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_M 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 0.000 177.603 177.584 0.032 0.000 1.274 37 A CA 0.000 52.043 52.037 0.010 0.000 0.836 37 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 38 R N 1.116 121.651 120.500 0.059 0.000 2.310 38 R HA 0.467 4.807 4.340 -0.000 0.000 0.202 38 R C 1.798 178.275 176.300 0.296 0.000 0.933 38 R CA 1.443 57.634 56.100 0.151 0.000 1.054 38 R CB -1.309 29.071 30.300 0.132 0.000 0.985 38 R HN 1.233 nan 8.270 nan 0.000 0.489 39 G N -0.515 108.406 108.800 0.202 0.000 2.650 39 G HA2 0.193 4.153 3.960 -0.000 0.000 0.214 39 G HA3 0.193 4.153 3.960 -0.000 0.000 0.214 39 G C 1.356 176.275 174.900 0.032 0.000 1.136 39 G CA 0.568 45.748 45.100 0.133 0.000 0.789 39 G HN 0.727 nan 8.290 nan 0.000 0.536 40 A N 0.725 123.559 122.820 0.023 0.000 2.324 40 A HA 0.641 4.960 4.320 -0.000 0.000 0.240 40 A C 2.184 179.734 177.584 -0.055 0.000 1.347 40 A CA 0.921 52.947 52.037 -0.018 0.000 1.036 40 A CB -0.461 18.534 19.000 -0.010 0.000 0.917 40 A HN 0.456 nan 8.150 nan 0.000 0.519 41 A N 0.108 122.883 122.820 -0.074 0.000 1.972 41 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 41 A C 2.383 179.847 177.584 -0.201 0.000 1.169 41 A CA 2.174 54.107 52.037 -0.173 0.000 0.635 41 A CB -1.042 17.834 19.000 -0.206 0.000 0.810 41 A HN 0.827 nan 8.150 nan 0.000 0.446 42 T N -2.498 111.976 114.554 -0.133 0.000 2.962 42 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 42 T C 1.861 176.507 174.700 -0.090 0.000 1.088 42 T CA 1.282 63.317 62.100 -0.108 0.000 1.127 42 T CB -0.313 68.513 68.868 -0.070 0.000 0.883 42 T HN 0.487 nan 8.240 nan 0.000 0.493 43 R N 1.034 121.485 120.500 -0.082 0.000 2.120 43 R HA 0.123 4.463 4.340 -0.000 0.000 0.234 43 R C 2.584 178.836 176.300 -0.080 0.000 1.123 43 R CA 1.306 57.370 56.100 -0.060 0.000 0.975 43 R CB -0.627 29.648 30.300 -0.042 0.000 0.866 43 R HN 0.522 nan 8.270 nan 0.000 0.446 44 A N -0.069 122.644 122.820 -0.179 0.000 2.016 44 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 44 A C 2.043 179.489 177.584 -0.230 0.000 1.162 44 A CA 0.702 52.568 52.037 -0.285 0.000 0.662 44 A CB -0.245 18.306 19.000 -0.748 0.000 0.812 44 A HN 0.251 nan 8.150 nan 0.000 0.450 45 R N -0.279 120.097 120.500 -0.207 0.000 2.115 45 R HA -0.165 4.175 4.340 -0.000 0.000 0.230 45 R C 2.297 178.592 176.300 -0.008 0.000 1.111 45 R CA 1.676 57.719 56.100 -0.095 0.000 0.976 45 R CB -0.082 30.156 30.300 -0.104 0.000 0.870 45 R HN 0.804 nan 8.270 nan 0.000 0.445 46 Q N -0.433 119.360 119.800 -0.011 0.000 2.331 46 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 46 Q C 1.586 177.618 176.000 0.054 0.000 0.944 46 Q CA 1.145 56.961 55.803 0.022 0.000 0.892 46 Q CB 0.021 28.765 28.738 0.011 0.000 0.983 46 Q HN 0.006 nan 8.270 nan 0.000 0.482 47 K N 0.559 120.998 120.400 0.065 0.000 2.097 47 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 47 K C 2.237 178.939 176.600 0.171 0.000 1.050 47 K CA 1.321 57.680 56.287 0.120 0.000 0.938 47 K CB 0.055 32.644 32.500 0.148 0.000 0.718 47 K HN 0.342 nan 8.250 nan 0.000 0.442 48 Q N -0.718 119.199 119.800 0.194 0.000 2.083 48 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 48 Q C 2.226 178.310 176.000 0.140 0.000 0.969 48 Q CA 1.793 57.724 55.803 0.214 0.000 0.838 48 Q CB 0.137 29.036 28.738 0.268 0.000 0.900 48 Q HN 0.329 nan 8.270 nan 0.000 0.436 49 R N -0.392 120.171 120.500 0.105 0.000 2.246 49 R HA 0.263 4.603 4.340 -0.000 0.000 0.199 49 R C 1.799 178.157 176.300 0.098 0.000 0.984 49 R CA 1.056 57.208 56.100 0.086 0.000 1.015 49 R CB -0.630 29.704 30.300 0.057 0.000 0.930 49 R HN 0.373 nan 8.270 nan 0.000 0.475 50 A N 0.202 123.082 122.820 0.099 0.000 1.874 50 A HA 0.048 4.368 4.320 -0.000 0.000 0.214 50 A C 2.253 179.914 177.584 0.129 0.000 1.189 50 A CA 1.463 53.561 52.037 0.102 0.000 0.615 50 A CB -0.233 18.820 19.000 0.087 0.000 0.830 50 A HN 0.425 nan 8.150 nan 0.000 0.443 51 S N -0.276 115.518 115.700 0.156 0.000 2.660 51 S HA 0.077 4.547 4.470 -0.000 0.000 0.228 51 S C 1.096 175.799 174.600 0.171 0.000 0.966 51 S CA 0.516 58.841 58.200 0.207 0.000 0.940 51 S CB -0.146 63.200 63.200 0.244 0.000 0.773 51 S HN 0.314 nan 8.310 nan 0.000 0.535 52 L N 0.647 121.968 121.223 0.163 0.000 2.577 52 L HA 0.287 4.627 4.340 -0.000 0.000 0.225 52 L C 2.535 179.579 176.870 0.291 0.000 1.053 52 L CA 1.173 56.154 54.840 0.235 0.000 0.866 52 L CB -1.075 41.089 42.059 0.175 0.000 1.132 52 L HN 0.309 nan 8.230 nan 0.000 0.486 53 E N -0.730 119.576 120.200 0.176 0.000 2.076 53 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 53 E C 2.029 178.644 176.600 0.024 0.000 0.979 53 E CA 1.697 58.165 56.400 0.114 0.000 0.807 53 E CB -1.193 28.564 29.700 0.095 0.000 0.761 53 E HN 0.465 nan 8.360 nan 0.000 0.454 54 T N 0.422 114.999 114.554 0.038 0.000 2.995 54 T HA 0.044 4.394 4.350 -0.000 0.000 0.269 54 T C 2.020 176.615 174.700 -0.175 0.000 1.091 54 T CA 0.993 63.101 62.100 0.014 0.000 1.128 54 T CB -0.159 68.790 68.868 0.134 0.000 0.891 54 T HN 0.276 nan 8.240 nan 0.000 0.492 55 M N 1.052 120.491 119.600 -0.269 0.000 2.159 55 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 55 M C 2.050 178.067 176.300 -0.471 0.000 1.063 55 M CA 1.601 56.576 55.300 -0.542 0.000 1.110 55 M CB -0.255 32.222 32.600 -0.204 0.000 1.374 55 M HN 0.191 nan 8.290 nan 0.000 0.411 56 D N 0.237 120.391 120.400 -0.409 0.000 2.144 56 D HA -0.058 4.582 4.640 -0.000 0.000 0.207 56 D C 1.960 178.044 176.300 -0.359 0.000 0.970 56 D CA 2.096 55.723 54.000 -0.620 0.000 0.853 56 D CB 0.054 40.477 40.800 -0.629 0.000 1.007 56 D HN 0.155 nan 8.370 nan 0.000 0.469 57 K N 0.196 120.476 120.400 -0.199 0.000 2.519 57 K HA 0.225 4.544 4.320 -0.000 0.000 0.196 57 K C 1.901 178.485 176.600 -0.027 0.000 1.041 57 K CA 1.357 57.587 56.287 -0.094 0.000 0.954 57 K CB -0.841 31.635 32.500 -0.040 0.000 0.774 57 K HN 0.341 nan 8.250 nan 0.000 0.480 58 A N 0.650 123.437 122.820 -0.055 0.000 1.878 58 A HA 0.113 4.433 4.320 -0.000 0.000 0.213 58 A C 2.528 180.231 177.584 0.198 0.000 1.192 58 A CA 1.570 53.658 52.037 0.086 0.000 0.619 58 A CB -0.402 18.553 19.000 -0.074 0.000 0.837 58 A HN 0.864 nan 8.150 nan 0.000 0.446 59 V N -2.582 117.319 119.914 -0.023 0.000 2.871 59 V HA -0.139 3.980 4.120 -0.000 0.000 0.256 59 V C 1.946 178.067 176.094 0.044 0.000 1.082 59 V CA 1.957 64.282 62.300 0.041 0.000 1.105 59 V CB -0.798 30.929 31.823 -0.161 0.000 0.713 59 V HN 0.550 nan 8.190 nan 0.000 0.473 60 Q N 0.614 120.380 119.800 -0.056 0.000 2.123 60 Q HA -0.021 4.319 4.340 -0.000 0.000 0.196 60 Q C 2.673 178.665 176.000 -0.014 0.000 0.958 60 Q CA 1.851 57.613 55.803 -0.069 0.000 0.841 60 Q CB -0.149 28.509 28.738 -0.133 0.000 0.915 60 Q HN 0.773 nan 8.270 nan 0.000 0.455 61 R N 0.010 120.526 120.500 0.026 0.000 2.237 61 R HA -0.120 4.220 4.340 -0.000 0.000 0.219 61 R C 1.525 177.852 176.300 0.043 0.000 1.080 61 R CA 1.217 57.336 56.100 0.031 0.000 0.995 61 R CB -1.186 29.147 30.300 0.056 0.000 0.875 61 R HN 0.276 nan 8.270 nan 0.000 0.462 62 F N 0.881 120.781 119.950 -0.083 0.000 2.387 62 F HA 0.104 4.631 4.527 -0.000 0.000 0.294 62 F C 2.939 178.676 175.800 -0.106 0.000 1.093 62 F CA 1.288 59.190 58.000 -0.164 0.000 1.420 62 F CB -0.051 38.797 39.000 -0.252 0.000 1.086 62 F HN 0.325 nan 8.300 nan 0.000 0.531 63 R N 0.661 121.152 120.500 -0.015 0.000 2.092 63 R HA 0.005 4.345 4.340 -0.000 0.000 0.231 63 R C 2.255 178.467 176.300 -0.147 0.000 1.119 63 R CA 1.763 57.810 56.100 -0.089 0.000 0.970 63 R CB -2.080 28.196 30.300 -0.040 0.000 0.864 63 R HN 0.379 nan 8.270 nan 0.000 0.440 64 L N -0.514 120.634 121.223 -0.125 0.000 2.027 64 L HA 0.120 4.460 4.340 -0.000 0.000 0.206 64 L C 2.821 179.593 176.870 -0.163 0.000 1.074 64 L CA 2.735 57.504 54.840 -0.119 0.000 0.745 64 L CB -1.848 40.162 42.059 -0.082 0.000 0.898 64 L HN 0.706 nan 8.230 nan 0.000 0.433 65 Q N -1.071 118.596 119.800 -0.222 0.000 2.403 65 Q HA 0.169 4.509 4.340 -0.000 0.000 0.203 65 Q C 0.905 176.681 176.000 -0.372 0.000 0.932 65 Q CA 0.850 56.503 55.803 -0.249 0.000 0.945 65 Q CB -0.451 28.162 28.738 -0.209 0.000 1.045 65 Q HN 0.893 nan 8.270 nan 0.000 0.511 66 N N -0.362 118.040 118.700 -0.497 0.000 2.722 66 N HA 0.281 5.020 4.740 -0.000 0.000 0.242 66 N C -2.482 172.837 175.510 -0.319 0.000 1.398 66 N CA -0.992 51.771 53.050 -0.479 0.000 0.755 66 N CB 1.994 40.008 38.487 -0.787 0.000 1.268 66 N HN 0.058 nan 8.380 nan 0.000 0.522 67 P HA 0.009 nan 4.420 nan 0.000 0.220 67 P C 0.978 178.218 177.300 -0.100 0.000 1.152 67 P CA 1.102 64.122 63.100 -0.132 0.000 0.812 67 P CB 0.173 31.812 31.700 -0.102 0.000 0.792 68 D N -0.320 120.022 120.400 -0.096 0.000 2.264 68 D HA 0.093 4.733 4.640 -0.000 0.000 0.208 68 D C 1.137 177.410 176.300 -0.045 0.000 0.966 68 D CA 0.880 54.842 54.000 -0.063 0.000 0.864 68 D CB -1.118 39.648 40.800 -0.057 0.000 0.933 68 D HN 0.283 nan 8.370 nan 0.000 0.499 69 L N 0.905 122.100 121.223 -0.048 0.000 2.410 69 L HA 0.476 4.815 4.340 -0.000 0.000 0.273 69 L C 0.549 177.413 176.870 -0.009 0.000 1.152 69 L CA -0.310 54.521 54.840 -0.015 0.000 0.855 69 L CB 0.375 42.441 42.059 0.012 0.000 1.129 69 L HN 0.239 nan 8.230 nan 0.000 0.463 70 D N 2.292 122.689 120.400 -0.004 0.000 2.348 70 D HA 0.163 4.802 4.640 -0.000 0.000 0.259 70 D C 1.335 177.628 176.300 -0.012 0.000 1.296 70 D CA 0.741 54.736 54.000 -0.009 0.000 0.931 70 D CB 1.085 41.881 40.800 -0.006 0.000 1.067 70 D HN 0.675 nan 8.370 nan 0.000 0.503 71 S N 2.893 118.580 115.700 -0.020 0.000 2.368 71 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 71 S C 2.050 176.612 174.600 -0.063 0.000 1.029 71 S CA 1.645 59.822 58.200 -0.039 0.000 0.988 71 S CB 0.088 63.267 63.200 -0.036 0.000 0.838 71 S HN 0.737 nan 8.310 nan 0.000 0.462 72 E N 0.843 121.015 120.200 -0.046 0.000 2.076 72 E HA 0.248 4.597 4.350 -0.000 0.000 0.190 72 E C 1.975 178.551 176.600 -0.039 0.000 0.979 72 E CA 1.118 57.490 56.400 -0.047 0.000 0.807 72 E CB -0.920 28.761 29.700 -0.031 0.000 0.761 72 E HN 0.573 nan 8.360 nan 0.000 0.454 73 A N -0.231 122.574 122.820 -0.024 0.000 2.167 73 A HA 0.327 4.647 4.320 -0.000 0.000 0.214 73 A C 2.215 179.795 177.584 -0.007 0.000 1.151 73 A CA 1.238 53.269 52.037 -0.011 0.000 0.735 73 A CB -0.263 18.736 19.000 -0.002 0.000 0.802 73 A HN 0.469 nan 8.150 nan 0.000 0.467 74 L N 0.056 121.265 121.223 -0.023 0.000 1.993 74 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 74 L C 1.970 178.823 176.870 -0.028 0.000 1.074 74 L CA 2.243 57.072 54.840 -0.018 0.000 0.746 74 L CB -0.953 41.088 42.059 -0.031 0.000 0.896 74 L HN 0.360 nan 8.230 nan 0.000 0.435 75 L N -1.618 119.525 121.223 -0.133 0.000 2.551 75 L HA 0.080 4.420 4.340 -0.000 0.000 0.228 75 L C 1.957 178.821 176.870 -0.011 0.000 1.153 75 L CA 1.177 55.908 54.840 -0.181 0.000 0.851 75 L CB -1.996 39.711 42.059 -0.587 0.000 0.959 75 L HN 0.206 nan 8.230 nan 0.000 0.451 76 T N -0.702 113.848 114.554 -0.006 0.000 2.867 76 T HA 0.025 4.375 4.350 -0.000 0.000 0.268 76 T C 0.850 175.582 174.700 0.053 0.000 1.057 76 T CA 0.192 62.307 62.100 0.025 0.000 1.136 76 T CB -0.338 68.538 68.868 0.014 0.000 0.874 76 T HN -0.017 nan 8.240 nan 0.000 0.466 77 L N 3.086 124.344 121.223 0.059 0.000 2.601 77 L HA 0.186 4.526 4.340 -0.000 0.000 0.277 77 L C -1.906 175.015 176.870 0.086 0.000 1.219 77 L CA -2.058 52.823 54.840 0.069 0.000 0.915 77 L CB -0.829 41.274 42.059 0.073 0.000 1.160 77 L HN 0.053 nan 8.230 nan 0.000 0.494 78 P HA -0.062 nan 4.420 nan 0.000 0.269 78 P C 0.902 178.242 177.300 0.067 0.000 1.211 78 P CA -0.345 62.797 63.100 0.069 0.000 0.781 78 P CB 0.524 32.258 31.700 0.057 0.000 0.877 79 L N 2.559 123.815 121.223 0.055 0.000 2.042 79 L HA -0.181 4.158 4.340 -0.000 0.000 0.210 79 L C 1.826 178.717 176.870 0.036 0.000 1.076 79 L CA 1.895 56.757 54.840 0.038 0.000 0.749 79 L CB -0.989 41.077 42.059 0.011 0.000 0.893 79 L HN 0.258 nan 8.230 nan 0.000 0.432 80 L N -0.857 120.389 121.223 0.038 0.000 2.129 80 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 80 L C 2.496 179.391 176.870 0.043 0.000 1.087 80 L CA 1.752 56.616 54.840 0.040 0.000 0.757 80 L CB -1.880 40.207 42.059 0.047 0.000 0.896 80 L HN 0.510 nan 8.230 nan 0.000 0.434 81 Q N -0.937 118.891 119.800 0.048 0.000 2.123 81 Q HA -0.076 4.264 4.340 -0.000 0.000 0.196 81 Q C 2.393 178.426 176.000 0.056 0.000 0.958 81 Q CA 0.482 56.314 55.803 0.049 0.000 0.841 81 Q CB 0.044 28.812 28.738 0.049 0.000 0.915 81 Q HN 0.366 nan 8.270 nan 0.000 0.455 82 L N 0.135 121.396 121.223 0.064 0.000 2.012 82 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 82 L C 2.259 179.167 176.870 0.063 0.000 1.073 82 L CA 1.097 55.982 54.840 0.076 0.000 0.748 82 L CB -0.373 41.745 42.059 0.098 0.000 0.891 82 L HN 0.064 nan 8.230 nan 0.000 0.431 83 V N 0.070 120.013 119.914 0.048 0.000 2.343 83 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 83 V C 2.590 178.724 176.094 0.066 0.000 1.051 83 V CA 2.250 64.580 62.300 0.049 0.000 1.036 83 V CB -0.333 31.508 31.823 0.030 0.000 0.654 83 V HN 0.894 nan 8.190 nan 0.000 0.451 84 Q N -0.197 119.636 119.800 0.056 0.000 2.167 84 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 84 Q C 1.995 178.030 176.000 0.057 0.000 0.970 84 Q CA 1.832 57.667 55.803 0.052 0.000 0.855 84 Q CB -0.540 28.224 28.738 0.042 0.000 0.911 84 Q HN 0.477 nan 8.270 nan 0.000 0.438 85 K N -0.223 120.214 120.400 0.062 0.000 2.525 85 K HA 0.054 4.374 4.320 -0.000 0.000 0.192 85 K C 0.939 177.591 176.600 0.087 0.000 1.029 85 K CA 0.048 56.374 56.287 0.065 0.000 1.029 85 K CB 0.253 32.790 32.500 0.061 0.000 0.814 85 K HN 0.272 nan 8.250 nan 0.000 0.503 86 L N -0.102 121.188 121.223 0.112 0.000 2.316 86 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 86 L C 2.051 179.013 176.870 0.153 0.000 1.070 86 L CA 1.381 56.334 54.840 0.188 0.000 0.820 86 L CB -0.510 41.714 42.059 0.275 0.000 0.992 86 L HN 0.084 nan 8.230 nan 0.000 0.466 87 Q N -0.278 119.578 119.800 0.094 0.000 2.331 87 Q HA -0.066 4.273 4.340 -0.000 0.000 0.203 87 Q C 2.347 178.352 176.000 0.008 0.000 0.944 87 Q CA 1.252 57.071 55.803 0.028 0.000 0.892 87 Q CB 0.093 28.847 28.738 0.027 0.000 0.983 87 Q HN 0.521 nan 8.270 nan 0.000 0.482 88 S N -1.928 113.788 115.700 0.028 0.000 2.436 88 S HA 0.107 4.577 4.470 -0.000 0.000 0.228 88 S C 1.544 176.159 174.600 0.025 0.000 1.014 88 S CA 0.742 58.955 58.200 0.021 0.000 0.950 88 S CB -0.134 63.083 63.200 0.027 0.000 0.784 88 S HN 0.523 nan 8.310 nan 0.000 0.504 89 G N 0.889 109.718 108.800 0.047 0.000 2.143 89 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.249 89 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.249 89 G C 0.438 175.375 174.900 0.061 0.000 0.981 89 G CA 0.500 45.637 45.100 0.061 0.000 0.665 89 G HN 0.560 nan 8.290 nan 0.000 0.528 90 E N -0.898 119.335 120.200 0.056 0.000 2.152 90 E HA 0.125 4.475 4.350 -0.000 0.000 0.192 90 E C 0.993 177.628 176.600 0.057 0.000 0.983 90 E CA 0.385 56.815 56.400 0.048 0.000 0.818 90 E CB -0.003 29.722 29.700 0.041 0.000 0.758 90 E HN 0.571 nan 8.360 nan 0.000 0.467 91 L N 1.548 122.813 121.223 0.071 0.000 2.277 91 L HA 0.179 4.519 4.340 -0.000 0.000 0.284 91 L C 0.093 177.022 176.870 0.098 0.000 1.028 91 L CA -0.694 54.194 54.840 0.081 0.000 0.835 91 L CB 1.545 43.653 42.059 0.081 0.000 1.215 91 L HN -0.043 nan 8.230 nan 0.000 0.425 92 S N 5.114 120.873 115.700 0.100 0.000 2.558 92 S HA 0.127 4.597 4.470 -0.000 0.000 0.288 92 S C -1.100 173.561 174.600 0.102 0.000 1.318 92 S CA -0.821 57.446 58.200 0.111 0.000 1.056 92 S CB 0.714 63.978 63.200 0.107 0.000 0.853 92 S HN 0.518 nan 8.310 nan 0.000 0.505 93 P HA -0.021 nan 4.420 nan 0.000 0.226 93 P C 0.688 177.998 177.300 0.016 0.000 1.153 93 P CA 0.916 64.009 63.100 -0.012 0.000 0.777 93 P CB 0.050 31.689 31.700 -0.102 0.000 0.794 94 E N 0.359 120.585 120.200 0.043 0.000 2.150 94 E HA -0.062 4.287 4.350 -0.000 0.000 0.193 94 E C 2.221 178.760 176.600 -0.102 0.000 0.985 94 E CA 1.492 57.876 56.400 -0.026 0.000 0.814 94 E CB -0.838 28.754 29.700 -0.181 0.000 0.752 94 E HN 0.241 nan 8.360 nan 0.000 0.466 95 A N 0.388 123.251 122.820 0.071 0.000 1.903 95 A HA -0.049 4.271 4.320 -0.000 0.000 0.213 95 A C 2.410 180.075 177.584 0.136 0.000 1.185 95 A CA 0.998 53.142 52.037 0.177 0.000 0.628 95 A CB -0.664 18.486 19.000 0.250 0.000 0.830 95 A HN 0.187 nan 8.150 nan 0.000 0.446 96 V N -2.539 117.453 119.914 0.129 0.000 2.332 96 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 96 V C 2.188 178.401 176.094 0.198 0.000 1.055 96 V CA 2.015 64.411 62.300 0.160 