.923 56.100 0.051 0.000 0.970 45 R CB -0.111 30.192 30.300 0.005 0.000 0.864 45 R HN 0.785 nan 8.270 nan 0.000 0.440 46 Q N -0.228 119.613 119.800 0.067 0.000 2.187 46 Q HA -0.059 4.275 4.340 -0.009 0.000 0.199 46 Q C 1.578 177.640 176.000 0.104 0.000 0.957 46 Q CA 1.199 57.047 55.803 0.075 0.000 0.857 46 Q CB -0.099 28.671 28.738 0.052 0.000 0.929 46 Q HN 0.068 nan 8.270 nan 0.000 0.453 47 K N 0.371 120.846 120.400 0.124 0.000 2.097 47 K HA -0.172 4.142 4.320 -0.009 0.000 0.206 47 K C 2.277 178.995 176.600 0.196 0.000 1.049 47 K CA 1.521 57.904 56.287 0.159 0.000 0.933 47 K CB -0.003 32.604 32.500 0.179 0.000 0.717 47 K HN 0.414 nan 8.250 nan 0.000 0.442 48 Q N 0.180 120.126 119.800 0.244 0.000 2.079 48 Q HA -0.201 4.133 4.340 -0.009 0.000 0.200 48 Q C 2.314 178.404 176.000 0.149 0.000 0.974 48 Q CA 1.749 57.682 55.803 0.217 0.000 0.840 48 Q CB 0.018 28.942 28.738 0.312 0.000 0.898 48 Q HN 0.250 nan 8.270 nan 0.000 0.430 49 R N 0.355 120.936 120.500 0.135 0.000 2.096 49 R HA -0.037 4.298 4.340 -0.009 0.000 0.235 49 R C 2.161 178.534 176.300 0.121 0.000 1.127 49 R CA 1.686 57.853 56.100 0.112 0.000 0.968 49 R CB -1.555 28.799 30.300 0.091 0.000 0.861 49 R HN 0.520 nan 8.270 nan 0.000 0.440 50 A N 0.513 123.407 122.820 0.123 0.000 1.873 50 A HA -0.071 4.244 4.320 -0.009 0.000 0.215 50 A C 2.604 180.275 177.584 0.146 0.000 1.186 50 A CA 1.851 53.962 52.037 0.123 0.000 0.616 50 A CB -0.486 18.583 19.000 0.115 0.000 0.823 50 A HN 0.519 nan 8.150 nan 0.000 0.442 51 S N -0.370 115.432 115.700 0.170 0.000 2.382 51 S HA -0.110 4.354 4.470 -0.009 0.000 0.228 51 S C 1.736 176.434 174.600 0.164 0.000 1.027 51 S CA 1.410 59.738 58.200 0.214 0.000 0.991 51 S CB -0.326 63.011 63.200 0.230 0.000 0.823 51 S HN 0.356 nan 8.310 nan 0.000 0.469 52 L N 1.875 123.194 121.223 0.159 0.000 2.109 52 L HA -0.000 4.334 4.340 -0.009 0.000 0.207 52 L C 2.866 179.892 176.870 0.259 0.000 1.086 52 L CA 1.982 56.954 54.840 0.221 0.000 0.760 52 L CB -1.129 41.042 42.059 0.188 0.000 0.910 52 L HN 0.451 nan 8.230 nan 0.000 0.437 53 E N -1.297 119.007 120.200 0.173 0.000 2.072 53 E HA -0.192 4.152 4.350 -0.009 0.000 0.191 53 E C 2.118 178.738 176.600 0.033 0.000 0.985 53 E CA 1.749 58.214 56.400 0.110 0.000 0.801 53 E CB -1.370 28.389 29.700 0.099 0.000 0.750 53 E HN 0.545 nan 8.360 nan 0.000 0.452 54 T N 0.508 115.094 114.554 0.053 0.000 2.788 54 T HA -0.083 4.262 4.350 -0.009 0.000 0.268 54 T C 2.206 176.833 174.700 -0.121 0.000 1.044 54 T CA 1.522 63.647 62.100 0.042 0.000 1.139 54 T CB -0.268 68.707 68.868 0.177 0.000 0.867 54 T HN 0.405 nan 8.240 nan 0.000 0.454 55 M N 1.061 120.493 119.600 -0.280 0.000 2.067 55 M HA -0.109 4.365 4.480 -0.009 0.000 0.260 55 M C 2.327 178.435 176.300 -0.321 0.000 1.069 55 M CA 1.800 56.837 55.300 -0.438 0.000 1.117 55 M CB -0.464 31.969 32.600 -0.279 0.000 1.334 55 M HN 0.156 nan 8.290 nan 0.000 0.407 56 D N 0.665 120.829 120.400 -0.392 0.000 2.144 56 D HA -0.116 4.518 4.640 -0.009 0.000 0.200 56 D C 1.952 178.037 176.300 -0.358 0.000 0.978 56 D CA 1.955 55.555 54.000 -0.667 0.000 0.833 56 D CB 0.142 40.467 40.800 -0.792 0.000 0.961 56 D HN 0.218 nan 8.370 nan 0.000 0.470 57 K N -0.363 119.924 120.400 -0.188 0.000 2.487 57 K HA 0.500 4.815 4.320 -0.009 0.000 0.192 57 K C 1.711 178.284 176.600 -0.046 0.000 1.027 57 K CA 0.884 57.110 56.287 -0.101 0.000 1.054 57 K CB -0.277 32.196 32.500 -0.044 0.000 0.824 57 K HN 0.301 nan 8.250 nan 0.000 0.510 58 A N 0.330 123.139 122.820 -0.019 0.000 2.140 58 A HA 0.236 4.550 4.320 -0.009 0.000 0.209 58 A C 2.250 179.876 177.584 0.069 0.000 1.181 58 A CA 1.157 53.261 52.037 0.112 0.000 0.824 58 A CB -0.019 19.182 19.000 0.334 0.000 0.879 58 A HN 0.758 nan 8.150 nan 0.000 0.480 59 V N -3.030 116.888 119.914 0.006 0.000 3.354 59 V HA -0.000 4.114 4.120 -0.009 0.000 0.258 59 V C 1.644 177.703 176.094 -0.059 0.000 1.159 59 V CA 1.496 63.802 62.300 0.009 0.000 1.125 59 V CB -0.534 31.258 31.823 -0.052 0.000 0.774 59 V HN 0.486 nan 8.190 nan 0.000 0.464 60 Q N 0.580 120.306 119.800 -0.123 0.000 2.398 60 Q HA 0.151 4.485 4.340 -0.009 0.000 0.204 60 Q C 2.508 178.445 176.000 -0.103 0.000 0.932 60 Q CA 1.141 56.870 55.803 -0.123 0.000 0.916 60 Q CB -0.032 28.616 28.738 -0.151 0.000 1.024 60 Q HN 0.779 nan 8.270 nan 0.000 0.504 61 R N -0.039 120.405 120.500 -0.093 0.000 2.276 61 R HA -0.034 4.300 4.340 -0.009 0.000 0.203 61 R C 1.319 177.538 176.300 -0.135 0.000 1.017 61 R CA 0.833 56.874 56.100 -0.098 0.000 1.010 61 R CB -0.851 29.408 30.300 -0.069 0.000 0.900 61 R HN 0.331 nan 8.270 nan 0.000 0.469 62 F N 0.246 120.006 119.950 -0.318 0.000 2.343 62 F HA 0.155 4.677 4.527 -0.009 0.000 0.286 62 F C 2.913 178.583 175.800 -0.217 0.000 1.057 62 F CA 1.278 59.055 58.000 -0.372 0.000 1.365 62 F CB 0.189 38.803 39.000 -0.643 0.000 1.114 62 F HN 0.266 nan 8.300 nan 0.000 0.545 63 R N 1.025 121.467 120.500 -0.097 0.000 2.189 63 R HA 0.056 4.391 4.340 -0.009 0.000 0.223 63 R C 2.035 178.224 176.300 -0.185 0.000 1.092 63 R CA 1.479 57.498 56.100 -0.134 0.000 0.989 63 R CB -2.243 28.034 30.300 -0.038 0.000 0.876 63 R HN 0.434 nan 8.270 nan 0.000 0.457 64 L N -0.685 120.431 121.223 -0.178 0.000 2.044 64 L HA 0.078 4.412 4.340 -0.009 0.000 0.205 64 L C 2.893 179.642 176.870 -0.203 0.000 1.075 64 L CA 2.653 57.397 54.840 -0.160 0.000 0.747 64 L CB -1.883 40.102 42.059 -0.124 0.000 0.903 64 L HN 0.666 nan 8.230 nan 0.000 0.435 65 Q N -0.528 119.106 119.800 -0.277 0.000 2.230 65 Q HA -0.088 4.246 4.340 -0.009 0.000 0.202 65 Q C 1.252 177.030 176.000 -0.370 0.000 0.963 65 Q CA 1.439 57.062 55.803 -0.299 0.000 0.866 65 Q CB -0.761 27.791 28.738 -0.310 0.000 0.931 65 Q HN 0.886 nan 8.270 nan 0.000 0.452 66 N N 0.153 118.546 118.700 -0.513 0.000 2.904 66 N HA 0.299 5.034 4.740 -0.009 0.000 0.257 66 N C -2.397 172.945 175.510 -0.280 0.000 1.363 66 N CA -1.265 51.503 53.050 -0.469 0.000 0.856 66 N CB 1.855 39.839 38.487 -0.839 0.000 1.166 66 N HN 0.215 nan 8.380 nan 0.000 0.499 67 P HA 0.110 nan 4.420 nan 0.000 0.240 67 P C 0.515 177.762 177.300 -0.089 0.000 1.190 67 P CA 0.785 63.809 63.100 -0.125 0.000 0.781 67 P CB 0.339 31.976 31.700 -0.105 0.000 0.931 68 D N -1.070 119.279 120.400 -0.085 0.000 2.417 68 D HA 0.335 4.970 4.640 -0.009 0.000 0.207 68 D C 0.974 177.250 176.300 -0.040 0.000 1.075 68 D CA 0.102 54.068 54.000 -0.056 0.000 0.851 68 D CB -0.542 40.228 40.800 -0.050 0.000 0.976 68 D HN 0.229 nan 8.370 nan 0.000 0.505 69 L N 0.973 122.172 121.223 -0.040 0.000 2.410 69 L HA 0.552 4.887 4.340 -0.009 0.000 0.273 69 L C 0.409 177.276 176.870 -0.005 0.000 1.152 69 L CA -0.369 54.466 54.840 -0.008 0.000 0.855 69 L CB 0.308 42.384 42.059 0.028 0.000 1.129 69 L HN 0.186 nan 8.230 nan 0.000 0.463 70 D N 2.086 122.482 120.400 -0.006 0.000 2.342 70 D HA 0.250 4.884 4.640 -0.009 0.000 0.260 70 D C 1.387 177.673 176.300 -0.024 0.000 1.278 70 D CA 0.801 54.791 54.000 -0.015 0.000 0.910 70 D CB 0.987 41.777 40.800 -0.015 0.000 1.079 70 D HN 0.654 nan 8.370 nan 0.000 0.496 71 S N 3.004 118.687 115.700 -0.029 0.000 2.338 71 S HA -0.189 4.275 4.470 -0.009 0.000 0.218 71 S C 2.152 176.706 174.600 -0.077 0.000 1.032 71 S CA 1.500 59.670 58.200 -0.050 0.000 0.999 71 S CB -0.402 62.776 63.200 -0.037 0.000 0.905 71 S HN 0.712 nan 8.310 nan 0.000 0.439 72 E N 1.153 121.320 120.200 -0.055 0.000 2.072 72 E HA 0.152 4.497 4.350 -0.009 0.000 0.191 72 E C 1.934 178.502 176.600 -0.054 0.000 0.985 72 E CA 1.309 57.676 56.400 -0.054 0.000 0.801 72 E CB -0.960 28.719 29.700 -0.036 0.000 0.750 72 E HN 0.627 nan 8.360 nan 0.000 0.452 73 A N -0.365 122.429 122.820 -0.044 0.000 2.251 73 A HA 0.369 4.683 4.320 -0.009 0.000 0.209 73 A C 2.085 179.643 177.584 -0.043 0.000 1.187 73 A CA 0.548 52.565 52.037 -0.033 0.000 0.823 73 A CB -0.090 18.899 19.000 -0.019 0.000 0.846 73 A HN 0.418 nan 8.150 nan 0.000 0.486 74 L N -0.647 120.531 121.223 -0.075 0.000 2.095 74 L HA 0.001 4.335 4.340 -0.009 0.000 0.204 74 L C 2.042 178.810 176.870 -0.169 0.000 1.080 74 L CA 1.639 56.410 54.840 -0.115 0.000 0.759 74 L CB -0.535 41.431 42.059 -0.155 0.000 0.914 74 L HN 0.470 nan 8.230 nan 0.000 0.439 75 L N -0.825 120.275 121.223 -0.205 0.000 2.270 75 L HA -0.066 4.269 4.340 -0.009 0.000 0.210 75 L C 2.119 178.973 176.870 -0.027 0.000 1.104 75 L CA 1.151 55.852 54.840 -0.231 0.000 0.804 75 L CB -0.590 41.324 42.059 -0.241 0.000 0.937 75 L HN 0.278 nan 8.230 nan 0.000 0.450 76 T N -2.617 111.924 114.554 -0.022 0.000 3.107 76 T HA 0.169 4.514 4.350 -0.009 0.000 0.249 76 T C 0.566 175.281 174.700 0.026 0.000 1.096 76 T CA -0.295 61.812 62.100 0.012 0.000 1.012 76 T CB -0.134 68.733 68.868 -0.001 0.000 0.977 76 T HN -0.125 nan 8.240 nan 0.000 0.527 77 L N 3.302 124.541 121.223 0.027 0.000 2.513 77 L HA 0.331 4.666 4.340 -0.009 0.000 0.272 77 L C -2.088 174.821 176.870 0.066 0.000 1.187 77 L CA -2.040 52.825 54.840 0.041 0.000 0.895 77 L CB 0.059 42.141 42.059 0.038 0.000 1.147 77 L HN 0.029 nan 8.230 nan 0.000 0.483 78 P HA -0.056 nan 4.420 nan 0.000 0.267 78 P C 0.668 178.002 177.300 0.057 0.000 1.200 78 P CA -0.310 62.823 63.100 0.055 0.000 0.772 78 P CB 0.526 32.253 31.700 0.045 0.000 0.855 79 L N 3.486 124.738 121.223 0.050 0.000 2.079 79 L HA -0.160 4.175 4.340 -0.009 0.000 0.210 79 L C 1.780 178.671 176.870 0.034 0.000 1.081 79 L CA 1.876 56.740 54.840 0.039 0.000 0.752 79 L CB -0.956 41.109 42.059 0.011 0.000 0.896 79 L HN 0.336 nan 8.230 nan 0.000 0.433 80 L N -0.665 120.578 121.223 0.033 0.000 2.017 80 L HA -0.238 4.097 4.340 -0.009 0.000 0.208 80 L C 2.595 179.488 176.870 0.038 0.000 1.073 80 L CA 1.808 56.668 54.840 0.033 0.000 0.745 80 L CB -1.235 40.847 42.059 0.039 0.000 0.894 80 L HN 0.500 nan 8.230 nan 0.000 0.432 81 Q N -0.868 118.956 119.800 0.040 0.000 2.124 81 Q HA -0.240 4.095 4.340 -0.009 0.000 0.202 81 Q C 2.277 178.303 176.000 0.044 0.000 0.977 81 Q CA 1.210 57.037 55.803 0.039 0.000 0.850 81 Q CB -0.073 28.687 28.738 0.037 0.000 0.901 81 Q HN 0.355 nan 8.270 nan 0.000 0.429 82 L N -0.225 121.028 121.223 0.051 0.000 2.027 82 L HA -0.145 4.189 4.340 -0.009 0.000 0.206 82 L C 2.266 179.170 176.870 0.057 0.000 1.074 82 L CA 1.067 55.943 54.840 0.061 0.000 0.745 82 L CB -0.350 41.762 42.059 0.087 0.000 0.898 82 L HN 0.072 nan 8.230 nan 0.000 0.433 83 V N -0.419 119.525 119.914 0.051 0.000 2.515 83 V HA -0.274 3.841 4.120 -0.009 0.000 0.250 83 V C 2.483 178.618 176.094 0.068 0.000 1.058 83 V CA 1.949 64.284 62.300 0.057 0.000 1.064 83 V CB -0.189 31.659 31.823 0.041 0.000 0.675 83 V HN 0.835 nan 8.190 nan 0.000 0.461 84 Q N 0.259 120.091 119.800 0.054 0.000 2.119 84 Q HA -0.193 4.142 4.340 -0.009 0.000 0.201 84 Q C 2.137 178.170 176.000 0.054 0.000 0.972 84 Q CA 2.073 57.906 55.803 0.050 0.000 0.847 84 Q CB -0.564 28.198 28.738 0.039 0.000 0.903 84 Q HN 0.547 nan 8.270 nan 0.000 0.433 85 K N -0.432 120.000 120.400 0.055 0.000 2.148 85 K HA -0.058 4.256 4.320 -0.009 0.000 0.204 85 K C 1.802 178.446 176.600 0.073 0.000 1.050 85 K CA 0.846 57.166 56.287 0.055 0.000 0.942 85 K CB -0.035 32.493 32.500 0.047 0.000 0.724 85 K HN 0.234 nan 8.250 nan 0.000 0.446 86 L N 1.186 122.464 121.223 0.092 0.000 2.005 86 L HA -0.155 4.179 4.340 -0.009 0.000 0.207 86 L C 2.466 179.462 176.870 0.210 0.000 1.072 86 L CA 1.722 56.646 54.840 0.141 0.000 0.744 86 L CB -1.107 41.028 42.059 0.127 0.000 0.895 86 L HN 0.147 nan 8.230 nan 0.000 0.433 87 Q N -0.055 119.848 119.800 0.171 0.000 2.124 87 Q HA -0.155 4.180 4.340 -0.009 0.000 0.202 87 Q C 2.226 178.257 176.000 0.053 0.000 0.977 87 Q CA 1.904 57.767 55.803 0.101 0.000 0.850 87 Q CB -0.234 28.541 28.738 0.061 0.000 0.901 87 Q HN 0.545 nan 8.270 nan 0.000 0.429 88 S N -1.549 114.185 115.700 0.057 0.000 2.607 88 S HA 0.178 4.643 4.470 -0.009 0.000 0.224 88 S C 1.327 175.957 174.600 0.050 0.000 0.969 88 S CA 0.501 58.726 58.200 0.041 0.000 0.927 88 S CB -0.340 62.881 63.200 0.035 0.000 0.772 88 S HN 0.656 nan 8.310 nan 0.000 0.533 89 G N 1.042 109.888 108.800 0.077 0.000 2.166 89 G HA2 -0.341 3.613 3.960 -0.009 0.000 0.260 89 G HA3 -0.341 3.613 3.960 -0.009 0.000 0.260 89 G C 0.495 175.436 174.900 0.068 0.000 0.986 89 G CA 0.585 45.735 45.100 0.084 0.000 0.683 89 G HN 0.587 nan 8.290 nan 0.000 0.527 90 E N -1.043 119.192 120.200 0.059 0.000 2.150 90 E HA 0.102 4.447 4.350 -0.009 0.000 0.193 90 E C 0.977 177.609 176.600 0.053 0.000 0.985 90 E CA 0.541 56.970 56.400 0.048 0.000 0.814 90 E CB -0.003 29.721 29.700 0.041 0.000 0.752 90 E HN 0.628 nan 8.360 nan 0.000 0.466 91 L N 0.417 121.678 121.223 0.064 0.000 2.346 91 L HA 0.247 4.581 4.340 -0.009 0.000 0.274 91 L C 0.082 177.002 176.870 0.084 0.000 1.007 91 L CA -0.951 53.931 54.840 0.069 0.000 0.818 91 L CB 1.952 44.045 42.059 0.056 0.000 1.284 91 L HN -0.088 nan 8.230 nan 0.000 0.424 92 S N 0.877 116.632 115.700 0.091 0.000 2.585 92 S HA 0.258 4.723 4.470 -0.009 0.000 0.273 92 S C -2.003 172.626 174.600 0.049 0.000 1.339 92 S CA -0.952 57.305 58.200 0.095 0.000 1.028 92 S CB 0.810 64.084 63.200 0.123 0.000 0.906 92 S HN 0.439 nan 8.310 nan 0.000 0.528 93 P HA -0.058 nan 4.420 nan 0.000 0.218 93 P C 0.948 178.233 177.300 -0.025 0.000 1.148 93 P CA 1.095 64.121 63.100 -0.123 0.000 0.822 93 P CB 0.013 31.559 31.700 -0.256 0.000 0.784 94 E N -0.290 119.949 120.200 0.064 0.000 2.106 94 E HA -0.109 4.235 4.350 -0.009 0.000 0.192 94 E C 2.138 178.754 176.600 0.027 0.000 0.984 94 E CA 1.416 57.915 56.400 0.165 0.000 0.806 94 E CB -0.976 28.876 29.700 0.254 0.000 0.750 94 E HN 0.151 nan 8.360 nan 0.000 0.458 95 A N 0.668 123.524 122.820 0.060 0.000 1.898 95 A HA -0.131 4.183 4.320 -0.009 0.000 0.216 95 A C 2.435 179.986 177.584 -0.055 0.000 1.181 95 A CA 1.645 53.716 52.037 0.056 0.000 0.620 95 A CB -0.734 18.390 19.000 0.207 0.000 0.819 95 A HN 0.254 nan 8.150 nan 0.000 0.442 96 V N -3.650 116.250 119.914 -0.023 0.000 2.951 96 V HA 0.009 4.123 4.120 -0.009 0.000 0.255 96 V C 2.126 178.202 176.094 -0.030 0.000 1.088 96 V CA 1.519 63.802 62.300 -0.029 0.000 1.109 96 V CB -0.946 30.890 31.823 0.023 0.000 0.724 96 V HN 0.443 nan 8.190 nan 0.000 0.471 97 F N 0.786 120.592 119.950 -0.240 0.000 2.128 97 F HA 0.042 4.564 4.527 -0.009 0.000 0.295 97 F C 1.931 177.439 175.800 -0.487 0.000 1.100 97 F CA 1.863 59.620 58.000 -0.406 0.000 1.260 97 F CB -0.104 38.589 39.000 -0.512 0.000 1.009 97 F HN 0.147 nan 8.300 nan 0.000 0.476 98 F N 0.306 119.896 119.950 -0.601 0.000 2.416 98 F HA -0.083 4.438 4.527 -0.009 0.000 0.296 98 F C 2.378 177.875 175.800 -0.506 0.000 1.099 98 F CA 1.372 58.926 58.000 -0.744 0.000 1.427 98 F CB -0.706 37.676 39.000 -1.030 0.000 1.079 98 F HN -0.135 nan 8.300 nan 0.000 0.536 99 T N -1.170 113.241 114.554 -0.239 0.000 2.821 99 T HA -0.207 4.138 4.350 -0.009 0.000 0.267 99 T C 1.542 176.062 174.700 -0.300 0.000 1.046 99 T CA 1.305 63.279 62.100 -0.210 0.000 1.139 99 T CB -0.492 68.248 68.868 -0.213 0.000 0.871 99 T HN 0.157 nan 8.240 nan 0.000 0.454 100 Y N 0.889 121.007 120.300 -0.304 0.000 2.242 100 Y HA 0.139 4.683 4.550 -0.009 0.000 0.291 100 Y C 2.218 177.905 175.900 -0.354 0.000 1.137 100 Y CA 0.025 57.923 58.100 -0.336 0.000 1.181 100 Y CB -0.460 37.726 38.460 -0.457 0.000 0.989 100 Y HN 0.124 nan 8.280 nan 0.000 0.527 101 L N -1.103 119.869 121.223 -0.419 0.000 2.141 101 L HA -0.147 4.187 4.340 -0.009 0.000 0.209 101 L C 2.347 179.164 176.870 -0.088 0.000 1.094 101 L CA 1.556 56.186 54.840 -0.351 0.000 0.763 101 L CB -0.920 40.676 42.059 -0.772 0.000 0.908 101 L HN 0.366 nan 8.230 nan 0.000 0.437 102 G N -0.300 108.452 108.800 -0.081 0.000 2.404 102 G HA2 -0.312 3.643 3.960 -0.009 0.000 0.215 102 G HA3 -0.312 3.643 3.960 -0.009 0.000 0.215 102 G C 1.611 176.590 174.900 0.132 0.000 1.174 102 G CA 0.664 45.779 45.100 0.025 0.000 0.780 102 G HN 0.166 nan 8.290 nan 0.000 0.537 103 K N 1.144 121.584 120.400 0.067 0.000 2.217 103 K HA 0.252 4.567 4.320 -0.009 0.000 0.202 103 K C 2.593 179.279 176.600 0.143 0.000 1.051 103 K CA 1.220 57.562 56.287 0.093 0.000 0.952 103 K CB -0.566 31.958 32.500 0.039 0.000 0.736 103 K HN 0.172 nan 8.250 nan 0.000 0.453 104 A N -0.277 122.654 122.820 0.185 0.000 1.858 104 A HA -0.159 4.156 4.320 -0.009 0.000 0.216 104 A C 2.169 179.845 177.584 0.154 0.000 1.190 104 A CA 1.523 53.684 52.037 0.206 0.000 0.617 104 A CB -1.268 17.947 19.000 0.358 0.000 0.827 104 A HN 0.614 nan 8.150 nan 0.000 0.443 105 W N 0.675 121.976 121.300 0.002 0.000 2.318 105 W HA -0.233 4.422 4.660 -0.009 0.000 0.313 105 W C 2.095 178.606 176.519 -0.014 0.000 1.221 105 W CA 2.238 59.569 57.345 -0.024 0.000 1.266 105 W CB -0.127 29.303 29.460 -0.051 0.000 1.150 105 W HN 0.489 nan 8.180 nan 0.000 0.496 106 E N -0.614 119.709 120.200 0.206 0.000 2.106 106 E HA -0.221 4.124 4.350 -0.009 0.000 0.192 106 E C 2.141 178.680 176.600 -0.101 0.000 0.984 106 E CA 2.220 58.662 56.400 0.070 0.000 0.806 106 E CB -0.267 29.536 29.700 0.173 0.000 0.750 106 E HN 0.299 nan 8.360 nan 0.000 0.458 107 V N -0.979 118.901 119.914 -0.057 0.000 3.052 107 V HA 0.011 4.125 4.120 -0.009 0.000 0.254 107 V C 1.704 177.737 176.094 -0.103 0.000 1.100 107 V CA 1.483 63.744 62.300 -0.065 0.000 1.112 107 V CB -0.381 31.432 31.823 -0.016 0.000 0.738 107 V HN 0.133 nan 8.190 nan 0.000 0.469 108 N N 1.145 119.757 118.700 -0.147 0.000 2.309 108 N HA -0.137 4.597 4.740 -0.009 0.000 0.182 108 N C 1.744 177.110 175.510 -0.239 0.000 1.018 108 N CA 1.465 54.410 53.050 -0.175 0.000 0.876 108 N CB -0.394 37.985 38.487 -0.180 0.000 0.972 108 N HN 0.546 nan 8.380 nan 0.000 0.434 109 K N -0.705 119.484 120.400 -0.351 0.000 2.103 109 K HA -0.089 4.226 4.320 -0.009 0.000 0.207 109 K C 1.890 178.382 176.600 -0.180 0.000 1.048 109 K CA 1.398 57.489 56.287 -0.326 0.000 0.930 109 K CB -0.362 31.891 32.500 -0.411 0.000 0.716 109 K HN 0.355 nan 8.250 nan 0.000 0.444 110 G N 0.237 108.954 108.800 -0.138 0.000 2.425 110 G HA2 -0.208 3.747 3.960 -0.009 0.000 0.213 110 G HA3 -0.208 3.747 3.960 -0.009 0.000 0.213 110 G C 1.586 176.449 174.900 -0.062 0.000 1.201 110 G CA 1.313 46.363 45.100 -0.084 0.000 0.799 110 G HN 0.425 nan 8.290 nan 0.000 0.534 111 T N -2.004 112.515 114.554 -0.059 0.000 3.035 111 T HA 0.058 4.403 4.350 -0.009 0.000 0.259 111 T C 1.130 175.813 174.700 -0.029 0.000 1.078 111 T CA 0.639 62.723 62.100 -0.028 0.000 1.132 111 T CB -0.203 68.659 68.868 -0.011 0.000 0.900 111 T HN 0.310 nan 8.240 nan 0.000 0.480 112 N N 0.638 119.305 118.700 -0.054 0.000 2.642 112 N HA -0.193 4.541 4.740 -0.009 0.000 0.269 112 N C 0.592 176.078 175.510 -0.040 0.000 1.073 112 N CA 0.615 53.636 53.050 -0.048 0.000 0.748 112 N CB -1.584 36.890 38.487 -0.022 0.000 0.894 112 N HN 0.780 nan 8.380 nan 0.000 0.548 113 C N -2.370 116.895 119.300 -0.058 0.000 3.019 113 C HA 0.506 4.960 4.460 -0.009 0.000 0.295 113 C C 0.815 175.745 174.990 -0.100 0.000 1.256 113 C CA -0.388 58.596 59.018 -0.056 0.000 1.706 113 C CB -0.649 27.071 27.740 -0.034 0.000 2.153 113 C HN 0.257 nan 8.230 nan 0.000 0.618 114 V N 2.458 122.301 119.914 -0.118 0.000 2.370 114 V HA 0.323 4.437 4.120 -0.009 0.000 0.279 114 V C 1.001 176.964 176.094 -0.218 0.000 1.029 114 V CA 0.575 62.788 62.300 -0.145 0.000 0.870 114 V CB 1.259 33.024 31.823 -0.098 0.000 0.984 114 V HN 0.477 nan 8.190 nan 0.000 0.451 115 T N 2.646 117.016 114.554 -0.308 0.000 2.953 115 T HA 0.122 4.467 4.350 -0.009 0.000 0.247 115 T C 0.624 175.124 174.700 -0.333 0.000 1.029 115 T CA 1.105 62.834 62.100 -0.619 0.000 1.144 115 T CB 0.262 68.737 68.868 -0.655 0.000 0.870 115 T HN 0.835 nan 8.240 nan 0.000 0.446 116 S N -0.408 115.219 115.700 -0.123 0.000 2.587 116 S HA 0.532 4.997 4.470 -0.009 0.000 0.269 116 S C -1.885 172.711 174.600 -0.006 0.000 1.154 116 S CA -1.052 57.159 58.200 0.019 0.000 0.824 116 S CB 1.129 64.403 63.200 0.124 0.000 1.118 116 S HN 0.321 nan 8.310 nan 0.000 0.462 117 Y N 1.884 122.137 120.300 -0.078 0.000 2.335 117 Y HA 0.674 5.218 4.550 -0.009 0.000 0.338 117 Y C -1.041 174.763 175.900 -0.160 0.000 0.977 117 Y CA -1.116 56.920 58.100 -0.107 0.000 1.114 117 Y CB 1.157 39.631 38.460 0.024 0.000 1.182 117 Y HN 0.754 nan 8.280 nan 0.000 0.463 118 L N 7.133 127.870 121.223 -0.811 0.000 2.334 118 L HA 0.155 4.490 4.340 -0.009 0.000 0.286 118 L C 1.411 177.857 176.870 -0.705 0.000 1.108 118 L CA -0.040 54.224 54.840 -0.960 0.000 0.875 118 L CB 0.584 41.826 42.059 -1.361 0.000 1.246 118 L HN 0.922 nan 8.230 nan 0.000 0.439 119 T N -1.909 112.455 114.554 -0.317 0.000 2.833 119 T HA -0.192 4.152 4.350 -0.009 0.000 0.269 119 T C 0.972 175.606 174.700 -0.109 0.000 1.054 119 T CA 1.252 63.224 62.100 -0.213 0.000 1.135 119 T CB -0.416 68.483 68.868 0.051 0.000 0.869 119 T HN 0.715 nan 8.240 nan 0.000 0.466 120 D N 1.610 122.007 120.400 -0.005 0.000 2.413 120 D HA 0.170 4.805 4.640 -0.009 0.000 0.237 120 D C 1.085 177.367 176.300 -0.030 0.000 1.171 120 D CA -0.409 53.606 54.000 0.025 0.000 0.839 120 D CB -1.179 39.676 40.800 0.092 0.000 0.950 120 D HN 0.750 nan 8.370 nan 0.000 0.499 121 C N -1.357 117.855 119.300 -0.147 0.000 2.560 121 C HA 0.450 4.904 4.460 -0.009 0.000 0.334 121 C C 1.509 176.359 174.990 -0.234 0.000 1.404 121 C CA -0.332 58.527 59.018 -0.264 0.000 2.410 121 C CB 0.713 28.211 27.740 -0.403 0.000 2.268 121 C HN 0.615 nan 8.230 nan 0.000 0.673 122 E N -1.385 118.583 120.200 -0.387 0.000 5.003 122 E HA -0.331 4.013 4.350 -0.009 0.000 0.166 122 E C 1.468 178.012 176.600 -0.093 0.000 1.244 122 E CA 2.147 58.434 56.400 -0.188 0.000 2.281 122 E CB -2.081 27.643 29.700 0.040 0.000 1.825 122 E HN 1.003 nan 8.360 nan 0.000 0.420 123 T N -1.327 113.189 114.554 -0.064 0.000 2.951 123 T HA -0.095 4.250 4.350 -0.009 0.000 0.268 123 T C 1.717 176.379 174.700 -0.064 0.000 1.073 123 T CA 1.494 63.570 62.100 -0.040 0.000 1.134 123 T CB 0.023 68.883 68.868 -0.013 0.000 0.884 123 T HN 0.123 nan 8.240 nan 0.000 0.479 124 Q N 0.906 120.643 119.800 -0.106 0.000 2.172 124 Q HA 0.217 4.551 4.340 -0.009 0.000 0.200 124 Q C 2.054 177.967 176.000 -0.145 0.000 0.964 124 Q CA 1.017 56.751 55.803 -0.115 0.000 0.855 124 Q CB -0.702 27.962 28.738 -0.123 0.000 0.918 124 Q HN 0.586 nan 8.270 nan 0.000 0.444 125 L N -0.546 120.549 121.223 -0.213 0.000 2.056 125 L HA -0.163 4.172 4.340 -0.009 0.000 0.207 125 L C 2.261 179.080 176.870 -0.086 0.000 1.078 125 L CA 1.358 56.074 54.840 -0.207 0.000 0.749 125 L CB -0.399 41.498 42.059 -0.270 0.000 0.901 125 L HN 0.164 nan 8.230 nan 0.000 0.433 126 S N -0.685 114.985 115.700 -0.050 0.000 2.368 126 S HA -0.210 4.254 4.470 -0.009 0.000 0.225 126 S C 1.515 176.124 174.600 0.014 0.000 1.030 126 S CA 1.609 59.808 58.200 -0.002 0.000 0.999 126 S CB -0.413 62.788 63.200 0.003 0.000 0.844 126 S HN 0.599 nan 8.310 nan 0.000 0.459 127 Q N 0.053 119.852 119.800 -0.001 0.000 2.824 127 Q HA 0.763 5.097 4.340 -0.009 0.000 0.371 127 Q C -0.339 175.670 176.000 0.015 0.000 1.071 127 Q CA -0.138 55.671 55.803 0.010 0.000 1.064 127 Q CB 0.242 28.977 28.738 -0.005 0.000 1.332 127 Q HN 0.536 nan 8.270 nan 0.000 0.445 128 A N 1.814 124.669 122.820 0.058 0.000 2.288 128 A HA 0.831 5.146 4.320 -0.009 0.000 0.320 128 A C -2.613 175.092 177.584 0.202 0.000 1.217 128 A CA -1.737 50.362 52.037 0.102 0.000 0.840 128 A CB 0.788 19.820 19.000 0.053 0.000 1.179 128 A HN 0.458 nan 8.150 nan 0.000 0.504 129 P HA 0.238 nan 4.420 nan 0.000 0.276 129 P C 0.697 178.018 177.300 0.036 0.000 1.243 129 P CA -0.381 62.760 63.100 0.067 0.000 0.768 129 P CB 0.789 32.511 31.700 0.036 0.000 0.856 130 R N 2.902 123.276 120.500 -0.210 0.000 2.075 130 R HA -0.142 4.193 4.340 -0.009 0.000 0.232 130 R C 2.285 178.387 176.300 -0.331 0.000 1.126 130 R CA 1.999 57.718 56.100 -0.636 0.000 0.963 130 R CB -0.563 29.374 30.300 -0.605 0.000 0.858 130 R HN 0.605 nan 8.270 nan 0.000 0.435 131 Q N 0.335 120.044 119.800 -0.153 0.000 2.472 131 Q HA 0.093 4.428 4.340 -0.009 0.000 0.208 131 Q C 0.881 176.868 176.000 -0.022 0.000 0.958 131 Q CA 0.865 56.621 55.803 -0.078 0.000 0.932 131 Q CB -0.474 28.234 28.738 -0.050 0.000 1.007 131 Q HN 0.490 nan 8.270 nan 0.000 0.508 132 G N 0.126 108.931 108.800 0.009 0.000 2.432 132 G HA2 0.320 4.275 3.960 -0.009 0.000 0.239 132 G HA3 0.320 4.275 3.960 -0.009 0.000 0.239 132 G C 0.557 175.488 174.900 0.051 0.000 1.291 132 G CA -0.493 44.634 45.100 0.045 0.000 0.863 132 G HN 0.289 nan 8.290 nan 0.000 0.560 133 L N 1.638 122.877 121.223 0.027 0.000 2.610 133 L HA 0.222 4.557 4.340 -0.009 0.000 0.232 133 L C 1.579 178.460 176.870 0.018 0.000 1.149 133 L CA 0.877 55.725 54.840 0.013 0.000 0.872 133 L CB -0.768 41.279 42.059 -0.020 0.000 0.992 133 L HN 0.471 nan 8.230 nan 0.000 0.447 134 L N -2.182 119.063 121.223 0.036 0.000 3.193 134 L HA 0.076 4.410 4.340 -0.009 0.000 0.305 134 L C 1.324 178.228 176.870 0.056 0.000 1.299 134 L CA -0.199 54.656 54.840 0.024 0.000 0.904 134 L CB 0.194 42.242 42.059 -0.017 0.000 1.331 134 L HN 0.057 nan 8.230 nan 0.000 0.588 135 Y N 0.840 121.127 120.300 -0.022 0.000 2.165 135 Y HA -0.200 4.344 4.550 -0.009 0.000 0.286 135 Y C 1.941 177.829 175.900 -0.020 0.000 1.155 135 Y CA 2.027 60.115 58.100 -0.020 0.000 1.164 135 Y CB 0.334 38.787 38.460 -0.011 0.000 0.978 135 Y HN 0.281 nan 8.280 nan 0.000 0.513 136 G N -0.429 108.235 108.800 -0.228 0.000 2.744 136 G HA2 0.086 4.040 3.960 -0.009 0.000 0.211 136 G HA3 0.086 4.040 3.960 -0.009 0.000 0.211 136 G C -0.114 174.676 174.900 -0.183 0.000 1.146 136 G CA 0.240 45.143 45.100 -0.329 0.000 0.787 136 G HN 0.131 nan 8.290 nan 0.000 0.534 137 V N 3.625 123.471 119.914 -0.113 0.000 2.427 137 V HA 0.229 4.344 4.120 -0.009 0.000 0.268 137 V C -1.898 174.140 176.094 -0.092 0.000 1.046 137 V CA -1.702 60.546 62.300 -0.086 0.000 0.970 137 V CB 1.215 32.998 31.823 -0.066 0.000 1.001 137 V HN 0.103 nan 8.190 nan 0.000 0.476 138 P HA 0.281 nan 4.420 nan 0.000 0.281 138 P C -0.764 176.568 177.300 0.054 0.000 1.252 138 P CA -0.079 62.971 63.100 -0.084 0.000 0.778 138 P CB 1.282 32.741 31.700 -0.402 0.000 0.895 139 V N 0.899 120.959 119.914 0.242 0.000 2.555 139 V HA 0.612 4.726 4.120 -0.009 0.000 0.302 139 V C 0.389 176.523 176.094 0.067 0.000 1.038 139 V CA -0.988 61.391 62.300 0.131 0.000 0.887 139 V CB 1.331 33.141 31.823 -0.022 0.000 0.991 139 V HN 0.628 nan 8.190 nan 0.000 0.434 140 S N 4.677 120.328 115.700 -0.083 0.000 2.554 140 S HA 0.783 5.247 4.470 -0.009 0.000 0.278 140 S C -0.587 173.876 174.600 -0.229 0.000 1.242 140 S CA -0.702 57.303 58.200 -0.326 0.000 1.051 140 S CB 0.998 64.012 63.200 -0.310 0.000 0.986 140 S HN 0.663 nan 8.310 nan 0.000 0.502 141 L N 2.264 123.353 121.223 -0.222 0.000 2.322 141 L HA 0.508 4.842 4.340 -0.009 0.000 0.281 141 L C 0.388 177.329 176.870 0.117 0.000 1.014 141 L CA -0.901 53.903 54.840 -0.059 0.000 0.815 141 L CB 1.585 43.655 42.059 0.018 0.000 1.247 141 L HN 0.732 nan 8.230 nan 0.000 0.421 142 K N 1.925 122.461 120.400 0.226 0.000 2.489 142 K HA -0.067 4.247 4.320 -0.009 0.000 0.278 142 K C 1.063 177.810 176.600 0.244 0.000 1.000 142 K CA 0.211 56.653 56.287 0.259 0.000 1.012 142 K CB 0.695 33.413 32.500 0.363 0.000 0.903 142 K HN 0.625 nan 8.250 nan 0.000 0.485 143 E N 2.414 122.614 120.200 -0.001 0.000 2.171 143 E HA -0.273 4.071 4.350 -0.009 0.000 0.197 143 E C 1.669 178.100 176.600 -0.282 0.000 0.997 143 E CA 1.817 58.017 56.400 -0.332 0.000 0.810 143 E CB -0.082 29.478 29.700 -0.233 0.000 0.738 143 E HN 0.865 nan 8.360 nan 0.000 0.467 144 C N -0.174 119.061 119.300 -0.109 0.000 2.419 144 C HA -0.009 4.445 4.460 -0.009 0.000 0.283 144 C C 1.170 176.064 174.990 -0.160 0.000 1.373 144 C CA -0.651 58.281 59.018 -0.143 0.000 1.781 144 C CB -1.631 25.990 27.740 -0.197 0.000 1.886 144 C HN 0.075 nan 8.230 nan 0.000 0.520 145 F N 4.039 124.019 119.950 0.051 0.000 2.490 145 F HA 0.260 4.782 4.527 -0.009 0.000 0.357 145 F C 1.318 177.236 175.800 0.196 0.000 1.166 145 F CA 0.216 58.288 58.000 0.120 0.000 1.116 145 F CB -0.057 39.025 39.000 0.136 0.000 1.171 145 F HN 0.270 nan 8.300 nan 0.000 0.576 146 S N 3.819 119.676 115.700 0.261 0.000 2.549 146 S HA 0.274 4.738 4.470 -0.009 0.000 0.283 146 S C -0.991 173.798 174.600 0.315 0.000 1.320 146 S CA -0.487 57.866 58.200 0.254 0.000 1.058 146 S CB 0.637 63.926 63.200 0.148 0.000 0.882 146 S HN 0.575 nan 8.310 nan 0.000 0.498 147 Y N 0.716 121.147 120.300 0.218 0.000 2.421 147 Y HA 0.493 5.038 4.550 -0.009 0.000 0.339 147 Y C 0.120 176.130 175.900 0.184 0.000 0.996 147 Y CA -0.672 57.517 58.100 0.149 0.000 1.046 147 Y CB 0.993 39.475 38.460 0.038 0.000 1.226 147 Y HN 0.989 nan 8.280 nan 0.000 0.445 148 K N 2.774 123.158 120.400 -0.027 0.000 2.472 148 K HA 0.434 4.748 4.320 -0.009 0.000 0.280 148 K C 0.950 177.680 176.600 0.217 0.000 1.028 148 K CA 0.327 56.649 56.287 0.058 0.000 1.045 148 K CB -0.612 31.844 32.500 -0.073 0.000 0.902 148 K HN 1.802 nan 8.250 nan 0.000 0.478 149 G N 1.940 110.818 108.800 0.130 0.000 2.176 149 G HA2 -0.177 3.778 3.960 -0.009 0.000 0.252 149 G HA3 -0.177 3.778 3.960 -0.009 0.000 0.252 149 G C -0.011 174.823 174.900 -0.110 0.000 1.024 149 G CA 0.474 45.591 45.100 0.028 0.000 0.755 149 G HN 1.083 nan 8.290 nan 0.000 0.507 150 H N -0.765 118.411 119.070 0.176 0.000 2.961 150 H HA 0.334 4.884 4.556 -0.009 0.000 0.371 150 H C -1.129 174.305 175.328 0.177 0.000 1.190 150 H CA -0.905 55.261 56.048 0.197 0.000 1.138 150 H CB 1.884 31.808 29.762 0.270 0.000 1.816 150 H HN 0.119 nan 8.280 nan 0.000 0.551 151 D N 0.769 121.334 120.400 0.275 0.000 2.343 151 D HA 0.052 4.687 4.640 -0.009 0.000 0.255 151 D C -0.077 176.302 176.300 0.132 0.000 1.187 151 D CA 0.381 54.487 54.000 0.178 0.000 0.875 151 D CB 0.814 41.717 40.800 0.171 0.000 1.136 151 D HN 0.244 nan 8.370 nan 0.000 0.469 152 S N 1.582 117.328 115.700 0.078 0.000 3.334 152 S HA 0.120 4.585 4.470 -0.009 0.000 0.188 152 S C 0.159 174.767 174.600 0.015 0.000 1.404 152 S CA -0.689 57.509 58.200 -0.002 0.000 1.040 152 S CB -0.294 62.914 63.200 0.014 0.000 1.352 152 S HN 0.527 nan 8.310 nan 0.000 0.501 153 T N 0.747 115.328 114.554 0.045 0.000 2.919 153 T HA 0.213 4.558 4.350 -0.009 0.000 0.302 153 T C 0.835 175.551 174.700 0.027 0.000 1.031 153 T CA -0.561 61.564 62.100 0.042 0.000 1.127 153 T CB 0.440 69.359 68.868 0.085 0.000 0.952 153 T HN 0.138 nan 8.240 nan 0.000 0.540 154 L N 2.928 124.143 121.223 -0.014 0.000 2.611 154 L HA 0.388 4.723 4.340 -0.009 0.000 0.229 154 L C 1.998 178.876 176.870 0.013 0.000 1.137 154 L CA 0.925 55.756 54.840 -0.015 0.000 0.901 154 L CB -0.727 41.300 42.059 -0.054 0.000 1.098 154 L HN 1.237 nan 8.230 nan 0.000 0.456 155 G N -0.917 107.901 108.800 0.029 0.000 2.148 155 G HA2 -0.149 3.805 3.960 -0.009 0.000 0.157 155 G HA3 -0.149 3.805 3.960 -0.009 0.000 0.157 155 G C -0.380 174.491 174.900 -0.048 0.000 1.012 155 G CA -0.564 44.555 45.100 0.031 0.000 0.677 155 G HN 0.054 nan 8.290 nan 0.000 0.506 156 L N 1.385 122.554 121.223 -0.090 0.000 2.356 156 L HA 0.644 4.979 4.340 -0.009 0.000 0.277 156 L C 1.567 178.373 176.870 -0.106 0.000 0.996 156 L CA 0.076 54.824 54.840 -0.152 0.000 0.822 156 L CB 1.412 43.329 42.059 -0.238 0.000 1.256 156 L HN 0.048 nan 8.230 nan 0.000 0.413 157 S N 2.445 118.093 115.700 -0.087 0.000 2.419 157 S HA -0.156 4.308 4.470 -0.009 0.000 0.233 157 S C 1.727 176.289 174.600 -0.063 0.000 1.016 157 S CA 0.671 58.836 58.200 -0.060 0.000 0.974 157 S CB -0.195 62.989 63.200 -0.027 0.000 0.786 157 S HN 0.576 nan 8.310 nan 0.000 0.492 158 L N 2.845 124.015 121.223 -0.088 0.000 2.021 158 L HA -0.202 4.133 4.340 -0.009 0.000 0.215 158 L C 0.751 177.591 176.870 -0.051 0.000 1.074 158 L CA 1.887 56.680 54.840 -0.078 0.000 0.760 158 L CB -0.934 41.056 42.059 -0.114 0.000 0.889 158 L HN 0.348 nan 8.230 nan 0.000 0.433 159 N N -1.351 117.318 118.700 -0.052 0.000 2.279 159 N HA 0.024 4.758 4.740 -0.009 0.000 0.226 159 N C 0.983 176.491 175.510 -0.003 0.000 1.126 159 N CA 0.242 53.280 53.050 -0.020 0.000 0.846 159 N CB 0.286 38.764 38.487 -0.015 0.000 1.050 159 N HN 0.302 nan 8.380 nan 0.000 0.502 160 E N 0.976 121.166 120.200 -0.016 0.000 2.385 160 E HA 0.079 4.423 4.350 -0.009 0.000 0.194 160 E C 1.769 178.372 176.600 0.005 0.000 1.013 160 E CA 0.509 56.904 56.400 -0.009 0.000 0.866 160 E CB -0.300 29.375 29.700 -0.043 0.000 0.832 160 E HN 0.303 nan 8.360 nan 0.000 0.500 161 G N 1.440 110.241 108.800 0.002 0.000 2.666 161 G HA2 -0.133 3.822 3.960 -0.009 0.000 0.215 161 G HA3 -0.133 3.822 3.960 -0.009 0.000 0.215 161 G C 0.834 175.746 174.900 0.019 0.000 1.294 161 G CA 1.452 46.556 45.100 0.008 0.000 0.811 161 G HN 0.351 nan 8.290 nan 0.000 0.594 162 M N 1.531 121.145 119.600 0.024 0.000 2.129 162 M HA 0.505 4.979 4.480 -0.009 0.000 0.348 162 M C -2.988 173.338 176.300 0.045 0.000 1.116 162 M CA -3.694 51.623 55.300 0.028 0.000 1.022 162 M CB 1.138 33.752 32.600 0.023 0.000 1.599 162 M HN -0.066 nan 8.290 nan 0.000 0.449 163 P HA 0.242 nan 4.420 nan 0.000 0.274 163 P C -0.730 176.612 177.300 0.071 0.000 1.237 163 P CA -0.191 62.948 63.100 0.065 0.000 0.793 163 P CB 0.321 32.039 31.700 0.030 0.000 0.977 164 S N -0.161 115.602 115.700 0.106 0.000 2.564 164 S HA 0.271 4.736 4.470 -0.009 0.000 0.278 164 S C 1.712 176.348 174.600 0.060 0.000 1.333 164 S CA -0.013 58.240 58.200 0.088 0.000 1.048 164 S CB 0.348 63.620 63.200 0.119 0.000 0.900 164 S HN 0.635 nan 8.310 nan 0.000 0.505 165 E N 1.649 121.870 120.200 0.036 0.000 2.072 165 E HA -0.008 4.337 4.350 -0.009 0.000 0.191 165 E C 1.043 177.646 176.600 0.005 0.000 0.985 165 E CA 1.360 57.771 56.400 0.017 0.000 0.801 165 E CB -0.191 29.515 29.700 0.009 0.000 0.750 165 E HN 0.689 nan 8.360 nan 0.000 0.452 166 S N -0.399 115.303 115.700 0.003 0.000 2.569 166 S HA 0.454 4.919 4.470 -0.009 0.000 0.280 166 S C -1.739 172.841 174.600 -0.034 0.000 1.111 166 S CA -0.712 57.472 58.200 -0.026 0.000 0.887 166 S CB 1.733 64.918 63.200 -0.024 0.000 1.095 166 S HN 0.188 nan 8.310 nan 0.000 0.476 167 D N 2.166 122.504 120.400 -0.104 0.000 2.425 167 D HA 0.226 4.860 4.640 -0.009 0.000 0.247 167 D C 0.754 177.034 176.300 -0.033 0.000 1.147 167 D CA -0.044 53.876 54.000 -0.135 0.000 0.879 167 D CB 0.308 40.950 40.800 -0.264 0.000 1.179 167 D HN 0.757 nan 8.370 nan 0.000 0.456 168 C N 1.115 120.439 119.300 0.040 0.000 2.705 168 C HA 0.179 4.633 4.460 -0.009 0.000 0.382 168 C C 2.102 177.135 174.990 0.071 0.000 1.322 168 C CA -0.853 58.214 59.018 0.082 0.000 2.290 168 C CB 0.197 28.034 27.740 0.161 0.000 2.650 168 C HN 0.500 nan 8.230 nan 0.000 0.695 169 V N 2.662 122.622 119.914 0.077 0.000 2.287 169 V HA -0.188 3.926 4.120 -0.009 0.000 0.248 169 V C 2.554 178.682 176.094 0.056 0.000 1.053 169 V CA 2.727 65.061 62.300 0.057 0.000 1.027 169 V CB -0.635 31.226 31.823 0.062 0.000 0.646 169 V HN 0.995 nan 8.190 nan 0.000 0.447 170 V N -2.891 117.084 119.914 0.101 0.000 2.667 170 V HA -0.083 4.032 4.120 -0.009 0.000 0.252 170 V C 2.169 178.273 176.094 0.018 0.000 1.065 170 V CA 1.464 63.805 62.300 0.068 0.000 1.083 170 V CB -0.521 31.370 31.823 0.112 0.000 0.692 170 V HN 0.288 nan 8.190 nan 0.000 0.468 171 V N 0.205 120.144 119.914 0.042 0.000 2.379 171 V HA -0.246 3.869 4.120 -0.009 0.000 0.245 171 V C 2.811 178.885 176.094 -0.032 0.000 1.044 171 V CA 2.368 64.674 62.300 0.009 0.000 1.036 171 V CB -0.611 31.250 31.823 0.064 0.000 0.664 171 V HN 0.540 nan 8.190 nan 0.000 0.453 172 Q N -0.502 119.275 119.800 -0.038 0.000 2.077 172 Q HA -0.229 4.106 4.340 -0.009 0.000 0.206 172 Q C 2.383 178.340 176.000 -0.071 0.000 0.989 172 Q CA 2.440 58.203 55.803 -0.066 0.000 0.853 172 Q CB -0.379 28.326 28.738 -0.055 0.000 0.907 172 Q HN 0.682 nan 8.270 nan 0.000 0.418 173 V N -1.138 118.748 119.914 -0.046 0.000 2.548 173 V HA -0.159 3.956 4.120 -0.009 0.000 0.249 173 V C 1.862 177.933 176.094 -0.039 0.000 1.055 173 V CA 1.242 63.517 62.300 -0.041 0.000 1.065 173 V CB -0.380 31.431 31.823 -0.020 0.000 0.681 173 V HN 0.323 nan 8.190 nan 0.000 0.462 174 L N -0.130 121.067 121.223 -0.042 0.000 2.046 174 L HA -0.146 4.189 4.340 -0.009 0.000 0.208 174 L C 2.895 179.742 176.870 -0.038 0.000 1.077 174 L CA 2.245 57.058 54.840 -0.044 0.000 0.747 174 L CB -0.559 41.466 42.059 -0.056 0.000 0.896 174 L HN 0.294 nan 8.230 nan 0.000 0.432 175 K N -0.019 120.354 120.400 -0.046 0.000 2.097 175 K HA -0.128 4.187 4.320 -0.009 0.000 0.206 175 K C 1.954 178.521 176.600 -0.055 0.000 1.049 175 K CA 1.119 57.375 56.287 -0.051 0.000 0.933 175 K CB -0.121 32.339 32.500 -0.067 0.000 0.717 175 K HN 0.258 nan 8.250 nan 0.000 0.442 176 L N 0.263 121.438 121.223 -0.079 0.000 2.478 176 L HA -0.086 4.249 4.340 -0.009 0.000 0.223 176 L C 1.825 178.685 176.870 -0.018 0.000 1.140 176 L CA 0.558 55.337 54.840 -0.102 0.000 0.842 176 L CB 0.016 41.914 42.059 -0.269 0.000 0.953 176 L HN 0.066 nan 8.230 nan 0.000 0.452 177 Q N -0.075 119.725 119.800 0.000 0.000 2.246 177 Q HA 0.179 4.514 4.340 -0.009 0.000 0.202 177 Q C 1.280 177.305 176.000 0.041 0.000 0.883 177 Q CA 0.591 56.409 55.803 0.025 0.000 0.952 177 Q CB 0.452 29.194 28.738 0.006 0.000 1.078 177 Q HN 0.349 nan 8.270 nan 0.000 0.493 178 G N -1.198 107.628 108.800 0.043 0.000 2.176 178 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.253 178 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.253 178 G C 0.263 175.157 174.900 -0.010 0.000 0.979 178 G CA 0.073 45.221 45.100 0.080 0.000 0.641 178 G HN 0.632 nan 8.290 nan 0.000 0.530 179 A N -0.468 122.336 122.820 -0.027 0.000 2.304 179 A HA 0.725 5.040 4.320 -0.009 0.000 0.271 179 A C 0.363 177.909 177.584 -0.063 0.000 1.091 179 A CA 0.403 52.409 52.037 -0.052 0.000 0.812 179 A CB 1.238 20.213 19.000 -0.042 0.000 1.056 179 A HN 1.211 nan 8.150 nan 0.000 0.489 180 V N 2.791 122.666 119.914 -0.066 0.000 2.276 180 V HA 0.251 4.365 4.120 -0.009 0.000 0.268 180 V C -2.607 173.514 176.094 0.045 0.000 1.032 180 V CA -1.477 60.775 62.300 -0.080 0.000 0.810 180 V CB 0.699 32.379 31.823 -0.239 0.000 1.060 180 V HN 0.703 nan 8.190 nan 0.000 0.446 181 P HA 0.093 nan 4.420 nan 0.000 0.263 181 P C 0.117 177.406 177.300 -0.020 0.000 1.195 181 P CA 0.311 63.428 63.100 0.029 0.000 0.762 181 P CB 0.246 31.969 31.700 0.039 0.000 0.799 182 F N 3.388 123.222 119.950 -0.193 0.000 2.747 182 F HA 0.339 4.861 4.527 -0.009 0.000 0.305 182 F C -0.211 175.485 175.800 -0.174 0.000 1.065 182 F CA -0.265 57.665 58.000 -0.116 0.000 1.230 182 F CB 0.062 39.193 39.000 0.218 0.000 1.027 182 F HN 0.075 nan 8.300 nan 0.000 0.607 183 V N -0.962 118.461 119.914 -0.819 0.000 2.925 183 V HA 0.531 4.645 4.120 -0.009 0.000 0.311 183 V C -1.157 174.602 176.094 -0.559 0.000 1.104 183 V CA -1.035 60.877 62.300 -0.646 0.000 0.954 183 V CB 1.109 32.527 31.823 -0.676 0.000 1.022 183 V HN 0.277 nan 8.190 nan 0.000 0.427 184 H N 1.609 120.468 119.070 -0.352 0.000 2.525 184 H HA 0.680 5.231 4.556 -0.009 0.000 0.339 184 H C 0.375 175.556 175.328 -0.244 0.000 1.109 184 H CA 0.259 56.154 56.048 -0.256 0.000 1.352 184 H CB 1.634 31.274 29.762 -0.204 0.000 1.461 184 H HN 1.014 nan 8.280 nan 0.000 0.533 185 T N 0.427 114.965 114.554 -0.028 0.000 2.918 185 T HA 0.202 4.546 4.350 -0.009 0.000 0.286 185 T C 0.209 174.856 174.700 -0.088 0.000 1.026 185 T CA -1.223 60.825 62.100 -0.087 0.000 1.031 185 T CB 1.586 70.415 68.868 -0.064 0.000 1.046 185 T HN 0.460 nan 8.240 nan 0.000 0.479 186 N N 0.305 118.942 118.700 -0.104 0.000 2.453 186 N HA 0.395 5.130 4.740 -0.009 0.000 0.253 186 N C -0.315 175.197 175.510 0.003 0.000 1.252 186 N CA -0.200 52.807 53.050 -0.072 0.000 0.917 186 N CB 0.494 38.951 38.487 -0.050 0.000 1.117 186 N HN 0.752 nan 8.380 nan 0.000 0.442 187 V N -0.378 119.559 119.914 0.038 0.000 3.074 187 V HA 0.753 4.868 4.120 -0.009 0.000 0.314 187 V C -2.497 173.645 176.094 0.079 0.000 1.117 187 V CA -2.128 60.207 62.300 0.058 0.000 1.014 187 V CB 1.681 33.535 31.823 0.053 0.000 1.057 187 V HN 0.630 nan 8.190 nan 0.000 0.438 188 P HA 0.069 nan 4.420 nan 0.000 0.271 188 P C 0.515 177.883 177.300 0.113 0.000 1.233 188 P CA 0.176 63.331 63.100 0.092 0.000 0.789 188 P CB 0.974 32.725 31.700 0.086 0.000 0.951 189 Q N 1.357 121.238 119.800 0.134 0.000 2.012 189 Q HA -0.205 4.130 4.340 -0.009 0.000 0.211 189 Q C 1.533 177.602 176.000 0.116 0.000 1.009 189 Q CA 2.540 58.428 55.803 0.142 0.000 0.866 189 Q CB -0.527 28.340 28.738 0.216 0.000 0.945 189 Q HN 0.365 nan 8.270 nan 0.000 0.414 190 S N -1.551 114.287 115.700 0.229 0.000 2.572 190 S HA 0.251 4.715 4.470 -0.009 0.000 0.228 190 S C 0.343 175.067 174.600 0.206 0.000 0.963 190 S CA 0.286 58.593 58.200 0.179 0.000 0.939 190 S CB 0.078 63.420 63.200 0.237 0.000 0.804 190 S HN 0.518 nan 8.310 nan 0.000 0.480 191 M N -0.752 118.946 119.600 0.163 0.000 2.901 191 M HA -0.218 4.256 4.480 -0.009 0.000 0.182 191 M C -0.234 176.163 176.300 0.162 0.000 0.641 191 M CA 0.586 55.966 55.300 0.134 0.000 0.689 191 M CB -0.850 31.797 32.600 0.077 0.000 2.484 191 M HN 0.245 nan 8.290 nan 0.000 0.302 192 L N 0.936 122.305 121.223 0.243 0.000 2.598 192 L HA 0.609 4.943 4.340 -0.009 0.000 0.241 192 L C -0.018 176.953 176.870 0.168 0.000 1.244 192 L CA 0.552 55.503 54.840 0.184 0.000 1.198 192 L CB 0.755 42.906 42.059 0.155 0.000 1.448 192 L HN 0.171 nan 8.230 nan 0.000 0.406 193 S N 0.877 116.659 115.700 0.138 0.000 2.556 193 S HA 0.314 4.779 4.470 -0.009 0.000 0.280 193 S C -0.047 174.614 174.600 0.103 0.000 1.141 193 S CA -0.597 57.657 58.200 0.089 0.000 0.883 193 S CB 0.479 63.713 63.200 0.057 0.000 1.103 193 S HN 0.335 nan 8.310 nan 0.000 0.453 194 F N 1.512 121.369 119.950 -0.155 0.000 2.660 194 F HA 0.557 5.078 4.527 -0.009 0.000 0.302 194 F C 0.441 176.149 175.800 -0.154 0.000 1.103 194 F CA -0.507 57.336 58.000 -0.261 0.000 1.340 194 F CB 0.028 38.550 39.000 -0.796 0.000 1.048 194 F HN 0.429 nan 8.300 nan 0.000 0.551 195 D N 0.417 120.639 120.400 -0.297 0.000 2.478 195 D HA 0.306 4.940 4.640 -0.009 0.000 0.274 195 D C -0.839 175.450 176.300 -0.018 0.000 1.234 195 D CA -0.572 53.338 54.000 -0.150 0.000 1.069 195 D CB 1.837 42.528 40.800 -0.181 0.000 1.113 195 D HN 0.206 nan 8.370 nan 0.000 0.571 196 C N 0.857 120.162 119.300 0.008 0.000 2.789 196 C HA 0.653 5.107 4.460 -0.009 0.000 0.367 196 C C -1.256 173.757 174.990 0.038 0.000 1.062 196 C CA -0.162 58.879 59.018 0.039 0.000 1.297 196 C CB -0.838 26.935 27.740 0.055 0.000 1.794 196 C HN 0.451 nan 8.230 nan 0.000 0.474 197 S N 4.566 120.296 115.700 0.050 0.000 2.715 197 S HA 0.522 4.986 4.470 -0.009 0.000 0.290 197 S C -2.060 172.580 174.600 0.068 0.000 1.008 197 S CA -0.493 57.737 58.200 0.050 0.000 0.850 197 S CB 1.013 64.228 63.200 0.025 0.000 1.059 197 S HN 1.008 nan 8.310 nan 0.000 0.455 198 N N 3.526 122.267 118.700 0.069 0.000 2.864 198 N HA 0.261 4.996 4.740 -0.009 0.000 0.247 198 N C -2.793 172.742 175.510 0.041 0.000 1.071 198 N CA -1.126 51.975 53.050 0.085 0.000 1.056 198 N CB 2.000 40.571 38.487 0.141 0.000 1.661 198 N HN 0.318 nan 8.380 nan 0.000 0.570 199 P HA -0.008 nan 4.420 nan 0.000 0.220 199 P C 1.433 178.661 177.300 -0.120 0.000 1.148 199 P CA 0.442 63.507 63.100 -0.059 0.000 0.803 199 P CB 0.476 32.179 31.700 0.005 0.000 0.782 200 L N -3.054 118.080 121.223 -0.150 0.000 2.240 200 L HA 0.071 4.405 4.340 -0.009 0.000 0.211 200 L C 1.612 178.136 176.870 -0.576 0.000 1.106 200 L CA 1.791 56.397 54.840 -0.391 0.000 0.793 200 L CB -0.654 41.094 42.059 -0.517 0.000 0.927 200 L HN -0.054 nan 8.230 nan 0.000 0.446 201 F N -2.264 117.680 119.950 -0.010 0.000 2.883 201 F HA 0.477 4.998 4.527 -0.009 0.000 0.351 201 F C 1.197 176.987 175.800 -0.016 0.000 0.970 201 F CA 0.183 58.178 58.000 -0.008 0.000 1.130 201 F CB 0.593 39.594 39.000 0.002 0.000 1.015 201 F HN -0.033 nan 8.300 nan 0.000 0.585 202 G N 1.303 110.187 108.800 0.140 0.000 2.592 202 G HA2 -0.150 3.805 3.960 -0.009 0.000 0.684 202 G HA3 -0.150 3.805 3.960 -0.009 0.000 0.684 202 G C -1.164 173.776 174.900 0.067 0.000 1.291 202 G CA -1.012 44.130 45.100 0.070 0.000 0.891 202 G HN 0.149 nan 8.290 nan 0.000 0.544 203 Q N -0.350 119.471 119.800 0.034 0.000 2.314 203 Q HA 0.582 4.917 4.340 -0.009 0.000 0.258 203 Q C 0.294 176.309 176.000 0.026 0.000 0.954 203 Q CA 0.223 56.043 55.803 0.027 0.000 0.890 203 Q CB 0.573 29.317 28.738 0.011 0.000 1.210 203 Q HN 0.641 nan 8.270 nan 0.000 0.410 204 T N 4.034 118.605 114.554 0.029 0.000 2.875 204 T HA 0.484 4.829 4.350 -0.009 0.000 0.284 204 T C -0.389 174.331 174.700 0.033 0.000 0.995 204 T CA -0.419 61.697 62.100 0.026 0.000 1.060 204 T CB 0.769 69.656 68.868 0.031 0.000 0.967 204 T HN 0.554 nan 8.240 nan 0.000 0.476 205 M N 2.593 122.212 119.600 0.031 0.000 2.644 205 M HA 0.361 4.836 4.480 -0.009 0.000 0.316 205 M C 0.401 176.744 176.300 0.071 0.000 1.200 205 M CA -0.801 54.523 55.300 0.041 0.000 0.944 205 M CB 1.302 33.916 32.600 0.023 0.000 1.691 205 M HN 0.392 nan 8.290 nan 0.000 0.471 206 N N 2.730 121.486 118.700 0.092 0.000 2.452 206 N HA 0.150 4.885 4.740 -0.009 0.000 0.266 206 N C -1.919 173.680 175.510 0.149 0.000 1.175 206 N CA -1.211 51.927 53.050 0.147 0.000 0.945 206 N CB 1.134 39.710 38.487 0.149 0.000 1.063 206 N HN 0.351 nan 8.380 nan 0.000 0.472 207 P HA -0.097 nan 4.420 nan 0.000 0.221 207 P C 0.862 178.191 177.300 0.050 0.000 1.145 207 P CA 1.160 64.306 63.100 0.077 0.000 0.795 207 P CB 0.077 31.803 31.700 0.044 0.000 0.775 208 W N 0.689 121.998 121.300 0.014 0.000 2.418 208 W HA 0.127 4.782 4.660 -0.009 0.000 0.292 208 W C 1.279 177.795 176.519 -0.005 0.000 1.213 208 W CA 0.834 58.183 57.345 0.006 0.000 1.283 208 W CB -0.036 29.429 29.460 0.008 0.000 1.119 208 W HN -0.146 nan 8.180 nan 0.000 0.542 209 K N -0.728 119.802 120.400 0.216 0.000 2.561 209 K HA 0.151 4.465 4.320 -0.009 0.000 0.254 209 K C 0.360 176.999 176.600 0.065 0.000 0.942 209 K CA -0.213 56.139 56.287 0.109 0.000 0.818 209 K CB 1.814 34.367 32.500 0.089 0.000 1.306 209 K HN -0.398 nan 8.250 nan 0.000 0.435 210 S N 0.143 115.865 115.700 0.036 0.000 2.453 210 S HA -0.106 4.358 4.470 -0.009 0.000 0.231 210 S C 1.370 175.976 174.600 0.010 0.000 1.005 210 S CA 1.456 59.669 58.200 0.020 0.000 0.949 210 S CB -0.001 63.203 63.200 0.008 0.000 0.774 210 S HN 0.717 nan 8.310 nan 0.000 0.510 211 S N 0.426 116.129 115.700 0.004 0.000 2.701 211 S HA 0.217 4.681 4.470 -0.009 0.000 0.220 211 S C 0.257 174.844 174.600 -0.022 0.000 0.954 211 S CA -0.132 58.061 58.200 -0.011 0.000 0.936 211 S CB 0.055 63.245 63.200 -0.015 0.000 0.777 211 S HN 0.008 nan 8.310 nan 0.000 0.518 212 K N 1.450 121.843 120.400 -0.012 0.000 2.328 212 K HA 0.454 4.768 4.320 -0.009 0.000 0.246 212 K C -0.612 175.991 176.600 0.006 0.000 0.955 212 K CA -0.478 55.791 56.287 -0.030 0.000 0.817 212 K CB 1.811 34.287 32.500 -0.041 0.000 1.208 212 K HN 0.161 nan 8.250 nan 0.000 0.432 213 S N 2.191 117.894 115.700 0.004 0.000 2.545 213 S HA 0.250 4.714 4.470 -0.009 0.000 0.275 213 S C -1.620 173.108 174.600 0.213 0.000 1.299 213 S CA -1.197 57.058 58.200 0.091 0.000 1.048 213 S CB 0.532 63.794 63.200 0.104 0.000 0.938 213 S HN 0.301 nan 8.310 nan 0.000 0.496 214 P HA 0.222 nan 4.420 nan 0.000 0.245 214 P C 0.793 178.284 177.300 0.319 0.000 1.212 214 P CA 0.645 63.896 63.100 0.251 0.000 0.774 214 P CB -0.807 30.986 31.700 0.156 0.000 0.999 215 G N -0.975 108.067 108.800 0.404 0.000 2.796 215 G HA2 0.249 4.203 3.960 -0.009 0.000 0.571 215 G HA3 0.249 4.203 3.960 -0.009 0.000 0.571 215 G C -0.395 174.574 174.900 0.115 0.000 1.370 215 G CA -0.652 44.530 45.100 0.136 0.000 0.856 215 G HN 0.592 nan 8.290 nan 0.000 0.538 216 G N -2.243 106.628 108.800 0.119 0.000 2.579 216 G HA2 0.730 4.685 3.960 -0.009 0.000 0.292 216 G HA3 0.730 4.685 3.960 -0.009 0.000 0.292 216 G C 0.543 175.560 174.900 0.194 0.000 1.484 216 G CA 0.853 46.031 45.100 0.129 0.000 0.813 216 G HN 2.129 nan 8.290 nan 0.000 0.515 217 S N -1.190 114.605 115.700 0.158 0.000 2.524 217 S HA 0.082 4.547 4.470 -0.009 0.000 0.216 217 S C 1.317 175.973 174.600 0.093 0.000 0.987 217 S CA 0.898 59.166 58.200 0.113 0.000 0.909 217 S CB 0.183 63.446 63.200 0.105 0.000 0.781 217 S HN 0.667 nan 8.310 nan 0.000 0.521 218 S N 2.000 117.758 115.700 0.097 0.000 3.227 218 S HA 0.336 4.800 4.470 -0.009 0.000 0.249 218 S C 1.392 176.038 174.600 0.077 0.000 1.322 218 S CA 0.007 58.260 58.200 0.088 0.000 1.253 218 S CB -0.262 62.995 63.200 0.095 0.000 1.076 218 S HN 0.673 nan 8.310 nan 0.000 0.471 219 G N 1.758 110.604 108.800 0.076 0.000 2.430 219 G HA2 0.055 4.010 3.960 -0.009 0.000 0.216 219 G HA3 0.055 4.010 3.960 -0.009 0.000 0.216 219 G C 1.279 176.217 174.900 0.064 0.000 1.146 219 G CA 0.365 45.513 45.100 0.080 0.000 0.793 219 G HN 0.599 nan 8.290 nan 0.000 0.537 220 G N 0.837 109.661 108.800 0.040 0.000 2.433 220 G HA2 -0.136 3.818 3.960 -0.009 0.000 0.216 220 G HA3 -0.136 3.818 3.960 -0.009 0.000 0.216 220 G C 1.594 176.500 174.900 0.011 0.000 1.186 220 G CA 1.043 46.151 45.100 0.012 0.000 0.779 220 G HN 0.301 nan 8.290 nan 0.000 0.543 221 E N 0.704 120.915 120.200 0.019 0.000 2.065 221 E HA -0.148 4.196 4.350 -0.009 0.000 0.201 221 E C 2.752 179.375 176.600 0.038 0.000 1.016 221 E CA 1.390 57.800 56.400 0.017 0.000 0.818 221 E CB -1.043 28.676 29.700 0.032 0.000 0.749 221 E HN 0.355 nan 8.360 nan 0.000 0.453 222 G N 0.746 109.582 108.800 0.061 0.000 2.422 222 G HA2 -0.180 3.774 3.960 -0.009 0.000 0.218 222 G HA3 -0.180 3.774 3.960 -0.009 0.000 0.218 222 G C 1.728 176.694 174.900 0.109 0.000 1.146 222 G CA 1.375 46.528 45.100 0.088 0.000 0.769 222 G HN 0.409 nan 8.290 nan 0.000 0.547 223 A N 0.243 123.120 122.820 0.094 0.000 1.930 223 A HA 0.153 4.467 4.320 -0.009 0.000 0.217 223 A C 2.313 179.938 177.584 0.069 0.000 1.175 223 A CA 1.566 53.658 52.037 0.093 0.000 0.627 223 A CB -0.337 18.705 19.000 0.069 0.000 0.815 223 A HN 0.446 nan 8.150 nan 0.000 0.443 224 L N -0.386 120.865 121.223 0.045 0.000 2.131 224 L HA 0.058 4.393 4.340 -0.009 0.000 0.206 224 L C 2.050 178.957 176.870 0.061 0.000 1.087 224 L CA 1.514 56.378 54.840 0.040 0.000 0.767 224 L CB -0.338 41.725 42.059 0.006 0.000 0.917 224 L HN 0.395 nan 8.230 nan 0.000 0.441 225 I N -0.253 120.353 120.570 0.059 0.000 2.277 225 I HA 0.019 4.183 4.170 -0.009 0.000 0.243 225 I C 1.530 177.701 176.117 0.089 0.000 1.094 225 I CA 0.544 61.881 61.300 0.062 0.000 1.393 225 I CB -1.019 37.006 38.000 0.041 0.000 1.078 225 I HN 0.314 nan 8.210 nan 0.000 0.417 226 G N 0.298 109.169 108.800 0.119 0.000 2.559 226 G HA2 0.163 4.118 3.960 -0.009 0.000 0.235 226 G HA3 0.163 4.118 3.960 -0.009 0.000 0.235 226 G C 0.935 175.881 174.900 0.076 0.000 1.266 226 G CA 0.472 45.662 45.100 0.151 0.000 0.847 226 G HN 0.592 nan 8.290 nan 0.000 0.583 227 S N -0.536 115.167 115.700 0.005 0.000 3.011 227 S HA -0.157 4.307 4.470 -0.009 0.000 0.278 227 S C 2.024 176.636 174.600 0.019 0.000 1.300 227 S CA 1.630 59.806 58.200 -0.039 0.000 1.248 227 S CB -1.568 61.598 63.200 -0.057 0.000 1.517 227 S HN 3.031 nan 8.310 nan 0.000 0.685 228 G N -0.091 108.751 108.800 0.070 0.000 2.141 228 G HA2 0.032 3.987 3.960 -0.009 0.000 0.231 228 G HA3 0.032 3.987 3.960 -0.009 0.000 0.231 228 G C 1.245 176.281 174.900 0.226 0.000 0.984 228 G CA 0.754 45.931 45.100 0.129 0.000 0.660 228 G HN 1.897 nan 8.290 nan 0.000 0.525 229 G N -0.594 108.318 108.800 0.187 0.000 2.848 229 G HA2 0.411 4.366 3.960 -0.009 0.000 0.208 229 G HA3 0.411 4.366 3.960 -0.009 0.000 0.208 229 G C 0.519 175.594 174.900 0.291 0.000 1.152 229 G CA 1.529 46.785 45.100 0.260 0.000 0.789 229 G HN 1.534 nan 8.290 nan 0.000 0.531 230 S N -0.576 115.186 115.700 0.103 0.000 2.566 230 S HA 0.534 4.999 4.470 -0.009 0.000 0.273 230 S C -2.101 172.322 174.600 -0.293 0.000 1.157 230 S CA -1.015 57.107 58.200 -0.130 0.000 0.938 230 S CB 2.428 65.674 63.200 0.077 0.000 1.087 230 S HN -0.093 nan 8.310 nan 0.000 0.474 231 P HA 0.205 nan 4.420 nan 0.000 0.221 231 P C -0.117 177.101 177.300 -0.136 0.000 1.155 231 P CA 0.326 63.254 63.100 -0.287 0.000 0.812 231 P CB 0.186 31.681 31.700 -0.340 0.000 0.801 232 L N -1.221 119.924 121.223 -0.130 0.000 2.472 232 L HA 0.792 5.127 4.340 -0.009 0.000 0.260 232 L C -0.894 175.934 176.870 -0.069 0.000 0.963 232 L CA -0.510 54.280 54.840 -0.083 0.000 0.829 232 L CB 2.100 44.107 42.059 -0.087 0.000 1.348 232 L HN 0.055 nan 8.230 nan 0.000 0.408 233 G N 2.933 111.690 108.800 -0.071 0.000 2.677 233 G HA2 0.612 4.566 3.960 -0.009 0.000 0.291 233 G HA3 0.612 4.566 3.960 -0.009 0.000 0.291 233 G C -2.523 172.312 174.900 -0.108 0.000 1.435 233 G CA -0.618 44.426 45.100 -0.092 0.000 0.826 233 G HN 0.486 nan 8.290 nan 0.000 0.491 234 L N 0.543 121.657 121.223 -0.182 0.000 2.329 234 L HA 0.864 5.199 4.340 -0.009 0.000 0.279 234 L C 0.749 177.629 176.870 0.016 0.000 1.014 234 L CA -0.064 54.636 54.840 -0.233 0.000 0.814 234 L CB 1.762 43.376 42.059 -0.742 0.000 1.257 234 L HN 0.895 nan 8.230 nan 0.000 0.424 235 G N 0.358 109.279 108.800 0.203 0.000 2.818 235 G HA2 0.738 4.692 3.960 -0.009 0.000 0.286 235 G HA3 0.738 4.692 3.960 -0.009 0.000 0.286 235 G C -1.073 174.025 174.900 0.330 0.000 1.364 235 G CA -0.160 45.121 45.100 0.301 0.000 0.938 235 G HN 0.590 nan 8.290 nan 0.000 0.490 236 T N -2.067 112.591 114.554 0.174 0.000 2.930 236 T HA 0.698 5.042 4.350 -0.009 0.000 0.290 236 T C -1.687 173.048 174.700 0.059 0.000 1.052 236 T CA -0.744 61.404 62.100 0.081 0.000 1.017 236 T CB 2.633 71.485 68.868 -0.027 0.000 1.137 236 T HN 0.452 nan 8.240 nan 0.000 0.511 237 D N 0.601 121.023 120.400 0.037 0.000 2.764 237 D HA 0.359 4.994 4.640 -0.009 0.000 0.227 237 D C -0.398 175.908 176.300 0.009 0.000 1.347 237 D CA -0.512 53.502 54.000 0.024 0.000 0.953 237 D CB 2.053 42.860 40.800 0.012 0.000 1.476 237 D HN 0.638 nan 8.370 nan 0.000 0.585 238 I N 1.760 122.334 120.570 0.006 0.000 4.592 238 I HA 0.305 4.470 4.170 -0.009 0.000 0.329 238 I C 1.161 177.262 176.117 -0.027 0.000 1.309 238 I CA 0.174 61.465 61.300 -0.016 0.000 1.243 238 I CB 0.917 38.902 38.000 -0.025 0.000 1.241 238 I HN 0.459 nan 8.210 nan 0.000 0.434 239 G N -0.497 108.305 108.800 0.004 0.000 3.581 239 G HA2 0.402 4.356 3.960 -0.009 0.000 0.248 239 G HA3 0.402 4.356 3.960 -0.009 0.000 0.248 239 G C 0.820 175.753 174.900 0.056 0.000 1.037 239 G CA 0.529 45.638 45.100 0.015 0.000 0.902 239 G HN 0.418 nan 8.290 nan 0.000 0.512 240 G N -0.025 108.783 108.800 0.014 0.000 3.216 240 G HA2 -0.091 3.863 3.960 -0.009 0.000 0.221 240 G HA3 -0.091 3.863 3.960 -0.009 0.000 0.221 240 G C 0.921 175.747 174.900 -0.123 0.000 0.949 240 G CA 0.553 45.501 45.100 -0.253 0.000 0.952 240 G HN 0.192 nan 8.290 nan 0.000 0.657 241 S N -0.036 115.712 115.700 0.080 0.000 2.547 241 S HA 0.127 4.591 4.470 -0.009 0.000 0.235 241 S C 2.037 176.672 174.600 0.059 0.000 0.980 241 S CA 0.909 59.188 58.200 0.133 0.000 0.941 241 S CB -0.044 63.227 63.200 0.119 0.000 0.763 241 S HN 0.527 nan 8.310 nan 0.000 0.532 242 I N 0.093 120.660 120.570 -0.004 0.000 3.265 242 I HA 0.073 4.237 4.170 -0.009 0.000 0.282 242 I C 2.311 178.388 176.117 -0.065 0.000 1.207 242 I CA 0.495 61.790 61.300 -0.008 0.000 1.449 242 I CB 0.126 38.129 38.000 0.006 0.000 1.121 242 I HN 0.107 nan 8.210 nan 0.000 0.442 243 R N -0.398 119.999 120.500 -0.172 0.000 2.146 243 R HA 0.103 4.437 4.340 -0.009 0.000 0.206 243 R C 2.111 178.191 176.300 -0.368 0.000 1.049 243 R CA 0.657 56.596 56.100 -0.268 0.000 1.029 243 R CB -0.212 29.876 30.300 -0.354 0.000 0.949 243 R HN 0.061 nan 8.270 nan 0.000 