0.000 1.038 96 V CB -1.334 30.564 31.823 0.124 0.000 0.651 96 V HN 0.455 nan 8.190 nan 0.000 0.450 97 F N 0.580 120.496 119.950 -0.055 0.000 1.992 97 F HA -0.003 4.524 4.527 -0.000 0.000 0.292 97 F C 2.106 177.809 175.800 -0.162 0.000 1.192 97 F CA 1.707 59.609 58.000 -0.162 0.000 1.157 97 F CB -0.263 38.639 39.000 -0.164 0.000 0.981 97 F HN 0.089 nan 8.300 nan 0.000 0.483 98 F N 0.624 120.321 119.950 -0.422 0.000 2.549 98 F HA -0.156 4.371 4.527 -0.000 0.000 0.295 98 F C 1.899 177.536 175.800 -0.272 0.000 1.124 98 F CA 1.286 58.980 58.000 -0.511 0.000 1.482 98 F CB -0.782 37.775 39.000 -0.739 0.000 1.108 98 F HN 0.031 nan 8.300 nan 0.000 0.602 99 T N -3.415 111.104 114.554 -0.059 0.000 2.987 99 T HA 0.004 4.353 4.350 -0.000 0.000 0.248 99 T C 1.383 175.977 174.700 -0.177 0.000 0.997 99 T CA 0.121 62.182 62.100 -0.066 0.000 1.013 99 T CB -0.227 68.628 68.868 -0.021 0.000 1.077 99 T HN 0.054 nan 8.240 nan 0.000 0.483 100 Y N 1.894 122.070 120.300 -0.207 0.000 2.163 100 Y HA 0.120 4.670 4.550 -0.000 0.000 0.288 100 Y C 2.212 177.923 175.900 -0.315 0.000 1.136 100 Y CA 0.545 58.494 58.100 -0.253 0.000 1.147 100 Y CB -0.421 37.836 38.460 -0.340 0.000 0.987 100 Y HN 0.080 nan 8.280 nan 0.000 0.509 101 L N -0.696 120.256 121.223 -0.453 0.000 2.137 101 L HA -0.268 4.072 4.340 -0.000 0.000 0.213 101 L C 2.247 179.030 176.870 -0.146 0.000 1.085 101 L CA 1.722 56.328 54.840 -0.391 0.000 0.760 101 L CB -1.063 40.493 42.059 -0.838 0.000 0.893 101 L HN 0.440 nan 8.230 nan 0.000 0.434 102 G N -0.126 108.592 108.800 -0.136 0.000 2.524 102 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.215 102 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.215 102 G C 1.587 176.531 174.900 0.073 0.000 1.239 102 G CA 0.999 46.075 45.100 -0.040 0.000 0.798 102 G HN 0.247 nan 8.290 nan 0.000 0.557 103 K N 0.738 121.151 120.400 0.023 0.000 2.057 103 K HA 0.149 4.469 4.320 -0.000 0.000 0.206 103 K C 2.709 179.372 176.600 0.105 0.000 1.050 103 K CA 1.482 57.794 56.287 0.042 0.000 0.935 103 K CB -0.617 31.850 32.500 -0.055 0.000 0.715 103 K HN 0.205 nan 8.250 nan 0.000 0.439 104 A N 0.712 123.631 122.820 0.165 0.000 1.893 104 A HA -0.294 4.026 4.320 -0.000 0.000 0.222 104 A C 2.108 179.785 177.584 0.156 0.000 1.309 104 A CA 2.294 54.449 52.037 0.197 0.000 0.681 104 A CB -1.667 17.542 19.000 0.349 0.000 0.842 104 A HN 0.769 nan 8.150 nan 0.000 0.468 105 W N 0.320 121.615 121.300 -0.008 0.000 2.350 105 W HA -0.168 4.492 4.660 -0.000 0.000 0.289 105 W C 2.139 178.639 176.519 -0.031 0.000 1.215 105 W CA 1.994 59.317 57.345 -0.036 0.000 1.236 105 W CB -0.079 29.339 29.460 -0.070 0.000 1.130 105 W HN 0.567 nan 8.180 nan 0.000 0.541 106 E N -0.268 120.029 120.200 0.162 0.000 2.028 106 E HA -0.228 4.121 4.350 -0.000 0.000 0.190 106 E C 2.223 178.735 176.600 -0.147 0.000 0.984 106 E CA 2.396 58.791 56.400 -0.009 0.000 0.800 106 E CB -0.316 29.457 29.700 0.122 0.000 0.758 106 E HN 0.206 nan 8.360 nan 0.000 0.448 107 V N 0.137 120.005 119.914 -0.076 0.000 2.626 107 V HA -0.187 3.933 4.120 -0.000 0.000 0.252 107 V C 1.932 177.955 176.094 -0.118 0.000 1.067 107 V CA 1.978 64.223 62.300 -0.090 0.000 1.081 107 V CB -1.007 30.781 31.823 -0.057 0.000 0.686 107 V HN 0.227 nan 8.190 nan 0.000 0.468 108 N N 1.200 119.816 118.700 -0.140 0.000 2.289 108 N HA -0.198 4.542 4.740 -0.000 0.000 0.184 108 N C 1.721 177.099 175.510 -0.221 0.000 1.016 108 N CA 1.639 54.592 53.050 -0.162 0.000 0.872 108 N CB -0.404 37.991 38.487 -0.154 0.000 0.973 108 N HN 0.559 nan 8.380 nan 0.000 0.433 109 K N -1.258 118.947 120.400 -0.325 0.000 2.283 109 K HA 0.052 4.371 4.320 -0.000 0.000 0.202 109 K C 1.716 178.208 176.600 -0.180 0.000 1.048 109 K CA 1.156 57.262 56.287 -0.302 0.000 0.948 109 K CB -0.095 32.153 32.500 -0.421 0.000 0.742 109 K HN 0.340 nan 8.250 nan 0.000 0.458 110 G N -0.659 108.052 108.800 -0.148 0.000 2.719 110 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.211 110 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.211 110 G C 1.286 176.141 174.900 -0.075 0.000 1.140 110 G CA 0.803 45.842 45.100 -0.101 0.000 0.790 110 G HN 0.391 nan 8.290 nan 0.000 0.529 111 T N -3.884 110.625 114.554 -0.074 0.000 2.969 111 T HA 0.135 4.485 4.350 -0.000 0.000 0.258 111 T C 0.976 175.655 174.700 -0.035 0.000 0.962 111 T CA 0.545 62.619 62.100 -0.044 0.000 0.903 111 T CB 0.043 68.891 68.868 -0.034 0.000 1.177 111 T HN 0.093 nan 8.240 nan 0.000 0.511 112 N N 0.673 119.341 118.700 -0.054 0.000 2.754 112 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 112 N C 1.005 176.494 175.510 -0.035 0.000 1.093 112 N CA 0.736 53.761 53.050 -0.040 0.000 0.699 112 N CB -2.038 36.440 38.487 -0.016 0.000 1.016 112 N HN 0.818 nan 8.380 nan 0.000 0.552 113 C N -3.497 115.776 119.300 -0.046 0.000 2.466 113 C HA 0.253 4.713 4.460 -0.000 0.000 0.278 113 C C 1.454 176.396 174.990 -0.079 0.000 1.288 113 C CA -0.060 58.929 59.018 -0.048 0.000 1.722 113 C CB -0.878 26.841 27.740 -0.035 0.000 2.017 113 C HN 0.227 nan 8.230 nan 0.000 0.488 114 V N 1.922 121.788 119.914 -0.079 0.000 2.607 114 V HA 0.329 4.449 4.120 -0.000 0.000 0.289 114 V C 0.952 176.983 176.094 -0.105 0.000 1.053 114 V CA 0.709 62.955 62.300 -0.090 0.000 0.996 114 V CB 1.415 33.205 31.823 -0.053 0.000 0.995 114 V HN 0.566 nan 8.190 nan 0.000 0.476 115 T N 1.548 116.010 114.554 -0.153 0.000 3.058 115 T HA 0.192 4.542 4.350 -0.000 0.000 0.247 115 T C 0.367 175.031 174.700 -0.061 0.000 0.987 115 T CA 0.742 62.661 62.100 -0.302 0.000 1.062 115 T CB 0.530 69.047 68.868 -0.585 0.000 1.048 115 T HN 0.839 nan 8.240 nan 0.000 0.468 116 S N 0.295 115.996 115.700 0.002 0.000 2.567 116 S HA 0.573 5.042 4.470 -0.000 0.000 0.270 116 S C -1.881 172.759 174.600 0.066 0.000 1.152 116 S CA -1.001 57.264 58.200 0.108 0.000 0.835 116 S CB 1.270 64.588 63.200 0.197 0.000 1.115 116 S HN 0.341 nan 8.310 nan 0.000 0.459 117 Y N 2.566 122.856 120.300 -0.016 0.000 2.328 117 Y HA 0.667 5.217 4.550 -0.000 0.000 0.337 117 Y C -1.131 174.708 175.900 -0.102 0.000 0.966 117 Y CA -1.274 56.782 58.100 -0.074 0.000 1.136 117 Y CB 0.874 39.338 38.460 0.006 0.000 1.170 117 Y HN 0.629 nan 8.280 nan 0.000 0.470 118 L N 7.350 128.186 121.223 -0.646 0.000 2.462 118 L HA 0.078 4.418 4.340 -0.000 0.000 0.283 118 L C 1.647 178.140 176.870 -0.628 0.000 1.166 118 L CA 0.453 54.734 54.840 -0.932 0.000 0.964 118 L CB -0.513 40.618 42.059 -1.547 0.000 1.294 118 L HN 0.988 nan 8.230 nan 0.000 0.449 119 T N -1.828 112.497 114.554 -0.382 0.000 2.759 119 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 119 T C 0.969 175.544 174.700 -0.208 0.000 1.042 119 T CA 1.308 63.136 62.100 -0.453 0.000 1.140 119 T CB -0.253 68.542 68.868 -0.122 0.000 0.864 119 T HN 0.637 nan 8.240 nan 0.000 0.455 120 D N 1.869 122.259 120.400 -0.017 0.000 2.400 120 D HA 0.050 4.690 4.640 -0.000 0.000 0.243 120 D C 1.038 177.360 176.300 0.037 0.000 1.184 120 D CA -0.221 53.804 54.000 0.042 0.000 0.853 120 D CB -1.189 39.660 40.800 0.082 0.000 0.944 120 D HN 0.697 nan 8.370 nan 0.000 0.501 121 C N -0.608 118.694 119.300 0.004 0.000 2.560 121 C HA 0.288 4.748 4.460 -0.000 0.000 0.334 121 C C 1.537 176.530 174.990 0.006 0.000 1.404 121 C CA -0.295 58.713 59.018 -0.017 0.000 2.410 121 C CB 0.772 28.571 27.740 0.098 0.000 2.268 121 C HN 0.571 nan 8.230 nan 0.000 0.673 122 E N -1.727 118.429 120.200 -0.074 0.000 4.976 122 E HA -0.308 4.041 4.350 -0.000 0.000 0.222 122 E C 1.236 177.847 176.600 0.018 0.000 0.944 122 E CA 1.949 58.372 56.400 0.038 0.000 1.778 122 E CB -2.124 27.720 29.700 0.239 0.000 1.790 122 E HN 0.986 nan 8.360 nan 0.000 0.404 123 T N -1.970 112.586 114.554 0.004 0.000 3.067 123 T HA 0.076 4.426 4.350 -0.000 0.000 0.257 123 T C 1.585 176.260 174.700 -0.042 0.000 1.105 123 T CA 1.086 63.184 62.100 -0.005 0.000 1.104 123 T CB 0.222 69.097 68.868 0.011 0.000 0.925 123 T HN 0.051 nan 8.240 nan 0.000 0.498 124 Q N 0.003 119.752 119.800 -0.084 0.000 2.360 124 Q HA 0.413 4.753 4.340 -0.000 0.000 0.202 124 Q C 1.671 177.551 176.000 -0.201 0.000 0.915 124 Q CA 0.288 56.018 55.803 -0.121 0.000 0.943 124 Q CB -0.335 28.336 28.738 -0.112 0.000 1.064 124 Q HN 0.499 nan 8.270 nan 0.000 0.511 125 L N -1.402 119.679 121.223 -0.238 0.000 2.253 125 L HA 0.049 4.388 4.340 -0.000 0.000 0.205 125 L C 1.779 178.604 176.870 -0.074 0.000 1.078 125 L CA 0.582 55.281 54.840 -0.236 0.000 0.805 125 L CB 0.014 41.892 42.059 -0.301 0.000 0.963 125 L HN 0.108 nan 8.230 nan 0.000 0.459 126 S N -0.173 115.505 115.700 -0.036 0.000 2.402 126 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 126 S C 1.563 176.173 174.600 0.016 0.000 1.021 126 S CA 1.554 59.759 58.200 0.008 0.000 0.974 126 S CB -0.197 63.013 63.200 0.016 0.000 0.800 126 S HN 0.597 nan 8.310 nan 0.000 0.484 127 Q N -0.192 119.610 119.800 0.002 0.000 2.233 127 Q HA 0.754 5.094 4.340 -0.000 0.000 0.340 127 Q C -0.050 175.958 176.000 0.014 0.000 0.899 127 Q CA 0.080 55.889 55.803 0.009 0.000 1.139 127 Q CB 0.076 28.812 28.738 -0.003 0.000 1.273 127 Q HN 0.506 nan 8.270 nan 0.000 0.431 128 A N 1.935 124.784 122.820 0.049 0.000 2.354 128 A HA 0.664 4.984 4.320 -0.000 0.000 0.281 128 A C -2.457 175.246 177.584 0.199 0.000 1.174 128 A CA -1.365 50.728 52.037 0.093 0.000 0.828 128 A CB 0.215 19.234 19.000 0.031 0.000 1.099 128 A HN 0.357 nan 8.150 nan 0.000 0.516 129 P HA 0.164 nan 4.420 nan 0.000 0.271 129 P C 0.685 177.998 177.300 0.021 0.000 1.233 129 P CA -0.340 62.786 63.100 0.044 0.000 0.764 129 P CB 0.695 32.396 31.700 0.002 0.000 0.825 130 R N 3.558 123.972 120.500 -0.143 0.000 2.073 130 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 130 R C 2.018 178.115 176.300 -0.338 0.000 1.120 130 R CA 1.780 57.609 56.100 -0.450 0.000 0.967 130 R CB -1.199 28.885 30.300 -0.361 0.000 0.862 130 R HN 0.575 nan 8.270 nan 0.000 0.436 131 Q N 0.248 119.956 119.800 -0.152 0.000 2.247 131 Q HA 0.292 4.632 4.340 -0.000 0.000 0.205 131 Q C 0.714 176.698 176.000 -0.027 0.000 0.896 131 Q CA 0.442 56.197 55.803 -0.080 0.000 0.950 131 Q CB -0.228 28.478 28.738 -0.053 0.000 1.054 131 Q HN 0.409 nan 8.270 nan 0.000 0.482 132 G N 0.657 109.452 108.800 -0.008 0.000 2.335 132 G HA2 0.302 4.262 3.960 -0.000 0.000 0.268 132 G HA3 0.302 4.262 3.960 -0.000 0.000 0.268 132 G C 0.885 175.807 174.900 0.036 0.000 1.228 132 G CA -0.499 44.609 45.100 0.013 0.000 0.968 132 G HN 0.319 nan 8.290 nan 0.000 0.459 133 L N 2.240 123.467 121.223 0.007 0.000 2.211 133 L HA -0.072 4.268 4.340 -0.000 0.000 0.216 133 L C 1.838 178.715 176.870 0.011 0.000 1.092 133 L CA 1.540 56.383 54.840 0.005 0.000 0.767 133 L CB -0.411 41.638 42.059 -0.017 0.000 0.894 133 L HN 0.531 nan 8.230 nan 0.000 0.437 134 L N -1.811 119.416 121.223 0.007 0.000 2.892 134 L HA 0.039 4.378 4.340 -0.000 0.000 0.251 134 L C 1.162 178.034 176.870 0.004 0.000 1.339 134 L CA -0.346 54.488 54.840 -0.009 0.000 0.900 134 L CB 0.163 42.189 42.059 -0.054 0.000 1.246 134 L HN 0.117 nan 8.230 nan 0.000 0.524 135 Y N 0.955 121.223 120.300 -0.054 0.000 2.114 135 Y HA -0.171 4.379 4.550 -0.000 0.000 0.284 135 Y C 1.894 177.753 175.900 -0.067 0.000 1.143 135 Y CA 2.087 60.153 58.100 -0.058 0.000 1.135 135 Y CB 0.289 38.724 38.460 -0.042 0.000 0.980 135 Y HN 0.300 nan 8.280 nan 0.000 0.499 136 G N -0.483 108.048 108.800 -0.449 0.000 2.939 136 G HA2 0.104 4.064 3.960 -0.000 0.000 0.216 136 G HA3 0.104 4.064 3.960 -0.000 0.000 0.216 136 G C -0.148 174.592 174.900 -0.267 0.000 1.125 136 G CA 0.168 44.937 45.100 -0.553 0.000 0.766 136 G HN 0.147 nan 8.290 nan 0.000 0.541 137 V N 3.873 123.689 119.914 -0.164 0.000 2.611 137 V HA 0.073 4.193 4.120 -0.000 0.000 0.296 137 V C -1.701 174.313 176.094 -0.134 0.000 1.006 137 V CA -0.439 61.781 62.300 -0.134 0.000 1.194 137 V CB 0.308 32.073 31.823 -0.097 0.000 0.871 137 V HN 0.214 nan 8.190 nan 0.000 0.470 138 P HA 0.465 nan 4.420 nan 0.000 0.292 138 P C -0.831 176.583 177.300 0.190 0.000 1.283 138 P CA -0.408 62.698 63.100 0.011 0.000 0.835 138 P CB 1.872 33.507 31.700 -0.108 0.000 1.017 139 V N 0.025 120.121 119.914 0.303 0.000 2.555 139 V HA 0.616 4.736 4.120 -0.000 0.000 0.302 139 V C 0.078 176.121 176.094 -0.085 0.000 1.038 139 V CA -0.924 61.456 62.300 0.133 0.000 0.887 139 V CB 1.196 32.996 31.823 -0.039 0.000 0.991 139 V HN 0.588 nan 8.190 nan 0.000 0.434 140 S N 5.648 121.211 115.700 -0.230 0.000 2.510 140 S HA 0.614 5.084 4.470 -0.000 0.000 0.279 140 S C -0.338 174.117 174.600 -0.241 0.000 1.284 140 S CA -0.553 57.407 58.200 -0.400 0.000 1.059 140 S CB 0.191 63.219 63.200 -0.286 0.000 0.901 140 S HN 0.745 nan 8.310 nan 0.000 0.491 141 L N 2.908 124.002 121.223 -0.216 0.000 2.280 141 L HA 0.444 4.783 4.340 -0.000 0.000 0.287 141 L C 0.532 177.476 176.870 0.124 0.000 1.023 141 L CA -0.782 54.011 54.840 -0.078 0.000 0.819 141 L CB 1.263 43.316 42.059 -0.012 0.000 1.212 141 L HN 0.694 nan 8.230 nan 0.000 0.420 142 K N 1.829 122.344 120.400 0.192 0.000 2.527 142 K HA -0.143 4.177 4.320 -0.000 0.000 0.278 142 K C 1.142 177.871 176.600 0.215 0.000 0.981 142 K CA 0.286 56.728 56.287 0.257 0.000 1.009 142 K CB 0.807 33.536 32.500 0.382 0.000 0.895 142 K HN 0.644 nan 8.250 nan 0.000 0.493 143 E N 3.013 123.158 120.200 -0.092 0.000 2.118 143 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 143 E C 1.657 178.023 176.600 -0.391 0.000 0.992 143 E CA 2.140 58.246 56.400 -0.491 0.000 0.804 143 E CB -0.241 29.225 29.700 -0.389 0.000 0.741 143 E HN 0.800 nan 8.360 nan 0.000 0.458 144 C N -0.076 119.113 119.300 -0.185 0.000 2.411 144 C HA -0.015 4.444 4.460 -0.000 0.000 0.279 144 C C 1.238 176.105 174.990 -0.204 0.000 1.288 144 C CA -0.585 58.311 59.018 -0.204 0.000 1.764 144 C CB -1.822 25.752 27.740 -0.277 0.000 1.974 144 C HN 0.216 nan 8.230 nan 0.000 0.498 145 F N 4.227 124.205 119.950 0.047 0.000 2.502 145 F HA 0.237 4.764 4.527 -0.000 0.000 0.361 145 F C 1.422 177.368 175.800 0.244 0.000 1.157 145 F CA 0.241 58.319 58.000 0.130 0.000 1.096 145 F CB -0.346 38.734 39.000 0.133 0.000 1.141 145 F HN 0.299 nan 8.300 nan 0.000 0.579 146 S N 3.059 118.936 115.700 0.295 0.000 2.580 146 S HA 0.306 4.775 4.470 -0.000 0.000 0.266 146 S C -0.985 173.826 174.600 0.352 0.000 1.354 146 S CA -0.391 57.991 58.200 0.304 0.000 1.008 146 S CB 0.887 64.195 63.200 0.181 0.000 0.898 146 S HN 0.588 nan 8.310 nan 0.000 0.555 147 Y N -0.938 119.459 120.300 0.163 0.000 2.436 147 Y HA 0.430 4.980 4.550 -0.000 0.000 0.327 147 Y C -0.168 175.814 175.900 0.137 0.000 1.138 147 Y CA -0.552 57.600 58.100 0.087 0.000 1.042 147 Y CB 0.977 39.398 38.460 -0.066 0.000 1.302 147 Y HN 0.914 nan 8.280 nan 0.000 0.439 148 K N 2.458 122.910 120.400 0.087 0.000 2.245 148 K HA 0.499 4.819 4.320 -0.000 0.000 0.281 148 K C 0.870 177.582 176.600 0.188 0.000 1.079 148 K CA 0.462 56.805 56.287 0.094 0.000 1.000 148 K CB -0.649 31.841 32.500 -0.016 0.000 1.038 148 K HN 1.668 nan 8.250 nan 0.000 0.430 149 G N 1.134 110.036 108.800 0.170 0.000 2.205 149 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.180 149 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.180 149 G C -0.066 174.791 174.900 -0.072 0.000 1.004 149 G CA -0.107 45.031 45.100 0.063 0.000 0.670 149 G HN 0.820 nan 8.290 nan 0.000 0.496 150 H N 0.965 120.131 119.070 0.160 0.000 2.524 150 H HA 0.301 4.857 4.556 -0.000 0.000 0.353 150 H C -0.755 174.684 175.328 0.184 0.000 1.136 150 H CA -0.712 55.435 56.048 0.165 0.000 1.193 150 H CB 1.456 31.311 29.762 0.155 0.000 1.558 150 H HN 0.215 nan 8.280 nan 0.000 0.515 151 D N 1.379 121.927 120.400 0.246 0.000 2.424 151 D HA -0.026 4.614 4.640 -0.000 0.000 0.244 151 D C -0.100 176.308 176.300 0.180 0.000 1.134 151 D CA 0.495 54.608 54.000 0.188 0.000 0.881 151 D CB 1.105 42.002 40.800 0.162 0.000 1.191 151 D HN 0.291 nan 8.370 nan 0.000 0.445 152 S N 1.301 117.068 115.700 0.111 0.000 3.315 152 S HA 0.090 4.560 4.470 -0.000 0.000 0.195 152 S C 0.352 174.962 174.600 0.017 0.000 1.394 152 S CA -0.713 57.493 58.200 0.011 0.000 0.983 152 S CB 0.023 63.239 63.200 0.027 0.000 1.370 152 S HN 0.484 nan 8.310 nan 0.000 0.491 153 T N 1.597 116.179 114.554 0.047 0.000 2.834 153 T HA 0.298 4.648 4.350 -0.000 0.000 0.298 153 T C -0.041 174.677 174.700 0.030 0.000 0.966 153 T CA -0.535 61.605 62.100 0.066 0.000 1.141 153 T CB 0.164 69.131 68.868 0.165 0.000 0.905 153 T HN 0.082 nan 8.240 nan 0.000 0.535 154 L N 5.196 126.418 121.223 -0.001 0.000 2.475 154 L HA 0.454 4.793 4.340 -0.000 0.000 0.253 154 L C 1.681 178.549 176.870 -0.003 0.000 1.137 154 L CA 0.434 55.266 54.840 -0.012 0.000 1.058 154 L CB -0.384 41.655 42.059 -0.033 0.000 1.382 154 L HN 1.198 nan 8.230 nan 0.000 0.416 155 G N 1.663 110.501 108.800 0.064 0.000 2.228 155 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.270 155 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.270 155 G C 0.252 175.163 174.900 0.017 0.000 0.976 155 G CA 0.230 45.377 45.100 0.078 0.000 0.636 155 G HN 0.334 nan 8.290 nan 0.000 0.542 156 L N 1.221 122.429 121.223 -0.025 0.000 2.313 156 L HA 0.606 4.946 4.340 -0.000 0.000 0.283 156 L C 1.664 178.500 176.870 -0.057 0.000 1.013 156 L CA 0.244 55.024 54.840 -0.100 0.000 0.816 156 L CB 1.582 43.526 42.059 -0.190 0.000 1.236 156 L HN 0.267 nan 8.230 nan 0.000 0.419 157 S N 2.518 118.187 115.700 -0.052 0.000 2.481 157 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 157 S C 1.676 176.255 174.600 -0.036 0.000 0.996 157 S CA 0.410 58.593 58.200 -0.028 0.000 0.942 157 S CB -0.361 62.843 63.200 0.007 0.000 0.768 157 S HN 0.542 nan 8.310 nan 0.000 0.520 158 L N 3.427 124.611 121.223 -0.065 0.000 2.012 158 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 158 L C 0.880 177.732 176.870 -0.030 0.000 1.073 158 L CA 2.128 56.933 54.840 -0.058 0.000 0.748 158 L CB -0.959 41.043 42.059 -0.095 0.000 0.891 158 L HN 0.588 nan 8.230 nan 0.000 0.431 159 N N -1.483 117.201 118.700 -0.027 0.000 2.389 159 N HA 0.056 4.796 4.740 -0.000 0.000 0.260 159 N C 1.016 176.539 175.510 0.023 0.000 1.191 159 N CA 0.340 53.392 53.050 0.003 0.000 0.885 159 N CB 0.050 38.544 38.487 0.011 0.000 1.162 159 N HN 0.398 nan 8.380 nan 0.000 0.512 160 E N 0.713 120.921 120.200 0.012 0.000 2.208 160 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 160 E C 1.397 178.013 176.600 0.027 0.000 0.988 160 E CA 1.162 57.575 56.400 0.021 0.000 0.828 160 E CB -0.530 29.163 29.700 -0.011 0.000 0.763 160 E HN 0.420 nan 8.360 nan 0.000 0.478 161 G N -0.064 108.748 108.800 0.020 0.000 3.337 161 G HA2 0.330 4.290 3.960 -0.000 0.000 0.246 161 G HA3 0.330 4.290 3.960 -0.000 0.000 0.246 161 G C -0.346 174.569 174.900 0.024 0.000 1.131 161 G CA -0.042 45.069 45.100 0.018 0.000 0.773 161 G HN 0.171 nan 8.290 nan 0.000 0.544 162 M N 0.506 120.127 119.600 0.034 0.000 2.183 162 M HA 0.481 4.961 4.480 -0.000 0.000 0.277 162 M C -3.150 173.184 176.300 0.056 0.000 0.995 162 M CA -3.019 52.304 55.300 0.039 0.000 0.969 162 M CB 2.125 34.746 32.600 0.035 0.000 1.659 162 M HN -0.260 nan 8.290 nan 0.000 0.462 163 P HA 0.468 nan 4.420 nan 0.000 0.278 163 P C -0.912 176.440 177.300 0.086 0.000 1.266 163 P CA -0.423 62.725 63.100 0.080 0.000 0.807 163 P CB 0.883 32.613 31.700 0.050 0.000 1.094 164 S N -0.321 115.453 115.700 0.124 0.000 2.564 164 S HA 0.301 4.770 4.470 -0.000 0.000 0.278 164 S C 1.674 176.325 174.600 0.084 0.000 1.333 164 S CA 0.033 58.301 58.200 0.113 0.000 1.048 164 S CB 0.441 63.733 63.200 0.153 0.000 0.900 164 S HN 0.647 nan 8.310 nan 0.000 0.505 165 E N 1.531 121.766 120.200 0.058 0.000 2.112 165 E HA 0.055 4.405 4.350 -0.000 0.000 0.190 165 E C 0.986 177.602 176.600 0.028 0.000 0.979 165 E CA 1.085 57.507 56.400 0.037 0.000 0.814 165 E CB -0.087 29.628 29.700 0.026 0.000 0.762 165 E HN 0.678 nan 8.360 nan 0.000 0.460 166 S N -0.042 115.674 115.700 0.028 0.000 2.541 166 S HA 0.423 4.892 4.470 -0.000 0.000 0.280 166 S C -1.655 172.942 174.600 -0.005 0.000 1.112 166 S CA -0.588 57.613 58.200 0.002 0.000 0.925 166 S CB 1.605 64.804 63.200 -0.002 0.000 1.067 166 S HN 0.186 nan 8.310 nan 0.000 0.479 167 D N 2.810 123.168 120.400 -0.070 0.000 2.502 167 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 167 D C 0.972 177.253 176.300 -0.033 0.000 1.188 167 D CA 0.512 54.443 54.000 -0.116 0.000 0.890 167 D CB -0.183 40.481 40.800 -0.227 0.000 1.140 167 D HN 0.807 nan 8.370 nan 0.000 0.505 168 C N 1.356 120.674 119.300 0.030 0.000 2.741 168 C HA 0.034 4.494 4.460 -0.000 0.000 0.403 168 C C 2.106 177.126 174.990 0.050 0.000 1.282 168 C CA -0.915 58.142 59.018 0.065 0.000 2.053 168 C CB 0.097 27.917 27.740 0.134 0.000 2.731 168 C HN 0.546 nan 8.230 nan 0.000 0.680 169 V N 3.107 123.054 119.914 0.055 0.000 2.231 169 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 169 V C 2.672 178.785 176.094 0.031 0.000 1.054 169 V CA 2.980 65.304 62.300 0.039 0.000 1.015 169 V CB -0.949 30.902 31.823 0.047 0.000 0.638 169 V HN 1.069 nan 8.190 nan 0.000 0.444 170 V N -2.161 117.792 119.914 0.066 0.000 2.626 170 V HA -0.124 3.996 4.120 -0.000 0.000 0.252 170 V C 2.178 178.259 176.094 -0.021 0.000 1.067 170 V CA 1.812 64.129 62.300 0.027 0.000 1.081 170 V CB -0.536 31.323 31.823 0.060 0.000 0.686 170 V HN 0.282 nan 8.190 nan 0.000 0.468 171 V N 0.275 120.191 119.914 0.003 0.000 2.343 171 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 171 V C 2.848 178.892 176.094 -0.084 0.000 1.051 171 V CA 2.663 64.938 62.300 -0.041 0.000 1.036 171 V CB -0.685 31.138 31.823 -0.001 0.000 0.654 171 V HN 0.595 nan 8.190 nan 0.000 0.451 172 Q N -0.639 119.116 119.800 -0.074 0.000 2.084 172 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 172 Q C 2.302 178.240 176.000 -0.104 0.000 0.978 172 Q CA 2.226 57.975 55.803 -0.089 0.000 0.844 172 Q CB -0.202 28.502 28.738 -0.056 0.000 0.898 172 Q HN 0.719 nan 8.270 nan 0.000 0.426 173 V N -1.868 117.990 119.914 -0.094 0.000 2.719 173 V HA -0.104 4.016 4.120 -0.000 0.000 0.252 173 V C 1.836 177.839 176.094 -0.152 0.000 1.065 173 V CA 0.945 63.162 62.300 -0.137 0.000 1.086 173 V CB -0.386 31.378 31.823 -0.099 0.000 0.700 173 V HN 0.288 nan 8.190 nan 0.000 0.467 174 L N -0.078 121.073 121.223 -0.120 0.000 2.017 174 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 174 L C 2.904 179.703 176.870 -0.119 0.000 1.073 174 L CA 2.363 57.133 54.840 -0.116 0.000 0.745 174 L CB -0.528 41.467 42.059 -0.107 0.000 0.894 174 L HN 0.288 nan 8.230 nan 0.000 0.432 175 K N -0.445 119.883 120.400 -0.120 0.000 2.002 175 K HA -0.197 4.122 4.320 -0.000 0.000 0.209 175 K C 1.933 178.455 176.600 -0.131 0.000 1.048 175 K CA 1.145 57.360 56.287 -0.120 0.000 0.930 175 K CB -0.207 32.217 32.500 -0.127 0.000 0.714 175 K HN 0.044 nan 8.250 nan 0.000 0.438 176 L N 1.013 122.129 121.223 -0.178 0.000 2.265 176 L HA -0.152 4.187 4.340 -0.000 0.000 0.215 176 L C 1.560 178.284 176.870 -0.243 0.000 1.117 176 L CA 1.616 56.308 54.840 -0.247 0.000 0.782 176 L CB -0.502 41.299 42.059 -0.429 0.000 0.914 176 L HN 0.125 nan 8.230 nan 0.000 0.441 177 Q N -1.034 118.648 119.800 -0.197 0.000 2.225 177 Q HA 0.317 4.657 4.340 -0.000 0.000 0.222 177 Q C 1.327 177.293 176.000 -0.056 0.000 0.887 177 Q CA 0.586 56.315 55.803 -0.124 0.000 0.958 177 Q CB -0.220 28.444 28.738 -0.124 0.000 1.058 177 Q HN 0.428 nan 8.270 nan 0.000 0.459 178 G N -0.844 107.933 108.800 -0.038 0.000 2.420 178 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.221 178 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.221 178 G C 0.436 175.280 174.900 -0.093 0.000 1.117 178 G CA -0.163 44.947 45.100 0.017 0.000 0.657 178 G HN 0.716 nan 8.290 nan 0.000 0.512 179 A N 0.044 122.803 122.820 -0.102 0.000 2.507 179 A HA 0.533 4.852 4.320 -0.000 0.000 0.235 179 A C 0.711 178.221 177.584 -0.124 0.000 1.070 179 A CA 0.989 52.955 52.037 -0.118 0.000 0.768 179 A CB 0.455 19.401 19.000 -0.090 0.000 1.011 179 A HN 1.614 nan 8.150 nan 0.000 0.502 180 V N 1.155 120.999 119.914 -0.116 0.000 2.266 180 V HA 0.335 4.455 4.120 -0.000 0.000 0.266 180 V C -2.806 173.361 176.094 0.121 0.000 1.036 180 V CA -1.840 60.387 62.300 -0.122 0.000 0.828 180 V CB 0.575 32.137 31.823 -0.435 0.000 1.081 180 V HN 0.663 nan 8.190 nan 0.000 0.449 181 P HA 0.302 nan 4.420 nan 0.000 0.282 181 P C 0.016 177.413 177.300 0.162 0.000 1.274 181 P CA -0.121 63.079 63.100 0.167 0.000 0.770 181 P CB 0.496 32.283 31.700 0.146 0.000 0.867 182 F N 2.987 122.905 119.950 -0.052 0.000 2.711 182 F HA 0.331 4.858 4.527 -0.000 0.000 0.296 182 F C -0.046 175.669 175.800 -0.142 0.000 1.096 182 F CA -0.413 57.572 58.000 -0.025 0.000 1.280 182 F CB -0.197 38.911 39.000 0.180 0.000 1.060 182 F HN 0.037 nan 8.300 nan 0.000 0.608 183 V N -0.924 118.599 119.914 -0.651 0.000 2.686 183 V HA 0.498 4.618 4.120 -0.000 0.000 0.306 183 V C -0.931 174.902 176.094 -0.435 0.000 1.065 183 V CA -1.010 60.979 62.300 -0.518 0.000 0.894 183 V CB 0.860 32.353 31.823 -0.550 0.000 1.004 183 V HN 0.287 nan 8.190 nan 0.000 0.424 184 H N 2.402 121.257 119.070 -0.358 0.000 2.652 184 H HA 0.659 5.215 4.556 -0.000 0.000 0.349 184 H C 0.419 175.599 175.328 -0.246 0.000 1.099 184 H CA 0.466 56.350 56.048 -0.273 0.000 1.417 184 H CB 1.504 31.120 29.762 -0.243 0.000 1.457 184 H HN 1.020 nan 8.280 nan 0.000 0.568 185 T N 0.667 115.184 114.554 -0.063 0.000 2.900 185 T HA 0.196 4.546 4.350 -0.000 0.000 0.295 185 T C -0.106 174.506 174.700 -0.146 0.000 1.044 185 T CA -1.241 60.789 62.100 -0.116 0.000 0.995 185 T CB 1.737 70.554 68.868 -0.086 0.000 1.072 185 T HN 0.465 nan 8.240 nan 0.000 0.473 186 N N 0.408 119.024 118.700 -0.140 0.000 2.453 186 N HA 0.460 5.199 4.740 -0.000 0.000 0.253 186 N C -0.343 175.121 175.510 -0.076 0.000 1.252 186 N CA -0.181 52.779 53.050 -0.150 0.000 0.917 186 N CB 0.669 39.100 38.487 -0.094 0.000 1.117 186 N HN 0.794 nan 8.380 nan 0.000 0.442 187 V N -0.297 119.584 119.914 -0.055 0.000 2.962 187 V HA 0.725 4.845 4.120 -0.000 0.000 0.313 187 V C -2.575 173.542 176.094 0.038 0.000 1.099 187 V CA -2.314 59.985 62.300 -0.003 0.000 0.971 187 V CB 1.732 33.548 31.823 -0.011 0.000 1.028 187 V HN 0.607 nan 8.190 nan 0.000 0.430 188 P HA 0.023 nan 4.420 nan 0.000 0.266 188 P C 0.634 177.995 177.300 0.102 0.000 1.195 188 P CA 0.504 63.650 63.100 0.077 0.000 0.768 188 P CB 0.869 32.619 31.700 0.083 0.000 0.838 189 Q N 3.738 123.610 119.800 0.121 0.000 2.078 189 Q HA -0.307 4.033 4.340 -0.000 0.000 0.313 189 Q C 0.826 176.889 176.000 0.105 0.000 1.063 189 Q CA 3.005 58.886 55.803 0.130 0.000 0.910 189 Q CB -1.229 27.634 28.738 0.208 0.000 0.975 189 Q HN 0.410 nan 8.270 nan 0.000 0.468 190 S N -0.990 114.834 115.700 0.207 0.000 2.489 190 S HA 0.309 4.779 4.470 -0.000 0.000 0.237 190 S C -0.035 174.734 174.600 0.283 0.000 1.220 190 S CA 0.448 58.758 58.200 0.182 0.000 1.231 190 S CB -0.393 62.876 63.200 0.114 0.000 0.900 190 S HN 0.493 nan 8.310 nan 0.000 0.492 191 M N -1.135 118.570 119.600 0.175 0.000 2.852 191 M HA -0.238 4.242 4.480 -0.000 0.000 0.165 191 M C 0.186 176.574 176.300 0.148 0.000 0.671 191 M CA 0.916 56.294 55.300 0.129 0.000 0.627 191 M CB -1.310 31.335 32.600 0.074 0.000 2.280 191 M HN 0.423 nan 8.290 nan 0.000 0.278 192 L N 1.352 122.712 121.223 0.228 0.000 2.990 192 L HA 0.510 4.850 4.340 -0.000 0.000 0.231 192 L C 0.220 177.183 176.870 0.155 0.000 1.341 192 L CA 0.474 55.403 54.840 0.147 0.000 1.208 192 L CB 0.427 42.497 42.059 0.018 0.000 1.571 192 L HN 0.262 nan 8.230 nan 0.000 0.453 193 S N -0.205 115.577 115.700 0.137 0.000 2.547 193 S HA 0.411 4.881 4.470 -0.000 0.000 0.270 193 S C -0.190 174.476 174.600 0.111 0.000 1.150 193 S CA -0.659 57.610 58.200 0.115 0.000 0.850 193 S CB 0.760 63.994 63.200 0.057 0.000 1.118 193 S HN 0.273 nan 8.310 nan 0.000 0.461 194 F N 1.574 121.397 119.950 -0.213 0.000 2.730 194 F HA 0.623 5.150 4.527 -0.000 0.000 0.295 194 F C 0.027 175.657 175.800 -0.284 0.000 1.143 194 F CA -0.621 57.149 58.000 -0.384 0.000 1.367 194 F CB 0.039 38.429 39.000 -1.017 0.000 0.970 194 F HN 0.432 nan 8.300 nan 0.000 0.514 195 D N 0.253 120.477 120.400 -0.293 0.000 2.493 195 D HA 0.448 5.087 4.640 -0.000 0.000 0.239 195 D C -1.427 174.840 176.300 -0.054 0.000 1.049 195 D CA -0.683 53.216 54.000 -0.169 0.000 1.008 195 D CB 2.377 43.048 40.800 -0.215 0.000 1.398 195 D HN 0.227 nan 8.370 nan 0.000 0.513 196 C N 1.526 120.820 119.300 -0.010 0.000 2.482 196 C HA 0.888 5.347 4.460 -0.000 0.000 0.317 196 C C -1.347 173.658 174.990 0.024 0.000 1.197 196 C CA 0.033 59.062 59.018 0.018 0.000 1.432 196 C CB -0.193 27.564 27.740 0.029 0.000 2.062 196 C HN 0.548 nan 8.230 nan 0.000 0.471 197 S N 4.704 120.428 115.700 0.039 0.000 2.799 197 S HA 0.379 4.849 4.470 -0.000 0.000 0.303 197 S C -1.918 172.725 174.600 0.071 0.000 0.835 197 S CA -0.519 57.710 58.200 0.048 0.000 0.783 197 S CB 0.276 63.494 63.200 0.030 0.000 0.985 197 S HN 1.292 nan 8.310 nan 0.000 0.507 198 N N 3.823 122.576 118.700 0.088 0.000 2.405 198 N HA 0.454 5.194 4.740 -0.000 0.000 0.274 198 N C -2.947 172.595 175.510 0.054 0.000 1.170 198 N CA -1.567 51.543 53.050 0.099 0.000 0.848 198 N CB 1.813 40.387 38.487 0.145 0.000 1.629 198 N HN 0.284 nan 8.380 nan 0.000 0.481 199 P HA -0.005 nan 4.420 nan 0.000 0.222 199 P C 1.391 178.588 177.300 -0.171 0.000 1.147 199 P CA 0.510 63.550 63.100 -0.100 0.000 0.790 199 P CB 0.338 31.987 31.700 -0.086 0.000 0.780 200 L N -3.196 117.928 121.223 -0.166 0.000 2.240 200 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 200 L C 1.556 177.984 176.870 -0.737 0.000 1.106 200 L CA 1.817 56.384 54.840 -0.454 0.000 0.793 200 L CB -0.652 41.090 42.059 -0.527 0.000 0.927 200 L HN -0.046 nan 8.230 nan 0.000 0.446 201 F N -2.197 117.731 119.950 -0.037 0.000 2.754 201 F HA 0.541 5.068 4.527 -0.000 0.000 0.316 201 F C 1.187 176.965 175.800 -0.035 0.000 0.959 201 F CA 0.303 58.285 58.000 -0.029 0.000 1.148 201 F CB 0.229 39.218 39.000 -0.017 0.000 0.951 201 F HN -0.082 nan 8.300 nan 0.000 0.625 202 G N 0.898 109.777 108.800 0.132 0.000 2.408 202 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.682 202 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.682 202 G C -1.385 173.548 174.900 0.055 0.000 1.303 202 G CA -1.105 44.029 45.100 0.055 0.000 0.966 202 G HN 0.146 nan 8.290 nan 0.000 0.560 203 Q N -0.360 119.455 119.800 0.025 0.000 2.332 203 Q HA 0.554 4.894 4.340 -0.000 0.000 0.263 203 Q C 0.024 176.035 176.000 0.019 0.000 0.979 203 Q CA 0.394 56.209 55.803 0.020 0.000 0.885 203 Q CB 0.497 29.239 28.738 0.007 0.000 1.218 203 Q HN 0.569 nan 8.270 nan 0.000 0.405 204 T N 4.894 119.460 114.554 0.021 0.000 2.771 204 T HA 0.450 4.800 4.350 -0.000 0.000 0.281 204 T C -0.601 174.115 174.700 0.026 0.000 0.982 204 T CA -0.569 61.542 62.100 0.018 0.000 0.978 204 T CB 0.597 69.475 68.868 0.018 0.000 0.930 204 T HN 0.522 nan 8.240 nan 0.000 0.447 205 M N 3.058 122.671 119.600 0.021 0.000 2.409 205 M HA 0.339 4.819 4.480 -0.000 0.000 0.329 205 M C 0.784 177.120 176.300 0.060 0.000 1.180 205 M CA -0.716 54.604 55.300 0.033 0.000 1.053 205 M CB 0.435 33.044 32.600 0.015 0.000 1.586 205 M HN 0.369 nan 8.290 nan 0.000 0.461 206 N N 3.126 121.881 118.700 0.092 0.000 2.357 206 N HA -0.016 4.723 4.740 -0.000 0.000 0.257 206 N C -1.731 173.837 175.510 0.097 0.000 1.250 206 N CA -0.658 52.477 53.050 0.141 0.000 0.862 206 N CB 0.760 39.345 38.487 0.163 0.000 1.066 206 N HN 0.391 nan 8.380 nan 0.000 0.468 207 P HA -0.145 nan 4.420 nan 0.000 0.216 207 P C 0.917 178.146 177.300 -0.118 0.000 1.153 207 P CA 1.688 64.741 63.100 -0.079 0.000 0.858 207 P CB -0.086 31.497 31.700 -0.195 0.000 0.789 208 W N 0.391 121.699 121.300 0.012 0.000 2.518 208 W HA 0.145 4.805 4.660 -0.000 0.000 0.273 208 W C 1.137 177.652 176.519 -0.008 0.000 1.247 208 W CA 0.522 57.869 57.345 0.003 0.000 1.288 208 W CB -0.015 29.447 29.460 0.003 0.000 1.107 208 W HN -0.088 nan 8.180 nan 0.000 0.586 209 K N -0.660 119.853 120.400 0.188 0.000 2.616 209 K HA 0.153 4.473 4.320 -0.000 0.000 0.255 209 K C 0.337 176.973 176.600 0.061 0.000 0.995 209 K CA -0.144 56.203 56.287 0.100 0.000 0.860 209 K CB 1.351 33.904 32.500 0.088 0.000 1.264 209 K HN -0.382 nan 8.250 nan 0.000 0.451 210 S N 0.286 116.004 115.700 0.031 0.000 2.447 210 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 210 S C 1.325 175.931 174.600 0.011 0.000 1.006 210 S CA 1.437 59.646 58.200 0.014 0.000 0.957 210 S CB 0.003 63.202 63.200 -0.002 0.000 0.773 210 S HN 0.713 nan 8.310 nan 0.000 0.507 211 S N 0.251 115.957 115.700 0.009 0.000 2.671 211 S HA 0.246 4.716 4.470 -0.000 0.000 0.220 211 S C 0.360 174.959 174.600 -0.002 0.000 0.951 211 S CA -0.256 57.944 58.200 0.000 0.000 0.932 211 S CB 0.132 63.329 63.200 -0.005 0.000 0.777 211 S HN 0.036 nan 8.310 nan 0.000 0.508 212 K N 1.054 121.460 120.400 0.011 0.000 2.238 212 K HA 0.498 4.818 4.320 -0.000 0.000 0.239 212 K C -0.387 176.234 176.600 0.035 0.000 0.987 212 K CA -0.605 55.685 56.287 0.005 0.000 0.857 212 K CB 1.676 34.174 32.500 -0.003 0.000 1.154 212 K HN 0.116 nan 8.250 nan 0.000 0.439 213 S N 1.813 117.539 115.700 0.044 0.000 2.565 213 S HA 0.203 4.673 4.470 -0.000 0.000 0.276 213 S C -1.657 173.088 174.600 0.241 0.000 1.326 213 S CA -1.397 56.878 58.200 0.126 0.000 1.045 213 S CB 0.538 63.837 63.200 0.165 0.000 0.918 213 S HN 0.293 nan 8.310 nan 0.000 0.505 214 P HA 0.198 nan 4.420 nan 0.000 0.249 214 P C 0.530 178.020 177.300 0.316 0.000 1.229 214 P CA 0.368 63.625 63.100 0.261 0.000 0.788 214 P CB -0.577 31.214 31.700 0.151 0.000 1.072 215 G N -0.615 108.375 108.800 0.318 0.000 2.757 215 G HA2 0.145 4.105 3.960 -0.000 0.000 0.686 215 G HA3 0.145 4.105 3.960 -0.000 0.000 0.686 215 G C -0.164 174.734 174.900 -0.002 0.000 1.452 215 G CA -0.619 44.439 45.100 -0.070 0.000 0.922 215 G HN 0.556 nan 8.290 nan 0.000 0.588 216 G N -1.247 107.543 108.800 -0.016 0.000 2.733 216 G HA2 0.797 4.757 3.960 -0.000 0.000 0.288 216 G HA3 0.797 4.757 3.960 -0.000 0.000 0.288 216 G C 0.777 175.751 174.900 0.124 0.000 1.373 216 G CA 0.659 45.790 45.100 0.051 0.000 0.895 216 G HN 2.023 nan 8.290 nan 0.000 0.479 217 S N -1.149 114.620 115.700 0.114 0.000 2.540 217 S HA 0.116 4.585 4.470 -0.000 0.000 0.218 217 S C 0.847 175.485 174.600 0.064 0.000 0.977 217 S CA 0.313 58.560 58.200 0.077 0.000 0.918 217 S CB -0.008 63.237 63.200 0.074 0.000 0.806 217 S HN 0.357 nan 8.310 nan 0.000 0.496 218 S N 1.973 117.718 115.700 0.075 0.000 4.120 218 S HA 0.379 4.849 4.470 -0.000 0.000 0.196 218 S C 1.379 176.015 174.600 0.060 0.000 1.447 218 S CA -0.206 58.037 58.200 0.072 0.000 0.939 218 S CB 0.217 63.468 63.200 0.085 0.000 1.496 218 S HN 0.623 nan 8.310 nan 0.000 0.460 219 G N 2.375 111.201 108.800 0.044 0.000 2.454 219 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 219 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 219 G C 1.391 176.312 174.900 0.036 0.000 1.217 219 G CA 0.492 45.618 45.100 0.044 0.000 0.799 219 G HN 0.617 nan 8.290 nan 0.000 0.538 220 G N 0.736 109.539 108.800 0.005 0.000 2.545 220 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.217 220 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.217 220 G C 1.561 176.459 174.900 -0.003 0.000 1.218 220 G CA 1.431 46.521 45.100 -0.017 0.000 0.787 220 G HN 0.328 nan 8.290 nan 0.000 0.571 221 E N 0.428 120.627 120.200 -0.001 0.000 2.170 221 E HA -0.247 4.103 4.350 -0.000 0.000 0.229 221 E C 2.642 179.264 176.600 0.037 0.000 1.074 221 E CA 1.699 58.105 56.400 0.009 0.000 0.930 221 E CB -1.263 28.454 29.700 0.030 0.000 0.806 221 E HN 0.374 nan 8.360 nan 0.000 0.478 222 G N 0.532 109.370 108.800 0.063 0.000 2.421 222 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 222 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 222 G C 1.732 176.699 174.900 0.112 0.000 1.171 222 G CA 1.833 46.992 45.100 0.099 0.000 0.775 222 G HN 0.450 nan 8.290 nan 0.000 0.543 223 A N 0.024 122.899 122.820 0.093 0.000 1.969 223 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 223 A C 2.295 179.909 177.584 0.049 0.000 1.169 223 A CA 1.588 53.674 52.037 0.081 0.000 0.635 223 A CB -0.284 18.751 19.000 0.059 0.000 0.810 223 A HN 0.450 nan 8.150 nan 0.000 0.445 224 L N -0.657 120.588 121.223 0.037 0.000 2.270 224 L HA 0.143 4.483 4.340 -0.000 0.000 0.210 224 L C 1.951 178.864 176.870 0.071 0.000 1.104 224 L CA 1.203 56.064 54.840 0.035 0.000 0.804 224 L CB -0.332 41.726 42.059 -0.002 0.000 0.937 224 L HN 0.400 nan 8.230 nan 0.000 0.450 225 I N -0.390 120.225 120.570 0.075 0.000 2.185 225 I HA 0.008 4.178 4.170 -0.000 0.000 0.235 225 I C 1.274 177.459 176.117 0.113 0.000 1.069 225 I CA 0.740 62.098 61.300 0.096 0.000 1.354 225 I CB -0.880 37.166 38.000 0.077 0.000 1.093 225 I HN 0.294 nan 8.210 nan 0.000 0.411 226 G N 0.233 109.114 108.800 0.134 0.000 2.354 226 G HA2 0.297 4.256 3.960 -0.000 0.000 0.266 226 G HA3 0.297 4.256 3.960 -0.000 0.000 0.266 226 G C 0.612 175.564 174.900 0.086 0.000 1.242 226 G CA 0.554 45.762 45.100 0.180 0.000 0.923 226 G HN 0.629 nan 8.290 nan 0.000 0.476 227 S N 0.373 116.061 115.700 -0.020 0.000 2.289 227 S HA -0.091 4.379 4.470 -0.000 0.000 0.257 227 S C 1.659 176.234 174.600 -0.041 0.000 1.347 227 S CA 0.820 58.937 58.200 -0.138 0.000 1.191 227 S CB -1.674 61.420 63.200 -0.177 0.000 1.486 227 S HN 2.802 nan 8.310 nan 0.000 0.655 228 G N 0.660 109.487 108.800 0.044 0.000 2.295 228 G HA2 0.119 4.079 3.960 -0.000 0.000 0.287 228 G HA3 0.119 4.079 3.960 -0.000 0.000 0.287 228 G C 1.017 175.993 174.900 0.126 0.000 1.055 228 G CA 0.659 45.816 45.100 0.096 0.000 0.922 228 G HN 2.002 nan 8.290 nan 0.000 0.503 229 G N -1.379 107.522 108.800 0.169 0.000 3.159 229 G HA2 0.538 4.498 3.960 -0.000 0.000 0.232 229 G HA3 0.538 4.498 3.960 -0.000 0.000 0.232 229 G C 0.324 175.480 174.900 0.426 0.000 1.116 229 G CA 1.206 46.445 45.100 0.232 0.000 0.767 229 G HN 1.618 nan 8.290 nan 0.000 0.547 230 S N -0.290 115.647 115.700 0.395 0.000 2.548 230 S HA 0.517 4.986 4.470 -0.000 0.000 0.278 230 S C -2.418 172.223 174.600 0.069 0.000 1.150 230 S CA -0.784 57.562 58.200 0.243 0.000 0.907 230 S CB 2.401 65.709 63.200 0.180 0.000 1.108 230 S HN -0.116 nan 8.310 nan 0.000 0.459 231 P HA 0.240 nan 4.420 nan 0.000 0.221 231 P C 0.064 177.332 177.300 -0.054 0.000 1.155 231 P CA 0.401 63.410 63.100 -0.151 0.000 0.812 231 P CB 0.175 31.659 31.700 -0.361 0.000 0.801 232 L N -2.001 119.185 121.223 -0.062 0.000 2.591 232 L HA 0.741 5.080 4.340 -0.000 0.000 0.257 232 L C -1.266 175.571 176.870 -0.055 0.000 0.935 232 L CA -0.271 54.539 54.840 -0.050 0.000 0.873 232 L CB 1.888 43.905 42.059 -0.069 0.000 1.397 232 L HN 0.102 nan 8.230 nan 0.000 0.414 233 G N 2.703 111.464 108.800 -0.065 0.000 2.559 233 G HA2 0.548 4.508 3.960 -0.000 0.000 0.291 233 G HA3 0.548 4.508 3.960 -0.000 0.000 0.291 233 G C -2.586 172.239 174.900 -0.125 0.000 1.424 233 G CA -0.771 44.265 45.100 -0.108 0.000 0.786 233 G HN 0.447 nan 8.290 nan 0.000 0.485 234 L N 0.963 122.051 121.223 -0.226 0.000 2.295 234 L HA 0.780 5.120 4.340 -0.000 0.000 0.285 234 L C 0.981 177.822 176.870 -0.048 0.000 1.035 234 L CA -0.155 54.519 54.840 -0.276 0.000 0.806 234 L CB 1.134 42.753 42.059 -0.733 0.000 1.214 234 L HN 0.859 nan 8.230 nan 0.000 0.426 235 G N 1.040 109.919 108.800 0.132 0.000 2.820 235 G HA2 0.700 4.660 3.960 -0.000 0.000 0.291 235 G HA3 0.700 4.660 3.960 -0.000 0.000 0.291 235 G C -0.819 174.286 174.900 0.342 0.000 1.323 235 G CA -0.149 45.108 45.100 0.262 0.000 1.055 235 G HN 0.604 nan 8.290 nan 0.000 0.520 236 T N -2.048 112.615 114.554 0.181 0.000 2.908 236 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 236 T C -1.674 173.061 174.700 0.057 0.000 1.034 236 T CA -0.748 61.403 62.100 0.085 0.000 1.010 236 T CB 2.488 71.343 68.868 -0.021 0.000 1.068 236 T HN 0.448 nan 8.240 nan 0.000 0.481 237 D N 1.304 121.726 120.400 0.036 0.000 2.970 237 D HA 0.442 5.082 4.640 -0.000 0.000 0.230 237 D C -0.371 175.929 176.300 -0.000 0.000 1.276 237 D CA -0.615 53.396 54.000 0.019 0.000 0.910 237 D CB 2.099 42.905 40.800 0.010 0.000 1.590 237 D HN 0.655 nan 8.370 nan 0.000 0.551 238 I N 1.632 122.196 120.570 -0.011 0.000 5.080 238 I HA 0.267 4.437 4.170 -0.000 0.000 0.356 238 I C 0.989 177.073 176.117 -0.055 0.000 1.231 238 I CA 0.189 61.467 61.300 -0.036 0.000 1.458 238 I CB 0.906 38.879 38.000 -0.046 0.000 1.672 238 I HN 0.490 nan 8.210 nan 0.000 0.568 239 G N -0.440 108.341 108.800 -0.031 0.000 2.578 239 G HA2 0.374 4.333 3.960 -0.000 0.000 0.184 239 G HA3 0.374 4.333 3.960 -0.000 0.000 0.184 239 G C 0.881 175.786 174.900 0.007 0.000 1.289 239 G CA 0.703 45.783 45.100 -0.034 0.000 0.847 239 G HN 0.381 nan 8.290 nan 0.000 0.880 240 G N -0.019 108.793 108.800 0.020 0.000 4.362 240 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.220 240 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.220 240 G C 0.844 175.731 174.900 -0.022 0.000 0.795 240 G CA 0.762 45.779 45.100 -0.138 0.000 0.920 240 G HN 0.194 nan 8.290 nan 0.000 0.715 241 S N 0.198 115.956 115.700 0.096 0.000 2.603 241 S HA 0.234 4.704 4.470 -0.000 0.000 0.229 241 S C 1.877 176.528 174.600 0.084 0.000 0.972 241 S CA 0.565 58.851 58.200 0.143 0.000 0.935 241 S CB -0.050 63.215 63.200 0.107 0.000 0.769 241 S HN 0.489 nan 8.310 nan 0.000 0.536 242 I N -0.205 120.382 120.570 0.028 0.000 3.445 242 I HA 0.103 4.273 4.170 -0.000 0.000 0.288 242 I C 2.355 178.457 176.117 -0.024 0.000 1.198 242 I CA 0.206 61.519 61.300 0.020 0.000 1.417 242 I CB 0.088 38.102 38.000 0.024 0.000 1.205 242 I HN 0.061 nan 8.210 nan 0.000 0.448 243 R N 0.514 120.942 120.500 -0.119 0.000 2.062 243 R HA -0.110 4.229 4.340 -0.000 0.000 0.231 243 R C 2.224 178.402 176.300 -0.203 0.000 1.136 243 R CA 1.753 57.735 56.100 -0.196 0.000 0.948 243 R CB -0.442 29.672 30.300 -0.310 0.000 0.845 243 R HN 0.076 nan 8.270 nan 0.000 0.430 244 F N 0.556 120.416 119.950 -0.151 0.000 2.048 244 F HA -0.223 4.304 4.527 -0.000 0.000 0.296 244 F C -0.575 175.013 175.800 -0.353 0.000 1.109 244 F CA 1.638 59.396 58.000 -0.402 0.000 1.214 244 F CB -1.902 36.791 39.000 -0.512 0.000 0.963 244 F HN 0.101 nan 8.300 nan 0.000 0.491 245 P HA -0.069 nan 4.420 nan 0.000 0.221 245 P C 1.690 179.084 177.300 0.157 0.000 1.150 245 P CA 1.723 64.887 63.100 0.106 0.000 0.800 245 P CB -0.064 31.693 31.700 0.094 0.000 0.787 246 S N -0.109 115.655 115.700 0.108 0.000 2.355 246 S HA -0.072 4.398 4.470 -0.000 0.000 0.222 246 S C 2.038 176.723 174.600 0.142 0.000 1.031 246 S CA 1.351 59.615 58.200 0.106 0.000 0.993 246 S CB -0.983 62.250 63.200 0.055 0.000 0.859 246 S HN 0.149 nan 8.310 nan 0.000 0.453 247 A N -0.148 122.775 122.820 0.171 0.000 2.168 247 A HA 0.132 4.451 4.320 -0.000 0.000 0.215 247 A C 1.536 179.371 177.584 0.419 0.000 1.152 247 A CA 0.850 53.035 52.037 0.247 0.000 0.716 247 A CB -0.414 18.739 19.000 0.255 0.000 0.794 247 A HN 0.437 nan 8.150 nan 0.000 0.465 248 F N -1.427 118.583 119.950 0.101 0.000 2.343 248 F HA 0.051 4.578 4.527 -0.000 0.000 0.286 248 F C 2.326 178.175 175.800 0.081 0.000 1.057 248 F CA -0.212 57.847 58.000 0.099 0.000 1.365 248 F CB -0.881 38.211 39.000 0.153 0.000 1.114 248 F HN 0.180 nan 8.300 nan 0.000 0.545 249 C N -0.006 119.498 119.300 0.342 0.000 2.522 249 C HA 0.379 4.839 4.460 -0.000 0.000 0.271 249 C C 1.533 176.708 174.990 0.308 0.000 1.425 249 C CA 0.421 59.664 59.018 0.376 0.000 1.751 249 C CB -1.547 26.402 27.740 0.350 0.000 1.775 249 C HN 0.716 nan 8.230 nan 0.000 0.557 250 G N 2.000 110.865 108.800 0.109 0.000 2.392 250 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.290 250 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.290 250 G C -0.377 174.611 174.900 0.145 0.000 1.032 250 G CA 0.596 45.719 45.100 0.039 0.000 1.269 250 G HN 0.771 nan 8.290 nan 0.000 0.511 251 I N -3.234 117.415 120.570 0.131 0.000 3.322 251 I HA 0.817 4.987 4.170 -0.000 0.000 0.313 251 I C 0.327 176.489 176.117 0.075 0.000 1.129 251 I CA -1.705 59.662 61.300 0.111 0.000 0.963 251 I CB 1.620 39.693 38.000 0.122 0.000 1.273 251 I HN 0.112 nan 8.210 nan 0.000 0.473 252 C N 1.227 120.564 119.300 0.060 0.000 2.358 252 C HA 0.911 5.371 4.460 -0.000 0.000 0.342 252 C C 0.506 175.516 174.990 0.033 0.000 1.234 252 C CA -0.082 58.961 59.018 0.041 0.000 1.969 252 C CB 0.314 28.076 27.740 0.036 0.000 2.346 252 C HN 0.976 nan 8.230 nan 0.000 0.525 253 G N 1.896 110.710 108.800 0.023 0.000 2.706 253 G HA2 0.618 4.577 3.960 -0.000 0.000 0.297 253 G HA3 0.618 4.577 3.960 -0.000 0.000 0.297 253 G C -2.040 172.864 174.900 0.007 0.000 1.403 253 G CA -0.311 44.798 45.100 0.015 0.000 0.954 253 G HN 0.566 nan 8.290 nan 0.000 0.500 254 L N 0.755 121.981 121.223 0.005 0.000 2.341 254 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 254 L C -0.173 176.702 176.870 0.009 0.000 1.005 254 L CA -1.035 53.809 54.840 0.006 0.000 0.818 254 L CB 1.821 43.885 42.059 0.008 0.000 1.259 254 L HN 0.458 nan 8.230 nan 0.000 0.418 255 K N 7.437 127.839 120.400 0.003 0.000 2.389 255 K HA 0.503 4.823 4.320 -0.000 0.000 0.261 255 K C -2.621 173.977 176.600 -0.005 0.000 1.014 255 K CA -1.790 54.500 56.287 0.006 0.000 0.920 255 K CB 1.339 33.840 32.500 0.002 0.000 1.149 255 K HN 0.403 nan 8.250 nan 0.000 0.444 256 P HA 0.041 nan 4.420 nan 0.000 0.277 256 P C -0.596 176.651 177.300 -0.089 0.000 1.276 256 P CA -0.278 62.804 63.100 -0.030 0.000 0.788 256 P CB 0.206 31.912 31.700 0.009 0.000 1.114 257 T N -0.303 114.129 114.554 -0.203 0.000 2.946 257 T HA 0.092 4.441 4.350 -0.000 0.000 0.311 257 T C 1.996 176.536 174.700 -0.267 0.000 1.063 257 T CA 0.441 62.322 62.100 -0.365 0.000 1.139 257 T CB -0.301 68.025 68.868 -0.903 0.000 0.994 257 T HN 0.601 nan 8.240 nan 0.000 0.547 258 G N 1.942 110.622 108.800 -0.201 0.000 2.679 258 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.222 258 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.222 258 G C 1.082 175.963 174.900 -0.031 0.000 1.164 258 G CA 0.787 45.836 45.100 -0.085 0.000 0.769 258 G HN 0.798 nan 8.290 nan 0.000 0.610 259 N N -0.338 118.342 118.700 -0.034 0.000 2.321 259 N HA 0.101 4.840 4.740 -0.000 0.000 0.242 259 N C 1.786 177.450 175.510 0.258 0.000 1.141 259 N CA -0.321 52.809 53.050 0.134 0.000 0.864 259 N CB 0.233 38.855 38.487 0.225 0.000 1.100 259 N HN 0.070 nan 8.380 nan 0.000 0.510 260 R N 0.105 120.680 120.500 0.125 0.000 2.092 260 R HA 0.115 4.454 4.340 -0.000 0.000 0.231 260 R C 0.830 177.301 176.300 0.286 0.000 1.119 260 R CA 1.432 57.700 56.100 0.280 0.000 0.970 260 R CB 0.037 30.422 30.300 0.141 0.000 0.864 260 R HN 0.259 nan 8.270 nan 0.000 0.440 261 L N -2.934 118.406 121.223 0.195 0.000 2.777 261 L HA 0.456 4.796 4.340 -0.000 0.000 0.241 261 L C -0.207 176.760 176.870 0.161 0.000 1.854 261 L CA -0.923 54.024 54.840 0.178 0.000 2.070 261 L CB 0.763 42.898 42.059 0.128 0.000 2.441 261 L HN -0.087 nan 8.230 nan 0.000 0.587 262 S N -0.958 114.822 115.700 0.135 0.000 2.614 262 S HA 0.371 4.841 4.470 -0.000 0.000 0.288 262 S C -0.529 174.137 174.600 0.110 0.000 1.137 262 S CA -0.664 57.608 58.200 0.120 0.000 0.992 262 S CB 1.386 64.651 63.200 0.109 0.000 1.026 262 S HN 0.505 nan 8.310 nan 0.000 0.486 263 K N 2.678 123.130 120.400 0.087 0.000 2.493 263 K HA 0.176 4.496 4.320 -0.000 0.000 0.207 263 K C 1.332 177.959 176.600 0.045 0.000 1.033 263 K CA -0.103 56.223 56.287 0.064 0.000 1.161 263 K CB 0.294 32.826 32.500 0.055 0.000 0.873 263 K HN 0.527 nan 8.250 nan 0.000 0.491 264 S N -0.053 115.679 115.700 0.054 0.000 2.453 264 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 264 S C 1.435 176.044 174.600 0.015 0.000 1.005 264 S CA 1.188 59.406 58.200 0.031 0.000 0.949 264 S CB 0.154 63.378 63.200 0.041 0.000 0.774 264 S HN 0.499 nan 8.310 nan 0.000 0.510 265 G N 0.312 109.132 108.800 0.033 0.000 3.695 265 G HA2 0.373 4.333 3.960 -0.000 0.000 0.277 265 G HA3 0.373 4.333 3.960 -0.000 0.000 0.277 265 G C -0.308 174.609 174.900 0.028 0.000 1.001 265 G CA -0.398 44.719 45.100 0.029 0.000 0.837 265 G HN 0.315 nan 8.290 nan 0.000 0.492 266 L N 1.150 122.375 121.223 0.003 0.000 2.455 266 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 266 L C 0.537 177.424 176.870 0.029 0.000 1.174 266 L CA 0.173 54.974 54.840 -0.065 0.000 0.869 266 L CB 0.904 42.897 42.059 -0.111 0.000 1.130 266 L HN -0.082 nan 8.230 nan 0.000 0.474 267 K N 1.933 122.330 120.400 -0.006 0.000 2.316 267 K HA 0.516 4.836 4.320 -0.000 0.000 0.289 267 K C 0.054 176.677 176.600 0.039 0.000 1.070 267 K CA 0.024 56.364 56.287 0.089 0.000 0.928 267 K CB 0.740 33.263 32.500 0.038 0.000 1.039 267 K HN 0.723 nan 8.250 nan 0.000 0.480 268 G N 1.022 109.887 108.800 0.107 0.000 2.537 268 G HA2 0.262 4.222 3.960 -0.000 0.000 0.323 268 G HA3 0.262 4.222 3.960 -0.000 0.000 0.323 268 G C 0.650 175.315 174.900 -0.392 0.000 1.207 268 G CA -0.703 44.308 45.100 -0.148 0.000 0.976 268 G HN 0.892 nan 8.290 nan 0.000 0.487 269 C N -0.936 118.200 119.300 -0.272 0.000 2.674 269 C HA 0.481 4.941 4.460 -0.000 0.000 0.276 269 C C 0.941 175.754 174.990 -0.295 0.000 1.300 269 C CA 0.240 59.111 59.018 -0.245 0.000 1.732 269 C CB -1.126 26.581 27.740 -0.056 0.000 2.076 269 C HN 0.762 nan 8.230 nan 0.000 0.548 270 V N 0.427 120.179 119.914 -0.270 0.000 2.604 270 V HA 0.792 4.912 4.120 -0.000 0.000 0.305 270 V C -1.437 174.473 176.094 -0.307 0.000 1.043 270 V CA -0.718 61.438 62.300 -0.241 0.000 0.888 270 V CB 1.255 33.090 31.823 0.020 0.000 0.995 270 V HN 0.435 nan 8.190 nan 0.000 0.429 271 Y N 3.344 123.677 120.300 0.056 0.000 2.524 271 Y HA 0.877 5.427 4.550 -0.000 0.000 0.344 271 Y C 1.200 177.126 175.900 0.043 0.000 1.012 271 Y CA -0.409 57.715 58.100 0.040 0.000 1.068 271 Y CB 2.299 40.779 38.460 0.032 0.000 1.249 271 Y HN 1.146 nan 8.280 nan 0.000 0.468 272 G N 0.285 109.213 108.800 0.213 0.000 2.176 272 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.232 272 