0.471 244 F N 1.440 121.242 119.950 -0.246 0.000 2.063 244 F HA -0.153 4.368 4.527 -0.009 0.000 0.298 244 F C -0.630 174.868 175.800 -0.503 0.000 1.109 244 F CA 1.448 59.142 58.000 -0.509 0.000 1.212 244 F CB -1.680 37.022 39.000 -0.497 0.000 0.973 244 F HN 0.024 nan 8.300 nan 0.000 0.480 245 P HA -0.044 nan 4.420 nan 0.000 0.218 245 P C 1.777 179.111 177.300 0.057 0.000 1.152 245 P CA 1.763 64.879 63.100 0.027 0.000 0.826 245 P CB -0.013 31.724 31.700 0.062 0.000 0.790 246 S N 0.349 116.058 115.700 0.015 0.000 2.359 246 S HA -0.225 4.239 4.470 -0.009 0.000 0.222 246 S C 2.102 176.727 174.600 0.042 0.000 1.038 246 S CA 1.827 60.041 58.200 0.024 0.000 1.051 246 S CB -1.323 61.870 63.200 -0.012 0.000 0.944 246 S HN 0.165 nan 8.310 nan 0.000 0.433 247 A N 0.172 123.006 122.820 0.022 0.000 2.067 247 A HA 0.054 4.368 4.320 -0.009 0.000 0.219 247 A C 1.688 179.440 177.584 0.279 0.000 1.158 247 A CA 1.018 53.112 52.037 0.094 0.000 0.661 247 A CB -0.498 18.546 19.000 0.074 0.000 0.801 247 A HN 0.451 nan 8.150 nan 0.000 0.452 248 F N -1.399 118.563 119.950 0.020 0.000 2.387 248 F HA 0.039 4.560 4.527 -0.009 0.000 0.294 248 F C 2.150 177.899 175.800 -0.085 0.000 1.093 248 F CA -0.266 57.731 58.000 -0.005 0.000 1.420 248 F CB -0.747 38.302 39.000 0.081 0.000 1.086 248 F HN 0.225 nan 8.300 nan 0.000 0.531 249 C N -0.726 118.683 119.300 0.181 0.000 2.906 249 C HA 0.521 4.976 4.460 -0.009 0.000 0.274 249 C C 1.584 176.678 174.990 0.173 0.000 1.257 249 C CA 0.208 59.342 59.018 0.193 0.000 1.695 249 C CB -0.778 27.121 27.740 0.265 0.000 1.958 249 C HN 0.668 nan 8.230 nan 0.000 0.619 250 G N 2.260 111.078 108.800 0.029 0.000 2.289 250 G HA2 -0.215 3.739 3.960 -0.009 0.000 0.280 250 G HA3 -0.215 3.739 3.960 -0.009 0.000 0.280 250 G C -0.271 174.704 174.900 0.125 0.000 1.089 250 G CA 0.657 45.773 45.100 0.027 0.000 0.939 250 G HN 0.741 nan 8.290 nan 0.000 0.499 251 I N -3.772 116.857 120.570 0.099 0.000 3.436 251 I HA 0.882 5.046 4.170 -0.009 0.000 0.300 251 I C 0.391 176.533 176.117 0.041 0.000 1.131 251 I CA -1.691 59.658 61.300 0.082 0.000 1.001 251 I CB 1.681 39.736 38.000 0.091 0.000 1.305 251 I HN 0.075 nan 8.210 nan 0.000 0.494 252 C N 1.082 120.401 119.300 0.032 0.000 2.376 252 C HA 0.943 5.397 4.460 -0.009 0.000 0.335 252 C C 0.325 175.319 174.990 0.008 0.000 1.229 252 C CA 0.005 59.031 59.018 0.013 0.000 1.867 252 C CB 0.366 28.116 27.740 0.016 0.000 2.319 252 C HN 1.002 nan 8.230 nan 0.000 0.515 253 G N 2.348 111.146 108.800 -0.003 0.000 2.759 253 G HA2 0.600 4.554 3.960 -0.009 0.000 0.297 253 G HA3 0.600 4.554 3.960 -0.009 0.000 0.297 253 G C -2.065 172.831 174.900 -0.007 0.000 1.434 253 G CA -0.341 44.756 45.100 -0.005 0.000 0.980 253 G HN 0.745 nan 8.290 nan 0.000 0.531 254 L N 0.622 121.847 121.223 0.003 0.000 2.385 254 L HA 0.770 5.104 4.340 -0.009 0.000 0.273 254 L C -0.405 176.475 176.870 0.016 0.000 0.990 254 L CA -0.916 53.930 54.840 0.011 0.000 0.821 254 L CB 2.028 44.102 42.059 0.025 0.000 1.279 254 L HN 0.437 nan 8.230 nan 0.000 0.412 255 K N 6.515 126.922 120.400 0.011 0.000 2.299 255 K HA 0.514 4.829 4.320 -0.009 0.000 0.268 255 K C -2.548 174.065 176.600 0.021 0.000 1.075 255 K CA -1.771 54.527 56.287 0.018 0.000 0.936 255 K CB 1.049 33.554 32.500 0.007 0.000 1.228 255 K HN 0.429 nan 8.250 nan 0.000 0.454 256 P HA 0.024 nan 4.420 nan 0.000 0.273 256 P C -0.790 176.489 177.300 -0.034 0.000 1.250 256 P CA -0.266 62.843 63.100 0.016 0.000 0.793 256 P CB 0.362 32.094 31.700 0.054 0.000 1.011 257 T N 1.464 115.945 114.554 -0.121 0.000 2.765 257 T HA -0.024 4.321 4.350 -0.009 0.000 0.275 257 T C 1.922 176.508 174.700 -0.191 0.000 1.007 257 T CA 1.067 62.995 62.100 -0.286 0.000 1.175 257 T CB -0.329 68.119 68.868 -0.700 0.000 0.993 257 T HN 0.631 nan 8.240 nan 0.000 0.510 258 G N 3.021 111.737 108.800 -0.141 0.000 2.596 258 G HA2 -0.331 3.624 3.960 -0.009 0.000 0.223 258 G HA3 -0.331 3.624 3.960 -0.009 0.000 0.223 258 G C 1.154 176.064 174.900 0.016 0.000 1.120 258 G CA 0.753 45.826 45.100 -0.045 0.000 0.752 258 G HN 0.800 nan 8.290 nan 0.000 0.596 259 N N -0.609 118.100 118.700 0.015 0.000 2.268 259 N HA 0.072 4.806 4.740 -0.009 0.000 0.204 259 N C 1.980 177.700 175.510 0.351 0.000 1.124 259 N CA -0.353 52.817 53.050 0.200 0.000 0.838 259 N CB 0.085 38.756 38.487 0.307 0.000 0.994 259 N HN 0.056 nan 8.380 nan 0.000 0.489 260 R N 0.197 120.864 120.500 0.278 0.000 2.092 260 R HA 0.156 4.490 4.340 -0.009 0.000 0.231 260 R C 0.348 176.821 176.300 0.288 0.000 1.119 260 R CA 1.224 57.537 56.100 0.355 0.000 0.970 260 R CB 0.058 30.511 30.300 0.255 0.000 0.864 260 R HN 0.171 nan 8.270 nan 0.000 0.440 261 L N -1.542 119.809 121.223 0.213 0.000 2.279 261 L HA 0.429 4.763 4.340 -0.009 0.000 0.262 261 L C -0.210 176.763 176.870 0.171 0.000 1.019 261 L CA -1.092 53.860 54.840 0.187 0.000 0.823 261 L CB 1.836 43.988 42.059 0.155 0.000 1.358 261 L HN -0.116 nan 8.230 nan 0.000 0.432 262 S N -0.407 115.387 115.700 0.156 0.000 2.489 262 S HA 0.324 4.788 4.470 -0.009 0.000 0.291 262 S C 0.079 174.756 174.600 0.130 0.000 1.151 262 S CA -0.507 57.777 58.200 0.139 0.000 1.082 262 S CB 0.988 64.264 63.200 0.126 0.000 1.019 262 S HN 0.618 nan 8.310 nan 0.000 0.492 263 K N 2.644 123.107 120.400 0.105 0.000 2.440 263 K HA 0.203 4.518 4.320 -0.009 0.000 0.206 263 K C 1.121 177.761 176.600 0.067 0.000 1.025 263 K CA -0.092 56.244 56.287 0.082 0.000 1.135 263 K CB 0.231 32.775 32.500 0.073 0.000 0.856 263 K HN 0.517 nan 8.250 nan 0.000 0.502 264 S N -0.293 115.450 115.700 0.073 0.000 2.603 264 S HA -0.003 4.462 4.470 -0.009 0.000 0.229 264 S C 1.277 175.900 174.600 0.038 0.000 0.972 264 S CA 0.874 59.104 58.200 0.049 0.000 0.935 264 S CB 0.170 63.401 63.200 0.051 0.000 0.769 264 S HN 0.527 nan 8.310 nan 0.000 0.536 265 G N 0.085 108.918 108.800 0.056 0.000 3.342 265 G HA2 0.280 4.234 3.960 -0.009 0.000 0.252 265 G HA3 0.280 4.234 3.960 -0.009 0.000 0.252 265 G C -0.172 174.755 174.900 0.045 0.000 1.011 265 G CA -0.358 44.773 45.100 0.051 0.000 0.869 265 G HN 0.312 nan 8.290 nan 0.000 0.514 266 L N 1.812 123.046 121.223 0.017 0.000 2.698 266 L HA 0.150 4.484 4.340 -0.009 0.000 0.272 266 L C 0.829 177.744 176.870 0.075 0.000 1.154 266 L CA 0.120 54.932 54.840 -0.047 0.000 0.964 266 L CB 0.390 42.388 42.059 -0.102 0.000 1.272 266 L HN 0.009 nan 8.230 nan 0.000 0.483 267 K N 2.856 123.284 120.400 0.045 0.000 2.395 267 K HA 0.343 4.658 4.320 -0.009 0.000 0.283 267 K C 0.371 176.980 176.600 0.014 0.000 1.068 267 K CA 0.301 56.651 56.287 0.105 0.000 1.039 267 K CB 0.155 32.682 32.500 0.044 0.000 0.924 267 K HN 0.674 nan 8.250 nan 0.000 0.468 268 G N 1.610 110.394 108.800 -0.026 0.000 2.705 268 G HA2 0.288 4.242 3.960 -0.009 0.000 0.299 268 G HA3 0.288 4.242 3.960 -0.009 0.000 0.299 268 G C 0.408 175.040 174.900 -0.447 0.000 1.315 268 G CA -0.354 44.566 45.100 -0.300 0.000 1.045 268 G HN 0.881 nan 8.290 nan 0.000 0.517 269 C N -1.746 117.340 119.300 -0.356 0.000 3.188 269 C HA 0.576 5.030 4.460 -0.009 0.000 0.315 269 C C 0.747 175.586 174.990 -0.251 0.000 1.285 269 C CA 0.158 59.010 59.018 -0.277 0.000 1.729 269 C CB -0.834 26.810 27.740 -0.161 0.000 2.257 269 C HN 0.698 nan 8.230 nan 0.000 0.645 270 V N 0.341 120.102 119.914 -0.255 0.000 2.864 270 V HA 0.801 4.916 4.120 -0.009 0.000 0.314 270 V C -1.796 174.089 176.094 -0.350 0.000 1.073 270 V CA -0.549 61.640 62.300 -0.185 0.000 0.956 270 V CB 1.946 33.807 31.823 0.063 0.000 1.023 270 V HN 0.365 nan 8.190 nan 0.000 0.435 271 Y N 2.860 123.198 120.300 0.063 0.000 2.499 271 Y HA 0.789 5.333 4.550 -0.010 0.000 0.347 271 Y C 1.093 177.023 175.900 0.051 0.000 0.987 271 Y CA -0.023 58.106 58.100 0.047 0.000 1.044 271 Y CB 2.404 40.886 38.460 0.037 0.000 1.245 271 Y HN 1.159 nan 8.280 nan 0.000 0.461 272 G N 0.829 109.765 108.800 0.226 0.000 2.195 272 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.246 272 G HA3 -0.248 3.707 3.960 -0.009 0.000 0.246 272 G C 0.178 175.146 174.900 0.113 0.000 0.984 272 G CA -0.087 45.102 45.100 0.148 0.000 0.633 272 G HN 0.541 nan 8.290 nan 0.000 0.525 273 Q N 1.571 121.431 119.800 0.099 0.000 2.281 273 Q HA 0.399 4.734 4.340 -0.009 0.000 0.267 273 Q C 0.960 176.995 176.000 0.059 0.000 1.053 273 Q CA 1.243 57.088 55.803 0.070 0.000 0.905 273 Q CB 0.482 29.248 28.738 0.047 0.000 1.195 273 Q HN 0.659 nan 8.270 nan 0.000 0.398 274 T N 0.663 115.252 114.554 0.059 0.000 3.296 274 T HA 0.632 4.976 4.350 -0.009 0.000 0.285 274 T C -0.264 174.457 174.700 0.036 0.000 1.014 274 T CA -0.104 62.027 62.100 0.051 0.000 0.920 274 T CB 0.376 69.282 68.868 0.063 0.000 1.143 274 T HN 0.451 nan 8.240 nan 0.000 0.522 275 A N 1.119 123.951 122.820 0.020 0.000 2.375 275 A HA 0.718 5.032 4.320 -0.009 0.000 0.291 275 A C -0.137 177.427 177.584 -0.033 0.000 1.160 275 A CA -0.818 51.219 52.037 -0.000 0.000 0.747 275 A CB 0.782 19.788 19.000 0.010 0.000 1.170 275 A HN 1.133 nan 8.150 nan 0.000 0.458 276 V N 2.331 122.217 119.914 -0.046 0.000 3.344 276 V HA -0.140 3.974 4.120 -0.009 0.000 0.473 276 V C -0.568 175.502 176.094 -0.040 0.000 0.682 276 V CA 0.272 62.535 62.300 -0.062 0.000 2.007 276 V CB -1.235 30.530 31.823 -0.096 0.000 2.460 276 V HN 0.989 nan 8.190 nan 0.000 0.499 277 Q N 3.070 122.849 119.800 -0.034 0.000 2.257 277 Q HA 0.637 4.971 4.340 -0.009 0.000 0.255 277 Q C -0.250 175.742 176.000 -0.013 0.000 0.920 277 Q CA -0.879 54.913 55.803 -0.017 0.000 0.927 277 Q CB 2.167 30.891 28.738 -0.023 0.000 1.229 277 Q HN 0.736 nan 8.270 nan 0.000 0.433 278 L N 2.306 123.530 121.223 0.002 0.000 2.349 278 L HA 0.307 4.641 4.340 -0.009 0.000 0.275 278 L C -0.740 176.139 176.870 0.016 0.000 1.115 278 L CA 0.479 55.323 54.840 0.007 0.000 0.820 278 L CB 0.896 42.963 42.059 0.013 0.000 1.135 278 L HN 0.537 nan 8.230 nan 0.000 0.445 279 S N 5.282 120.994 115.700 0.021 0.000 2.536 279 S HA 0.738 5.202 4.470 -0.009 0.000 0.287 279 S C -0.640 173.999 174.600 0.065 0.000 1.101 279 S CA -0.926 57.298 58.200 0.040 0.000 0.950 279 S CB 1.443 64.661 63.200 0.030 0.000 1.056 279 S HN 0.698 nan 8.310 nan 0.000 0.481 280 L N 0.064 121.351 121.223 0.106 0.000 2.387 280 L HA 1.083 5.417 4.340 -0.009 0.000 0.266 280 L C 0.315 177.280 176.870 0.158 0.000 1.059 280 L CA -0.266 54.686 54.840 0.188 0.000 0.801 280 L CB 0.628 42.882 42.059 0.325 0.000 1.223 280 L HN 0.938 nan 8.230 nan 0.000 0.456 281 G N -0.141 108.755 108.800 0.160 0.000 2.342 281 G HA2 0.494 4.449 3.960 -0.009 0.000 0.297 281 G HA3 0.494 4.449 3.960 -0.009 0.000 0.297 281 G C -3.338 171.588 174.900 0.045 0.000 1.313 281 G CA -0.706 44.446 45.100 0.086 0.000 0.830 281 G HN 0.585 nan 8.290 nan 0.000 0.506 282 P HA 0.594 nan 4.420 nan 0.000 0.284 282 P C -0.908 176.386 177.300 -0.010 0.000 1.258 282 P CA -0.303 62.784 63.100 -0.021 0.000 0.824 282 P CB 1.482 33.158 31.700 -0.039 0.000 1.038 283 M N 1.595 121.185 119.600 -0.018 0.000 2.393 283 M HA 0.736 5.211 4.480 -0.009 0.000 0.299 283 M C -0.590 175.703 176.300 -0.012 0.000 1.103 283 M CA -0.317 54.980 55.300 -0.005 0.000 0.910 283 M CB 2.712 35.316 32.600 0.008 0.000 1.659 283 M HN 0.487 nan 8.290 nan 0.000 0.445 284 A N 1.591 124.412 122.820 0.001 0.000 2.586 284 A HA 0.589 4.903 4.320 -0.009 0.000 0.290 284 A C -0.319 177.280 177.584 0.025 0.000 1.086 284 A CA -0.736 51.302 52.037 0.002 0.000 0.665 284 A CB 1.395 20.388 19.000 -0.012 0.000 1.279 284 A HN 0.900 nan 8.150 nan 0.000 0.423 285 R N -0.384 120.135 120.500 0.031 0.000 2.236 285 R HA 0.041 4.376 4.340 -0.009 0.000 0.208 285 R C -0.707 175.621 176.300 0.047 0.000 1.036 285 R CA 1.625 57.756 56.100 0.052 0.000 1.001 285 R CB -0.044 30.293 30.300 0.061 0.000 0.896 285 R HN 0.848 nan 8.270 nan 0.000 0.464 286 D N -2.751 117.670 120.400 0.035 0.000 2.661 286 D HA 0.015 4.650 4.640 -0.009 0.000 0.228 286 D C 0.504 176.824 176.300 0.033 0.000 1.183 286 D CA -0.691 53.331 54.000 0.037 0.000 0.844 286 D CB 1.547 42.373 40.800 0.043 0.000 1.555 286 D HN -0.206 nan 8.370 nan 0.000 0.453 287 V N 0.627 120.567 119.914 0.044 0.000 2.594 287 V HA -0.177 3.938 4.120 -0.009 0.000 0.253 287 V C 1.495 177.632 176.094 0.071 0.000 1.069 287 V CA 1.735 64.069 62.300 0.056 0.000 1.082 287 V CB -0.648 31.218 31.823 0.073 0.000 0.680 287 V HN 0.610 nan 8.190 nan 0.000 0.469 288 E N 0.904 121.162 120.200 0.096 0.000 2.160 288 E HA -0.135 4.210 4.350 -0.009 0.000 0.195 288 E C 2.387 178.990 176.600 0.004 0.000 0.991 288 E CA 1.813 58.276 56.400 0.105 0.000 0.810 288 E CB -0.285 29.481 29.700 0.111 0.000 0.742 288 E HN 0.725 nan 8.360 nan 0.000 0.466 289 S N 0.063 115.758 115.700 -0.008 0.000 2.387 289 S HA -0.017 4.447 4.470 -0.009 0.000 0.226 289 S C 1.867 176.417 174.600 -0.082 0.000 1.026 289 S CA 0.529 58.704 58.200 -0.043 0.000 0.972 289 S CB -0.101 63.084 63.200 -0.025 0.000 0.814 289 S HN 0.187 nan 8.310 nan 0.000 0.477 290 L N 1.392 122.573 121.223 -0.068 0.000 2.046 290 L HA -0.113 4.222 4.340 -0.009 0.000 0.208 290 L C 2.816 179.588 176.870 -0.163 0.000 1.077 290 L CA 1.224 56.014 54.840 -0.083 0.000 0.747 290 L CB -0.834 41.203 42.059 -0.036 0.000 0.896 290 L HN 0.313 nan 8.230 nan 0.000 0.432 291 A N -0.056 122.618 122.820 -0.244 0.000 1.933 291 A HA -0.176 4.139 4.320 -0.009 0.000 0.218 291 A C 2.338 179.555 177.584 -0.611 0.000 1.175 291 A CA 1.391 53.113 52.037 -0.525 0.000 0.628 291 A CB -0.571 17.988 19.000 -0.735 0.000 0.814 291 A HN 0.374 nan 8.150 nan 0.000 0.444 292 L N -0.996 120.022 121.223 -0.342 0.000 2.044 292 L HA -0.169 4.166 4.340 -0.009 0.000 0.205 292 L C 2.742 179.459 176.870 -0.254 0.000 1.075 292 L CA 1.734 56.407 54.840 -0.278 0.000 0.747 292 L CB -0.522 41.451 42.059 -0.145 0.000 0.903 292 L HN 0.608 nan 8.230 nan 0.000 0.435 293 C N 0.128 119.310 119.300 -0.196 0.000 2.413 293 C HA -0.209 4.246 4.460 -0.009 0.000 0.276 293 C C 2.810 177.701 174.990 -0.165 0.000 1.236 293 C CA 0.718 59.645 59.018 -0.151 0.000 1.735 293 C CB -0.894 26.778 27.740 -0.113 0.000 2.031 293 C HN 0.472 nan 8.230 nan 0.000 0.474 294 L N 0.381 121.481 121.223 -0.206 0.000 2.046 294 L HA -0.160 4.174 4.340 -0.009 0.000 0.208 294 L C 2.737 179.474 176.870 -0.222 0.000 1.077 294 L CA 2.037 56.782 54.840 -0.158 0.000 0.747 294 L CB -0.726 41.288 42.059 -0.075 0.000 0.896 294 L HN 0.458 nan 8.230 nan 0.000 0.432 295 K N -0.173 119.910 120.400 -0.529 0.000 2.097 295 K HA -0.147 4.168 4.320 -0.009 0.000 0.205 295 K C 2.046 178.535 176.600 -0.185 0.000 1.050 295 K CA 1.117 57.144 56.287 -0.434 0.000 0.938 295 K CB 0.009 32.095 32.500 -0.689 0.000 0.718 295 K HN 0.281 nan 8.250 nan 0.000 0.442 296 A N 0.915 123.628 122.820 -0.179 0.000 1.933 296 A HA -0.138 4.177 4.320 -0.009 0.000 0.218 296 A C 1.911 179.438 177.584 -0.096 0.000 1.175 296 A CA 1.126 53.098 52.037 -0.108 0.000 0.628 296 A CB -0.374 18.570 19.000 -0.095 0.000 0.814 296 A HN 0.256 nan 8.150 nan 0.000 0.444 297 L N -1.107 120.057 121.223 -0.098 0.000 2.131 297 L HA 0.099 4.434 4.340 -0.009 0.000 0.206 297 L C 0.982 177.768 176.870 -0.140 0.000 1.087 297 L CA 0.953 55.741 54.840 -0.087 0.000 0.767 297 L CB -0.786 41.245 42.059 -0.045 0.000 0.917 297 L HN 0.220 nan 8.230 nan 0.000 0.441 298 L N 0.520 121.688 121.223 -0.091 0.000 2.919 298 L HA 0.087 4.422 4.340 -0.009 0.000 0.242 298 L C 0.489 177.182 176.870 -0.294 0.000 1.366 298 L CA -0.226 54.562 54.840 -0.087 0.000 1.212 298 L CB -1.524 40.668 42.059 0.221 0.000 1.604 298 L HN 0.348 nan 8.230 nan 0.000 0.433 299 C N -3.708 115.272 119.300 -0.533 0.000 2.505 299 C HA 0.787 5.241 4.460 -0.009 0.000 0.358 299 C C 1.865 176.481 174.990 -0.623 0.000 1.226 299 C CA -0.107 58.669 59.018 -0.403 0.000 1.900 299 C CB 1.148 28.751 27.740 -0.229 0.000 2.306 299 C HN 0.566 nan 8.230 nan 0.000 0.512 300 E N -0.784 119.226 120.200 -0.317 0.000 2.204 300 E HA -0.188 4.157 4.350 -0.009 0.000 0.195 300 E C 1.668 178.164 176.600 -0.175 0.000 0.990 300 E CA 1.988 58.288 56.400 -0.167 0.000 0.821 300 E CB -1.018 28.619 29.700 -0.105 0.000 0.750 300 E HN 0.892 nan 8.360 nan 0.000 0.477 301 H N -0.681 118.314 119.070 -0.125 0.000 2.387 301 H HA -0.014 4.536 4.556 -0.009 0.000 0.299 301 H C 2.338 177.599 175.328 -0.112 0.000 1.090 301 H CA 1.525 57.518 56.048 -0.092 0.000 1.332 301 H CB -0.425 29.286 29.762 -0.085 0.000 1.386 301 H HN 0.424 nan 8.280 nan 0.000 0.516 302 L N 0.104 121.244 121.223 -0.138 0.000 2.044 302 L HA -0.120 4.215 4.340 -0.009 0.000 0.205 302 L C 1.694 178.550 176.870 -0.023 0.000 1.075 302 L CA 1.138 55.881 54.840 -0.161 0.000 0.747 302 L CB -0.346 41.505 42.059 -0.346 0.000 0.903 302 L HN -0.039 nan 8.230 nan 0.000 0.435 303 F N -1.091 118.887 119.950 0.047 0.000 2.699 303 F HA -0.023 4.500 4.527 -0.008 0.000 0.298 303 F C 2.258 178.075 175.800 0.029 0.000 1.154 303 F CA 0.810 58.828 58.000 0.031 0.000 1.457 303 F CB -1.392 37.615 39.000 0.012 0.000 1.106 303 F HN 0.051 nan 8.300 nan 0.000 0.585 304 T N -0.756 113.904 114.554 0.177 0.000 3.046 304 T HA 0.242 4.587 4.350 -0.009 0.000 0.242 304 T C 0.965 175.719 174.700 0.090 0.000 1.018 304 T CA 0.151 62.323 62.100 0.120 0.000 1.131 304 T CB -0.015 68.917 68.868 0.106 0.000 0.904 304 T HN -0.077 nan 8.240 nan 0.000 0.459 305 L N 3.156 124.427 121.223 0.081 0.000 2.422 305 L HA 0.376 4.711 4.340 -0.009 0.000 0.256 305 L C -0.689 176.222 176.870 0.070 0.000 1.202 305 L CA -0.177 54.698 54.840 0.058 0.000 1.119 305 L CB -0.154 41.928 42.059 0.037 0.000 1.383 305 L HN 0.138 nan 8.230 nan 0.000 0.411 306 D N 1.188 121.635 120.400 0.078 0.000 3.033 306 D HA -0.065 4.570 4.640 -0.009 0.000 0.169 306 D C -2.203 174.171 176.300 0.122 0.000 1.048 306 D CA -0.301 53.755 54.000 0.094 0.000 0.907 306 D CB 0.212 41.072 40.800 0.100 0.000 0.751 306 D HN 0.150 nan 8.370 nan 0.000 0.396 307 P HA 0.027 nan 4.420 nan 0.000 0.245 307 P C 1.368 178.704 177.300 0.060 0.000 1.212 307 P CA 0.783 63.933 63.100 0.083 0.000 0.774 307 P CB 0.106 31.839 31.700 0.055 0.000 0.999 308 T N -4.273 110.323 114.554 0.070 0.000 3.023 308 T HA 0.038 4.383 4.350 -0.009 0.000 0.266 308 T C 0.807 175.555 174.700 0.079 0.000 1.093 308 T CA 0.213 62.350 62.100 0.062 0.000 1.129 308 T CB -0.766 68.141 68.868 0.064 0.000 0.899 308 T HN -0.172 nan 8.240 nan 0.000 0.491 309 V N 5.231 125.214 119.914 0.116 0.000 2.470 309 V HA 0.274 4.388 4.120 -0.009 0.000 0.276 309 V C -1.978 174.146 176.094 0.049 0.000 1.040 309 V CA -2.059 60.332 62.300 0.152 0.000 1.008 309 V CB 0.798 