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.232 272 G C -0.024 174.939 174.900 0.106 0.000 0.986 272 G CA -0.460 44.725 45.100 0.141 0.000 0.643 272 G HN 0.560 nan 8.290 nan 0.000 0.522 273 Q N 1.258 121.112 119.800 0.091 0.000 2.271 273 Q HA 0.365 4.705 4.340 -0.000 0.000 0.273 273 Q C 1.247 177.280 176.000 0.054 0.000 1.051 273 Q CA 1.382 57.221 55.803 0.059 0.000 0.901 273 Q CB 0.476 29.231 28.738 0.028 0.000 1.174 273 Q HN 0.585 nan 8.270 nan 0.000 0.385 274 T N -0.551 114.034 114.554 0.052 0.000 3.170 274 T HA 0.466 4.816 4.350 -0.000 0.000 0.288 274 T C 0.117 174.834 174.700 0.028 0.000 0.992 274 T CA -0.144 61.982 62.100 0.043 0.000 0.909 274 T CB 0.592 69.493 68.868 0.055 0.000 1.133 274 T HN 0.460 nan 8.240 nan 0.000 0.530 275 A N 1.621 124.451 122.820 0.017 0.000 2.289 275 A HA 0.702 5.022 4.320 -0.000 0.000 0.298 275 A C 0.333 177.893 177.584 -0.040 0.000 1.208 275 A CA -0.563 51.470 52.037 -0.008 0.000 0.845 275 A CB -0.004 18.991 19.000 -0.008 0.000 1.125 275 A HN 1.100 nan 8.150 nan 0.000 0.517 276 V N 2.338 122.220 119.914 -0.054 0.000 3.480 276 V HA -0.157 3.963 4.120 -0.000 0.000 0.494 276 V C -0.324 175.740 176.094 -0.049 0.000 0.682 276 V CA 0.408 62.666 62.300 -0.071 0.000 2.039 276 V CB -1.300 30.457 31.823 -0.110 0.000 2.474 276 V HN 1.013 nan 8.190 nan 0.000 0.505 277 Q N 2.980 122.755 119.800 -0.042 0.000 2.230 277 Q HA 0.664 5.004 4.340 -0.000 0.000 0.253 277 Q C -0.211 175.775 176.000 -0.023 0.000 0.919 277 Q CA -0.903 54.885 55.803 -0.025 0.000 0.908 277 Q CB 2.194 30.915 28.738 -0.028 0.000 1.245 277 Q HN 0.709 nan 8.270 nan 0.000 0.437 278 L N 1.779 122.997 121.223 -0.008 0.000 2.326 278 L HA 0.345 4.685 4.340 -0.000 0.000 0.278 278 L C -0.794 176.079 176.870 0.006 0.000 1.092 278 L CA 0.318 55.157 54.840 -0.002 0.000 0.810 278 L CB 1.116 43.180 42.059 0.008 0.000 1.153 278 L HN 0.573 nan 8.230 nan 0.000 0.439 279 S N 5.154 120.860 115.700 0.011 0.000 2.538 279 S HA 0.661 5.130 4.470 -0.000 0.000 0.288 279 S C -0.587 174.049 174.600 0.060 0.000 1.108 279 S CA -0.965 57.253 58.200 0.030 0.000 0.971 279 S CB 1.199 64.407 63.200 0.013 0.000 1.041 279 S HN 0.707 nan 8.310 nan 0.000 0.483 280 L N 0.663 121.947 121.223 0.102 0.000 2.436 280 L HA 0.960 5.300 4.340 -0.000 0.000 0.265 280 L C 0.420 177.372 176.870 0.137 0.000 1.168 280 L CA -0.089 54.867 54.840 0.194 0.000 0.815 280 L CB -0.109 42.155 42.059 0.342 0.000 1.109 280 L HN 0.900 nan 8.230 nan 0.000 0.462 281 G N 0.620 109.498 108.800 0.130 0.000 2.523 281 G HA2 0.527 4.486 3.960 -0.000 0.000 0.291 281 G HA3 0.527 4.486 3.960 -0.000 0.000 0.291 281 G C -3.282 171.633 174.900 0.025 0.000 1.450 281 G CA -0.939 44.197 45.100 0.059 0.000 0.790 281 G HN 0.537 nan 8.290 nan 0.000 0.496 282 P HA 0.387 nan 4.420 nan 0.000 0.275 282 P C -0.621 176.670 177.300 -0.014 0.000 1.228 282 P CA 0.003 63.083 63.100 -0.033 0.000 0.786 282 P CB 1.026 32.695 31.700 -0.051 0.000 0.927 283 M N 1.798 121.387 119.600 -0.018 0.000 2.464 283 M HA 0.784 5.263 4.480 -0.000 0.000 0.308 283 M C -0.275 176.025 176.300 0.000 0.000 1.127 283 M CA -0.505 54.797 55.300 0.003 0.000 0.913 283 M CB 2.711 35.323 32.600 0.020 0.000 1.689 283 M HN 0.445 nan 8.290 nan 0.000 0.445 284 A N 1.572 124.404 122.820 0.019 0.000 2.438 284 A HA 0.616 4.935 4.320 -0.000 0.000 0.301 284 A C -0.327 177.289 177.584 0.053 0.000 1.101 284 A CA -0.746 51.309 52.037 0.029 0.000 0.621 284 A CB 1.020 20.025 19.000 0.008 0.000 1.350 284 A HN 0.833 nan 8.150 nan 0.000 0.496 285 R N -0.010 120.529 120.500 0.064 0.000 2.148 285 R HA 0.098 4.438 4.340 -0.000 0.000 0.223 285 R C -0.698 175.643 176.300 0.067 0.000 1.088 285 R CA 1.803 57.952 56.100 0.081 0.000 0.985 285 R CB -0.095 30.262 30.300 0.096 0.000 0.880 285 R HN 0.830 nan 8.270 nan 0.000 0.451 286 D N -2.528 117.904 120.400 0.053 0.000 2.947 286 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 286 D C 0.548 176.876 176.300 0.046 0.000 1.230 286 D CA -0.699 53.332 54.000 0.051 0.000 0.871 286 D CB 1.691 42.525 40.800 0.055 0.000 1.671 286 D HN -0.149 nan 8.370 nan 0.000 0.507 287 V N 0.267 120.213 119.914 0.053 0.000 2.867 287 V HA -0.180 3.939 4.120 -0.000 0.000 0.260 287 V C 1.401 177.529 176.094 0.056 0.000 1.099 287 V CA 1.509 63.841 62.300 0.054 0.000 1.122 287 V CB -0.612 31.256 31.823 0.074 0.000 0.708 287 V HN 0.536 nan 8.190 nan 0.000 0.490 288 E N 1.878 122.132 120.200 0.089 0.000 2.106 288 E HA -0.097 4.252 4.350 -0.000 0.000 0.192 288 E C 2.447 179.053 176.600 0.009 0.000 0.984 288 E CA 1.804 58.266 56.400 0.103 0.000 0.806 288 E CB -0.425 29.347 29.700 0.120 0.000 0.750 288 E HN 0.896 nan 8.360 nan 0.000 0.458 289 S N 0.416 116.115 115.700 -0.002 0.000 2.406 289 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 289 S C 2.038 176.590 174.600 -0.080 0.000 1.020 289 S CA 0.671 58.850 58.200 -0.035 0.000 0.965 289 S CB -0.397 62.794 63.200 -0.015 0.000 0.798 289 S HN 0.150 nan 8.310 nan 0.000 0.488 290 L N 1.695 122.875 121.223 -0.071 0.000 2.012 290 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 290 L C 3.075 179.832 176.870 -0.188 0.000 1.073 290 L CA 1.359 56.142 54.840 -0.095 0.000 0.748 290 L CB -1.063 40.965 42.059 -0.052 0.000 0.891 290 L HN 0.398 nan 8.230 nan 0.000 0.431 291 A N 0.017 122.685 122.820 -0.253 0.000 1.933 291 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 291 A C 2.348 179.535 177.584 -0.662 0.000 1.175 291 A CA 1.519 53.237 52.037 -0.532 0.000 0.628 291 A CB -0.687 17.956 19.000 -0.595 0.000 0.814 291 A HN 0.379 nan 8.150 nan 0.000 0.444 292 L N -1.128 119.888 121.223 -0.346 0.000 2.027 292 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 292 L C 2.752 179.461 176.870 -0.268 0.000 1.074 292 L CA 1.533 56.212 54.840 -0.269 0.000 0.745 292 L CB -0.341 41.641 42.059 -0.129 0.000 0.898 292 L HN 0.595 nan 8.230 nan 0.000 0.433 293 C N -0.252 118.917 119.300 -0.218 0.000 2.413 293 C HA -0.194 4.266 4.460 -0.000 0.000 0.276 293 C C 2.709 177.584 174.990 -0.193 0.000 1.248 293 C CA 0.754 59.668 59.018 -0.173 0.000 1.742 293 C CB -0.802 26.859 27.740 -0.131 0.000 2.017 293 C HN 0.480 nan 8.230 nan 0.000 0.481 294 L N 0.501 121.569 121.223 -0.258 0.000 2.027 294 L HA -0.127 4.212 4.340 -0.000 0.000 0.206 294 L C 2.778 179.497 176.870 -0.251 0.000 1.074 294 L CA 1.786 56.498 54.840 -0.212 0.000 0.745 294 L CB -0.795 41.168 42.059 -0.160 0.000 0.898 294 L HN 0.417 nan 8.230 nan 0.000 0.433 295 K N -0.031 120.035 120.400 -0.557 0.000 2.148 295 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 295 K C 1.815 178.328 176.600 -0.146 0.000 1.050 295 K CA 1.262 57.323 56.287 -0.377 0.000 0.942 295 K CB 0.101 32.251 32.500 -0.583 0.000 0.724 295 K HN 0.321 nan 8.250 nan 0.000 0.446 296 A N 0.707 123.429 122.820 -0.164 0.000 2.067 296 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 296 A C 1.972 179.490 177.584 -0.110 0.000 1.156 296 A CA 0.619 52.591 52.037 -0.109 0.000 0.683 296 A CB -0.111 18.825 19.000 -0.108 0.000 0.808 296 A HN 0.234 nan 8.150 nan 0.000 0.455 297 L N -0.972 120.182 121.223 -0.114 0.000 2.121 297 L HA 0.085 4.425 4.340 -0.000 0.000 0.200 297 L C 0.353 177.125 176.870 -0.163 0.000 1.077 297 L CA -0.018 54.754 54.840 -0.113 0.000 0.766 297 L CB -0.281 41.733 42.059 -0.074 0.000 0.931 297 L HN 0.171 nan 8.230 nan 0.000 0.452 298 L N 2.138 123.323 121.223 -0.064 0.000 2.717 298 L HA -0.048 4.292 4.340 -0.000 0.000 0.281 298 L C -0.032 176.786 176.870 -0.087 0.000 1.329 298 L CA 0.277 55.123 54.840 0.010 0.000 1.202 298 L CB -1.703 40.538 42.059 0.303 0.000 1.425 298 L HN 0.418 nan 8.230 nan 0.000 0.438 299 C N -1.302 117.651 119.300 -0.578 0.000 3.306 299 C HA 0.637 5.096 4.460 -0.000 0.000 0.335 299 C C 1.334 176.096 174.990 -0.381 0.000 1.382 299 C CA -0.308 58.555 59.018 -0.258 0.000 1.254 299 C CB 1.351 29.063 27.740 -0.047 0.000 1.555 299 C HN 0.548 nan 8.230 nan 0.000 0.463 300 E N -0.991 119.197 120.200 -0.019 0.000 2.515 300 E HA -0.060 4.290 4.350 -0.000 0.000 0.201 300 E C 1.275 177.798 176.600 -0.129 0.000 1.071 300 E CA 1.593 58.009 56.400 0.027 0.000 0.880 300 E CB -0.937 28.783 29.700 0.032 0.000 0.828 300 E HN 0.848 nan 8.360 nan 0.000 0.540 301 H N -1.298 117.709 119.070 -0.104 0.000 2.399 301 H HA 0.127 4.683 4.556 -0.000 0.000 0.300 301 H C 2.258 177.518 175.328 -0.112 0.000 1.048 301 H CA 1.130 57.127 56.048 -0.084 0.000 1.370 301 H CB 0.098 29.809 29.762 -0.085 0.000 1.428 301 H HN 0.408 nan 8.280 nan 0.000 0.534 302 L N 0.786 121.928 121.223 -0.134 0.000 2.046 302 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 302 L C 1.541 178.371 176.870 -0.067 0.000 1.077 302 L CA 1.365 56.081 54.840 -0.206 0.000 0.747 302 L CB -0.373 41.403 42.059 -0.472 0.000 0.896 302 L HN 0.003 nan 8.230 nan 0.000 0.432 303 F N -1.486 118.496 119.950 0.054 0.000 2.802 303 F HA 0.044 4.570 4.527 -0.000 0.000 0.300 303 F C 2.115 177.925 175.800 0.018 0.000 1.168 303 F CA 0.651 58.671 58.000 0.034 0.000 1.433 303 F CB -1.224 37.790 39.000 0.024 0.000 1.115 303 F HN 0.029 nan 8.300 nan 0.000 0.582 304 T N -0.754 113.886 114.554 0.143 0.000 3.087 304 T HA 0.263 4.613 4.350 -0.000 0.000 0.237 304 T C 0.748 175.485 174.700 0.062 0.000 0.990 304 T CA 0.091 62.237 62.100 0.078 0.000 1.160 304 T CB -0.046 68.837 68.868 0.025 0.000 0.923 304 T HN -0.142 nan 8.240 nan 0.000 0.442 305 L N 3.346 124.603 121.223 0.056 0.000 2.334 305 L HA 0.413 4.753 4.340 -0.000 0.000 0.286 305 L C -0.574 176.332 176.870 0.059 0.000 1.108 305 L CA -0.208 54.661 54.840 0.048 0.000 0.875 305 L CB -0.275 41.809 42.059 0.041 0.000 1.246 305 L HN 0.196 nan 8.230 nan 0.000 0.439 306 D N 2.318 122.757 120.400 0.064 0.000 3.358 306 D HA -0.077 4.563 4.640 -0.000 0.000 0.249 306 D C -2.072 174.296 176.300 0.113 0.000 1.025 306 D CA -0.190 53.860 54.000 0.082 0.000 0.981 306 D CB 0.083 40.935 40.800 0.087 0.000 0.973 306 D HN 0.264 nan 8.370 nan 0.000 0.421 307 P HA 0.013 nan 4.420 nan 0.000 0.249 307 P C 1.349 178.688 177.300 0.065 0.000 1.241 307 P CA 0.943 64.093 63.100 0.084 0.000 0.781 307 P CB 0.063 31.795 31.700 0.054 0.000 1.088 308 T N -4.111 110.486 114.554 0.072 0.000 2.995 308 T HA 0.005 4.354 4.350 -0.000 0.000 0.269 308 T C 0.807 175.561 174.700 0.090 0.000 1.091 308 T CA 0.276 62.416 62.100 0.067 0.000 1.128 308 T CB -0.914 67.994 68.868 0.066 0.000 0.891 308 T HN -0.155 nan 8.240 nan 0.000 0.492 309 V N 4.754 124.748 119.914 0.133 0.000 2.508 309 V HA 0.286 4.406 4.120 -0.000 0.000 0.281 309 V C -2.084 174.063 176.094 0.089 0.000 1.041 309 V CA -2.140 60.269 62.300 0.182 0.000 1.016 309 V CB 0.401 32.402 31.823 0.297 0.000 0.984 309 V HN 0.337 nan 8.190 nan 0.000 0.478 310 P HA 0.226 nan 4.420 nan 0.000 0.271 310 P C -2.669 174.399 177.300 -0.387 0.000 1.233 310 P CA -1.778 61.205 63.100 -0.195 0.000 0.764 310 P CB 0.214 31.724 31.700 -0.317 0.000 0.825 311 P HA 0.268 nan 4.420 nan 0.000 0.247 311 P C -0.474 176.214 177.300 -1.021 0.000 1.756 311 P CA 0.162 62.333 63.100 -1.548 0.000 1.117 311 P CB 0.028 31.130 31.700 -0.998 0.000 1.869 312 L N 4.904 125.726 121.223 -0.669 0.000 2.335 312 L HA 0.391 4.731 4.340 -0.000 0.000 0.268 312 L C -2.184 174.720 176.870 0.057 0.000 1.037 312 L CA -2.359 52.350 54.840 -0.218 0.000 0.895 312 L CB 1.416 43.404 42.059 -0.118 0.000 1.266 312 L HN 0.058 nan 8.230 nan 0.000 0.439 313 P HA -0.111 nan 4.420 nan 0.000 0.267 313 P C -0.492 176.957 177.300 0.248 0.000 1.201 313 P CA -0.106 63.162 63.100 0.280 0.000 0.775 313 P CB 0.357 32.182 31.700 0.209 0.000 0.854 314 F N 2.993 123.025 119.950 0.137 0.000 2.571 314 F HA 0.023 4.549 4.527 -0.000 0.000 0.384 314 F C 0.954 176.809 175.800 0.092 0.000 1.058 314 F CA 0.257 58.314 58.000 0.095 0.000 1.200 314 F CB 0.141 39.180 39.000 0.065 0.000 1.077 314 F HN 0.120 nan 8.300 nan 0.000 0.558 315 R N 5.438 125.748 120.500 -0.317 0.000 2.391 315 R HA 0.051 4.391 4.340 -0.000 0.000 0.310 315 R C 0.925 177.094 176.300 -0.217 0.000 1.174 315 R CA -0.315 55.681 56.100 -0.174 0.000 1.118 315 R CB 0.725 30.944 30.300 -0.135 0.000 1.134 315 R HN 0.691 nan 8.270 nan 0.000 0.524 316 E N 2.518 122.713 120.200 -0.008 0.000 2.160 316 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 316 E C 1.548 178.185 176.600 0.062 0.000 0.991 316 E CA 1.569 58.040 56.400 0.120 0.000 0.810 316 E CB 0.334 30.156 29.700 0.204 0.000 0.742 316 E HN 0.558 nan 8.360 nan 0.000 0.466 317 E N -0.231 119.980 120.200 0.019 0.000 2.358 317 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 317 E C 1.855 178.450 176.600 -0.009 0.000 1.010 317 E CA 0.982 57.384 56.400 0.005 0.000 0.856 317 E CB -0.043 29.660 29.700 0.004 0.000 0.795 317 E HN 0.246 nan 8.360 nan 0.000 0.504 318 V N 0.421 120.320 119.914 -0.025 0.000 2.535 318 V HA -0.186 3.933 4.120 -0.000 0.000 0.246 318 V C 2.243 178.353 176.094 0.026 0.000 1.045 318 V CA 1.349 63.639 62.300 -0.018 0.000 1.058 318 V CB -0.963 30.831 31.823 -0.048 0.000 0.689 318 V HN 0.165 nan 8.190 nan 0.000 0.461 319 Y N 1.863 122.084 120.300 -0.131 0.000 2.163 319 Y HA -0.068 4.481 4.550 -0.000 0.000 0.288 319 Y C 2.526 178.445 175.900 0.032 0.000 1.136 319 Y CA 1.423 59.489 58.100 -0.056 0.000 1.147 319 Y CB -0.190 38.231 38.460 -0.065 0.000 0.987 319 Y HN 0.023 nan 8.280 nan 0.000 0.509 320 R N 0.606 120.988 120.500 -0.197 0.000 2.339 320 R HA 0.008 4.348 4.340 -0.000 0.000 0.199 320 R C 0.930 177.145 176.300 -0.141 0.000 1.018 320 R CA 0.458 56.412 56.100 -0.243 0.000 1.036 320 R CB -0.795 29.443 30.300 -0.103 0.000 0.899 320 R HN 0.174 nan 8.270 nan 0.000 0.473 321 S N 1.062 116.711 115.700 -0.084 0.000 2.560 321 S HA 0.038 4.508 4.470 -0.000 0.000 0.284 321 S C 0.807 175.394 174.600 -0.022 0.000 1.327 321 S CA -0.128 58.053 58.200 -0.031 0.000 1.055 321 S CB 0.552 63.754 63.200 0.002 0.000 0.868 321 S HN 0.375 nan 8.310 nan 0.000 0.506 322 S N 1.642 117.340 115.700 -0.004 0.000 2.941 322 S HA 0.365 4.835 4.470 -0.000 0.000 0.251 322 S C 0.380 174.993 174.600 0.022 0.000 1.029 322 S CA -0.387 57.822 58.200 0.016 0.000 1.062 322 S CB -0.058 63.138 63.200 -0.008 0.000 0.977 322 S HN 0.956 nan 8.310 nan 0.000 0.552 323 R N 2.732 123.251 120.500 0.031 0.000 2.590 323 R HA 0.531 4.870 4.340 -0.000 0.000 0.274 323 R C -2.636 173.701 176.300 0.063 0.000 1.061 323 R CA -1.429 54.688 56.100 0.029 0.000 1.081 323 R CB -1.497 28.819 30.300 0.027 0.000 0.984 323 R HN 0.441 nan 8.270 nan 0.000 0.448 324 P HA 0.033 nan 4.420 nan 0.000 0.258 324 P C -0.796 176.593 177.300 0.147 0.000 1.214 324 P CA 0.150 63.258 63.100 0.013 0.000 0.872 324 P CB -0.149 31.511 31.700 -0.066 0.000 0.890 325 L N 4.321 125.747 121.223 0.339 0.000 2.367 325 L HA 0.258 4.598 4.340 -0.000 0.000 0.275 325 L C 1.436 178.405 176.870 0.166 0.000 1.129 325 L CA -0.622 54.343 54.840 0.209 0.000 0.839 325 L CB 0.001 42.163 42.059 0.173 0.000 1.133 325 L HN 0.181 nan 8.230 nan 0.000 0.453 326 R N 2.744 123.273 120.500 0.048 0.000 2.538 326 R HA 0.242 4.582 4.340 -0.000 0.000 0.282 326 R C -0.808 175.438 176.300 -0.090 0.000 1.009 326 R CA -0.252 55.839 56.100 -0.016 0.000 1.063 326 R CB 0.214 30.471 30.300 -0.072 0.000 0.945 326 R HN 0.375 nan 8.270 nan 0.000 0.414 327 V N 2.241 122.113 119.914 -0.070 0.000 2.483 327 V HA 0.324 4.443 4.120 -0.000 0.000 0.297 327 V C 0.737 176.782 176.094 -0.081 0.000 1.027 327 V CA -0.907 61.318 62.300 -0.126 0.000 0.855 327 V CB 1.822 33.652 31.823 0.010 0.000 0.995 327 V HN 0.960 nan 8.190 nan 0.000 0.424 328 G N 3.602 112.271 108.800 -0.218 0.000 2.503 328 G HA2 0.533 4.493 3.960 -0.000 0.000 0.257 328 G HA3 0.533 4.493 3.960 -0.000 0.000 0.257 328 G C -0.993 173.987 174.900 0.132 0.000 1.214 328 G CA -0.058 44.992 45.100 -0.083 0.000 0.839 328 G HN 1.066 nan 8.290 nan 0.000 0.559 329 Y N -0.247 120.089 120.300 0.060 0.000 2.592 329 Y HA 0.664 5.214 4.550 -0.000 0.000 0.334 329 Y C -1.404 174.589 175.900 0.155 0.000 1.136 329 Y CA -1.998 56.117 58.100 0.026 0.000 1.042 329 Y CB 1.220 39.685 38.460 0.009 0.000 1.325 329 Y HN 0.852 nan 8.280 nan 0.000 0.457 330 Y N -0.361 119.981 120.300 0.071 0.000 2.581 330 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 330 Y C -0.001 176.023 175.900 0.205 0.000 1.036 330 Y CA -1.289 56.813 58.100 0.003 0.000 1.042 330 Y CB 1.980 40.447 38.460 0.012 0.000 1.289 330 Y HN 0.703 nan 8.280 nan 0.000 0.471 331 E N 0.242 120.668 120.200 0.376 0.000 2.190 331 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 331 E C -0.122 176.728 176.600 0.417 0.000 0.978 331 E CA 1.123 57.719 56.400 0.328 0.000 0.839 331 E CB 0.550 30.406 29.700 0.261 0.000 0.787 331 E HN 0.624 