32.771 31.823 0.250 0.000 0.990 309 V HN 0.393 nan 8.190 nan 0.000 0.477 310 P HA 0.113 nan 4.420 nan 0.000 0.263 310 P C -2.411 174.555 177.300 -0.556 0.000 1.195 310 P CA -1.416 61.520 63.100 -0.272 0.000 0.762 310 P CB 0.088 31.555 31.700 -0.388 0.000 0.799 311 P HA 0.098 nan 4.420 nan 0.000 0.235 311 P C -0.355 176.301 177.300 -1.072 0.000 1.720 311 P CA 0.362 62.436 63.100 -1.710 0.000 1.003 311 P CB -0.156 31.011 31.700 -0.889 0.000 1.968 312 L N 3.638 124.421 121.223 -0.733 0.000 2.265 312 L HA 0.411 4.745 4.340 -0.009 0.000 0.289 312 L C -2.017 174.911 176.870 0.098 0.000 1.033 312 L CA -2.289 52.414 54.840 -0.228 0.000 0.814 312 L CB 1.627 43.595 42.059 -0.152 0.000 1.203 312 L HN 0.023 nan 8.230 nan 0.000 0.423 313 P HA 0.106 nan 4.420 nan 0.000 0.278 313 P C -0.820 176.612 177.300 0.220 0.000 1.266 313 P CA -0.537 62.716 63.100 0.254 0.000 0.807 313 P CB 0.529 32.330 31.700 0.167 0.000 1.094 314 F N 1.677 121.690 119.950 0.105 0.000 2.487 314 F HA 0.142 4.663 4.527 -0.009 0.000 0.364 314 F C 0.978 176.817 175.800 0.065 0.000 1.126 314 F CA -0.083 57.957 58.000 0.067 0.000 1.135 314 F CB -0.036 38.983 39.000 0.031 0.000 1.127 314 F HN 0.066 nan 8.300 nan 0.000 0.559 315 R N 4.844 125.141 120.500 -0.338 0.000 2.605 315 R HA -0.047 4.288 4.340 -0.009 0.000 0.271 315 R C 1.320 177.455 176.300 -0.276 0.000 1.418 315 R CA 0.027 55.991 56.100 -0.227 0.000 1.102 315 R CB 0.139 30.337 30.300 -0.171 0.000 1.131 315 R HN 0.713 nan 8.270 nan 0.000 0.554 316 E N 2.579 122.759 120.200 -0.033 0.000 2.153 316 E HA -0.238 4.107 4.350 -0.009 0.000 0.194 316 E C 1.651 178.317 176.600 0.111 0.000 0.988 316 E CA 1.625 58.119 56.400 0.157 0.000 0.811 316 E CB 0.267 30.114 29.700 0.245 0.000 0.746 316 E HN 0.571 nan 8.360 nan 0.000 0.466 317 E N 0.088 120.313 120.200 0.041 0.000 2.110 317 E HA -0.152 4.192 4.350 -0.009 0.000 0.193 317 E C 2.029 178.633 176.600 0.007 0.000 0.988 317 E CA 1.525 57.938 56.400 0.023 0.000 0.804 317 E CB -0.396 29.310 29.700 0.010 0.000 0.745 317 E HN 0.277 nan 8.360 nan 0.000 0.458 318 V N 0.563 120.469 119.914 -0.014 0.000 2.407 318 V HA -0.201 3.914 4.120 -0.009 0.000 0.245 318 V C 2.316 178.430 176.094 0.033 0.000 1.041 318 V CA 1.561 63.854 62.300 -0.012 0.000 1.040 318 V CB -0.942 30.854 31.823 -0.046 0.000 0.671 318 V HN 0.205 nan 8.190 nan 0.000 0.455 319 Y N 1.947 122.191 120.300 -0.094 0.000 2.114 319 Y HA -0.167 4.377 4.550 -0.009 0.000 0.284 319 Y C 2.471 178.403 175.900 0.053 0.000 1.143 319 Y CA 1.625 59.723 58.100 -0.004 0.000 1.135 319 Y CB -0.176 38.317 38.460 0.055 0.000 0.980 319 Y HN 0.066 nan 8.280 nan 0.000 0.499 320 R N 0.469 120.892 120.500 -0.128 0.000 2.319 320 R HA 0.065 4.399 4.340 -0.009 0.000 0.204 320 R C 0.828 177.052 176.300 -0.127 0.000 0.954 320 R CA 0.295 56.269 56.100 -0.211 0.000 1.066 320 R CB -0.342 29.931 30.300 -0.045 0.000 0.991 320 R HN 0.130 nan 8.270 nan 0.000 0.486 321 S N 0.660 116.308 115.700 -0.086 0.000 2.572 321 S HA 0.052 4.517 4.470 -0.009 0.000 0.279 321 S C 0.957 175.539 174.600 -0.030 0.000 1.341 321 S CA -0.199 57.978 58.200 -0.038 0.000 1.043 321 S CB 0.702 63.895 63.200 -0.011 0.000 0.887 321 S HN 0.373 nan 8.310 nan 0.000 0.516 322 S N 1.081 116.778 115.700 -0.005 0.000 2.847 322 S HA 0.290 4.755 4.470 -0.009 0.000 0.254 322 S C 0.597 175.218 174.600 0.034 0.000 1.039 322 S CA -0.344 57.866 58.200 0.017 0.000 1.113 322 S CB -0.038 63.161 63.200 -0.000 0.000 1.092 322 S HN 0.904 nan 8.310 nan 0.000 0.620 323 R N 3.352 123.870 120.500 0.031 0.000 2.585 323 R HA 0.521 4.855 4.340 -0.009 0.000 0.275 323 R C -2.446 173.902 176.300 0.080 0.000 1.018 323 R CA -0.956 55.164 56.100 0.035 0.000 1.072 323 R CB -1.542 28.772 30.300 0.023 0.000 0.953 323 R HN 0.414 nan 8.270 nan 0.000 0.419 324 P HA 0.306 nan 4.420 nan 0.000 0.272 324 P C -0.817 176.599 177.300 0.193 0.000 1.230 324 P CA -0.358 62.820 63.100 0.131 0.000 0.788 324 P CB 0.691 32.372 31.700 -0.033 0.000 0.949 325 L N 1.966 123.413 121.223 0.374 0.000 2.362 325 L HA 0.426 4.761 4.340 -0.009 0.000 0.275 325 L C 0.905 177.799 176.870 0.040 0.000 0.998 325 L CA -0.841 54.070 54.840 0.119 0.000 0.820 325 L CB 1.821 43.860 42.059 -0.033 0.000 1.270 325 L HN 0.204 nan 8.230 nan 0.000 0.415 326 R N 3.049 123.518 120.500 -0.052 0.000 2.291 326 R HA 0.295 4.629 4.340 -0.009 0.000 0.333 326 R C -1.019 175.144 176.300 -0.229 0.000 1.082 326 R CA -0.333 55.702 56.100 -0.109 0.000 0.948 326 R CB 0.615 30.843 30.300 -0.120 0.000 1.009 326 R HN 0.264 nan 8.270 nan 0.000 0.460 327 V N 2.953 122.745 119.914 -0.203 0.000 2.313 327 V HA 0.250 4.365 4.120 -0.009 0.000 0.278 327 V C 0.937 176.923 176.094 -0.180 0.000 1.017 327 V CA -0.907 61.214 62.300 -0.299 0.000 0.823 327 V CB 1.496 33.169 31.823 -0.250 0.000 1.010 327 V HN 0.893 nan 8.190 nan 0.000 0.443 328 G N 4.384 112.985 108.800 -0.331 0.000 2.432 328 G HA2 0.343 4.298 3.960 -0.009 0.000 0.239 328 G HA3 0.343 4.298 3.960 -0.009 0.000 0.239 328 G C -0.766 174.185 174.900 0.085 0.000 1.291 328 G CA 0.224 45.218 45.100 -0.176 0.000 0.863 328 G HN 0.976 nan 8.290 nan 0.000 0.560 329 Y N 0.451 120.778 120.300 0.044 0.000 2.597 329 Y HA 0.717 5.262 4.550 -0.009 0.000 0.340 329 Y C -1.166 174.835 175.900 0.167 0.000 1.097 329 Y CA -2.044 56.069 58.100 0.021 0.000 1.037 329 Y CB 1.478 39.943 38.460 0.009 0.000 1.305 329 Y HN 0.797 nan 8.280 nan 0.000 0.463 330 Y N -0.768 119.613 120.300 0.136 0.000 2.588 330 Y HA 0.611 5.155 4.550 -0.009 0.000 0.343 330 Y C 0.009 176.039 175.900 0.217 0.000 1.065 330 Y CA -1.295 56.834 58.100 0.050 0.000 1.038 330 Y CB 2.001 40.490 38.460 0.049 0.000 1.297 330 Y HN 0.731 nan 8.280 nan 0.000 0.467 331 E N 0.255 120.692 120.200 0.395 0.000 2.250 331 E HA 0.071 4.415 4.350 -0.009 0.000 0.192 331 E C -0.058 176.784 176.600 0.402 0.000 0.986 331 E CA 1.002 57.603 56.400 0.336 0.000 0.849 331 E CB 0.603 30.463 29.700 0.266 0.000 0.797 331 E HN 0.666 nan 8.360 nan 0.000 0.482 332 T N -0.449 114.407 114.554 0.503 0.000 2.840 332 T HA 0.065 4.409 4.350 -0.009 0.000 0.317 332 T C -1.201 173.718 174.700 0.365 0.000 1.401 332 T CA -0.697 61.733 62.100 0.549 0.000 1.028 332 T CB 1.431 70.573 68.868 0.456 0.000 1.317 332 T HN 0.001 nan 8.240 nan 0.000 0.495 333 D N 1.363 121.910 120.400 0.244 0.000 2.340 333 D HA 0.118 4.752 4.640 -0.009 0.000 0.217 333 D C 0.398 176.645 176.300 -0.087 0.000 1.081 333 D CA -0.137 53.767 54.000 -0.160 0.000 0.842 333 D CB -0.880 39.679 40.800 -0.403 0.000 0.934 333 D HN 0.828 nan 8.370 nan 0.000 0.511 334 N N -1.250 117.438 118.700 -0.020 0.000 2.735 334 N HA -0.291 4.443 4.740 -0.009 0.000 0.248 334 N C -0.652 174.911 175.510 0.088 0.000 1.083 334 N CA 0.786 53.684 53.050 -0.253 0.000 0.703 334 N CB -1.483 36.829 38.487 -0.293 0.000 1.005 334 N HN 0.401 nan 8.380 nan 0.000 0.550 335 Y N -0.933 119.525 120.300 0.265 0.000 3.196 335 Y HA 0.204 4.749 4.550 -0.008 0.000 0.151 335 Y C 0.372 176.574 175.900 0.504 0.000 0.881 335 Y CA 0.225 58.561 58.100 0.394 0.000 1.879 335 Y CB 0.570 39.063 38.460 0.054 0.000 1.346 335 Y HN -0.048 nan 8.280 nan 0.000 0.308 336 T N 3.892 118.708 114.554 0.435 0.000 2.761 336 T HA 0.221 4.565 4.350 -0.009 0.000 0.296 336 T C -0.174 174.783 174.700 0.430 0.000 0.934 336 T CA -0.269 62.059 62.100 0.380 0.000 1.091 336 T CB 0.334 69.441 68.868 0.398 0.000 0.896 336 T HN 0.248 nan 8.240 nan 0.000 0.515 337 M N 5.311 124.960 119.600 0.082 0.000 2.252 337 M HA 0.142 4.617 4.480 -0.009 0.000 0.348 337 M C -2.171 174.292 176.300 0.273 0.000 1.334 337 M CA -1.397 53.816 55.300 -0.145 0.000 1.071 337 M CB 0.526 32.714 32.600 -0.686 0.000 1.763 337 M HN 0.257 nan 8.290 nan 0.000 0.452 338 P HA 0.056 nan 4.420 nan 0.000 0.269 338 P C -1.062 176.400 177.300 0.272 0.000 1.209 338 P CA -0.263 62.980 63.100 0.237 0.000 0.776 338 P CB 0.476 32.290 31.700 0.191 0.000 0.876 339 S N 3.647 119.462 115.700 0.191 0.000 2.579 339 S HA 0.143 4.608 4.470 -0.009 0.000 0.275 339 S C -1.385 173.280 174.600 0.109 0.000 1.345 339 S CA -0.791 57.490 58.200 0.136 0.000 1.031 339 S CB -0.300 62.904 63.200 0.006 0.000 0.892 339 S HN 0.369 nan 8.310 nan 0.000 0.529 340 P HA -0.210 nan 4.420 nan 0.000 0.217 340 P C 1.412 178.734 177.300 0.035 0.000 1.148 340 P CA 1.935 65.075 63.100 0.066 0.000 0.834 340 P CB -0.317 31.417 31.700 0.057 0.000 0.783 341 A N -0.581 122.247 122.820 0.014 0.000 1.902 341 A HA -0.141 4.173 4.320 -0.009 0.000 0.217 341 A C 2.423 180.003 177.584 -0.007 0.000 1.181 341 A CA 1.845 53.877 52.037 -0.008 0.000 0.623 341 A CB -1.357 17.622 19.000 -0.034 0.000 0.818 341 A HN 0.106 nan 8.150 nan 0.000 0.443 342 M N -1.463 118.138 119.600 0.002 0.000 2.132 342 M HA -0.134 4.341 4.480 -0.009 0.000 0.263 342 M C 2.360 178.665 176.300 0.008 0.000 1.065 342 M CA 1.996 57.290 55.300 -0.010 0.000 1.122 342 M CB -0.165 32.425 32.600 -0.016 0.000 1.365 342 M HN 0.514 nan 8.290 nan 0.000 0.411 343 R N 0.145 120.669 120.500 0.041 0.000 2.062 343 R HA -0.086 4.248 4.340 -0.009 0.000 0.231 343 R C 2.228 178.554 176.300 0.044 0.000 1.136 343 R CA 1.562 57.700 56.100 0.063 0.000 0.948 343 R CB -0.308 30.042 30.300 0.085 0.000 0.845 343 R HN 0.167 nan 8.270 nan 0.000 0.430 344 R N -0.035 120.483 120.500 0.030 0.000 2.103 344 R HA -0.161 4.174 4.340 -0.009 0.000 0.242 344 R C 2.153 178.455 176.300 0.003 0.000 1.142 344 R CA 1.653 57.762 56.100 0.016 0.000 0.960 344 R CB -0.449 29.858 30.300 0.010 0.000 0.858 344 R HN 0.400 nan 8.270 nan 0.000 0.439 345 A N 1.493 124.309 122.820 -0.006 0.000 1.859 345 A HA -0.216 4.098 4.320 -0.009 0.000 0.217 345 A C 2.121 179.695 177.584 -0.018 0.000 1.198 345 A CA 1.376 53.401 52.037 -0.020 0.000 0.629 345 A CB -0.912 18.069 19.000 -0.031 0.000 0.830 345 A HN 0.370 nan 8.150 nan 0.000 0.446 346 L N -0.454 120.766 121.223 -0.005 0.000 1.989 346 L HA -0.170 4.164 4.340 -0.009 0.000 0.211 346 L C 2.453 179.322 176.870 -0.001 0.000 1.071 346 L CA 2.341 57.184 54.840 0.006 0.000 0.749 346 L CB -0.840 41.244 42.059 0.043 0.000 0.890 346 L HN 0.468 nan 8.230 nan 0.000 0.431 347 I N -0.053 120.525 120.570 0.013 0.000 2.361 347 I HA -0.292 3.873 4.170 -0.009 0.000 0.251 347 I C 2.471 178.570 176.117 -0.030 0.000 1.133 347 I CA 1.071 62.368 61.300 -0.004 0.000 1.413 347 I CB 0.019 38.037 38.000 0.029 0.000 1.073 347 I HN 0.352 nan 8.210 nan 0.000 0.424 348 E N -0.440 119.747 120.200 -0.021 0.000 2.046 348 E HA -0.223 4.122 4.350 -0.009 0.000 0.190 348 E C 2.187 178.766 176.600 -0.035 0.000 0.982 348 E CA 1.783 58.168 56.400 -0.024 0.000 0.800 348 E CB -0.136 29.554 29.700 -0.017 0.000 0.756 348 E HN 0.466 nan 8.360 nan 0.000 0.449 349 T N 0.362 114.891 114.554 -0.042 0.000 2.962 349 T HA -0.129 4.215 4.350 -0.009 0.000 0.270 349 T C 1.795 176.461 174.700 -0.057 0.000 1.088 349 T CA 1.062 63.131 62.100 -0.052 0.000 1.127 349 T CB -0.011 68.814 68.868 -0.072 0.000 0.883 349 T HN -0.034 nan 8.240 nan 0.000 0.493 350 K N 0.387 120.735 120.400 -0.086 0.000 2.026 350 K HA -0.159 4.156 4.320 -0.009 0.000 0.208 350 K C 2.444 178.972 176.600 -0.120 0.000 1.048 350 K CA 1.650 57.839 56.287 -0.164 0.000 0.929 350 K CB -0.307 32.007 32.500 -0.310 0.000 0.713 350 K HN 0.458 nan 8.250 nan 0.000 0.439 351 Q N -0.028 119.723 119.800 -0.083 0.000 2.046 351 Q HA -0.051 4.283 4.340 -0.009 0.000 0.200 351 Q C 2.277 178.263 176.000 -0.024 0.000 0.975 351 Q CA 1.400 57.172 55.803 -0.050 0.000 0.836 351 Q CB 0.108 28.825 28.738 -0.035 0.000 0.896 351 Q HN 0.204 nan 8.270 nan 0.000 0.428 352 R N -0.010 120.480 120.500 -0.017 0.000 2.115 352 R HA -0.072 4.262 4.340 -0.009 0.000 0.230 352 R C 2.224 178.545 176.300 0.035 0.000 1.111 352 R CA 0.831 56.932 56.100 0.001 0.000 0.976 352 R CB -0.352 29.943 30.300 -0.008 0.000 0.870 352 R HN 0.333 nan 8.270 nan 0.000 0.445 353 L N 0.416 121.667 121.223 0.047 0.000 2.141 353 L HA -0.145 4.189 4.340 -0.009 0.000 0.209 353 L C 2.276 179.252 176.870 0.177 0.000 1.094 353 L CA 1.245 56.177 54.840 0.153 0.000 0.763 353 L CB -0.234 41.890 42.059 0.108 0.000 0.908 353 L HN 0.196 nan 8.230 nan 0.000 0.437 354 E N -0.220 120.016 120.200 0.059 0.000 2.106 354 E HA -0.182 4.162 4.350 -0.009 0.000 0.192 354 E C 2.225 178.828 176.600 0.005 0.000 0.984 354 E CA 1.000 57.415 56.400 0.026 0.000 0.806 354 E CB -0.047 29.645 29.700 -0.012 0.000 0.750 354 E HN 0.474 nan 8.360 nan 0.000 0.458 355 A N 0.558 123.380 122.820 0.004 0.000 2.067 355 A HA 0.022 4.337 4.320 -0.009 0.000 0.219 355 A C 1.985 179.554 177.584 -0.024 0.000 1.158 355 A CA 1.327 53.359 52.037 -0.009 0.000 0.661 355 A CB -0.120 18.877 19.000 -0.005 0.000 0.801 355 A HN 0.247 nan 8.150 nan 0.000 0.452 356 A N -1.822 120.987 122.820 -0.019 0.000 2.460 356 A HA 0.475 4.789 4.320 -0.009 0.000 0.258 356 A C 1.439 178.854 177.584 -0.282 0.000 1.300 356 A CA 0.869 52.860 52.037 -0.076 0.000 0.913 356 A CB -0.804 18.208 19.000 0.020 0.000 1.031 356 A HN 1.744 nan 8.150 nan 0.000 0.512 357 G N -0.733 107.932 108.800 -0.225 0.000 2.159 357 G HA2 -0.212 3.742 3.960 -0.009 0.000 0.227 357 G HA3 -0.212 3.742 3.960 -0.009 0.000 0.227 357 G C -0.147 174.576 174.900 -0.296 0.000 0.986 357 G CA 0.216 45.163 45.100 -0.255 0.000 0.651 357 G HN 0.763 nan 8.290 nan 0.000 0.523 358 H N 0.660 119.731 119.070 0.003 0.000 2.527 358 H HA 0.564 5.114 4.556 -0.009 0.000 0.321 358 H C 0.693 176.016 175.328 -0.009 0.000 1.087 358 H CA 0.417 56.467 56.048 0.003 0.000 1.337 358 H CB 1.467 31.247 29.762 0.030 0.000 1.440 358 H HN 0.190 nan 8.280 nan 0.000 0.490 359 T N 4.342 118.953 114.554 0.095 0.000 2.779 359 T HA 0.154 4.498 4.350 -0.009 0.000 0.296 359 T C -0.248 174.477 174.700 0.042 0.000 0.938 359 T CA -0.752 61.375 62.100 0.046 0.000 1.119 359 T CB -0.054 68.826 68.868 0.021 0.000 0.891 359 T HN 0.322 nan 8.240 nan 0.000 0.526 360 L N 6.552 127.802 121.223 0.045 0.000 2.294 360 L HA 0.508 4.842 4.340 -0.009 0.000 0.283 360 L C -0.471 176.526 176.870 0.212 0.000 1.015 360 L CA -0.633 54.243 54.840 0.060 0.000 0.831 360 L CB 1.202 43.211 42.059 -0.084 0.000 1.217 360 L HN 0.750 nan 8.230 nan 0.000 0.420 361 I N 5.628 126.354 120.570 0.260 0.000 2.378 361 I HA 0.348 4.513 4.170 -0.009 0.000 0.291 361 I C -2.174 174.032 176.117 0.148 0.000 0.992 361 I CA -2.054 59.359 61.300 0.189 0.000 1.154 361 I CB 1.675 39.691 38.000 0.026 0.000 1.315 361 I HN 0.340 nan 8.210 nan 0.000 0.448 362 P HA 0.061 nan 4.420 nan 0.000 0.262 362 P C -1.047 176.245 177.300 -0.013 0.000 1.199 362 P CA 0.416 63.350 63.100 -0.278 0.000 0.763 362 P CB 0.033 31.645 31.700 -0.147 0.000 0.790 363 F N 5.152 124.989 119.950 -0.188 0.000 2.630 363 F HA 0.516 5.037 4.527 -0.010 0.000 0.325 363 F C -2.038 173.805 175.800 0.071 0.000 1.184 363 F CA -1.017 56.951 58.000 -0.053 0.000 1.011 363 F CB 1.172 40.128 39.000 -0.074 0.000 1.268 363 F HN 0.056 nan 8.300 nan 0.000 0.480 364 L N 8.671 129.555 121.223 -0.565 0.000 2.381 364 L HA 0.716 5.050 4.340 -0.009 0.000 0.274 364 L C -2.572 173.823 176.870 -0.792 0.000 0.988 364 L CA -1.969 52.513 54.840 -0.596 0.000 0.824 364 L CB 1.835 43.653 42.059 -0.402 0.000 1.263 364 L HN 0.350 nan 8.230 nan 0.000 0.410 365 P HA 0.165 nan 4.420 nan 0.000 0.268 365 P C -1.272 175.900 177.300 -0.213 0.000 1.204 365 P CA -0.148 62.719 63.100 -0.389 0.000 0.768 365 P CB 0.196 31.820 31.700 -0.126 0.000 0.842 366 N N 1.605 120.247 118.700 -0.098 0.000 2.453 366 N HA -0.017 4.717 4.740 -0.009 0.000 0.253 366 N C -0.353 175.231 175.510 0.125 0.000 1.252 366 N CA -0.402 52.649 53.050 0.000 0.000 0.917 366 N CB -0.626 37.883 38.487 0.037 0.000 1.117 366 N HN 0.324 nan 8.380 nan 0.000 0.442 367 N N -0.634 118.096 118.700 0.051 0.000 2.727 367 N HA -0.218 4.517 4.740 -0.009 0.000 0.249 367 N C 0.108 175.596 175.510 -0.037 0.000 1.048 367 N CA 0.583 53.661 53.050 0.046 0.000 0.714 367 N CB -1.186 37.376 38.487 0.125 0.000 0.959 367 N HN 0.571 nan 8.380 nan 0.000 0.544 368 I N 0.205 120.723 120.570 -0.086 0.000 2.145 368 I HA -0.249 3.915 4.170 -0.009 0.000 0.244 368 I C -0.487 175.481 176.117 -0.248 0.000 1.075 368 I CA 1.690 62.875 61.300 -0.192 0.000 1.332 368 I CB -0.702 37.160 38.000 -0.229 0.000 1.033 368 I HN 0.258 nan 8.210 nan 0.000 0.410 369 P HA -0.232 nan 4.420 nan 0.000 0.215 369 P C 1.552 178.814 177.300 -0.063 0.000 1.153 369 P CA 1.516 64.585 63.100 -0.051 0.000 0.853 369 P CB -0.198 31.585 31.700 0.137 0.000 0.788 370 Y N 0.762 120.949 120.300 -0.190 0.000 2.293 370 Y HA -0.077 4.466 4.550 -0.012 0.000 0.291 370 Y C 2.304 177.997 175.900 -0.345 0.000 1.137 370 Y CA 1.175 59.141 58.100 -0.224 0.000 1.202 370 Y CB -1.059 37.270 38.460 -0.219 0.000 0.990 370 Y HN -0.118 nan 8.280 nan 0.000 0.537 371 A N 0.025 122.517 122.820 -0.545 0.000 1.897 371 A HA -0.055 4.259 4.320 -0.009 0.000 0.215 371 A C 2.228 179.511 177.584 -0.501 0.000 1.181 371 A CA 1.617 53.213 52.037 -0.735 0.000 0.620 371 A CB -0.902 17.672 19.000 -0.710 0.000 0.821 371 A HN 0.498 nan 8.150 nan 0.000 0.443 372 L N -1.150 119.813 121.223 -0.434 0.000 2.049 372 L HA -0.080 4.255 4.340 -0.009 0.000 0.203 372 L C 2.526 179.247 176.870 -0.248 0.000 1.074 372 L CA 1.509 56.116 54.840 -0.390 0.000 0.749 372 L CB -0.660 41.042 42.059 -0.596 0.000 0.907 372 L HN 0.355 nan 8.230 nan 0.000 0.439 373 E N -0.266 119.827 120.200 -0.178 0.000 2.076 373 E HA -0.155 4.189 4.350 -0.009 0.000 0.190 373 E C 2.171 178.751 176.600 -0.034 0.000 0.979 373 E CA 1.286 57.671 56.400 -0.025 0.000 0.807 373 E CB 0.140 29.878 29.700 0.063 0.000 0.761 373 E HN 0.350 nan 8.360 nan 0.000 0.454 374 V N -0.112 119.734 119.914 -0.113 0.000 2.581 374 V HA -0.013 4.101 4.120 -0.009 0.000 0.240 374 V C 1.801 177.764 176.094 -0.218 0.000 1.054 374 V CA 0.709 62.938 62.300 -0.119 0.000 1.076 374 V CB -0.131 31.685 31.823 -0.012 0.000 0.748 374 V HN 0.157 nan 8.190 nan 0.000 0.474 375 L N 0.583 121.568 121.223 -0.398 0.000 2.044 375 L HA -0.003 4.331 4.340 -0.009 0.000 0.205 375 L C 2.757 179.480 176.870 -0.245 0.000 1.075 375 L CA 1.850 56.469 54.840 -0.367 0.000 0.747 375 L CB -0.803 40.935 42.059 -0.536 0.000 0.903 375 L HN 0.332 nan 8.230 nan 0.000 0.435 376 S N 0.163 115.712 115.700 -0.253 0.000 2.336 376 S HA -0.008 4.457 4.470 -0.009 0.000 0.216 376 S C 2.159 176.652 174.600 -0.179 0.000 1.032 376 S CA 0.972 59.047 58.200 -0.209 0.000 0.973 376 S CB -0.275 62.788 63.200 -0.228 0.000 0.888 376 S HN 0.414 nan 8.310 nan 0.000 0.455 377 A N 1.285 124.024 122.820 -0.136 0.000 1.968 377 A HA 0.205 4.520 4.320 -0.009 0.000 0.217 377 A C 2.176 179.729 177.584 -0.052 0.000 1.169 377 A CA 1.465 53.453 52.037 -0.081 0.000 0.638 377 A CB -1.053 17.999 19.000 0.086 0.000 0.812 377 A HN 0.514 nan 8.150 nan 0.000 0.446 378 G N -1.019 107.758 108.800 -0.038 0.000 2.623 378 G HA2 0.211 4.165 3.960 -0.009 0.000 0.214 378 G HA3 0.211 4.165 3.960 -0.009 0.000 0.214 378 G C 1.319 176.205 174.900 -0.023 0.000 1.138 378 G CA 1.012 46.110 45.100 -0.003 0.000 0.794 378 G HN 0.612 nan 8.290 nan 0.000 0.535 379 G N 0.803 109.558 108.800 -0.075 0.000 2.430 379 G HA2 -0.036 3.919 3.960 -0.009 0.000 0.216 379 G HA3 -0.036 3.919 3.960 -0.009 0.000 0.216 379 G C 1.682 176.532 174.900 -0.083 0.000 1.146 379 G CA 0.268 45.327 45.100 -0.068 0.000 0.793 379 G HN 0.389 nan 8.290 nan 0.000 0.537 380 L N -0.784 120.333 121.223 -0.177 0.000 2.131 380 L HA 0.186 4.520 4.340 -0.009 0.000 0.206 380 L C 1.320 178.060 176.870 -0.218 0.000 1.087 380 L CA 0.565 55.227 54.840 -0.296 0.000 0.767 380 L CB -0.103 41.621 42.059 -0.559 0.000 0.917 380 L HN 0.082 nan 8.230 nan 0.000 0.441 381 F N -0.602 119.307 119.950 -0.068 0.000 2.837 381 F HA 0.202 4.723 4.527 -0.010 0.000 0.298 381 F C 1.975 177.742 175.800 -0.054 0.000 1.161 381 F CA -0.510 57.441 58.000 -0.082 0.000 1.353 381 F CB -0.517 38.411 39.000 -0.120 0.000 0.951 381 F HN -0.134 nan 8.300 nan 0.000 0.508 382 S N 0.082 115.861 115.700 0.132 0.000 2.419 382 S HA -0.173 4.291 4.470 -0.009 0.000 0.233 382 S C 1.815 176.453 174.600 0.064 0.000 1.016 382 S CA 1.645 59.890 58.200 0.076 0.000 0.974 382 S CB -0.161 63.071 63.200 0.055 0.000 0.786 382 S HN 0.594 nan 8.310 nan 0.000 0.492 383 D N -0.463 119.985 120.400 0.080 0.000 2.349 383 D HA 0.181 4.815 4.640 -0.009 0.000 0.214 383 D C 1.234 177.555 176.300 0.034 0.000 1.063 383 D CA 0.803 54.838 54.000 0.057 0.000 0.847 383 D CB -0.059 40.785 40.800 0.073 0.000 0.933 383 D HN 0.392 nan 8.370 nan 0.000 0.513 384 G N 0.239 109.049 108.800 0.016 0.000 2.199 384 G HA2 -0.223 3.732 3.960 -0.009 0.000 0.254 384 G HA3 -0.223 3.732 3.960 -0.009 0.000 0.254 384 G C 1.183 176.002 174.900 -0.135 0.000 0.982 384 G CA 0.391 45.451 45.100 -0.067 0.000 0.632 384 G HN 1.386 nan 8.290 nan 0.000 0.529 385 G N -1.691 107.100 108.800 -0.015 0.000 2.132 385 G HA2 0.160 4.115 3.960 -0.009 0.000 0.234 385 G HA3 0.160 4.115 3.960 -0.009 0.000 0.234 385 G C 1.238 176.217 174.900 0.132 0.000 0.989 385 G CA 1.551 46.676 45.100 0.041 0.000 0.676 385 G HN 1.945 nan 8.290 nan 0.000 0.522 386 R N 0.474 121.027 120.500 0.088 0.000 2.073 386 R HA 0.145 4.479 4.340 -0.009 0.000 0.234 386 R C 2.800 179.172 176.300 0.120 0.000 1.134 386 R CA 2.709 58.860 56.100 0.086 0.000 0.952 386 R CB -1.424 28.907 30.300 0.051 0.000 0.850 386 R HN 0.918 nan 8.270 nan 0.000 0.433 387 S N 0.086 115.869 115.700 0.139 0.000 2.370 387 S HA -0.115 4.350 4.470 -0.009 0.000 0.226 387 S C 1.824 176.532 174.600 0.181 0.000 1.033 387 S CA 1.344 59.627 58.200 0.139 0.000 1.011 387 S CB -0.480 62.800 63.200 0.134 0.000 0.852 387 S HN 0.609 nan 8.310 nan 0.000 0.457 388 F N 2.010 122.015 119.950 0.092 0.000 2.146 388 F HA 0.064 4.585 4.527 -0.009 0.000 0.298 388 F C 1.772 177.706 175.800 0.222 0.000 1.096 388 F CA 1.107 59.193 58.000 0.143 0.000 1.275 388 F CB -0.252 38.865 39.000 0.196 0.000 1.008 388 F HN 0.066 nan 8.300 nan 0.000 0.480 389 L N -0.107 121.265 121.223 0.249 0.000 2.376 389 L HA -0.145 4.190 4.340 -0.009 0.000 0.219 389 L C 2.183 179.120 176.870 0.111 0.000 1.133 389 L CA 0.775 55.722 54.840 0.178 0.000 0.816 389 L CB -0.494 41.647 42.059 0.136 0.000 0.933 389 L HN 0.234 nan 8.230 nan 0.000 0.449 390 Q N 0.138 119.971 119.800 0.056 0.000 2.297 390 Q HA -0.145 4.189 4.340 -0.009 0.000 0.204 390 Q C 1.661 177.625 176.000 -0.060 0.000 0.962 390 Q CA 1.210 57.019 55.803 0.010 0.000 0.879 390 Q CB 0.072 28.820 28.738 0.018 0.000 0.947 390 Q HN 0.527 nan 8.270 nan 0.000 0.462 391 N N -1.289 117.314 118.700 -0.161 0.000 2.381 391 N HA -0.086 4.649 4.740 -0.009 0.000 0.182 391 N C 0.215 175.439 175.510 -0.477 0.000 1.025 391 N CA 0.718 53.549 53.050 -0.365 0.000 0.888 391 N CB 0.106 38.234 38.487 -0.598 0.000 0.965 391 N HN 0.170 nan 8.380 nan 0.000 0.438 392 F N 0.792 120.632 119.950 -0.184 0.000 2.695 392 F HA 0.250 4.772 4.527 -0.010 0.000 0.303 392 F C 0.527 176.265 175.800 -0.103 0.000 1.091 392 F CA -0.309 57.602 58.000 -0.148 0.000 1.300 392 F CB 0.224 39.122 39.000 -0.170 0.000 1.071 392 F HN -0.270 nan 8.300 nan 0.000 0.578 393 K N 0.555 120.978 120.400 0.038 0.000 2.419 393 K HA 0.278 4.592 4.320 -0.009 0.000 0.282 393 K C 1.144 177.726 176.600 -0.031 0.000 1.056 393 K CA 0.906 57.194 56.287 0.002 0.000 1.035 393 K CB -0.170 32.323 32.500 -0.012 0.000 0.921 393 K HN 0.380 nan 8.250 nan 0.000 0.472 394 G N 2.642 111.415 108.800 -0.045 0.000 2.143 394 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.249 394 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.249 394 G C -0.199 174.625 174.900 -0.127 0.000 0.981 394 G CA 0.033 45.079 45.100 -0.091 0.000 0.665 394 G HN 0.632 nan 8.290 nan 0.000 0.528 395 D N -0.676 119.684 120.400 -0.068 0.000 2.268 395 D HA 0.625 5.259 4.640 -0.009 0.000 0.249 395 D C 0.559 176.842 176.300 -0.030 0.000 1.008 395 D CA -0.633 53.352 54.000 -0.026 0.000 0.939 395 D CB 0.628 41.461 40.800 0.056 0.000 1.170 395 D HN -0.016 nan 8.370 nan 0.000 0.468 396 F N 0.291 120.273 119.950 0.053 0.000 2.459 396 F HA 0.135 4.656 4.527 -0.009 0.000 0.346 396 F C 0.811 176.678 175.800 0.110 0.000 1.128 396 F CA -0.423 57.611 58.000 0.056 0.000 1.268 396 F CB 0.781 39.798 39.000 0.029 0.000 1.161 396 F HN -0.048 nan 8.300 nan 0.000 0.583 397 V N 0.092 120.173 119.914 0.277 0.000 2.370 397 V HA 0.377 4.492 4.120 -0.009 0.000 0.283 397 V C -0.626 175.554 176.094 0.144 0.000 1.023 397 V CA -0.969 61.438 62.300 0.178 0.000 0.857 397 V CB 1.100 32.933 31.823 0.015 0.000 0.985 397 V HN 0.697 nan 8.190 nan 0.000 0.443 398 D N 6.908 127.393 120.400 0.141 0.000 2.425 398 D HA 0.322 4.957 4.640 -0.009 0.000 0.247 398 D C -1.071 175.262 176.300 0.055 0.000 1.147 398 D CA -1.219 52.834 54.000 0.088 0.000 0.879 398 D CB 1.654 42.510 40.800 0.093 0.000 1.179 398 D HN 0.463 nan 8.370 nan 0.000 0.456 399 P HA -0.218 nan 4.420 nan 0.000 0.218 399 P C 1.566 178.869 177.300 0.004 0.000 1.146 399 P CA 0.795 63.904 63.100 0.015 0.000 0.820 399 P CB -0.373 31.330 31.700 0.004 0.000 0.778 400 C N -1.915 117.388 119.300 0.005 0.000 2.432 400 C HA 0.018 4.472 4.460 -0.009 0.000 0.280 400 C C 2.438 177.419 174.990 -0.014 0.000 1.353 400 C CA 0.066 59.074 59.018 -0.018 0.000 1.766 400 C CB -2.181 25.549 27.740 -0.017 0.000 1.924 400 C HN 0.024 nan 8.230 nan 0.000 0.509 401 L N 1.875 123.114 121.223 0.026 0.000 2.362 401 L HA 0.271 4.605 4.340 -0.009 0.000 0.219 401 L C 2.061 178.953 176.870 0.038 0.000 1.134 401 L CA 1.845 56.714 54.840 0.048 0.000 0.807 401 L CB -1.435 40.671 42.059 0.078 0.000 0.927 401 L HN 0.827 nan 8.230 nan 0.000 0.447 402 G N -0.607 108.206 108.800 0.022 0.000 2.514 402 G HA2 -0.319 3.636 3.960 -0.009 0.000 0.265 402 G HA3 -0.319 3.636 3.960 -0.009 0.000 0.265 402 G C 0.431 175.353 174.900 0.037 0.000 1.150 402 G CA 0.212 45.331 45.100 0.031 0.000 0.959 402 G HN 0.211 nan 8.290 nan 0.000 0.556 403 D N 0.453 120.889 120.400 0.061 0.000 2.402 403 D HA 0.213 4.848 4.640 -0.009 0.000 0.216 403 D C 2.265 178.592 176.300 0.045 0.000 1.128 403 D CA 0.061 54.089 54.000 0.045 0.000 0.833 403 D CB 0.691 41.520 40.800 0.050 0.000 0.971 403 D HN 0.245 nan 8.370 nan 0.000 0.503 404 L N 0.982 122.249 121.223 0.074 0.000 2.127 404 L HA -0.152 4.183 4.340 -0.009 0.000 0.211 404 L C 1.838 178.698 176.870 -0.017 0.000 1.089 404 L CA 1.409 56.297 54.840 0.080 0.000 0.757 404 L CB -0.156 41.999 42.059 0.160 0.000 0.899 404 L HN -0.047 nan 8.230 nan 0.000 0.434 405 I N -0.987 119.548 120.570 -0.060 0.000 2.286 405 I HA -0.234 3.931 4.170 -0.009 0.000 0.245 405 I C 2.449 178.499 176.117 -0.112 0.000 1.104 405 I CA 0.984 62.195 61.300 -0.147 0.000 1.397 405 I CB -1.304 36.502 38.000 -0.322 0.000 1.072 405 I HN 0.327 nan 8.210 nan 0.000 0.417 406 L N 1.198 122.375 121.223 -0.075 0.000 2.046 406 L HA -0.196 4.139 4.340 -0.009 0.000 0.208 406 L C 2.474 179.309 176.870 -0.058 0.000 1.077 406 L CA 2.053 56.860 54.840 -0.054 0.000 0.747 406 L CB -0.304 41.739 42.059 -0.027 0.000 0.896 406 L HN 0.118 nan 8.230 nan 0.000 0.432 407 I N -0.187 120.343 120.570 -0.066 0.000 2.286 407 I HA -0.309 3.855 4.170 -0.009 0.000 0.245 407 I C 2.503 178.514 176.117 -0.176 0.000 1.104 407 I CA 0.824 62.062 61.300 -0.102 0.000 1.397 407 I CB -0.163 37.781 38.000 -0.094 0.000 1.072 407 I HN 0.208 nan 8.210 nan 0.000 0.417 408 L N 0.131 121.228 121.223 -0.211 0.000 2.265 408 L HA -0.169 4.165 4.340 -0.009 0.000 0.215 408 L C 2.467 179.246 176.870 -0.151 0.000 1.117 408 L CA 1.218 55.907 54.840 -0.251 0.000 0.782 408 L CB -0.447 41.458 42.059 -0.257 0.000 0.914 408 L HN 0.166 nan 8.230 nan 0.000 0.441 409 R N -0.565 119.871 120.500 -0.107 0.000 2.240 409 R HA 0.115 4.449 4.340 -0.009 0.000 0.203 409 R C 0.441 176.697 176.300 -0.073 0.000 1.011 409 R CA -0.029 56.026 56.100 -0.074 0.000 1.007 409 R CB 0.020 30.283 30.300 -0.061 0.000 0.911 409 R HN 0.240 nan 8.270 nan 0.000 0.468 410 L N 3.297 124.471 121.223 -0.082 0.000 2.453 410 L HA 0.117 4.451 4.340 -0.009 0.000 0.272 410 L C -1.866 174.939 176.870 -0.108 0.000 1.182 410 L CA -1.866 52.934 54.840 -0.067 0.000 0.858 410 L CB 0.027 42.093 42.059 0.011 0.000 1.120 410 L HN -0.128 nan 8.230 nan 0.000 0.474 411 P HA 0.011 nan 4.420 nan 0.000 0.266 411 P C 0.251 177.410 177.300 -0.236 0.000 1.193 411 P CA -0.020 62.974 63.100 -0.176 0.000 0.770 411 P CB 0.669 32.233 31.700 -0.226 0.000 0.836 412 S N 1.948 117.589 115.700 -0.097 0.000 2.382 412 S HA -0.127 4.337 4.470 -0.009 0.000 0.228 412 S C 1.719 176.296 174.600 -0.037 0.000 1.027 412 S CA 1.042 59.205 58.200 -0.062 0.000 0.991 412 S CB -0.773 62.431 63.200 0.005 0.000 0.823 412 S HN 0.736 nan 8.310 nan 0.000 0.469 413 W N 0.799 122.129 121.300 0.050 0.000 2.342 413 W HA -0.125 4.530 4.660 -0.010 0.000 0.297 413 W C 1.684 178.272 176.519 0.115 0.000 1.213 413 W CA 0.550 57.934 57.345 0.065 0.000 1.251 413 W CB -0.947 28.550 29.460 0.062 0.000 1.136 413 W HN 0.290 nan 8.180 nan 0.000 0.526 414 F N 2.409 121.684 119.950 -1.125 0.000 2.335 414 F HA 0.079 4.600 4.527 -0.009 0.000 0.296 414 F C 2.464 177.987 175.800 -0.461 0.000 1.091 414 F CA 1.450 58.814 58.000 -1.060 0.000 1.399 414 F CB -0.469 37.712 39.000 -1.365 0.000 1.067 414 F HN -0.295 nan 8.300 nan 0.000 0.520 415 K N 0.433 120.607 120.400 -0.376 0.000 2.009 415 K HA -0.184 4.131 4.320 -0.009 0.000 0.210 415 K C 2.550 178.994 176.600 -0.261 0.000 1.049 415 K CA 2.348 58.444 56.287 -0.319 0.000 0.929 415 K CB -0.457 31.910 32.500 -0.222 0.000 0.714 415 K HN 0.183 nan 8.250 nan 0.000 0.440 416 R N 0.611 121.017 120.500 -0.157 0.000 2.092 416 R HA -0.025 4.310 4.340 -0.009 0.000 0.231 416 R C 2.151 178.408 176.300 -0.073 0.000 1.119 416 R CA 1.679 57.734 56.100 -0.076 0.000 0.970 416 R CB -1.376 28.925 30.300 0.002 0.000 0.864 416 R HN 0.256 nan 8.270 nan 0.000 0.440 417 L N 0.160 121.332 121.223 -0.086 0.000 2.005 417 L HA 0.048 4.382 4.340 -0.009 0.000 0.207 417 L C 2.491 179.258 176.870 -0.173 0.000 1.072 417 L CA 1.614 56.421 54.840 -0.055 0.000 0.744 417 L CB -0.367 41.749 42.059 0.094 0.000 0.895 417 L HN 0.390 nan 8.230 nan 0.000 0.433 418 L N -1.094 119.890 121.223 -0.398 0.000 2.013 418 L HA -0.287 4.047 4.340 -0.009 0.000 0.212 418 L C 2.764 179.514 176.870 -0.200 0.000 1.073 418 L CA 1.704 56.316 54.840 -0.381 0.000 0.753 418 L CB -0.651 41.060 42.059 -0.580 0.000 0.890 418 L HN 0.470 nan 8.230 nan 0.000 0.432 419 S N 0.348 115.943 115.700 -0.176 0.000 2.369 419 S HA -0.210 4.254 4.470 -0.009 0.000 0.225 419 S C 1.847 176.413 174.600 -0.056 0.000 1.043 419 S CA 1.940 60.083 58.200 -0.096 0.000 1.074 419 S CB -0.374 62.779 63.200 -0.080 0.000 0.962 419 S HN 0.479 nan 8.310 nan 0.000 0.433 420 L N -0.438 120.756 121.223 -0.048 0.000 2.478 420 L HA 0.264 4.598 4.340 -0.009 0.000 0.223 420 L C 2.119 178.974 176.870 -0.025 0.000 1.140 420 L CA 1.075 55.901 54.840 -0.025 0.000 0.842 420 L CB -0.757 41.296 42.059 -0.010 0.000 0.953 420 L HN 0.349 nan 8.230 nan 0.000 0.452 421 L N -0.273 120.927 121.223 -0.037 0.000 2.270 421 L HA -0.055 4.279 4.340 -0.009 0.000 0.210 421 L C 2.275 179.131 176.870 -0.023 0.000 1.104 421 L CA 0.425 55.248 54.840 -0.028 0.000 0.804 421 L CB 0.079 42.118 42.059 -0.033 0.000 0.937 421 L HN 0.241 nan 8.230 nan 0.000 0.450 422 L N 0.009 121.221 121.223 -0.019 0.000 2.270 422 L HA -0.054 4.281 4.340 -0.009 0.000 0.210 422 L C 2.907 179.770 176.870 -0.011 0.000 1.104 422 L CA 1.759 56.611 54.840 0.020 0.000 0.804 422 L CB -1.235 40.851 42.059 0.044 0.000 0.937 422 L HN 0.130 nan 8.230 nan 0.000 0.450 423 K N 0.812 121.200 120.400 -0.019 0.000 2.113 423 K HA -0.143 4.171 4.320 -0.009 0.000 0.208 423 K C 0.010 176.585 176.600 -0.042 0.000 1.047 423 K CA 1.892 58.168 56.287 -0.018 0.000 0.928 423 K CB -2.562 29.933 32.500 -0.007 0.000 0.716 423 K HN 0.481 nan 8.250 nan 0.000 0.446 424 P HA -0.008 nan 4.420 nan 0.000 0.226 424 P C 0.631 177.830 177.300 -0.168 0.000 1.153 424 P CA 0.640 63.686 63.100 -0.091 0.000 0.777 424 P CB 0.260 31.913 31.700 -0.078 0.000 0.794 425 L N -2.205 118.862 121.223 -0.260 0.000 2.588 425 L HA 0.306 4.641 4.340 -0.009 0.000 0.194 425 L C 0.696 177.111 176.870 -0.759 0.000 1.070 425 L CA 1.046 55.522 54.840 -0.607 0.000 0.852 425 L CB -0.426 41.123 42.059 -0.849 0.000 1.199 425 L HN -0.233 nan 8.230 nan 0.000 0.486 426 F N 0.854 120.785 119.950 -0.031 0.000 2.564 426 F HA 0.377 4.898 4.527 -0.010 0.000 0.361 426 F C -1.636 174.120 175.800 -0.073 0.000 1.161 426 F CA -1.420 56.549 58.000 -0.052 0.000 1.198 426 F CB 0.741 39.669 39.000 -0.119 0.000 1.424 426 F HN -0.055 nan 8.300 nan 0.000 0.517 427 P HA -0.117 nan 4.420 nan 0.000 0.221 427 P C 1.505 178.814 177.300 0.015 0.000 1.150 427 P CA 1.110 64.247 63.100 0.061 0.000 0.800 427 P CB 0.323 32.084 31.700 0.103 0.000 0.787 428 R N -0.657 119.783 120.500 -0.100 0.000 2.083 428 R HA -0.092 4.243 4.340 -0.009 0.000 0.237 428 R C 2.263 178.494 176.300 -0.115 0.000 1.137 428 R CA 1.171 57.168 56.100 -0.171 0.000 0.951 428 R CB -1.037 28.989 30.300 -0.456 0.000 0.851 428 R HN 0.192 nan 8.270 nan 0.000 0.434 429 L N 0.305 121.366 121.223 -0.271 0.000 2.093 429 L HA -0.078 4.256 4.340 -0.009 0.000 0.208 429 L C 2.490 179.351 176.870 -0.014 0.000 1.085 429 L CA 1.733 56.408 54.840 -0.275 0.000 0.755 429 L CB -0.941 40.911 42.059 -0.345 0.000 0.904 429 L HN 0.148 nan 8.230 nan 0.000 0.435 430 A N -0.643 122.179 122.820 0.003 0.000 1.877 430 A HA -0.172 4.143 4.320 -0.009 0.000 0.216 430 A C 2.485 180.098 177.584 0.049 0.000 1.186 430 A CA 1.900 53.948 52.037 0.018 0.000 0.620 430 A CB -0.925 18.086 19.000 0.018 0.000 0.822 430 A HN 0.386 nan 8.150 nan 0.000 0.443 431 A N -1.463 121.410 122.820 0.088 0.000 1.930 431 A HA -0.035 4.280 4.320 -0.009 0.000 0.217 431 A C 2.095 179.801 177.584 0.203 0.000 1.175 431 A CA 1.343 53.455 52.037 0.125 0.000 0.627 431 A CB -0.734 18.348 19.000 0.137 0.000 0.815 431 A HN 0.640 nan 8.150 nan 0.000 0.443 432 F N 0.338 120.336 119.950 0.081 0.000 2.091 432 F HA -0.226 4.296 4.527 -0.010 0.000 0.299 432 F C 1.950 177.801 175.800 0.085 0.000 1.103 432 F CA 1.675 59.763 58.000 0.147 0.000 1.228 432 F CB -0.063 39.073 39.000 0.227 0.000 0.984 432 F HN 0.158 nan 8.300 nan 0.000 0.477 433 L N -0.023 121.192 121.223 -0.014 0.000 2.217 433 L HA -0.221 4.114 4.340 -0.009 0.000 0.211 433 L C 2.215 179.007 176.870 -0.130 0.000 1.107 433 L CA 1.160 55.896 54.840 -0.174 0.000 0.783 433 L CB -0.744 41.227 42.059 -0.146 0.000 0.919 433 L HN 0.302 nan 8.230 nan 0.000 0.442 434 N N -0.382 118.291 118.700 -0.044 0.000 2.270 434 N HA -0.166 4.568 4.740 -0.009 0.000 0.181 434 N C 2.059 177.563 175.510 -0.009 0.000 1.016 434 N CA 1.235 54.270 53.050 -0.024 0.000 0.870 434 N CB 0.237 38.730 38.487 0.010 0.000 0.979 434 N HN 0.315 nan 8.380 nan 0.000 0.431 435 S N 0.444 116.156 115.700 0.020 0.000 2.423 435 S HA -0.067 4.397 4.470 -0.009 0.000 0.231 435 S C 1.823 176.454 174.600 0.053 0.000 1.014 435 S CA 0.643 58.880 58.200 0.061 0.000 0.965 435 S CB -0.277 63.007 63.200 0.140 0.000 0.785 435 S HN 0.304 nan 8.310 nan 0.000 0.495 436 M N 1.703 121.255 119.600 -0.081 0.000 2.618 436 M HA 0.158 4.633 4.480 -0.009 0.000 0.240 436 M C 1.049 177.253 176.300 -0.161 0.000 1.123 436 M CA 0.103 55.268 55.300 -0.226 0.000 1.060 436 M CB -0.132 32.187 32.600 -0.469 0.000 1.535 436 M HN 0.266 nan 8.290 nan 0.000 0.507 437 R N 2.830 123.276 120.500 -0.089 0.000 2.442 437 R HA 0.202 4.537 4.340 -0.009 0.000 0.291 437 R C -2.947 173.336 176.300 -0.030 0.000 1.069 437 R CA -1.240 54.824 56.100 -0.060 0.000 1.022 437 R CB -0.220 30.057 30.300 -0.038 0.000 0.976 437 R HN -0.063 nan 8.270 nan 0.000 0.443 438 P HA 0.253 nan 4.420 nan 0.000 0.276 438 P C -0.610 176.689 177.300 -0.002 0.000 1.235 438 P CA -0.122 62.973 63.100 -0.008 0.000 0.772 438 P CB 0.660 32.355 31.700 -0.009 0.000 0.871 439 R N 1.094 121.596 120.500 0.003 0.000 2.691 439 R HA 0.593 4.927 4.340 -0.009 0.000 0.259 439 R C 0.692 176.980 176.300 -0.021 0.000 1.048 439 R CA -0.682 55.416 56.100 -0.004 0.000 1.086 439 R CB 1.079 31.382 30.300 0.005 0.000 1.166 439 R HN 0.544 nan 8.270 nan 0.000 0.526 440 S N -0.218 115.458 115.700 -0.040 0.000 2.681 440 S HA 0.299 4.763 4.470 -0.009 0.000 0.270 440 S C 1.030 175.552 174.600 -0.130 0.000 1.209 440 S CA -0.240 57.912 58.200 -0.080 0.000 0.988 440 S CB 1.611 64.758 63.200 -0.089 0.000 1.006 440 S HN 0.682 nan 8.310 nan 0.000 0.558 441 A N 0.115 122.802 122.820 -0.221 0.000 1.969 441 A HA -0.051 4.263 4.320 -0.009 0.000 0.218 441 A C 2.101 179.281 177.584 -0.674 0.000 1.169 441 A CA 1.577 53.365 52.037 -0.415 0.000 0.635 441 A CB -1.159 17.551 19.000 -0.483 0.000 0.810 441 A HN 1.003 nan 8.150 nan 0.000 0.445 442 E N -0.349 119.560 120.200 -0.484 0.000 2.058 442 E HA -0.255 4.089 4.350 -0.009 0.000 0.194 442 E C 1.760 178.308 176.600 -0.085 0.000 0.997 442 E CA 1.559 57.775 56.400 -0.308 0.000 0.801 442 E CB -0.049 29.546 29.700 -0.176 0.000 0.746 442 E HN 0.375 nan 8.360 