nan 8.360 nan 0.000 0.473 332 T N 0.183 115.039 114.554 0.504 0.000 3.105 332 T HA 0.060 4.409 4.350 -0.000 0.000 0.321 332 T C -0.699 174.168 174.700 0.278 0.000 1.135 332 T CA -0.755 61.636 62.100 0.484 0.000 1.053 332 T CB 1.355 70.440 68.868 0.363 0.000 1.133 332 T HN -0.006 nan 8.240 nan 0.000 0.463 333 D N 3.336 123.844 120.400 0.181 0.000 2.371 333 D HA -0.001 4.639 4.640 -0.000 0.000 0.221 333 D C 0.661 176.836 176.300 -0.208 0.000 0.986 333 D CA 0.333 54.185 54.000 -0.247 0.000 0.899 333 D CB -0.813 39.770 40.800 -0.361 0.000 0.902 333 D HN 0.872 nan 8.370 nan 0.000 0.530 334 N N -2.160 116.432 118.700 -0.180 0.000 2.741 334 N HA -0.296 4.444 4.740 -0.000 0.000 0.250 334 N C -0.436 174.902 175.510 -0.288 0.000 1.115 334 N CA 0.783 53.553 53.050 -0.467 0.000 0.724 334 N CB -1.453 36.779 38.487 -0.424 0.000 1.090 334 N HN 0.405 nan 8.380 nan 0.000 0.558 335 Y N -0.081 120.129 120.300 -0.150 0.000 3.031 335 Y HA 0.220 4.770 4.550 -0.000 0.000 0.193 335 Y C 0.919 177.044 175.900 0.376 0.000 0.940 335 Y CA 0.403 58.582 58.100 0.133 0.000 1.653 335 Y CB 0.348 38.792 38.460 -0.027 0.000 1.333 335 Y HN -0.057 nan 8.280 nan 0.000 0.451 336 T N 3.651 118.405 114.554 0.333 0.000 2.916 336 T HA 0.120 4.469 4.350 -0.000 0.000 0.303 336 T C -0.183 174.846 174.700 0.549 0.000 1.025 336 T CA -0.080 62.253 62.100 0.389 0.000 1.142 336 T CB 0.425 69.512 68.868 0.365 0.000 0.947 336 T HN 0.230 nan 8.240 nan 0.000 0.544 337 M N 3.850 123.717 119.600 0.446 0.000 2.211 337 M HA 0.252 4.732 4.480 -0.000 0.000 0.356 337 M C -2.213 174.337 176.300 0.417 0.000 1.216 337 M CA -2.110 53.336 55.300 0.243 0.000 1.134 337 M CB 0.995 33.294 32.600 -0.501 0.000 1.564 337 M HN 0.310 nan 8.290 nan 0.000 0.463 338 P HA 0.133 nan 4.420 nan 0.000 0.275 338 P C -1.091 176.396 177.300 0.311 0.000 1.228 338 P CA -0.369 62.921 63.100 0.317 0.000 0.786 338 P CB 0.512 32.359 31.700 0.245 0.000 0.927 339 S N 4.156 120.009 115.700 0.255 0.000 2.566 339 S HA 0.045 4.514 4.470 -0.000 0.000 0.280 339 S C -1.252 173.430 174.600 0.136 0.000 1.343 339 S CA -0.703 57.609 58.200 0.187 0.000 1.036 339 S CB -0.702 62.545 63.200 0.078 0.000 0.866 339 S HN 0.449 nan 8.310 nan 0.000 0.526 340 P HA -0.200 nan 4.420 nan 0.000 0.216 340 P C 1.247 178.572 177.300 0.042 0.000 1.150 340 P CA 1.769 64.911 63.100 0.070 0.000 0.843 340 P CB -0.244 31.490 31.700 0.057 0.000 0.787 341 A N -1.674 121.163 122.820 0.027 0.000 2.125 341 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 341 A C 2.279 179.866 177.584 0.004 0.000 1.156 341 A CA 1.363 53.402 52.037 0.002 0.000 0.671 341 A CB -1.067 17.921 19.000 -0.020 0.000 0.794 341 A HN 0.179 nan 8.150 nan 0.000 0.459 342 M N -2.657 116.958 119.600 0.026 0.000 2.858 342 M HA 0.109 4.589 4.480 -0.000 0.000 0.255 342 M C 2.164 178.478 176.300 0.025 0.000 1.336 342 M CA 0.731 56.041 55.300 0.017 0.000 1.220 342 M CB 0.174 32.796 32.600 0.035 0.000 1.252 342 M HN 0.408 nan 8.290 nan 0.000 0.538 343 R N 0.890 121.426 120.500 0.060 0.000 2.136 343 R HA -0.245 4.094 4.340 -0.000 0.000 0.242 343 R C 2.137 178.463 176.300 0.045 0.000 1.131 343 R CA 2.546 58.689 56.100 0.072 0.000 0.937 343 R CB -0.560 29.791 30.300 0.084 0.000 0.863 343 R HN 0.243 nan 8.270 nan 0.000 0.435 344 R N -0.393 120.125 120.500 0.030 0.000 2.091 344 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 344 R C 1.923 178.222 176.300 -0.000 0.000 1.136 344 R CA 1.641 57.750 56.100 0.014 0.000 0.959 344 R CB -0.454 29.851 30.300 0.008 0.000 0.856 344 R HN 0.404 nan 8.270 nan 0.000 0.437 345 A N 1.183 123.999 122.820 -0.006 0.000 2.216 345 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 345 A C 1.843 179.416 177.584 -0.019 0.000 1.160 345 A CA 0.762 52.788 52.037 -0.020 0.000 0.725 345 A CB -0.261 18.723 19.000 -0.026 0.000 0.784 345 A HN 0.433 nan 8.150 nan 0.000 0.472 346 L N -1.574 119.646 121.223 -0.004 0.000 2.453 346 L HA 0.301 4.641 4.340 -0.000 0.000 0.190 346 L C 1.977 178.843 176.870 -0.007 0.000 1.093 346 L CA 1.085 55.926 54.840 0.002 0.000 0.834 346 L CB -0.621 41.457 42.059 0.032 0.000 1.090 346 L HN 0.336 nan 8.230 nan 0.000 0.489 347 I N 0.544 121.121 120.570 0.011 0.000 2.614 347 I HA -0.260 3.910 4.170 -0.000 0.000 0.258 347 I C 2.173 178.274 176.117 -0.028 0.000 1.189 347 I CA 0.776 62.074 61.300 -0.005 0.000 1.462 347 I CB 0.288 38.308 38.000 0.034 0.000 1.092 347 I HN 0.441 nan 8.210 nan 0.000 0.442 348 E N 0.087 120.273 120.200 -0.023 0.000 2.001 348 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 348 E C 1.990 178.561 176.600 -0.048 0.000 1.002 348 E CA 2.304 58.685 56.400 -0.032 0.000 0.819 348 E CB -0.132 29.552 29.700 -0.027 0.000 0.769 348 E HN 0.500 nan 8.360 nan 0.000 0.454 349 T N -0.577 113.946 114.554 -0.052 0.000 3.077 349 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 349 T C 1.616 176.267 174.700 -0.082 0.000 1.146 349 T CA 1.048 63.107 62.100 -0.068 0.000 1.091 349 T CB -0.075 68.750 68.868 -0.071 0.000 0.892 349 T HN 0.048 nan 8.240 nan 0.000 0.533 350 K N 0.803 121.138 120.400 -0.108 0.000 2.026 350 K HA -0.178 4.141 4.320 -0.000 0.000 0.208 350 K C 2.416 178.931 176.600 -0.142 0.000 1.048 350 K CA 1.573 57.743 56.287 -0.196 0.000 0.929 350 K CB -0.169 32.156 32.500 -0.292 0.000 0.713 350 K HN 0.449 nan 8.250 nan 0.000 0.439 351 Q N -0.295 119.448 119.800 -0.095 0.000 2.062 351 Q HA -0.007 4.333 4.340 -0.000 0.000 0.196 351 Q C 2.198 178.176 176.000 -0.036 0.000 0.967 351 Q CA 1.083 56.849 55.803 -0.061 0.000 0.832 351 Q CB 0.127 28.838 28.738 -0.045 0.000 0.899 351 Q HN 0.197 nan 8.270 nan 0.000 0.442 352 R N 0.354 120.832 120.500 -0.036 0.000 2.115 352 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 352 R C 2.224 178.528 176.300 0.007 0.000 1.111 352 R CA 0.843 56.931 56.100 -0.021 0.000 0.976 352 R CB -0.541 29.738 30.300 -0.034 0.000 0.870 352 R HN 0.316 nan 8.270 nan 0.000 0.445 353 L N 0.641 121.868 121.223 0.006 0.000 2.046 353 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 353 L C 2.346 179.327 176.870 0.185 0.000 1.077 353 L CA 1.413 56.310 54.840 0.096 0.000 0.747 353 L CB -0.311 41.745 42.059 -0.005 0.000 0.896 353 L HN 0.182 nan 8.230 nan 0.000 0.432 354 E N -0.364 119.876 120.200 0.066 0.000 2.106 354 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 354 E C 2.210 178.822 176.600 0.019 0.000 0.984 354 E CA 1.055 57.480 56.400 0.041 0.000 0.806 354 E CB -0.019 29.678 29.700 -0.005 0.000 0.750 354 E HN 0.476 nan 8.360 nan 0.000 0.458 355 A N 0.816 123.643 122.820 0.011 0.000 1.898 355 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 355 A C 2.109 179.686 177.584 -0.011 0.000 1.181 355 A CA 1.402 53.437 52.037 -0.003 0.000 0.620 355 A CB -0.344 18.652 19.000 -0.007 0.000 0.819 355 A HN 0.262 nan 8.150 nan 0.000 0.442 356 A N -1.698 121.123 122.820 0.002 0.000 2.359 356 A HA 0.460 4.780 4.320 -0.000 0.000 0.240 356 A C 1.516 179.012 177.584 -0.146 0.000 1.306 356 A CA 1.096 53.113 52.037 -0.033 0.000 0.898 356 A CB -1.115 17.891 19.000 0.009 0.000 0.956 356 A HN 1.797 nan 8.150 nan 0.000 0.497 357 G N -1.076 107.653 108.800 -0.119 0.000 2.424 357 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.207 357 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.207 357 G C 0.160 174.977 174.900 -0.137 0.000 1.061 357 G CA -0.002 44.996 45.100 -0.169 0.000 0.657 357 G HN 0.704 nan 8.290 nan 0.000 0.508 358 H N 1.948 121.023 119.070 0.008 0.000 3.001 358 H HA 0.437 4.993 4.556 -0.000 0.000 0.334 358 H C 1.079 176.415 175.328 0.014 0.000 1.034 358 H CA 1.292 57.353 56.048 0.023 0.000 1.420 358 H CB 0.815 30.610 29.762 0.056 0.000 1.405 358 H HN 0.382 nan 8.280 nan 0.000 0.593 359 T N 3.285 117.918 114.554 0.132 0.000 2.780 359 T HA 0.266 4.616 4.350 -0.000 0.000 0.294 359 T C -0.305 174.443 174.700 0.080 0.000 0.949 359 T CA -1.031 61.115 62.100 0.075 0.000 1.074 359 T CB 0.235 69.129 68.868 0.043 0.000 0.910 359 T HN 0.286 nan 8.240 nan 0.000 0.501 360 L N 5.623 126.890 121.223 0.074 0.000 2.276 360 L HA 0.497 4.837 4.340 -0.000 0.000 0.286 360 L C -0.451 176.557 176.870 0.229 0.000 1.024 360 L CA -0.647 54.254 54.840 0.103 0.000 0.826 360 L CB 1.053 43.077 42.059 -0.058 0.000 1.211 360 L HN 0.763 nan 8.230 nan 0.000 0.422 361 I N 5.766 126.487 120.570 0.252 0.000 2.354 361 I HA 0.330 4.500 4.170 -0.000 0.000 0.292 361 I C -2.112 174.113 176.117 0.178 0.000 0.989 361 I CA -2.014 59.405 61.300 0.197 0.000 1.188 361 I CB 1.413 39.446 38.000 0.055 0.000 1.342 361 I HN 0.345 nan 8.210 nan 0.000 0.457 362 P HA 0.077 nan 4.420 nan 0.000 0.264 362 P C -1.013 176.254 177.300 -0.054 0.000 1.229 362 P CA 0.341 63.227 63.100 -0.358 0.000 0.780 362 P CB -0.057 31.508 31.700 -0.225 0.000 0.808 363 F N 5.338 125.168 119.950 -0.201 0.000 2.573 363 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 363 F C -1.705 174.139 175.800 0.073 0.000 1.148 363 F CA -1.143 56.817 58.000 -0.067 0.000 0.940 363 F CB 1.391 40.336 39.000 -0.092 0.000 1.214 363 F HN 0.095 nan 8.300 nan 0.000 0.448 364 L N 8.483 129.337 121.223 -0.616 0.000 2.406 364 L HA 0.720 5.059 4.340 -0.000 0.000 0.272 364 L C -2.643 173.765 176.870 -0.771 0.000 0.980 364 L CA -1.816 52.708 54.840 -0.527 0.000 0.831 364 L CB 1.791 43.590 42.059 -0.434 0.000 1.253 364 L HN 0.400 nan 8.230 nan 0.000 0.406 365 P HA 0.060 nan 4.420 nan 0.000 0.266 365 P C -1.190 175.981 177.300 -0.215 0.000 1.193 365 P CA 0.058 62.985 63.100 -0.288 0.000 0.770 365 P CB 0.228 31.924 31.700 -0.007 0.000 0.836 366 N N 1.074 119.691 118.700 -0.138 0.000 2.371 366 N HA -0.016 4.724 4.740 -0.000 0.000 0.243 366 N C -0.490 175.089 175.510 0.115 0.000 1.287 366 N CA -0.566 52.455 53.050 -0.049 0.000 0.911 366 N CB -0.659 37.802 38.487 -0.042 0.000 1.142 366 N HN 0.260 nan 8.380 nan 0.000 0.451 367 N N -0.943 117.798 118.700 0.067 0.000 2.702 367 N HA -0.220 4.520 4.740 -0.000 0.000 0.261 367 N C 0.070 175.633 175.510 0.089 0.000 0.965 367 N CA 0.512 53.616 53.050 0.090 0.000 0.795 367 N CB -0.987 37.524 38.487 0.039 0.000 0.909 367 N HN 0.497 nan 8.380 nan 0.000 0.546 368 I N -0.340 120.221 120.570 -0.014 0.000 2.252 368 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 368 I C -0.514 175.459 176.117 -0.240 0.000 1.102 368 I CA 0.989 62.208 61.300 -0.135 0.000 1.385 368 I CB -0.996 36.886 38.000 -0.196 0.000 1.064 368 I HN 0.240 nan 8.210 nan 0.000 0.414 369 P HA -0.212 nan 4.420 nan 0.000 0.216 369 P C 1.684 178.906 177.300 -0.128 0.000 1.153 369 P CA 1.338 64.352 63.100 -0.143 0.000 0.848 369 P CB -0.196 31.584 31.700 0.134 0.000 0.787 370 Y N 1.244 121.439 120.300 -0.175 0.000 2.139 370 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 370 Y C 2.311 178.006 175.900 -0.342 0.000 1.179 370 Y CA 2.078 60.056 58.100 -0.203 0.000 1.161 370 Y CB -1.050 37.312 38.460 -0.163 0.000 0.970 370 Y HN -0.098 nan 8.280 nan 0.000 0.511 371 A N -0.073 122.441 122.820 -0.511 0.000 1.969 371 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 371 A C 2.215 179.462 177.584 -0.562 0.000 1.169 371 A CA 1.768 53.345 52.037 -0.767 0.000 0.635 371 A CB -0.890 17.606 19.000 -0.840 0.000 0.810 371 A HN 0.574 nan 8.150 nan 0.000 0.445 372 L N -1.457 119.476 121.223 -0.484 0.000 2.102 372 L HA -0.036 4.304 4.340 -0.000 0.000 0.202 372 L C 2.468 179.157 176.870 -0.302 0.000 1.076 372 L CA 1.211 55.788 54.840 -0.439 0.000 0.761 372 L CB -0.410 41.251 42.059 -0.663 0.000 0.921 372 L HN 0.361 nan 8.230 nan 0.000 0.444 373 E N -0.646 119.400 120.200 -0.257 0.000 2.170 373 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 373 E C 2.003 178.522 176.600 -0.134 0.000 0.981 373 E CA 1.153 57.489 56.400 -0.106 0.000 0.830 373 E CB 0.367 30.052 29.700 -0.025 0.000 0.775 373 E HN 0.349 nan 8.360 nan 0.000 0.470 374 V N -0.595 119.146 119.914 -0.289 0.000 3.151 374 V HA 0.048 4.168 4.120 -0.000 0.000 0.241 374 V C 1.620 177.503 176.094 -0.352 0.000 1.173 374 V CA 0.343 62.460 62.300 -0.305 0.000 1.154 374 V CB 0.001 31.642 31.823 -0.303 0.000 0.898 374 V HN 0.123 nan 8.190 nan 0.000 0.473 375 L N 0.718 121.637 121.223 -0.506 0.000 2.034 375 L HA 0.055 4.395 4.340 -0.000 0.000 0.203 375 L C 2.773 179.474 176.870 -0.281 0.000 1.074 375 L CA 1.767 56.364 54.840 -0.406 0.000 0.748 375 L CB -1.140 40.607 42.059 -0.520 0.000 0.905 375 L HN 0.311 nan 8.230 nan 0.000 0.439 376 S N 0.723 116.244 115.700 -0.298 0.000 2.338 376 S HA -0.106 4.364 4.470 -0.000 0.000 0.218 376 S C 2.168 176.648 174.600 -0.200 0.000 1.032 376 S CA 1.226 59.282 58.200 -0.240 0.000 0.999 376 S CB -0.484 62.561 63.200 -0.258 0.000 0.905 376 S HN 0.437 nan 8.310 nan 0.000 0.439 377 A N 1.336 124.064 122.820 -0.153 0.000 2.014 377 A HA 0.249 4.569 4.320 -0.000 0.000 0.218 377 A C 2.238 179.802 177.584 -0.032 0.000 1.163 377 A CA 1.381 53.380 52.037 -0.065 0.000 0.652 377 A CB -1.158 17.909 19.000 0.112 0.000 0.808 377 A HN 0.515 nan 8.150 nan 0.000 0.449 378 G N -0.429 108.336 108.800 -0.060 0.000 2.403 378 G HA2 0.107 4.067 3.960 -0.000 0.000 0.216 378 G HA3 0.107 4.067 3.960 -0.000 0.000 0.216 378 G C 1.485 176.357 174.900 -0.046 0.000 1.154 378 G CA 1.069 46.148 45.100 -0.035 0.000 0.784 378 G HN 0.623 nan 8.290 nan 0.000 0.538 379 G N 0.667 109.410 108.800 -0.095 0.000 2.422 379 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.218 379 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.218 379 G C 1.666 176.497 174.900 -0.115 0.000 1.146 379 G CA 0.460 45.507 45.100 -0.090 0.000 0.769 379 G HN 0.342 nan 8.290 nan 0.000 0.547 380 L N -0.894 120.202 121.223 -0.211 0.000 2.131 380 L HA 0.192 4.532 4.340 -0.000 0.000 0.206 380 L C 0.892 177.517 176.870 -0.409 0.000 1.087 380 L CA 1.056 55.656 54.840 -0.400 0.000 0.767 380 L CB -0.248 41.418 42.059 -0.656 0.000 0.917 380 L HN 0.168 nan 8.230 nan 0.000 0.441 381 F N -0.893 119.021 119.950 -0.060 0.000 2.831 381 F HA 0.226 4.753 4.527 -0.000 0.000 0.355 381 F C 1.761 177.533 175.800 -0.046 0.000 1.341 381 F CA -0.531 57.432 58.000 -0.062 0.000 1.201 381 F CB -0.282 38.666 39.000 -0.087 0.000 1.058 381 F HN -0.141 nan 8.300 nan 0.000 0.514 382 S N -0.254 115.514 115.700 0.112 0.000 2.383 382 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 382 S C 1.811 176.449 174.600 0.063 0.000 1.030 382 S CA 1.688 59.927 58.200 0.065 0.000 1.002 382 S CB -0.202 63.020 63.200 0.037 0.000 0.829 382 S HN 0.644 nan 8.310 nan 0.000 0.467 383 D N 0.740 121.191 120.400 0.085 0.000 2.349 383 D HA 0.116 4.756 4.640 -0.000 0.000 0.224 383 D C 1.290 177.622 176.300 0.053 0.000 1.029 383 D CA 0.785 54.825 54.000 0.067 0.000 0.879 383 D CB -0.456 40.392 40.800 0.080 0.000 0.906 383 D HN 0.467 nan 8.370 nan 0.000 0.528 384 G N 0.033 108.861 108.800 0.047 0.000 2.159 384 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.256 384 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.256 384 G C 1.153 176.017 174.900 -0.060 0.000 0.977 384 G CA 0.434 45.519 45.100 -0.025 0.000 0.652 384 G HN 1.363 nan 8.290 nan 0.000 0.531 385 G N -2.039 106.788 108.800 0.044 0.000 2.141 385 G HA2 0.112 4.072 3.960 -0.000 0.000 0.242 385 G HA3 0.112 4.072 3.960 -0.000 0.000 0.242 385 G C 1.253 176.243 174.900 0.149 0.000 0.982 385 G CA 1.607 46.765 45.100 0.097 0.000 0.662 385 G HN 1.968 nan 8.290 nan 0.000 0.527 386 R N 0.335 120.895 120.500 0.100 0.000 2.075 386 R HA 0.276 4.616 4.340 -0.000 0.000 0.232 386 R C 2.751 179.120 176.300 0.115 0.000 1.126 386 R CA 2.559 58.709 56.100 0.083 0.000 0.963 386 R CB -1.302 29.028 30.300 0.051 0.000 0.858 386 R HN 0.763 nan 8.270 nan 0.000 0.435 387 S N -0.050 115.735 115.700 0.141 0.000 2.359 387 S HA -0.091 4.378 4.470 -0.000 0.000 0.224 387 S C 1.759 176.483 174.600 0.206 0.000 1.035 387 S CA 1.344 59.631 58.200 0.145 0.000 1.018 387 S CB -0.462 62.819 63.200 0.135 0.000 0.876 387 S HN 0.564 nan 8.310 nan 0.000 0.448 388 F N 2.153 122.168 119.950 0.108 0.000 2.069 388 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 388 F C 1.898 177.849 175.800 0.252 0.000 1.113 388 F CA 1.330 59.434 58.000 0.175 0.000 1.214 388 F CB -0.623 38.510 39.000 0.222 0.000 0.978 388 F HN 0.108 nan 8.300 nan 0.000 0.474 389 L N -0.511 120.818 121.223 0.176 0.000 2.201 389 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 389 L C 2.360 179.296 176.870 0.110 0.000 1.105 389 L CA 1.095 55.994 54.840 0.098 0.000 0.775 389 L CB -0.646 41.435 42.059 0.037 0.000 0.913 389 L HN 0.190 nan 8.230 nan 0.000 0.440 390 Q N 0.396 120.237 119.800 0.068 0.000 2.291 390 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 390 Q C 1.444 177.433 176.000 -0.020 