nan 0.000 0.450 443 K N 0.386 120.746 120.400 -0.066 0.000 2.296 443 K HA 0.069 4.384 4.320 -0.009 0.000 0.200 443 K C 1.891 178.521 176.600 0.050 0.000 1.048 443 K CA 0.216 56.509 56.287 0.010 0.000 0.966 443 K CB -0.125 32.375 32.500 0.001 0.000 0.754 443 K HN 0.162 nan 8.250 nan 0.000 0.466 444 L N -0.684 120.558 121.223 0.032 0.000 2.056 444 L HA -0.178 4.157 4.340 -0.009 0.000 0.207 444 L C 1.484 178.504 176.870 0.250 0.000 1.078 444 L CA 1.287 56.191 54.840 0.108 0.000 0.749 444 L CB -0.243 41.872 42.059 0.092 0.000 0.901 444 L HN 0.336 nan 8.230 nan 0.000 0.433 445 W N 0.680 122.003 121.300 0.038 0.000 2.318 445 W HA -0.257 4.401 4.660 -0.003 0.000 0.313 445 W C 2.937 179.497 176.519 0.069 0.000 1.221 445 W CA 2.108 59.480 57.345 0.045 0.000 1.266 445 W CB -1.329 28.148 29.460 0.029 0.000 1.150 445 W HN 0.129 nan 8.180 nan 0.000 0.496 446 K N 0.351 120.925 120.400 0.290 0.000 2.103 446 K HA -0.143 4.172 4.320 -0.009 0.000 0.207 446 K C 2.001 178.712 176.600 0.185 0.000 1.048 446 K CA 1.814 58.231 56.287 0.216 0.000 0.930 446 K CB -1.207 31.387 32.500 0.158 0.000 0.716 446 K HN 0.317 nan 8.250 nan 0.000 0.444 447 L N 0.621 121.931 121.223 0.145 0.000 2.056 447 L HA -0.141 4.193 4.340 -0.009 0.000 0.207 447 L C 2.789 179.706 176.870 0.078 0.000 1.078 447 L CA 1.589 56.480 54.840 0.084 0.000 0.749 447 L CB -0.078 42.010 42.059 0.050 0.000 0.901 447 L HN 0.523 nan 8.230 nan 0.000 0.433 448 Q N -1.673 118.202 119.800 0.125 0.000 2.224 448 Q HA -0.256 4.078 4.340 -0.009 0.000 0.203 448 Q C 1.901 177.978 176.000 0.128 0.000 0.970 448 Q CA 1.459 57.328 55.803 0.109 0.000 0.865 448 Q CB -0.149 28.664 28.738 0.125 0.000 0.922 448 Q HN 0.603 nan 8.270 nan 0.000 0.445 449 H N 0.863 119.968 119.070 0.060 0.000 2.372 449 H HA 0.010 4.568 4.556 0.003 0.000 0.301 449 H C 1.503 176.871 175.328 0.067 0.000 1.065 449 H CA 1.328 57.407 56.048 0.053 0.000 1.364 449 H CB 0.331 30.128 29.762 0.058 0.000 1.406 449 H HN 0.184 nan 8.280 nan 0.000 0.521 450 E N -0.111 120.095 120.200 0.010 0.000 2.153 450 E HA -0.135 4.210 4.350 -0.009 0.000 0.194 450 E C 2.122 178.702 176.600 -0.034 0.000 0.988 450 E CA 1.250 57.642 56.400 -0.013 0.000 0.811 450 E CB 0.049 29.785 29.700 0.060 0.000 0.746 450 E HN 0.536 nan 8.360 nan 0.000 0.466 451 I N 1.372 121.921 120.570 -0.036 0.000 2.233 451 I HA -0.252 3.913 4.170 -0.009 0.000 0.243 451 I C 2.644 178.768 176.117 0.012 0.000 1.093 451 I CA 1.252 62.542 61.300 -0.017 0.000 1.380 451 I CB -0.464 37.515 38.000 -0.035 0.000 1.067 451 I HN 0.170 nan 8.210 nan 0.000 0.413 452 E N 1.166 121.358 120.200 -0.014 0.000 2.118 452 E HA -0.291 4.053 4.350 -0.009 0.000 0.195 452 E C 2.231 178.806 176.600 -0.042 0.000 0.992 452 E CA 1.369 57.761 56.400 -0.013 0.000 0.804 452 E CB -0.393 29.318 29.700 0.017 0.000 0.741 452 E HN 0.458 nan 8.360 nan 0.000 0.458 453 M N -0.176 119.355 119.600 -0.115 0.000 2.229 453 M HA -0.106 4.368 4.480 -0.009 0.000 0.264 453 M C 2.066 178.380 176.300 0.023 0.000 1.063 453 M CA 1.436 56.682 55.300 -0.090 0.000 1.114 453 M CB -0.096 32.394 32.600 -0.183 0.000 1.387 453 M HN 0.233 nan 8.290 nan 0.000 0.420 454 Y N 0.017 120.280 120.300 -0.061 0.000 2.220 454 Y HA -0.190 4.354 4.550 -0.011 0.000 0.291 454 Y C 2.475 178.354 175.900 -0.035 0.000 1.129 454 Y CA 1.520 59.600 58.100 -0.035 0.000 1.161 454 Y CB -0.103 38.310 38.460 -0.077 0.000 0.997 454 Y HN 0.086 nan 8.280 nan 0.000 0.522 455 R N 0.063 120.470 120.500 -0.155 0.000 2.091 455 R HA -0.210 4.125 4.340 -0.009 0.000 0.238 455 R C 2.130 178.389 176.300 -0.069 0.000 1.136 455 R CA 1.847 57.855 56.100 -0.153 0.000 0.959 455 R CB -0.163 30.123 30.300 -0.023 0.000 0.856 455 R HN 0.384 nan 8.270 nan 0.000 0.437 456 Q N -0.034 119.742 119.800 -0.040 0.000 2.170 456 Q HA -0.122 4.212 4.340 -0.009 0.000 0.203 456 Q C 2.122 178.115 176.000 -0.011 0.000 0.976 456 Q CA 1.954 57.752 55.803 -0.008 0.000 0.858 456 Q CB -0.147 28.592 28.738 0.002 0.000 0.907 456 Q HN 0.441 nan 8.270 nan 0.000 0.433 457 S N -0.762 114.902 115.700 -0.061 0.000 2.414 457 S HA -0.029 4.435 4.470 -0.009 0.000 0.227 457 S C 2.015 176.592 174.600 -0.038 0.000 1.022 457 S CA 0.791 58.969 58.200 -0.037 0.000 0.958 457 S CB -0.120 63.074 63.200 -0.009 0.000 0.797 457 S HN 0.105 nan 8.310 nan 0.000 0.493 458 V N 1.596 121.422 119.914 -0.147 0.000 2.488 458 V HA 0.039 4.154 4.120 -0.009 0.000 0.246 458 V C 2.393 178.657 176.094 0.284 0.000 1.046 458 V CA 1.326 63.646 62.300 0.034 0.000 1.053 458 V CB -0.695 31.041 31.823 -0.146 0.000 0.679 458 V HN 0.446 nan 8.190 nan 0.000 0.458 459 I N 0.797 121.478 120.570 0.185 0.000 2.208 459 I HA -0.272 3.893 4.170 -0.009 0.000 0.245 459 I C 2.611 178.822 176.117 0.156 0.000 1.097 459 I CA 1.654 63.035 61.300 0.135 0.000 1.363 459 I CB -0.403 37.615 38.000 0.031 0.000 1.051 459 I HN 0.288 nan 8.210 nan 0.000 0.413 460 A N -0.626 122.270 122.820 0.127 0.000 1.969 460 A HA -0.252 4.063 4.320 -0.009 0.000 0.218 460 A C 2.271 179.962 177.584 0.179 0.000 1.169 460 A CA 1.495 53.606 52.037 0.123 0.000 0.635 460 A CB -0.496 18.553 19.000 0.081 0.000 0.810 460 A HN 0.489 nan 8.150 nan 0.000 0.445 461 Q N -1.686 118.266 119.800 0.253 0.000 2.096 461 Q HA -0.134 4.200 4.340 -0.009 0.000 0.197 461 Q C 1.998 178.279 176.000 0.468 0.000 0.964 461 Q CA 0.992 57.009 55.803 0.355 0.000 0.838 461 Q CB -0.215 28.756 28.738 0.389 0.000 0.906 461 Q HN 0.893 nan 8.270 nan 0.000 0.444 462 W N 1.554 122.977 121.300 0.204 0.000 2.358 462 W HA -0.189 4.466 4.660 -0.008 0.000 0.303 462 W C 1.387 177.832 176.519 -0.123 0.000 1.208 462 W CA 1.257 58.523 57.345 -0.132 0.000 1.274 462 W CB 0.058 29.487 29.460 -0.053 0.000 1.138 462 W HN 0.036 nan 8.180 nan 0.000 0.515 463 K N 0.071 120.647 120.400 0.292 0.000 2.228 463 K HA -0.034 4.280 4.320 -0.009 0.000 0.202 463 K C 2.129 178.782 176.600 0.087 0.000 1.051 463 K CA 1.062 57.453 56.287 0.173 0.000 0.960 463 K CB -0.597 31.980 32.500 0.129 0.000 0.743 463 K HN 0.110 nan 8.250 nan 0.000 0.458 464 A N 0.916 123.794 122.820 0.096 0.000 1.933 464 A HA -0.127 4.188 4.320 -0.009 0.000 0.218 464 A C 2.035 179.638 177.584 0.032 0.000 1.175 464 A CA 1.435 53.513 52.037 0.069 0.000 0.628 464 A CB -0.253 18.804 19.000 0.096 0.000 0.814 464 A HN 0.204 nan 8.150 nan 0.000 0.444 465 M N -1.558 118.038 119.600 -0.006 0.000 2.495 465 M HA 0.177 4.651 4.480 -0.009 0.000 0.237 465 M C 0.355 176.579 176.300 -0.128 0.000 1.131 465 M CA 0.147 55.405 55.300 -0.070 0.000 1.032 465 M CB -0.270 32.264 32.600 -0.110 0.000 1.513 465 M HN 0.548 nan 8.290 nan 0.000 0.488 466 N N 0.959 119.599 118.700 -0.099 0.000 2.714 466 N HA -0.161 4.574 4.740 -0.009 0.000 0.253 466 N C -1.201 174.210 175.510 -0.166 0.000 1.024 466 N CA -0.132 52.870 53.050 -0.079 0.000 0.726 466 N CB -0.681 37.781 38.487 -0.042 0.000 0.908 466 N HN 0.318 nan 8.380 nan 0.000 0.542 467 L N -0.695 120.320 121.223 -0.346 0.000 2.439 467 L HA 0.341 4.675 4.340 -0.009 0.000 0.259 467 L C 1.046 177.825 176.870 -0.152 0.000 1.129 467 L CA -0.648 53.872 54.840 -0.533 0.000 0.803 467 L CB 0.609 41.859 42.059 -1.347 0.000 1.161 467 L HN 0.140 nan 8.230 nan 0.000 0.462 468 D N -0.382 119.938 120.400 -0.134 0.000 2.479 468 D HA 0.256 4.890 4.640 -0.009 0.000 0.221 468 D C -0.211 176.183 176.300 0.157 0.000 1.104 468 D CA 0.515 54.554 54.000 0.066 0.000 0.849 468 D CB 1.822 42.603 40.800 -0.031 0.000 1.072 468 D HN 0.153 nan 8.370 nan 0.000 0.502 469 V N 0.828 120.700 119.914 -0.070 0.000 3.106 469 V HA 0.308 4.423 4.120 -0.009 0.000 0.280 469 V C -2.092 173.678 176.094 -0.540 0.000 1.525 469 V CA -1.018 61.167 62.300 -0.191 0.000 0.999 469 V CB 3.059 34.582 31.823 -0.501 0.000 1.186 469 V HN 0.054 nan 8.190 nan 0.000 0.448 470 L N 4.712 125.735 121.223 -0.332 0.000 2.431 470 L HA 0.860 5.195 4.340 -0.009 0.000 0.266 470 L C -1.673 175.139 176.870 -0.096 0.000 0.978 470 L CA -0.316 54.351 54.840 -0.289 0.000 0.822 470 L CB 1.804 43.744 42.059 -0.198 0.000 1.310 470 L HN 0.653 nan 8.230 nan 0.000 0.409 471 L N 3.688 124.886 121.223 -0.041 0.000 2.307 471 L HA 0.810 5.144 4.340 -0.009 0.000 0.282 471 L C -0.478 176.305 176.870 -0.145 0.000 1.051 471 L CA 0.600 55.480 54.840 0.066 0.000 0.804 471 L CB 1.717 43.883 42.059 0.178 0.000 1.197 471 L HN 0.843 nan 8.230 nan 0.000 0.431 472 T N 5.302 119.765 114.554 -0.151 0.000 2.912 472 T HA 0.510 4.855 4.350 -0.009 0.000 0.299 472 T C -2.792 171.837 174.700 -0.118 0.000 1.052 472 T CA -1.026 60.909 62.100 -0.276 0.000 0.996 472 T CB 2.041 70.852 68.868 -0.096 0.000 1.070 472 T HN 0.342 nan 8.240 nan 0.000 0.465 473 P HA 0.368 nan 4.420 nan 0.000 0.276 473 P C -0.795 176.339 177.300 -0.277 0.000 1.230 473 P CA -0.634 62.360 63.100 -0.176 0.000 0.776 473 P CB 0.422 31.994 31.700 -0.214 0.000 0.888 474 M N 4.217 123.707 119.600 -0.183 0.000 2.367 474 M HA 0.284 4.758 4.480 -0.009 0.000 0.339 474 M C -0.804 175.427 176.300 -0.116 0.000 1.177 474 M CA -1.197 54.016 55.300 -0.145 0.000 1.068 474 M CB 0.585 33.131 32.600 -0.091 0.000 1.602 474 M HN 0.180 nan 8.290 nan 0.000 0.457 475 L N 4.730 125.940 121.223 -0.022 0.000 2.559 475 L HA 0.207 4.541 4.340 -0.009 0.000 0.274 475 L C 0.734 177.750 176.870 0.243 0.000 1.205 475 L CA 0.599 55.523 54.840 0.141 0.000 0.907 475 L CB -0.116 42.154 42.059 0.352 0.000 1.153 475 L HN 1.019 nan 8.230 nan 0.000 0.490 476 G N 6.437 115.320 108.800 0.139 0.000 2.597 476 G HA2 0.090 4.045 3.960 -0.009 0.000 0.194 476 G HA3 0.090 4.045 3.960 -0.009 0.000 0.194 476 G C -2.371 172.530 174.900 0.001 0.000 1.625 476 G CA -0.389 44.741 45.100 0.050 0.000 1.050 476 G HN 0.613 nan 8.290 nan 0.000 0.531 477 P HA 0.268 nan 4.420 nan 0.000 0.268 477 P C -0.149 176.851 177.300 -0.499 0.000 1.205 477 P CA 0.001 62.954 63.100 -0.244 0.000 0.771 477 P CB 0.511 32.094 31.700 -0.195 0.000 0.858 478 A N 4.001 126.342 122.820 -0.798 0.000 2.583 478 A HA -0.005 4.310 4.320 -0.009 0.000 0.249 478 A C 0.417 177.566 177.584 -0.725 0.000 1.035 478 A CA 0.113 51.316 52.037 -1.390 0.000 0.777 478 A CB -0.944 17.588 19.000 -0.779 0.000 0.942 478 A HN 0.474 nan 8.150 nan 0.000 0.516 479 L N 3.079 123.921 121.223 -0.635 0.000 2.483 479 L HA 0.069 4.404 4.340 -0.009 0.000 0.275 479 L C 1.266 178.026 176.870 -0.184 0.000 1.220 479 L CA 0.523 55.221 54.840 -0.237 0.000 0.833 479 L CB 0.020 42.045 42.059 -0.056 0.000 1.102 479 L HN 0.798 nan 8.230 nan 0.000 0.490 480 D N 0.109 120.432 120.400 -0.129 0.000 1.622 480 D HA -0.131 4.504 4.640 -0.009 0.000 0.257 480 D C 1.061 177.316 176.300 -0.075 0.000 1.086 480 D CA 0.534 54.478 54.000 -0.093 0.000 0.948 480 D CB 0.091 40.846 40.800 -0.074 0.000 1.485 480 D HN 0.191 nan 8.370 nan 0.000 0.478 481 L N 0.134 121.320 121.223 -0.061 0.000 2.562 481 L HA 0.135 4.470 4.340 -0.009 0.000 0.188 481 L C 0.943 177.770 176.870 -0.072 0.000 1.342 481 L CA 0.819 55.628 54.840 -0.052 0.000 1.104 481 L CB -1.201 40.839 42.059 -0.033 0.000 1.257 481 L HN 0.168 nan 8.230 nan 0.000 0.632 482 N N 0.442 119.105 118.700 -0.062 0.000 2.683 482 N HA -0.002 4.732 4.740 -0.009 0.000 0.256 482 N C 0.604 176.059 175.510 -0.093 0.000 1.270 482 N CA 0.625 53.632 53.050 -0.072 0.000 0.954 482 N CB 0.101 38.562 38.487 -0.043 0.000 1.289 482 N HN 0.562 nan 8.380 nan 0.000 0.508 483 T N -3.533 110.942 114.554 -0.131 0.000 2.978 483 T HA 0.139 4.484 4.350 -0.009 0.000 0.248 483 T C -1.050 173.513 174.700 -0.229 0.000 1.018 483 T CA -0.074 61.946 62.100 -0.132 0.000 1.026 483 T CB -0.562 68.248 68.868 -0.097 0.000 1.032 483 T HN -0.030 nan 8.240 nan 0.000 0.485 484 P HA -0.074 nan 4.420 nan 0.000 0.217 484 P C 1.906 178.849 177.300 -0.594 0.000 1.151 484 P CA 1.594 64.096 63.100 -0.996 0.000 0.849 484 P CB -0.646 30.092 31.700 -1.603 0.000 0.787 485 G N -0.129 108.476 108.800 -0.326 0.000 2.462 485 G HA2 -0.234 3.721 3.960 -0.009 0.000 0.220 485 G HA3 -0.234 3.721 3.960 -0.009 0.000 0.220 485 G C 1.292 176.162 174.900 -0.050 0.000 1.121 485 G CA 0.404 45.422 45.100 -0.135 0.000 0.758 485 G HN 0.328 nan 8.290 nan 0.000 0.559 486 R N -0.079 120.390 120.500 -0.052 0.000 2.468 486 R HA 0.457 4.792 4.340 -0.009 0.000 0.280 486 R C 0.406 176.744 176.300 0.063 0.000 0.963 486 R CA 0.416 56.547 56.100 0.052 0.000 1.083 486 R CB 0.686 31.016 30.300 0.051 0.000 1.200 486 R HN 0.225 nan 8.270 nan 0.000 0.541 487 A N 0.692 123.448 122.820 -0.108 0.000 3.308 487 A HA 0.239 4.554 4.320 -0.009 0.000 0.275 487 A C 0.654 177.982 177.584 -0.427 0.000 0.950 487 A CA -0.516 51.386 52.037 -0.225 0.000 0.987 487 A CB 0.318 19.309 19.000 -0.015 0.000 1.146 487 A HN -0.001 nan 8.150 nan 0.000 0.488 488 T N -0.282 113.722 114.554 -0.918 0.000 2.833 488 T HA -0.093 4.251 4.350 -0.009 0.000 0.269 488 T C 2.012 176.094 174.700 -1.031 0.000 1.054 488 T CA 1.990 63.564 62.100 -0.878 0.000 1.135 488 T CB 0.012 68.298 68.868 -0.970 0.000 0.869 488 T HN 0.691 nan 8.240 nan 0.000 0.466 489 G N 0.820 108.689 108.800 -1.551 0.000 2.509 489 G HA2 0.075 4.029 3.960 -0.009 0.000 0.218 489 G HA3 0.075 4.029 3.960 -0.009 0.000 0.218 489 G C 1.611 176.378 174.900 -0.222 0.000 1.124 489 G CA 0.614 45.250 45.100 -0.774 0.000 0.776 489 G HN 0.576 nan 8.290 nan 0.000 0.547 490 A N 1.115 123.815 122.820 -0.199 0.000 2.168 490 A HA 0.156 4.471 4.320 -0.009 0.000 0.215 490 A C 2.195 179.759 177.584 -0.032 0.000 1.152 490 A CA 0.904 52.938 52.037 -0.006 0.000 0.716 490 A CB -0.382 18.652 19.000 0.056 0.000 0.794 490 A HN 0.748 nan 8.150 nan 0.000 0.465 491 I N -1.437 119.027 120.570 -0.176 0.000 3.334 491 I HA -0.092 4.072 4.170 -0.009 0.000 0.282 491 I C 2.014 178.137 176.117 0.010 0.000 1.313 491 I CA 1.177 62.467 61.300 -0.016 0.000 1.396 491 I CB -0.499 37.444 38.000 -0.095 0.000 1.054 491 I HN 0.262 nan 8.210 nan 0.000 0.495 492 S N 1.763 117.440 115.700 -0.039 0.000 2.381 492 S HA -0.329 4.136 4.470 -0.009 0.000 0.230 492 S C 1.917 176.431 174.600 -0.144 0.000 1.052 492 S CA 1.729 59.835 58.200 -0.157 0.000 1.068 492 S CB -1.306 61.813 63.200 -0.136 0.000 0.918 492 S HN 0.669 nan 8.310 nan 0.000 0.448 493 Y N 2.820 123.153 120.300 0.055 0.000 2.274 493 Y HA -0.050 4.495 4.550 -0.009 0.000 0.290 493 Y C 3.297 179.260 175.900 0.104 0.000 1.145 493 Y CA 1.516 59.687 58.100 0.119 0.000 1.203 493 Y CB -0.813 37.739 38.460 0.154 0.000 0.984 493 Y HN 0.693 nan 8.280 nan 0.000 0.533 494 T N -4.525 110.107 114.554 0.130 0.000 3.021 494 T HA -0.046 4.298 4.350 -0.009 0.000 0.245 494 T C 1.946 176.647 174.700 0.002 0.000 1.028 494 T CA 0.769 62.884 62.100 0.026 0.000 1.139 494 T CB -0.914 67.767 68.868 -0.312 0.000 0.884 494 T HN 0.082 nan 8.240 nan 0.000 0.457 495 V N 1.418 121.296 119.914 -0.060 0.000 2.720 495 V HA -0.019 4.095 4.120 -0.009 0.000 0.256 495 V C 2.408 178.393 176.094 -0.181 0.000 1.082 495 V CA 1.310 63.545 62.300 -0.108 0.000 1.101 495 V CB -0.772 30.978 31.823 -0.122 0.000 0.693 495 V HN 0.486 nan 8.190 nan 0.000 0.479 496 L N -0.078 120.987 121.223 -0.264 0.000 2.043 496 L HA -0.182 4.153 4.340 -0.009 0.000 0.212 496 L C 2.028 178.556 176.870 -0.571 0.000 1.075 496 L CA 2.329 56.887 54.840 -0.470 0.000 0.752 496 L CB -0.815 40.856 42.059 -0.646 0.000 0.891 496 L HN 0.510 nan 8.230 nan 0.000 0.432 497 Y N -1.037 119.210 120.300 -0.089 0.000 2.511 497 Y HA 0.082 4.626 4.550 -0.009 0.000 0.279 497 Y C 2.302 178.151 175.900 -0.086 0.000 1.157 497 Y CA 0.280 58.317 58.100 -0.105 0.000 1.300 497 Y CB -0.616 37.847 38.460 0.006 0.000 1.052 497 Y HN 0.308 nan 8.280 nan 0.000 0.529 498 N N -0.613 118.080 118.700 -0.012 0.000 2.135 498 N HA -0.188 4.546 4.740 -0.009 0.000 0.186 498 N C 2.021 177.483 175.510 -0.080 0.000 1.027 498 N CA 1.458 54.485 53.050 -0.039 0.000 0.849 498 N CB -0.740 37.716 38.487 -0.052 0.000 1.002 498 N HN 0.385 nan 8.380 nan 0.000 0.425 499 C N 1.811 121.033 119.300 -0.130 0.000 2.413 499 C HA -0.019 4.436 4.460 -0.009 0.000 0.276 499 C C 2.667 177.581 174.990 -0.127 0.000 1.236 499 C CA 0.488 59.423 59.018 -0.138 0.000 1.735 499 C CB -1.246 26.384 27.740 -0.184 0.000 2.031 499 C HN 0.349 nan 8.230 nan 0.000 0.474 500 L N 0.294 121.387 121.223 -0.216 0.000 2.376 500 L HA 0.028 4.362 4.340 -0.009 0.000 0.219 500 L C 1.006 177.811 176.870 -0.108 0.000 1.133 500 L CA 1.309 55.952 54.840 -0.329 0.000 0.816 500 L CB -0.681 40.835 42.059 -0.906 0.000 0.933 500 L HN 0.356 nan 8.230 nan 0.000 0.449 501 D N 0.165 120.546 120.400 -0.033 0.000 2.735 501 D HA -0.251 4.384 4.640 -0.009 0.000 0.235 501 D C -0.364 176.059 176.300 0.206 0.000 1.175 501 D CA 0.649 54.666 54.000 0.029 0.000 0.683 501 D CB -1.035 39.737 40.800 -0.048 0.000 1.008 501 D HN 0.159 nan 8.370 nan 0.000 0.416 502 F N -0.361 119.559 119.950 -0.050 0.000 2.425 502 F HA 0.432 4.953 4.527 -0.011 0.000 0.331 502 F C -1.465 174.294 175.800 -0.069 0.000 1.085 502 F CA -2.687 55.268 58.000 -0.075 0.000 1.028 502 F CB 1.586 40.617 39.000 0.052 0.000 1.177 502 F HN -0.146 nan 8.300 nan 0.000 0.487 503 P HA 0.124 nan 4.420 nan 0.000 0.271 503 P C -1.250 176.068 177.300 0.031 0.000 1.226 503 P CA 0.067 63.173 63.100 0.012 0.000 0.765 503 P CB 0.779 32.462 31.700 -0.029 0.000 0.835 504 A N 3.284 126.117 122.820 0.022 0.000 2.386 504 A HA 0.834 5.148 4.320 -0.009 0.000 0.311 504 A C -0.220 177.358 177.584 -0.009 0.000 1.068 504 A CA -0.558 51.469 52.037 -0.017 0.000 0.743 504 A CB 1.722 20.703 19.000 -0.031 0.000 1.258 504 A HN 0.530 nan 8.150 nan 0.000 0.429 505 G N -0.369 108.424 108.800 -0.011 0.000 2.563 505 G HA2 0.585 4.540 3.960 -0.009 0.000 0.302 505 G HA3 0.585 4.540 3.960 -0.009 0.000 0.302 505 G C -1.638 173.243 174.900 -0.032 0.000 1.301 505 G CA -0.488 44.607 45.100 -0.008 0.000 0.965 505 G HN 0.903 nan 8.290 nan 0.000 0.480 506 V N 0.734 120.623 119.914 -0.041 0.000 2.495 506 V HA 0.701 4.815 4.120 -0.009 0.000 0.298 506 V C -0.592 175.478 176.094 -0.041 0.000 1.031 506 V CA -0.756 61.513 62.300 -0.053 0.000 0.871 506 V CB 1.651 33.432 31.823 -0.071 0.000 0.988 506 V HN 0.716 nan 8.190 nan 0.000 0.432 507 V N 7.965 127.847 119.914 -0.054 0.000 2.623 507 V HA 0.681 4.796 4.120 -0.009 0.000 0.304 507 V C -2.531 173.533 176.094 -0.050 0.000 1.054 507 V CA -2.135 60.135 62.300 -0.050 0.000 0.882 507 V CB 2.884 34.662 31.823 -0.075 0.000 1.002 507 V HN 0.791 nan 8.190 nan 0.000 0.424 508 P HA 0.235 nan 4.420 nan 0.000 0.276 508 P C 0.296 177.575 177.300 -0.035 0.000 1.230 508 P CA 0.240 63.321 63.100 -0.033 0.000 0.776 508 P CB 1.669 