0.000 0.976 390 Q CA 1.316 57.137 55.803 0.029 0.000 0.875 390 Q CB -0.027 28.729 28.738 0.030 0.000 0.927 390 Q HN 0.475 nan 8.270 nan 0.000 0.450 391 N N -1.310 117.345 118.700 -0.076 0.000 2.521 391 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 391 N C -0.276 174.960 175.510 -0.456 0.000 1.146 391 N CA 0.500 53.392 53.050 -0.263 0.000 0.893 391 N CB 0.224 38.485 38.487 -0.376 0.000 0.975 391 N HN 0.189 nan 8.380 nan 0.000 0.451 392 F N 0.115 119.967 119.950 -0.165 0.000 2.688 392 F HA 0.296 4.823 4.527 -0.000 0.000 0.310 392 F C 0.577 176.311 175.800 -0.109 0.000 1.098 392 F CA -0.489 57.421 58.000 -0.149 0.000 1.228 392 F CB 0.437 39.322 39.000 -0.191 0.000 1.042 392 F HN -0.265 nan 8.300 nan 0.000 0.557 393 K N 0.273 120.688 120.400 0.025 0.000 2.349 393 K HA 0.411 4.731 4.320 -0.000 0.000 0.288 393 K C 1.084 177.660 176.600 -0.040 0.000 1.058 393 K CA 0.957 57.239 56.287 -0.007 0.000 0.953 393 K CB 0.339 32.831 32.500 -0.014 0.000 0.997 393 K HN 0.331 nan 8.250 nan 0.000 0.477 394 G N 3.088 111.851 108.800 -0.061 0.000 2.317 394 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.227 394 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.227 394 G C -0.044 174.756 174.900 -0.165 0.000 1.042 394 G CA -0.129 44.909 45.100 -0.103 0.000 0.623 394 G HN 0.636 nan 8.290 nan 0.000 0.509 395 D N 0.815 121.162 120.400 -0.088 0.000 2.302 395 D HA 0.504 5.143 4.640 -0.000 0.000 0.248 395 D C 0.743 177.010 176.300 -0.054 0.000 1.094 395 D CA -0.376 53.602 54.000 -0.037 0.000 0.897 395 D CB 0.287 41.098 40.800 0.017 0.000 1.200 395 D HN 0.090 nan 8.370 nan 0.000 0.429 396 F N 0.859 120.834 119.950 0.043 0.000 2.595 396 F HA 0.025 4.552 4.527 -0.000 0.000 0.359 396 F C 0.990 176.856 175.800 0.110 0.000 1.147 396 F CA -0.079 57.953 58.000 0.053 0.000 1.341 396 F CB 0.359 39.374 39.000 0.025 0.000 1.104 396 F HN -0.095 nan 8.300 nan 0.000 0.603 397 V N 4.089 124.169 119.914 0.276 0.000 2.350 397 V HA 0.254 4.374 4.120 -0.000 0.000 0.285 397 V C -0.509 175.685 176.094 0.167 0.000 1.014 397 V CA -0.673 61.751 62.300 0.207 0.000 0.831 397 V CB 1.092 32.957 31.823 0.070 0.000 1.000 397 V HN 0.767 nan 8.190 nan 0.000 0.433 398 D N 8.492 128.993 120.400 0.167 0.000 2.351 398 D HA 0.281 4.921 4.640 -0.000 0.000 0.251 398 D C -1.513 174.836 176.300 0.082 0.000 1.137 398 D CA -1.399 52.670 54.000 0.114 0.000 0.879 398 D CB 2.368 43.235 40.800 0.111 0.000 1.181 398 D HN 0.457 nan 8.370 nan 0.000 0.448 399 P HA -0.129 nan 4.420 nan 0.000 0.226 399 P C 1.709 179.024 177.300 0.024 0.000 1.146 399 P CA 0.349 63.471 63.100 0.037 0.000 0.773 399 P CB -0.063 31.652 31.700 0.025 0.000 0.772 400 C N -0.297 119.020 119.300 0.027 0.000 2.375 400 C HA -0.175 4.285 4.460 -0.000 0.000 0.274 400 C C 2.467 177.472 174.990 0.025 0.000 1.190 400 C CA 0.943 59.970 59.018 0.016 0.000 1.775 400 C CB -1.835 25.927 27.740 0.037 0.000 2.067 400 C HN 0.090 nan 8.230 nan 0.000 0.463 401 L N 0.650 121.913 121.223 0.066 0.000 2.492 401 L HA 0.272 4.612 4.340 -0.000 0.000 0.223 401 L C 1.938 178.851 176.870 0.072 0.000 1.132 401 L CA 1.711 56.605 54.840 0.091 0.000 0.850 401 L CB -1.168 40.967 42.059 0.127 0.000 0.966 401 L HN 0.714 nan 8.230 nan 0.000 0.454 402 G N -0.326 108.505 108.800 0.051 0.000 2.595 402 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.297 402 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.297 402 G C 0.651 175.586 174.900 0.057 0.000 1.181 402 G CA 0.372 45.505 45.100 0.053 0.000 0.963 402 G HN 0.255 nan 8.290 nan 0.000 0.541 403 D N 0.451 120.902 120.400 0.085 0.000 2.535 403 D HA 0.271 4.911 4.640 -0.000 0.000 0.229 403 D C 2.038 178.387 176.300 0.081 0.000 1.238 403 D CA -0.378 53.665 54.000 0.072 0.000 0.824 403 D CB 0.701 41.552 40.800 0.085 0.000 1.045 403 D HN 0.155 nan 8.370 nan 0.000 0.500 404 L N 1.137 122.425 121.223 0.109 0.000 2.017 404 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 404 L C 1.923 178.793 176.870 -0.000 0.000 1.073 404 L CA 1.394 56.303 54.840 0.114 0.000 0.745 404 L CB -0.471 41.710 42.059 0.204 0.000 0.894 404 L HN 0.021 nan 8.230 nan 0.000 0.432 405 I N -0.867 119.661 120.570 -0.070 0.000 2.179 405 I HA -0.251 3.918 4.170 -0.000 0.000 0.242 405 I C 2.505 178.521 176.117 -0.168 0.000 1.088 405 I CA 1.144 62.308 61.300 -0.228 0.000 1.357 405 I CB -1.308 36.443 38.000 -0.415 0.000 1.051 405 I HN 0.292 nan 8.210 nan 0.000 0.409 406 L N 0.882 122.043 121.223 -0.103 0.000 2.017 406 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 406 L C 2.353 179.175 176.870 -0.081 0.000 1.073 406 L CA 1.883 56.676 54.840 -0.079 0.000 0.745 406 L CB -0.640 41.394 42.059 -0.041 0.000 0.894 406 L HN 0.115 nan 8.230 nan 0.000 0.432 407 I N -0.859 119.667 120.570 -0.073 0.000 2.315 407 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 407 I C 2.369 178.377 176.117 -0.181 0.000 1.117 407 I CA 1.229 62.468 61.300 -0.102 0.000 1.404 407 I CB -0.288 37.661 38.000 -0.085 0.000 1.071 407 I HN 0.286 nan 8.210 nan 0.000 0.419 408 L N 0.105 121.195 121.223 -0.220 0.000 2.131 408 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 408 L C 2.500 179.270 176.870 -0.167 0.000 1.092 408 L CA 1.246 55.934 54.840 -0.253 0.000 0.759 408 L CB -0.487 41.417 42.059 -0.258 0.000 0.903 408 L HN 0.114 nan 8.230 nan 0.000 0.435 409 R N -0.273 120.144 120.500 -0.140 0.000 2.280 409 R HA 0.063 4.402 4.340 -0.000 0.000 0.207 409 R C 0.307 176.539 176.300 -0.112 0.000 1.043 409 R CA 0.130 56.162 56.100 -0.114 0.000 1.006 409 R CB -0.159 30.075 30.300 -0.111 0.000 0.885 409 R HN 0.247 nan 8.270 nan 0.000 0.467 410 L N 2.604 123.755 121.223 -0.121 0.000 2.426 410 L HA 0.195 4.535 4.340 -0.000 0.000 0.271 410 L C -1.782 174.995 176.870 -0.154 0.000 1.169 410 L CA -2.038 52.720 54.840 -0.137 0.000 0.836 410 L CB -0.131 41.898 42.059 -0.050 0.000 1.112 410 L HN -0.081 nan 8.230 nan 0.000 0.465 411 P HA 0.051 nan 4.420 nan 0.000 0.270 411 P C 0.071 177.229 177.300 -0.238 0.000 1.223 411 P CA -0.265 62.725 63.100 -0.183 0.000 0.785 411 P CB 0.750 32.337 31.700 -0.188 0.000 0.923 412 S N 0.717 116.365 115.700 -0.087 0.000 2.453 412 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 412 S C 1.681 176.273 174.600 -0.012 0.000 1.005 412 S CA 0.537 58.706 58.200 -0.051 0.000 0.949 412 S CB -0.653 62.552 63.200 0.009 0.000 0.774 412 S HN 0.715 nan 8.310 nan 0.000 0.510 413 W N 0.520 121.851 121.300 0.052 0.000 2.436 413 W HA 0.033 4.693 4.660 -0.000 0.000 0.284 413 W C 1.619 178.198 176.519 0.100 0.000 1.225 413 W CA 0.178 57.559 57.345 0.060 0.000 1.271 413 W CB -0.964 28.531 29.460 0.059 0.000 1.114 413 W HN 0.283 nan 8.180 nan 0.000 0.559 414 F N 2.435 121.788 119.950 -0.995 0.000 2.270 414 F HA 0.068 4.594 4.527 -0.000 0.000 0.295 414 F C 2.528 178.067 175.800 -0.436 0.000 1.087 414 F CA 1.639 59.058 58.000 -0.970 0.000 1.365 414 F CB -0.394 37.758 39.000 -1.413 0.000 1.056 414 F HN -0.313 nan 8.300 nan 0.000 0.506 415 K N 0.435 120.667 120.400 -0.281 0.000 2.020 415 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 415 K C 2.535 179.014 176.600 -0.201 0.000 1.050 415 K CA 2.472 58.617 56.287 -0.237 0.000 0.929 415 K CB -0.459 31.935 32.500 -0.176 0.000 0.714 415 K HN 0.213 nan 8.250 nan 0.000 0.443 416 R N 0.680 121.107 120.500 -0.121 0.000 2.096 416 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 416 R C 2.204 178.457 176.300 -0.079 0.000 1.127 416 R CA 1.824 57.887 56.100 -0.062 0.000 0.968 416 R CB -1.397 28.913 30.300 0.016 0.000 0.861 416 R HN 0.293 nan 8.270 nan 0.000 0.440 417 L N 0.097 121.259 121.223 -0.103 0.000 2.005 417 L HA 0.054 4.393 4.340 -0.000 0.000 0.207 417 L C 2.576 179.313 176.870 -0.222 0.000 1.072 417 L CA 1.436 56.214 54.840 -0.104 0.000 0.744 417 L CB -0.156 41.900 42.059 -0.005 0.000 0.895 417 L HN 0.384 nan 8.230 nan 0.000 0.433 418 L N -1.287 119.685 121.223 -0.417 0.000 2.083 418 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 418 L C 2.729 179.468 176.870 -0.219 0.000 1.083 418 L CA 1.444 56.057 54.840 -0.379 0.000 0.752 418 L CB -0.769 40.980 42.059 -0.517 0.000 0.899 418 L HN 0.375 nan 8.230 nan 0.000 0.433 419 S N 0.699 116.288 115.700 -0.185 0.000 2.359 419 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 419 S C 1.839 176.387 174.600 -0.087 0.000 1.038 419 S CA 1.757 59.889 58.200 -0.114 0.000 1.051 419 S CB -0.278 62.867 63.200 -0.091 0.000 0.944 419 S HN 0.483 nan 8.310 nan 0.000 0.433 420 L N -0.489 120.686 121.223 -0.079 0.000 2.552 420 L HA 0.248 4.588 4.340 -0.000 0.000 0.227 420 L C 2.049 178.877 176.870 -0.070 0.000 1.146 420 L CA 1.049 55.854 54.840 -0.059 0.000 0.858 420 L CB -0.725 41.312 42.059 -0.036 0.000 0.969 420 L HN 0.321 nan 8.230 nan 0.000 0.451 421 L N -0.346 120.819 121.223 -0.095 0.000 2.270 421 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 421 L C 2.301 179.095 176.870 -0.126 0.000 1.104 421 L CA 0.253 55.031 54.840 -0.104 0.000 0.804 421 L CB 0.065 42.054 42.059 -0.117 0.000 0.937 421 L HN 0.227 nan 8.230 nan 0.000 0.450 422 L N 0.128 121.276 121.223 -0.125 0.000 2.240 422 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 422 L C 2.962 179.758 176.870 -0.123 0.000 1.106 422 L CA 1.822 56.581 54.840 -0.136 0.000 0.793 422 L CB -1.538 40.471 42.059 -0.083 0.000 0.927 422 L HN 0.156 nan 8.230 nan 0.000 0.446 423 K N 1.123 121.474 120.400 -0.082 0.000 2.077 423 K HA -0.192 4.128 4.320 -0.000 0.000 0.213 423 K C 0.018 176.584 176.600 -0.057 0.000 1.051 423 K CA 2.173 58.429 56.287 -0.052 0.000 0.929 423 K CB -2.677 29.804 32.500 -0.033 0.000 0.715 423 K HN 0.488 nan 8.250 nan 0.000 0.451 424 P HA -0.031 nan 4.420 nan 0.000 0.226 424 P C 0.675 177.892 177.300 -0.138 0.000 1.153 424 P CA 0.683 63.731 63.100 -0.087 0.000 0.777 424 P CB 0.242 31.889 31.700 -0.089 0.000 0.794 425 L N -1.355 119.725 121.223 -0.237 0.000 2.630 425 L HA 0.261 4.601 4.340 -0.000 0.000 0.180 425 L C 1.098 177.729 176.870 -0.397 0.000 1.221 425 L CA 0.923 55.484 54.840 -0.466 0.000 0.853 425 L CB -1.508 40.067 42.059 -0.805 0.000 1.172 425 L HN -0.157 nan 8.230 nan 0.000 0.508 426 F N 1.579 121.498 119.950 -0.052 0.000 2.363 426 F HA 0.350 4.877 4.527 -0.000 0.000 0.366 426 F C -1.527 174.212 175.800 -0.103 0.000 1.083 426 F CA -1.592 56.362 58.000 -0.076 0.000 1.176 426 F CB 0.621 39.542 39.000 -0.132 0.000 1.432 426 F HN 0.056 nan 8.300 nan 0.000 0.482 427 P HA -0.082 nan 4.420 nan 0.000 0.229 427 P C 1.429 178.715 177.300 -0.023 0.000 1.160 427 P CA 0.897 64.008 63.100 0.020 0.000 0.777 427 P CB 0.235 31.966 31.700 0.051 0.000 0.814 428 R N -0.522 119.903 120.500 -0.125 0.000 2.073 428 R HA -0.070 4.269 4.340 -0.000 0.000 0.234 428 R C 2.118 178.337 176.300 -0.135 0.000 1.134 428 R CA 1.091 57.065 56.100 -0.210 0.000 0.952 428 R CB -0.929 29.059 30.300 -0.519 0.000 0.850 428 R HN 0.187 nan 8.270 nan 0.000 0.433 429 L N 0.365 121.451 121.223 -0.229 0.000 2.093 429 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 429 L C 2.530 179.390 176.870 -0.017 0.000 1.085 429 L CA 1.595 56.307 54.840 -0.214 0.000 0.755 429 L CB -1.561 40.344 42.059 -0.257 0.000 0.904 429 L HN 0.147 nan 8.230 nan 0.000 0.435 430 A N 0.041 122.847 122.820 -0.023 0.000 1.884 430 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 430 A C 2.516 180.111 177.584 0.019 0.000 1.197 430 A CA 2.456 54.483 52.037 -0.017 0.000 0.637 430 A CB -0.914 18.072 19.000 -0.023 0.000 0.827 430 A HN 0.406 nan 8.150 nan 0.000 0.450 431 A N -1.687 121.165 122.820 0.054 0.000 1.933 431 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 431 A C 2.138 179.825 177.584 0.171 0.000 1.175 431 A CA 1.470 53.560 52.037 0.090 0.000 0.628 431 A CB -0.726 18.331 19.000 0.095 0.000 0.814 431 A HN 0.699 nan 8.150 nan 0.000 0.444 432 F N 0.478 120.457 119.950 0.048 0.000 2.095 432 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 432 F C 1.971 177.814 175.800 0.072 0.000 1.104 432 F CA 1.577 59.651 58.000 0.123 0.000 1.232 432 F CB -0.065 39.060 39.000 0.210 0.000 0.987 432 F HN 0.163 nan 8.300 nan 0.000 0.475 433 L N 0.083 121.274 121.223 -0.054 0.000 2.027 433 L HA -0.268 4.072 4.340 -0.000 0.000 0.206 433 L C 2.355 179.150 176.870 -0.126 0.000 1.074 433 L CA 1.397 56.122 54.840 -0.192 0.000 0.745 433 L CB -1.077 40.889 42.059 -0.153 0.000 0.898 433 L HN 0.271 nan 8.230 nan 0.000 0.433 434 N N 0.089 118.759 118.700 -0.050 0.000 2.258 434 N HA -0.225 4.515 4.740 -0.000 0.000 0.187 434 N C 1.980 177.479 175.510 -0.017 0.000 1.012 434 N CA 1.726 54.758 53.050 -0.029 0.000 0.870 434 N CB 0.125 38.611 38.487 -0.003 0.000 0.977 434 N HN 0.337 nan 8.380 nan 0.000 0.434 435 S N -0.396 115.307 115.700 0.005 0.000 2.489 435 S HA 0.046 4.516 4.470 -0.000 0.000 0.228 435 S C 1.805 176.424 174.600 0.032 0.000 0.995 435 S CA 0.159 58.382 58.200 0.038 0.000 0.934 435 S CB -0.014 63.257 63.200 0.118 0.000 0.771 435 S HN 0.286 nan 8.310 nan 0.000 0.522 436 M N 1.506 121.061 119.600 -0.076 0.000 2.556 436 M HA 0.215 4.694 4.480 -0.000 0.000 0.245 436 M C 0.962 177.194 176.300 -0.113 0.000 1.128 436 M CA -0.059 55.145 55.300 -0.159 0.000 1.069 436 M CB 0.135 32.504 32.600 -0.385 0.000 1.469 436 M HN 0.213 nan 8.290 nan 0.000 0.494 437 R N 3.442 123.898 120.500 -0.073 0.000 2.522 437 R HA 0.080 4.420 4.340 -0.000 0.000 0.284 437 R C -2.805 173.482 176.300 -0.021 0.000 1.032 437 R CA -0.883 55.188 56.100 -0.047 0.000 1.049 437 R CB -0.213 30.068 30.300 -0.032 0.000 0.956 437 R HN -0.042 nan 8.270 nan 0.000 0.422 438 P HA 0.272 nan 4.420 nan 0.000 0.281 438 P C -0.781 176.517 177.300 -0.003 0.000 1.286 438 P CA -0.227 62.872 63.100 -0.003 0.000 0.772 438 P CB 0.688 32.386 31.700 -0.003 0.000 0.862 439 R N 1.422 121.921 120.500 -0.001 0.000 2.541 439 R HA 0.521 4.861 4.340 -0.000 0.000 0.263 439 R C 0.943 177.226 176.300 -0.030 0.000 1.112 439 R CA -0.554 55.538 56.100 -0.013 0.000 1.170 439 R CB 0.416 30.709 30.300 -0.010 0.000 1.167 439 R HN 0.504 nan 8.270 nan 0.000 0.582 440 S N -0.327 115.341 115.700 -0.053 0.000 2.693 440 S HA 0.365 4.835 4.470 -0.000 0.000 0.276 440 S C 0.900 175.413 174.600 -0.146 0.000 1.192 440 S CA -0.402 57.743 58.200 -0.091 0.000 0.994 440 S CB 1.698 64.838 63.200 -0.099 0.000 1.012 440 S HN 0.668 nan 8.310 nan 0.000 0.550 441 A N -0.174 122.512 122.820 -0.224 0.000 2.121 441 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 441 A C 2.007 179.156 177.584 -0.724 0.000 1.154 441 A CA 1.196 52.990 52.037 -0.406 0.000 0.679 441 A CB -0.860 17.892 19.000 -0.413 0.000 0.795 441 A HN 0.952 nan 8.150 nan 0.000 0.458 442 E N -0.133 119.766 120.200 -0.501 0.000 2.072 442 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 442 E C 1.673 178.177 176.600 -0.159 0.000 0.985 442 E CA 1.274 57.443 56.400 -0.386 0.000 0.801 442 E CB -0.004 29.568 29.700 -0.213 0.000 0.750 442 E HN 0.468 nan 8.360 nan 0.000 0.452 443 K N 0.323 120.658 120.400 -0.109 0.000 2.305 443 K HA 0.101 4.420 4.320 -0.000 0.000 0.199 443 K C 1.922 178.538 176.600 0.026 0.000 1.047 443 K CA 0.055 56.331 56.287 -0.018 0.000 0.976 443 K CB 0.042 32.531 32.500 -0.018 0.000 0.765 443 K HN 0.107 nan 8.250 nan 0.000 0.474 444 L N -0.430 120.793 121.223 -0.001 0.000 2.156 444 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 444 L C 1.252 178.265 176.870 0.238 0.000 1.095 444 L CA 1.020 55.906 54.840 0.078 0.000 0.770 444 L CB -0.151 41.939 42.059 0.051 0.000 0.914 444 L HN 0.376 nan 8.230 nan 0.000 0.439 445 W N 0.576 121.895 121.300 0.031 0.000 2.381 445 W HA -0.167 4.493 4.660 -0.000 0.000 0.301 445 W C 2.840 179.395 176.519 0.060 0.000 1.205 445 W CA 1.639 59.008 57.345 0.040 0.000 1.285 445 W CB -1.176 28.299 29.460 0.025 0.000 1.133 445 W HN 0.085 nan 8.180 nan 0.000 0.521 446 K N 0.414 120.976 120.400 0.270 0.000 2.280 446 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 446 K C 1.862 178.563 176.600 0.168 0.000 1.047 446 K CA 1.589 57.991 56.287 0.192 0.000 0.942 446 K CB -0.893 31.686 32.500 0.131 0.000 0.739 446 K HN 0.312 nan 8.250 nan 0.000 0.457 447 L N 0.089 121.397 121.223 0.141 0.000 2.034 447 L HA -0.063 4.276 4.340 -0.000 0.000 0.203 447 L C 2.769 179.695 176.870 0.093 0.000 1.074 447 L CA 1.389 56.280 54.840 0.085 0.000 0.748 447 L CB -0.068 42.019 42.059 0.046 0.000 0.905 447 L HN 0.452 nan 8.230 nan 0.000 0.439 448 Q N -1.450 118.427 119.800 0.128 0.000 2.308 448 Q HA -0.300 4.040 4.340 -0.000 0.000 0.209 448 Q C 1.871 177.944 176.000 0.121 0.000 0.985 448 Q CA 1.775 57.644 55.803 0.110 0.000 0.881 448 Q CB -0.172 28.641 28.738 0.125 0.000 0.917 448 Q HN 0.578 nan 8.270 nan 0.000 