33.359 31.700 -0.016 0.000 0.888 509 V N -0.144 119.743 119.914 -0.044 0.000 3.431 509 V HA 0.301 4.416 4.120 -0.009 0.000 0.255 509 V C 0.600 176.674 176.094 -0.034 0.000 1.403 509 V CA 0.899 63.173 62.300 -0.043 0.000 1.101 509 V CB 0.403 32.193 31.823 -0.056 0.000 0.891 509 V HN 0.629 nan 8.190 nan 0.000 0.446 510 T N -0.014 114.515 114.554 -0.042 0.000 2.681 510 T HA 0.632 4.976 4.350 -0.009 0.000 0.296 510 T C -0.835 173.827 174.700 -0.064 0.000 1.157 510 T CA 0.533 62.610 62.100 -0.038 0.000 1.025 510 T CB 1.818 70.666 68.868 -0.033 0.000 1.441 510 T HN 0.915 nan 8.240 nan 0.000 0.504 511 T N -0.291 114.229 114.554 -0.056 0.000 2.900 511 T HA 0.598 4.942 4.350 -0.009 0.000 0.303 511 T C -1.010 173.654 174.700 -0.060 0.000 1.142 511 T CA -0.537 61.511 62.100 -0.087 0.000 1.007 511 T CB 1.215 70.040 68.868 -0.073 0.000 1.156 511 T HN 0.510 nan 8.240 nan 0.000 0.490 512 V N 4.821 124.689 119.914 -0.077 0.000 2.450 512 V HA 0.307 4.422 4.120 -0.009 0.000 0.281 512 V C 1.449 177.528 176.094 -0.026 0.000 1.019 512 V CA 0.236 62.504 62.300 -0.054 0.000 1.062 512 V CB -0.075 31.706 31.823 -0.071 0.000 0.979 512 V HN 1.110 nan 8.190 nan 0.000 0.477 513 T N 2.557 117.102 114.554 -0.015 0.000 2.874 513 T HA 0.535 4.879 4.350 -0.009 0.000 0.281 513 T C 1.171 175.869 174.700 -0.003 0.000 0.994 513 T CA -0.158 61.940 62.100 -0.003 0.000 1.015 513 T CB 1.661 70.530 68.868 0.001 0.000 1.028 513 T HN 0.711 nan 8.240 nan 0.000 0.523 514 A N -0.168 122.654 122.820 0.002 0.000 2.248 514 A HA 0.315 4.630 4.320 -0.009 0.000 0.210 514 A C 2.159 179.745 177.584 0.002 0.000 1.174 514 A CA 1.201 53.239 52.037 0.002 0.000 0.750 514 A CB -1.394 17.610 19.000 0.005 0.000 0.780 514 A HN 1.110 nan 8.150 nan 0.000 0.478 515 E N -0.411 119.791 120.200 0.004 0.000 2.389 515 E HA -0.015 4.329 4.350 -0.009 0.000 0.199 515 E C 1.363 177.968 176.600 0.008 0.000 0.978 515 E CA 0.575 56.980 56.400 0.007 0.000 0.912 515 E CB -0.375 29.331 29.700 0.010 0.000 0.907 515 E HN 0.601 nan 8.360 nan 0.000 0.494 516 D N 0.440 120.841 120.400 0.002 0.000 2.234 516 D HA -0.076 4.559 4.640 -0.009 0.000 0.205 516 D C 0.876 177.171 176.300 -0.008 0.000 0.962 516 D CA 1.295 55.295 54.000 -0.000 0.000 0.855 516 D CB 0.062 40.856 40.800 -0.010 0.000 0.951 516 D HN 0.392 nan 8.370 nan 0.000 0.500 517 D N -0.331 120.061 120.400 -0.014 0.000 2.348 517 D HA 0.096 4.730 4.640 -0.009 0.000 0.211 517 D C 1.776 178.069 176.300 -0.010 0.000 0.998 517 D CA 0.275 54.262 54.000 -0.022 0.000 0.873 517 D CB 0.334 41.119 40.800 -0.025 0.000 0.925 517 D HN 0.040 nan 8.370 nan 0.000 0.524 518 A N -0.227 122.593 122.820 0.001 0.000 1.943 518 A HA 0.058 4.373 4.320 -0.009 0.000 0.213 518 A C 2.192 179.787 177.584 0.019 0.000 1.181 518 A CA 1.466 53.508 52.037 0.008 0.000 0.653 518 A CB -0.836 18.170 19.000 0.010 0.000 0.833 518 A HN 0.262 nan 8.150 nan 0.000 0.451 519 Q N -1.268 118.547 119.800 0.026 0.000 2.378 519 Q HA 0.149 4.483 4.340 -0.009 0.000 0.205 519 Q C 1.813 177.855 176.000 0.071 0.000 0.954 519 Q CA 1.385 57.215 55.803 0.045 0.000 0.901 519 Q CB -0.824 27.943 28.738 0.048 0.000 0.981 519 Q HN 0.523 nan 8.270 nan 0.000 0.483 520 M N 0.607 120.235 119.600 0.047 0.000 2.267 520 M HA -0.115 4.359 4.480 -0.009 0.000 0.263 520 M C 2.253 178.589 176.300 0.061 0.000 1.063 520 M CA 1.683 57.004 55.300 0.035 0.000 1.090 520 M CB -1.046 31.526 32.600 -0.047 0.000 1.392 520 M HN 0.764 nan 8.290 nan 0.000 0.422 521 E N -0.167 120.062 120.200 0.048 0.000 2.204 521 E HA 0.106 4.451 4.350 -0.009 0.000 0.194 521 E C 1.940 178.583 176.600 0.071 0.000 0.989 521 E CA 1.466 57.896 56.400 0.050 0.000 0.824 521 E CB -1.119 28.599 29.700 0.030 0.000 0.756 521 E HN 0.554 nan 8.360 nan 0.000 0.477 522 L N -1.026 120.246 121.223 0.081 0.000 2.653 522 L HA 0.577 4.912 4.340 -0.009 0.000 0.231 522 L C 1.133 178.058 176.870 0.091 0.000 1.153 522 L CA -0.204 54.678 54.840 0.070 0.000 0.933 522 L CB -1.422 40.665 42.059 0.047 0.000 1.175 522 L HN 0.523 nan 8.230 nan 0.000 0.473 523 Y N 1.990 122.286 120.300 -0.007 0.000 2.511 523 Y HA 0.412 4.956 4.550 -0.009 0.000 0.332 523 Y C 0.541 176.433 175.900 -0.015 0.000 1.177 523 Y CA 0.878 58.969 58.100 -0.016 0.000 1.422 523 Y CB 0.337 38.789 38.460 -0.014 0.000 1.271 523 Y HN 0.415 nan 8.280 nan 0.000 0.550 524 K N 3.950 124.130 120.400 -0.366 0.000 2.589 524 K HA 0.578 4.892 4.320 -0.009 0.000 0.253 524 K C -0.183 176.078 176.600 -0.564 0.000 0.974 524 K CA -0.312 55.800 56.287 -0.291 0.000 0.835 524 K CB 0.493 32.933 32.500 -0.100 0.000 1.272 524 K HN 1.098 nan 8.250 nan 0.000 0.444 525 G N -0.083 108.402 108.800 -0.525 0.000 2.631 525 G HA2 0.386 4.340 3.960 -0.009 0.000 0.271 525 G HA3 0.386 4.340 3.960 -0.009 0.000 0.271 525 G C 0.415 175.131 174.900 -0.307 0.000 1.302 525 G CA 0.068 44.853 45.100 -0.524 0.000 1.002 525 G HN 0.686 nan 8.290 nan 0.000 0.519 526 Y N -1.225 119.027 120.300 -0.081 0.000 2.421 526 Y HA 0.066 4.610 4.550 -0.009 0.000 0.292 526 Y C 2.090 177.720 175.900 -0.449 0.000 1.136 526 Y CA 0.868 58.806 58.100 -0.269 0.000 1.255 526 Y CB -0.236 38.022 38.460 -0.338 0.000 0.991 526 Y HN 0.381 nan 8.280 nan 0.000 0.552 527 F N -2.112 117.880 119.950 0.069 0.000 2.712 527 F HA 0.359 4.880 4.527 -0.009 0.000 0.297 527 F C 2.013 177.858 175.800 0.075 0.000 1.114 527 F CA 0.414 58.449 58.000 0.057 0.000 1.305 527 F CB 0.020 39.036 39.000 0.027 0.000 1.086 527 F HN -0.047 nan 8.300 nan 0.000 0.599 528 G N 1.553 110.472 108.800 0.199 0.000 2.203 528 G HA2 -0.335 3.619 3.960 -0.009 0.000 0.263 528 G HA3 -0.335 3.619 3.960 -0.009 0.000 0.263 528 G C -0.079 174.930 174.900 0.182 0.000 1.012 528 G CA 0.725 45.915 45.100 0.150 0.000 0.749 528 G HN 0.459 nan 8.290 nan 0.000 0.512 529 D N -0.676 119.834 120.400 0.184 0.000 2.478 529 D HA 0.414 5.049 4.640 -0.009 0.000 0.274 529 D C 2.000 178.238 176.300 -0.103 0.000 1.234 529 D CA -0.526 53.473 54.000 -0.003 0.000 1.069 529 D CB -0.014 40.761 40.800 -0.043 0.000 1.113 529 D HN 0.392 nan 8.370 nan 0.000 0.571 530 I N -1.150 119.230 120.570 -0.317 0.000 2.361 530 I HA -0.160 4.004 4.170 -0.009 0.000 0.251 530 I C 0.961 177.088 176.117 0.016 0.000 1.133 530 I CA 1.156 62.332 61.300 -0.207 0.000 1.413 530 I CB -0.699 37.106 38.000 -0.325 0.000 1.073 530 I HN 0.360 nan 8.210 nan 0.000 0.424 531 W N 2.111 123.359 121.300 -0.086 0.000 2.402 531 W HA -0.104 4.550 4.660 -0.010 0.000 0.286 531 W C 2.292 178.821 176.519 0.016 0.000 1.221 531 W CA 0.939 58.254 57.345 -0.052 0.000 1.257 531 W CB -0.985 28.422 29.460 -0.088 0.000 1.120 531 W HN 0.313 nan 8.180 nan 0.000 0.551 532 D N -0.316 120.251 120.400 0.277 0.000 2.194 532 D HA -0.104 4.531 4.640 -0.009 0.000 0.204 532 D C 2.165 178.599 176.300 0.223 0.000 0.964 532 D CA 0.975 55.139 54.000 0.274 0.000 0.846 532 D CB -0.172 40.781 40.800 0.254 0.000 0.962 532 D HN 0.066 nan 8.370 nan 0.000 0.490 533 I N 0.680 121.336 120.570 0.143 0.000 2.252 533 I HA -0.157 4.007 4.170 -0.009 0.000 0.245 533 I C 2.485 178.641 176.117 0.065 0.000 1.102 533 I CA 0.683 62.039 61.300 0.094 0.000 1.385 533 I CB -0.987 37.043 38.000 0.049 0.000 1.064 533 I HN -0.042 nan 8.210 nan 0.000 0.414 534 I N 0.554 121.167 120.570 0.071 0.000 2.226 534 I HA -0.282 3.882 4.170 -0.009 0.000 0.245 534 I C 2.538 178.662 176.117 0.013 0.000 1.100 534 I CA 1.122 62.448 61.300 0.043 0.000 1.374 534 I CB -0.333 37.707 38.000 0.066 0.000 1.057 534 I HN 0.118 nan 8.210 nan 0.000 0.413 535 L N 0.681 121.924 121.223 0.033 0.000 2.079 535 L HA -0.244 4.091 4.340 -0.009 0.000 0.210 535 L C 2.420 179.182 176.870 -0.181 0.000 1.081 535 L CA 1.854 56.673 54.840 -0.035 0.000 0.752 535 L CB -0.626 41.450 42.059 0.029 0.000 0.896 535 L HN 0.120 nan 8.230 nan 0.000 0.433 536 K N -0.442 119.866 120.400 -0.154 0.000 2.032 536 K HA -0.227 4.087 4.320 -0.009 0.000 0.209 536 K C 2.171 178.690 176.600 -0.135 0.000 1.048 536 K CA 2.191 58.352 56.287 -0.210 0.000 0.927 536 K CB -0.120 32.397 32.500 0.028 0.000 0.712 536 K HN 0.309 nan 8.250 nan 0.000 0.441 537 K N -0.157 120.201 120.400 -0.069 0.000 2.365 537 K HA 0.157 4.471 4.320 -0.009 0.000 0.197 537 K C 1.811 178.368 176.600 -0.072 0.000 1.042 537 K CA 1.116 57.370 56.287 -0.055 0.000 0.987 537 K CB -0.384 32.100 32.500 -0.027 0.000 0.779 537 K HN 0.387 nan 8.250 nan 0.000 0.484 538 A N 0.023 122.791 122.820 -0.086 0.000 2.021 538 A HA 0.216 4.530 4.320 -0.009 0.000 0.216 538 A C 2.261 179.771 177.584 -0.124 0.000 1.163 538 A CA 1.254 53.236 52.037 -0.093 0.000 0.676 538 A CB -0.070 18.883 19.000 -0.078 0.000 0.818 538 A HN 0.443 nan 8.150 nan 0.000 0.453 539 M N -0.237 119.271 119.600 -0.152 0.000 2.510 539 M HA 0.081 4.555 4.480 -0.009 0.000 0.256 539 M C 1.320 177.531 176.300 -0.149 0.000 1.132 539 M CA 0.545 55.740 55.300 -0.175 0.000 1.105 539 M CB -0.216 32.251 32.600 -0.222 0.000 1.375 539 M HN 0.369 nan 8.290 nan 0.000 0.477 540 K N 1.363 121.688 120.400 -0.124 0.000 2.230 540 K HA 0.076 4.390 4.320 -0.009 0.000 0.253 540 K C 0.516 177.071 176.600 -0.075 0.000 1.008 540 K CA 0.026 56.260 56.287 -0.089 0.000 0.910 540 K CB -0.256 32.203 32.500 -0.068 0.000 0.994 540 K HN 0.439 nan 8.250 nan 0.000 0.495 541 N N -0.505 118.162 118.700 -0.055 0.000 2.726 541 N HA -0.166 4.568 4.740 -0.009 0.000 0.253 541 N C -0.548 174.934 175.510 -0.048 0.000 1.059 541 N CA 1.190 54.215 53.050 -0.042 0.000 0.701 541 N CB -1.658 36.808 38.487 -0.034 0.000 0.899 541 N HN 1.048 nan 8.380 nan 0.000 0.548 542 S N -2.189 113.480 115.700 -0.053 0.000 2.828 542 S HA 0.279 4.743 4.470 -0.009 0.000 0.240 542 S C -0.032 174.537 174.600 -0.051 0.000 0.912 542 S CA -0.374 57.788 58.200 -0.064 0.000 1.100 542 S CB 0.030 63.162 63.200 -0.112 0.000 1.271 542 S HN 0.214 nan 8.310 nan 0.000 0.476 543 V N 1.729 121.629 119.914 -0.023 0.000 2.655 543 V HA 0.577 4.692 4.120 -0.009 0.000 0.300 543 V C 1.586 177.691 176.094 0.018 0.000 1.044 543 V CA 0.799 63.095 62.300 -0.007 0.000 1.095 543 V CB -0.040 31.786 31.823 0.004 0.000 0.952 543 V HN 1.042 nan 8.190 nan 0.000 0.485 544 G N 3.584 112.395 108.800 0.017 0.000 2.148 544 G HA2 -0.203 3.752 3.960 -0.009 0.000 0.254 544 G HA3 -0.203 3.752 3.960 -0.009 0.000 0.254 544 G C -0.076 174.833 174.900 0.016 0.000 0.981 544 G CA 0.002 45.143 45.100 0.068 0.000 0.670 544 G HN 0.541 nan 8.290 nan 0.000 0.528 545 L N 1.749 122.897 121.223 -0.123 0.000 2.307 545 L HA 0.406 4.740 4.340 -0.009 0.000 0.282 545 L C -1.627 174.978 176.870 -0.441 0.000 1.051 545 L CA -1.931 52.707 54.840 -0.337 0.000 0.804 545 L CB 1.472 43.391 42.059 -0.233 0.000 1.197 545 L HN -0.045 nan 8.230 nan 0.000 0.431 546 P HA 0.138 nan 4.420 nan 0.000 0.271 546 P C -0.881 176.261 177.300 -0.264 0.000 1.216 546 P CA -0.168 62.629 63.100 -0.505 0.000 0.776 546 P CB 1.362 32.668 31.700 -0.657 0.000 0.881 547 V N 1.867 121.684 119.914 -0.162 0.000 2.715 547 V HA 0.776 4.890 4.120 -0.009 0.000 0.310 547 V C 0.492 176.548 176.094 -0.063 0.000 1.054 547 V CA -0.714 61.534 62.300 -0.087 0.000 0.928 547 V CB 1.483 33.264 31.823 -0.071 0.000 1.007 547 V HN 0.824 nan 8.190 nan 0.000 0.437 548 A N 2.775 125.574 122.820 -0.035 0.000 2.464 548 A HA 1.004 5.319 4.320 -0.009 0.000 0.268 548 A C -1.066 176.487 177.584 -0.052 0.000 1.244 548 A CA -0.830 51.183 52.037 -0.041 0.000 0.871 548 A CB 2.048 21.030 19.000 -0.031 0.000 1.400 548 A HN 0.873 nan 8.150 nan 0.000 0.455 549 V N -0.224 119.653 119.914 -0.061 0.000 2.891 549 V HA 0.399 4.513 4.120 -0.009 0.000 0.304 549 V C -1.089 174.967 176.094 -0.064 0.000 1.171 549 V CA -0.434 61.826 62.300 -0.066 0.000 0.943 549 V CB 1.990 33.772 31.823 -0.069 0.000 1.037 549 V HN 0.967 nan 8.190 nan 0.000 0.427 550 Q N 3.147 122.915 119.800 -0.055 0.000 2.256 550 Q HA 0.572 4.906 4.340 -0.009 0.000 0.257 550 Q C -1.452 174.550 176.000 0.003 0.000 0.936 550 Q CA -0.446 55.331 55.803 -0.044 0.000 0.903 550 Q CB 1.586 30.296 28.738 -0.046 0.000 1.263 550 Q HN 0.826 nan 8.270 nan 0.000 0.440 551 C N 3.801 123.120 119.300 0.033 0.000 2.340 551 C HA 0.627 5.082 4.460 -0.009 0.000 0.323 551 C C -0.478 174.577 174.990 0.108 0.000 1.260 551 C CA -0.807 58.325 59.018 0.190 0.000 1.464 551 C CB 0.519 28.390 27.740 0.219 0.000 2.156 551 C HN 0.573 nan 8.230 nan 0.000 0.476 552 V N 3.145 123.105 119.914 0.076 0.000 2.555 552 V HA 0.865 4.979 4.120 -0.009 0.000 0.302 552 V C 0.424 176.613 176.094 0.157 0.000 1.038 552 V CA -0.105 62.207 62.300 0.020 0.000 0.887 552 V CB 1.523 33.231 31.823 -0.192 0.000 0.991 552 V HN 1.064 nan 8.190 nan 0.000 0.434 553 A N 4.235 127.098 122.820 0.071 0.000 2.373 553 A HA 0.888 5.202 4.320 -0.009 0.000 0.291 553 A C -0.456 176.845 177.584 -0.472 0.000 1.171 553 A CA -0.825 51.198 52.037 -0.023 0.000 0.922 553 A CB 0.851 19.836 19.000 -0.025 0.000 1.400 553 A HN 0.729 nan 8.150 nan 0.000 0.474 554 L N 0.625 121.385 121.223 -0.772 0.000 2.466 554 L HA 0.279 4.613 4.340 -0.009 0.000 0.257 554 L C -2.036 174.380 176.870 -0.758 0.000 1.189 554 L CA -1.689 52.417 54.840 -1.224 0.000 0.813 554 L CB 0.646 42.087 42.059 -1.030 0.000 1.118 554 L HN 0.390 nan 8.230 nan 0.000 0.471 555 P HA -0.085 nan 4.420 nan 0.000 0.265 555 P C -0.867 176.241 177.300 -0.320 0.000 1.193 555 P CA 0.353 63.122 63.100 -0.551 0.000 0.765 555 P CB 0.113 31.498 31.700 -0.525 0.000 0.823 556 W N 0.514 121.745 121.300 -0.115 0.000 2.902 556 W HA -0.207 4.445 4.660 -0.012 0.000 0.278 556 W C 0.460 176.919 176.519 -0.099 0.000 1.066 556 W CA 0.162 57.456 57.345 -0.086 0.000 0.570 556 W CB -2.463 26.950 29.460 -0.079 0.000 2.092 556 W HN 0.396 nan 8.180 nan 0.000 1.423 557 Q N 1.406 121.212 119.800 0.010 0.000 2.375 557 Q HA 0.049 4.384 4.340 -0.009 0.000 0.316 557 Q C 1.698 177.691 176.000 -0.012 0.000 0.927 557 Q CA 0.642 56.431 55.803 -0.023 0.000 1.029 557 Q CB -0.013 28.673 28.738 -0.087 0.000 1.202 557 Q HN 0.565 nan 8.270 nan 0.000 0.431 558 E N 0.665 120.877 120.200 0.021 0.000 2.347 558 E HA -0.184 4.161 4.350 -0.009 0.000 0.196 558 E C 1.100 177.739 176.600 0.066 0.000 1.008 558 E CA 0.776 57.203 56.400 0.045 0.000 0.852 558 E CB 0.202 29.942 29.700 0.066 0.000 0.783 558 E HN 0.423 nan 8.360 nan 0.000 0.505 559 E N 1.408 121.611 120.200 0.004 0.000 2.158 559 E HA -0.113 4.231 4.350 -0.009 0.000 0.191 559 E C 2.188 178.849 176.600 0.102 0.000 0.982 559 E CA 0.278 56.661 56.400 -0.028 0.000 0.823 559 E CB -0.580 28.862 29.700 -0.430 0.000 0.766 559 E HN 0.203 nan 8.360 nan 0.000 0.468 560 L N 1.669 122.925 121.223 0.055 0.000 2.042 560 L HA -0.112 4.222 4.340 -0.009 0.000 0.210 560 L C 2.521 179.471 176.870 0.133 0.000 1.076 560 L CA 1.486 56.374 54.840 0.080 0.000 0.749 560 L CB -0.982 41.095 42.059 0.031 0.000 0.893 560 L HN 0.355 nan 8.230 nan 0.000 0.432 561 C N -0.859 118.513 119.300 0.120 0.000 2.462 561 C HA -0.139 4.316 4.460 -0.009 0.000 0.278 561 C C 2.798 177.912 174.990 0.207 0.000 1.253 561 C CA 0.884 59.997 59.018 0.158 0.000 1.713 561 C CB -1.056 26.742 27.740 0.097 0.000 2.049 561 C HN 0.595 nan 8.230 nan 0.000 0.477 562 L N 0.825 122.170 121.223 0.204 0.000 2.079 562 L HA -0.153 4.182 4.340 -0.009 0.000 0.210 562 L C 3.040 180.147 176.870 0.395 0.000 1.081 562 L CA 1.762 56.761 54.840 0.265 0.000 0.752 562 L CB -0.854 41.332 42.059 0.211 0.000 0.896 562 L HN 0.395 nan 8.230 nan 0.000 0.433 563 R N 0.312 121.052 120.500 0.400 0.000 2.091 563 R HA -0.247 4.088 4.340 -0.009 0.000 0.238 563 R C 2.337 178.735 176.300 0.164 0.000 1.136 563 R CA 2.014 58.237 56.100 0.204 0.000 0.959 563 R CB -0.663 29.716 30.300 0.132 0.000 0.856 563 R HN 0.367 nan 8.270 nan 0.000 0.437 564 F N 0.642 120.611 119.950 0.031 0.000 2.234 564 F HA -0.125 4.397 4.527 -0.009 0.000 0.299 564 F C 2.266 178.055 175.800 -0.019 0.000 1.087 564 F CA 1.171 59.153 58.000 -0.030 0.000 1.340 564 F CB 0.018 38.996 39.000 -0.038 0.000 1.031 564 F HN -0.023 nan 8.300 nan 0.000 0.500 565 M N -0.195 119.356 119.600 -0.081 0.000 2.132 565 M HA -0.167 4.308 4.480 -0.009 0.000 0.263 565 M C 2.328 178.560 176.300 -0.113 0.000 1.065 565 M CA 1.560 56.765 55.300 -0.158 0.000 1.122 565 M CB -0.455 32.138 32.600 -0.011 0.000 1.365 565 M HN 0.052 nan 8.290 nan 0.000 0.411 566 R N 0.399 120.899 120.500 -0.001 0.000 2.096 566 R HA -0.204 4.130 4.340 -0.009 0.000 0.235 566 R C 1.974 178.243 176.300 -0.051 0.000 1.127 566 R CA 1.741 57.848 56.100 0.011 0.000 0.968 566 R CB -0.038 30.288 30.300 0.042 0.000 0.861 566 R HN 0.219 nan 8.270 nan 0.000 0.440 567 E N -0.347 119.799 120.200 -0.089 0.000 2.072 567 E HA -0.119 4.225 4.350 -0.009 0.000 0.191 567 E C 1.755 178.254 176.600 -0.168 0.000 0.985 567 E CA 1.354 57.694 56.400 -0.100 0.000 0.801 567 E CB 0.055 29.702 29.700 -0.087 0.000 0.750 567 E HN 0.164 nan 8.360 nan 0.000 0.452 568 V N 0.598 120.324 119.914 -0.312 0.000 2.379 568 V HA -0.169 3.946 4.120 -0.009 0.000 0.245 568 V C 2.354 178.346 176.094 -0.169 0.000 1.044 568 V CA 1.954 64.062 62.300 -0.319 0.000 1.036 568 V CB -0.471 31.034 31.823 -0.529 0.000 0.664 568 V HN 0.356 nan 8.190 nan 0.000 0.453 569 E N -0.285 119.837 120.200 -0.130 0.000 2.058 569 E HA -0.292 4.053 4.350 -0.009 0.000 0.194 569 E C 2.355 178.931 176.600 -0.040 0.000 0.997 569 E CA 1.455 57.817 56.400 -0.064 0.000 0.801 569 E CB -0.099 29.582 29.700 -0.033 0.000 0.746 569 E HN 0.483 nan 8.360 nan 0.000 0.450 570 Q N 0.194 119.972 119.800 -0.038 0.000 2.119 570 Q HA -0.123 4.212 4.340 -0.009 0.000 0.201 570 Q C 2.351 178.341 176.000 -0.016 0.000 0.972 570 Q CA 0.952 56.745 55.803 -0.018 0.000 0.847 570 Q CB -0.010 28.721 28.738 -0.011 0.000 0.903 570 Q HN 0.400 nan 8.270 nan 0.000 0.433 571 L N -0.511 120.696 121.223 -0.027 0.000 2.179 571 L HA -0.094 4.240 4.340 -0.009 0.000 0.208 571 L C 2.202 179.060 176.870 -0.021 0.000 1.096 571 L CA 0.530 55.360 54.840 -0.018 0.000 0.779 571 L CB -0.130 41.919 42.059 -0.016 0.000 0.922 571 L HN 0.203 nan 8.230 nan 0.000 0.443 572 M N -1.681 117.900 119.600 -0.032 0.000 2.534 572 M HA 0.150 4.625 4.480 -0.009 0.000 0.263 572 M C 0.667 176.959 176.300 -0.012 0.000 1.152 572 M CA 0.659 55.943 55.300 -0.026 0.000 1.145 572 M CB -0.053 32.522 32.600 -0.041 0.000 1.333 572 M HN 0.086 nan 8.290 nan 0.000 0.477 573 T N 0.000 114.549 114.554 -0.009 0.000 3.816 573 T HA 0.000 4.344 4.350 -0.009 0.000 0.228 573 T CA 0.000 62.103 62.100 0.005 0.000 1.349 573 T CB 0.000 68.875 68.868 0.012 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658