0.443 449 H N 0.274 119.385 119.070 0.069 0.000 2.329 449 H HA 0.020 4.575 4.556 -0.000 0.000 0.306 449 H C 1.578 176.953 175.328 0.078 0.000 1.062 449 H CA 1.366 57.451 56.048 0.062 0.000 1.364 449 H CB 0.299 30.100 29.762 0.066 0.000 1.409 449 H HN 0.168 nan 8.280 nan 0.000 0.519 450 E N -0.040 120.219 120.200 0.100 0.000 2.171 450 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 450 E C 2.059 178.691 176.600 0.053 0.000 0.997 450 E CA 1.358 57.810 56.400 0.086 0.000 0.810 450 E CB 0.015 29.786 29.700 0.118 0.000 0.738 450 E HN 0.556 nan 8.360 nan 0.000 0.467 451 I N 0.914 121.490 120.570 0.011 0.000 2.235 451 I HA -0.221 3.949 4.170 -0.000 0.000 0.241 451 I C 2.700 178.835 176.117 0.029 0.000 1.085 451 I CA 1.145 62.450 61.300 0.009 0.000 1.378 451 I CB -0.526 37.460 38.000 -0.024 0.000 1.076 451 I HN 0.159 nan 8.210 nan 0.000 0.415 452 E N 1.260 121.448 120.200 -0.019 0.000 2.268 452 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 452 E C 2.075 178.637 176.600 -0.063 0.000 0.995 452 E CA 1.112 57.493 56.400 -0.032 0.000 0.836 452 E CB -0.068 29.618 29.700 -0.024 0.000 0.763 452 E HN 0.464 nan 8.360 nan 0.000 0.491 453 M N -0.200 119.330 119.600 -0.117 0.000 2.428 453 M HA 0.065 4.545 4.480 -0.000 0.000 0.239 453 M C 0.990 177.298 176.300 0.013 0.000 1.121 453 M CA 0.148 55.380 55.300 -0.113 0.000 1.019 453 M CB 0.287 32.726 32.600 -0.268 0.000 1.485 453 M HN 0.211 nan 8.290 nan 0.000 0.484 454 Y N 0.019 120.286 120.300 -0.055 0.000 2.314 454 Y HA 0.002 4.552 4.550 -0.000 0.000 0.294 454 Y C 2.274 178.138 175.900 -0.060 0.000 1.139 454 Y CA 1.201 59.288 58.100 -0.021 0.000 1.162 454 Y CB -0.093 38.382 38.460 0.024 0.000 1.121 454 Y HN 0.060 nan 8.280 nan 0.000 0.529 455 R N 0.291 120.743 120.500 -0.080 0.000 2.227 455 R HA -0.322 4.018 4.340 -0.000 0.000 0.246 455 R C 2.180 178.419 176.300 -0.101 0.000 1.119 455 R CA 2.732 58.743 56.100 -0.149 0.000 0.930 455 R CB -0.491 29.778 30.300 -0.051 0.000 0.912 455 R HN 0.382 nan 8.270 nan 0.000 0.435 456 Q N -0.500 119.271 119.800 -0.048 0.000 2.364 456 Q HA -0.104 4.236 4.340 -0.000 0.000 0.209 456 Q C 2.037 178.023 176.000 -0.024 0.000 0.977 456 Q CA 1.656 57.451 55.803 -0.014 0.000 0.885 456 Q CB 0.134 28.865 28.738 -0.011 0.000 0.941 456 Q HN 0.459 nan 8.270 nan 0.000 0.464 457 S N -1.003 114.644 115.700 -0.088 0.000 2.470 457 S HA 0.004 4.473 4.470 -0.000 0.000 0.222 457 S C 1.867 176.410 174.600 -0.095 0.000 1.024 457 S CA 0.275 58.420 58.200 -0.090 0.000 0.931 457 S CB 0.246 63.381 63.200 -0.109 0.000 0.791 457 S HN 0.107 nan 8.310 nan 0.000 0.513 458 V N 1.604 121.405 119.914 -0.189 0.000 2.719 458 V HA 0.085 4.205 4.120 -0.000 0.000 0.252 458 V C 2.214 178.468 176.094 0.267 0.000 1.065 458 V CA 1.156 63.448 62.300 -0.015 0.000 1.086 458 V CB -0.506 31.172 31.823 -0.243 0.000 0.700 458 V HN 0.489 nan 8.190 nan 0.000 0.467 459 I N 0.335 121.020 120.570 0.190 0.000 2.179 459 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 459 I C 2.638 178.861 176.117 0.177 0.000 1.088 459 I CA 1.533 62.947 61.300 0.190 0.000 1.357 459 I CB -0.451 37.613 38.000 0.107 0.000 1.051 459 I HN 0.303 nan 8.210 nan 0.000 0.409 460 A N -0.193 122.701 122.820 0.125 0.000 1.851 460 A HA -0.315 4.004 4.320 -0.000 0.000 0.216 460 A C 2.275 179.952 177.584 0.155 0.000 1.195 460 A CA 1.874 53.977 52.037 0.110 0.000 0.622 460 A CB -0.860 18.181 19.000 0.069 0.000 0.831 460 A HN 0.459 nan 8.150 nan 0.000 0.444 461 Q N -1.696 118.231 119.800 0.211 0.000 2.112 461 Q HA -0.227 4.113 4.340 -0.000 0.000 0.206 461 Q C 2.047 178.197 176.000 0.251 0.000 0.987 461 Q CA 1.729 57.730 55.803 0.330 0.000 0.858 461 Q CB -0.245 28.773 28.738 0.466 0.000 0.905 461 Q HN 0.904 nan 8.270 nan 0.000 0.420 462 W N 1.301 122.585 121.300 -0.027 0.000 2.355 462 W HA -0.196 4.464 4.660 -0.000 0.000 0.309 462 W C 1.457 177.829 176.519 -0.245 0.000 1.206 462 W CA 1.204 58.349 57.345 -0.333 0.000 1.284 462 W CB -0.017 29.359 29.460 -0.140 0.000 1.145 462 W HN 0.034 nan 8.180 nan 0.000 0.502 463 K N 0.155 120.689 120.400 0.224 0.000 2.217 463 K HA -0.046 4.273 4.320 -0.000 0.000 0.202 463 K C 2.084 178.701 176.600 0.028 0.000 1.051 463 K CA 1.209 57.575 56.287 0.131 0.000 0.952 463 K CB -0.666 31.910 32.500 0.126 0.000 0.736 463 K HN 0.152 nan 8.250 nan 0.000 0.453 464 A N 0.566 123.405 122.820 0.031 0.000 2.016 464 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 464 A C 2.017 179.597 177.584 -0.008 0.000 1.162 464 A CA 0.908 52.961 52.037 0.026 0.000 0.662 464 A CB -0.173 18.863 19.000 0.061 0.000 0.812 464 A HN 0.170 nan 8.150 nan 0.000 0.450 465 M N -1.463 118.097 119.600 -0.067 0.000 2.556 465 M HA 0.152 4.631 4.480 -0.000 0.000 0.245 465 M C 0.198 176.393 176.300 -0.175 0.000 1.128 465 M CA 0.130 55.363 55.300 -0.112 0.000 1.069 465 M CB -0.091 32.421 32.600 -0.148 0.000 1.469 465 M HN 0.476 nan 8.290 nan 0.000 0.494 466 N N 1.213 119.807 118.700 -0.176 0.000 2.696 466 N HA -0.156 4.584 4.740 -0.000 0.000 0.256 466 N C -1.106 174.251 175.510 -0.256 0.000 1.031 466 N CA 0.124 53.083 53.050 -0.151 0.000 0.730 466 N CB -0.750 37.695 38.487 -0.071 0.000 0.894 466 N HN 0.326 nan 8.380 nan 0.000 0.544 467 L N -0.688 120.215 121.223 -0.532 0.000 2.479 467 L HA 0.260 4.600 4.340 -0.000 0.000 0.248 467 L C 1.013 177.687 176.870 -0.327 0.000 1.205 467 L CA -0.223 54.204 54.840 -0.688 0.000 0.817 467 L CB 0.398 41.505 42.059 -1.586 0.000 1.162 467 L HN 0.183 nan 8.230 nan 0.000 0.486 468 D N -1.268 118.994 120.400 -0.230 0.000 2.473 468 D HA 0.272 4.912 4.640 -0.000 0.000 0.242 468 D C -0.738 175.641 176.300 0.131 0.000 1.106 468 D CA 0.378 54.389 54.000 0.019 0.000 0.854 468 D CB 1.406 42.191 40.800 -0.024 0.000 1.192 468 D HN 0.097 nan 8.370 nan 0.000 0.503 469 V N 0.835 120.691 119.914 -0.098 0.000 3.108 469 V HA 0.247 4.366 4.120 -0.000 0.000 0.287 469 V C -1.950 173.903 176.094 -0.402 0.000 1.436 469 V CA -0.864 61.323 62.300 -0.187 0.000 1.001 469 V CB 2.627 34.072 31.823 -0.629 0.000 1.141 469 V HN -0.134 nan 8.190 nan 0.000 0.443 470 L N 4.572 125.705 121.223 -0.150 0.000 2.280 470 L HA 0.642 4.982 4.340 -0.000 0.000 0.287 470 L C -0.684 176.102 176.870 -0.139 0.000 1.023 470 L CA -0.284 54.490 54.840 -0.110 0.000 0.819 470 L CB 1.261 43.468 42.059 0.247 0.000 1.212 470 L HN 0.626 nan 8.230 nan 0.000 0.420 471 L N 4.802 125.969 121.223 -0.094 0.000 2.261 471 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 471 L C -0.196 176.585 176.870 -0.149 0.000 1.059 471 L CA 0.626 55.464 54.840 -0.003 0.000 0.816 471 L CB 0.815 42.965 42.059 0.152 0.000 1.191 471 L HN 0.637 nan 8.230 nan 0.000 0.431 472 T N 6.996 121.441 114.554 -0.183 0.000 2.848 472 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 472 T C -2.745 171.858 174.700 -0.162 0.000 0.995 472 T CA -1.141 60.750 62.100 -0.348 0.000 0.970 472 T CB 1.885 70.671 68.868 -0.137 0.000 0.976 472 T HN 0.315 nan 8.240 nan 0.000 0.441 473 P HA 0.258 nan 4.420 nan 0.000 0.271 473 P C -0.703 176.381 177.300 -0.361 0.000 1.220 473 P CA -0.580 62.407 63.100 -0.189 0.000 0.768 473 P CB 0.487 32.104 31.700 -0.139 0.000 0.848 474 M N 4.479 123.932 119.600 -0.246 0.000 2.367 474 M HA 0.255 4.734 4.480 -0.000 0.000 0.339 474 M C -0.489 175.697 176.300 -0.190 0.000 1.177 474 M CA -1.105 54.070 55.300 -0.208 0.000 1.068 474 M CB 0.654 33.207 32.600 -0.079 0.000 1.602 474 M HN 0.171 nan 8.290 nan 0.000 0.457 475 L N 5.276 126.460 121.223 -0.066 0.000 2.700 475 L HA 0.121 4.461 4.340 -0.000 0.000 0.272 475 L C 0.533 177.567 176.870 0.274 0.000 1.176 475 L CA 0.789 55.740 54.840 0.185 0.000 0.961 475 L CB -0.975 41.374 42.059 0.484 0.000 1.249 475 L HN 1.034 nan 8.230 nan 0.000 0.487 476 G N 7.131 116.019 108.800 0.147 0.000 2.679 476 G HA2 0.208 4.167 3.960 -0.000 0.000 0.202 476 G HA3 0.208 4.167 3.960 -0.000 0.000 0.202 476 G C -2.437 172.452 174.900 -0.019 0.000 1.566 476 G CA -0.512 44.629 45.100 0.067 0.000 1.074 476 G HN 0.628 nan 8.290 nan 0.000 0.564 477 P HA 0.229 nan 4.420 nan 0.000 0.265 477 P C -0.086 176.916 177.300 -0.496 0.000 1.193 477 P CA 0.050 62.995 63.100 -0.258 0.000 0.765 477 P CB 0.451 32.046 31.700 -0.175 0.000 0.823 478 A N 4.315 126.669 122.820 -0.776 0.000 2.583 478 A HA 0.002 4.322 4.320 -0.000 0.000 0.249 478 A C 0.480 177.720 177.584 -0.574 0.000 1.035 478 A CA 0.137 51.444 52.037 -1.216 0.000 0.777 478 A CB -0.915 17.671 19.000 -0.691 0.000 0.942 478 A HN 0.487 nan 8.150 nan 0.000 0.516 479 L N 2.694 123.651 121.223 -0.444 0.000 2.476 479 L HA 0.097 4.437 4.340 -0.000 0.000 0.264 479 L C 1.476 178.280 176.870 -0.109 0.000 1.224 479 L CA 0.345 55.093 54.840 -0.153 0.000 0.821 479 L CB 0.141 42.185 42.059 -0.025 0.000 1.101 479 L HN 0.800 nan 8.230 nan 0.000 0.488 480 D N -0.342 120.009 120.400 -0.083 0.000 1.409 480 D HA -0.127 4.513 4.640 -0.000 0.000 0.332 480 D C 1.075 177.347 176.300 -0.046 0.000 1.243 480 D CA 0.882 54.846 54.000 -0.061 0.000 1.026 480 D CB 0.134 40.903 40.800 -0.052 0.000 1.894 480 D HN 0.218 nan 8.370 nan 0.000 0.621 481 L N -0.102 121.096 121.223 -0.042 0.000 2.670 481 L HA 0.169 4.509 4.340 -0.000 0.000 0.177 481 L C 0.993 177.832 176.870 -0.051 0.000 1.181 481 L CA 0.783 55.602 54.840 -0.036 0.000 0.856 481 L CB -0.944 41.103 42.059 -0.021 0.000 1.205 481 L HN 0.043 nan 8.230 nan 0.000 0.506 482 N N -0.114 118.557 118.700 -0.047 0.000 2.389 482 N HA 0.047 4.786 4.740 -0.000 0.000 0.237 482 N C 0.916 176.382 175.510 -0.074 0.000 1.148 482 N CA 0.723 53.742 53.050 -0.052 0.000 0.854 482 N CB 0.249 38.721 38.487 -0.025 0.000 1.115 482 N HN 0.531 nan 8.380 nan 0.000 0.492 483 T N -3.740 110.747 114.554 -0.111 0.000 3.023 483 T HA 0.172 4.522 4.350 -0.000 0.000 0.249 483 T C -1.007 173.567 174.700 -0.210 0.000 1.050 483 T CA 0.024 62.054 62.100 -0.117 0.000 1.088 483 T CB -0.588 68.228 68.868 -0.087 0.000 0.946 483 T HN -0.059 nan 8.240 nan 0.000 0.480 484 P HA 0.051 nan 4.420 nan 0.000 0.223 484 P C 1.831 178.882 177.300 -0.414 0.000 1.144 484 P CA 1.134 63.724 63.100 -0.851 0.000 0.783 484 P CB -0.584 30.202 31.700 -1.524 0.000 0.771 485 G N 0.971 109.645 108.800 -0.211 0.000 2.480 485 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 485 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 485 G C 1.100 176.005 174.900 0.009 0.000 1.200 485 G CA 0.319 45.388 45.100 -0.052 0.000 0.782 485 G HN 0.277 nan 8.290 nan 0.000 0.554 486 R N 0.677 121.186 120.500 0.014 0.000 3.081 486 R HA 0.500 4.840 4.340 -0.000 0.000 0.280 486 R C 0.108 176.487 176.300 0.133 0.000 1.372 486 R CA 0.535 56.708 56.100 0.122 0.000 1.242 486 R CB 0.033 30.394 30.300 0.102 0.000 1.316 486 R HN 0.309 nan 8.270 nan 0.000 0.585 487 A N -0.160 122.591 122.820 -0.115 0.000 3.189 487 A HA 0.117 4.436 4.320 -0.000 0.000 0.213 487 A C 0.822 178.133 177.584 -0.455 0.000 1.205 487 A CA -0.554 51.276 52.037 -0.346 0.000 1.238 487 A CB -0.218 18.771 19.000 -0.019 0.000 1.268 487 A HN 0.098 nan 8.150 nan 0.000 0.785 488 T N 0.062 114.129 114.554 -0.811 0.000 2.649 488 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 488 T C 1.897 176.021 174.700 -0.958 0.000 1.036 488 T CA 2.570 64.179 62.100 -0.819 0.000 1.157 488 T CB -0.150 68.122 68.868 -0.994 0.000 0.861 488 T HN 1.035 nan 8.240 nan 0.000 0.445 489 G N 0.161 108.029 108.800 -1.552 0.000 2.882 489 G HA2 0.231 4.190 3.960 -0.000 0.000 0.206 489 G HA3 0.231 4.190 3.960 -0.000 0.000 0.206 489 G C 1.224 176.010 174.900 -0.189 0.000 1.155 489 G CA 0.519 45.196 45.100 -0.704 0.000 0.800 489 G HN 0.606 nan 8.290 nan 0.000 0.524 490 A N 0.692 123.401 122.820 -0.186 0.000 2.251 490 A HA 0.313 4.633 4.320 -0.000 0.000 0.209 490 A C 1.830 179.403 177.584 -0.019 0.000 1.187 490 A CA 0.313 52.365 52.037 0.025 0.000 0.823 490 A CB -0.288 18.801 19.000 0.148 0.000 0.846 490 A HN 0.717 nan 8.150 nan 0.000 0.486 491 I N -2.211 118.260 120.570 -0.165 0.000 3.855 491 I HA 0.093 4.263 4.170 -0.000 0.000 0.327 491 I C 1.614 177.710 176.117 -0.036 0.000 1.359 491 I CA 0.714 61.984 61.300 -0.050 0.000 1.142 491 I CB -0.165 37.732 38.000 -0.173 0.000 1.041 491 I HN 0.174 nan 8.210 nan 0.000 0.403 492 S N 1.231 116.906 115.700 -0.040 0.000 2.353 492 S HA -0.258 4.211 4.470 -0.000 0.000 0.222 492 S C 1.856 176.356 174.600 -0.167 0.000 1.035 492 S CA 1.241 59.340 58.200 -0.168 0.000 1.025 492 S CB -1.073 62.042 63.200 -0.141 0.000 0.902 492 S HN 0.604 nan 8.310 nan 0.000 0.440 493 Y N 3.000 123.345 120.300 0.076 0.000 2.102 493 Y HA -0.168 4.382 4.550 -0.000 0.000 0.280 493 Y C 3.373 179.342 175.900 0.115 0.000 1.178 493 Y CA 1.675 59.863 58.100 0.146 0.000 1.146 493 Y CB -1.327 37.237 38.460 0.174 0.000 0.968 493 Y HN 0.638 nan 8.280 nan 0.000 0.504 494 T N -4.088 110.545 114.554 0.132 0.000 3.057 494 T HA 0.044 4.394 4.350 -0.000 0.000 0.254 494 T C 1.745 176.436 174.700 -0.015 0.000 1.094 494 T CA 0.739 62.843 62.100 0.006 0.000 1.088 494 T CB -0.355 68.296 68.868 -0.362 0.000 0.934 494 T HN 0.169 nan 8.240 nan 0.000 0.497 495 V N 0.815 120.684 119.914 -0.075 0.000 2.992 495 V HA 0.276 4.396 4.120 -0.000 0.000 0.250 495 V C 2.122 178.107 176.094 -0.182 0.000 1.090 495 V CA 0.694 62.921 62.300 -0.121 0.000 1.101 495 V CB 0.064 31.800 31.823 -0.146 0.000 0.743 495 V HN 0.523 nan 8.190 nan 0.000 0.468 496 L N -0.092 120.966 121.223 -0.276 0.000 2.131 496 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 496 L C 2.063 178.651 176.870 -0.469 0.000 1.092 496 L CA 2.333 56.922 54.840 -0.418 0.000 0.759 496 L CB -0.770 40.968 42.059 -0.536 0.000 0.903 496 L HN 0.446 nan 8.230 nan 0.000 0.435 497 Y N -0.524 119.760 120.300 -0.027 0.000 2.475 497 Y HA 0.031 4.581 4.550 -0.000 0.000 0.289 497 Y C 2.433 178.313 175.900 -0.033 0.000 1.121 497 Y CA 0.686 58.782 58.100 -0.007 0.000 1.257 497 Y CB -0.788 37.719 38.460 0.078 0.000 1.026 497 Y HN 0.312 nan 8.280 nan 0.000 0.555 498 N N -0.779 117.937 118.700 0.027 0.000 2.216 498 N HA -0.179 4.561 4.740 -0.000 0.000 0.183 498 N C 1.994 177.462 175.510 -0.069 0.000 1.017 498 N CA 1.437 54.474 53.050 -0.023 0.000 0.861 498 N CB -0.512 37.946 38.487 -0.048 0.000 0.986 498 N HN 0.403 nan 8.380 nan 0.000 0.428 499 C N 0.964 120.192 119.300 -0.120 0.000 2.475 499 C HA 0.147 4.607 4.460 -0.000 0.000 0.279 499 C C 2.597 177.514 174.990 -0.121 0.000 1.322 499 C CA -0.018 58.919 59.018 -0.136 0.000 1.734 499 C CB -1.160 26.464 27.740 -0.193 0.000 2.005 499 C HN 0.328 nan 8.230 nan 0.000 0.495 500 L N 0.596 121.709 121.223 -0.183 0.000 2.362 500 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 500 L C 1.114 177.890 176.870 -0.156 0.000 1.134 500 L CA 1.464 56.110 54.840 -0.323 0.000 0.807 500 L CB -0.631 40.967 42.059 -0.768 0.000 0.927 500 L HN 0.364 nan 8.230 nan 0.000 0.447 501 D N 0.019 120.391 120.400 -0.047 0.000 2.702 501 D HA -0.270 4.370 4.640 -0.000 0.000 0.233 501 D C -0.277 176.122 176.300 0.165 0.000 1.164 501 D CA 0.653 54.662 54.000 0.015 0.000 0.638 501 D CB -1.127 39.648 40.800 -0.041 0.000 1.041 501 D HN 0.174 nan 8.370 nan 0.000 0.422 502 F N -0.073 119.859 119.950 -0.029 0.000 2.411 502 F HA 0.296 4.823 4.527 -0.000 0.000 0.355 502 F C -1.322 174.441 175.800 -0.062 0.000 1.117 502 F CA -2.611 55.357 58.000 -0.054 0.000 1.139 502 F CB 1.203 40.259 39.000 0.092 0.000 1.120 502 F HN -0.159 nan 8.300 nan 0.000 0.493 503 P HA -0.060 nan 4.420 nan 0.000 0.259 503 P C -0.998 176.273 177.300 -0.048 0.000 1.163 503 P CA 0.479 63.542 63.100 -0.061 0.000 0.760 503 P CB 0.441 32.065 31.700 -0.127 0.000 0.762 504 A N 3.187 125.988 122.820 -0.033 0.000 2.486 504 A HA 0.838 5.158 4.320 -0.000 0.000 0.300 504 A C -0.402 177.160 177.584 -0.037 0.000 1.048 504 A CA -0.210 51.789 52.037 -0.063 0.000 0.696 504 A CB 2.049 21.005 19.000 -0.074 0.000 1.278 504 A HN 0.562 nan 8.150 nan 0.000 0.405 505 G N -0.792 107.987 108.800 -0.035 0.000 2.718 505 G HA2 0.655 4.615 3.960 -0.000 0.000 0.295 505 G HA3 0.655 4.615 3.960 -0.000 0.000 0.295 505 G C -1.985 172.912 174.900 -0.004 0.000 1.421 505 G CA -0.357 44.737 45.100 -0.009 0.000 0.902 505 G HN 1.636 nan 8.290 nan 0.000 0.501 506 V N 0.868 120.780 119.914 -0.002 0.000 2.638 506 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 506 V C -0.880 175.219 176.094 0.009 0.000 1.052 506 V CA -0.706 61.592 62.300 -0.004 0.000 0.885 506 V CB 1.683 33.489 31.823 -0.027 0.000 0.999 506 V HN 1.417 nan 8.190 nan 0.000 0.424 507 V N 7.477 127.393 119.914 0.004 0.000 2.588 507 V HA 0.811 4.931 4.120 -0.000 0.000 0.304 507 V C -2.842 173.246 176.094 -0.010 0.000 1.042 507 V CA -2.262 60.038 62.300 0.000 0.000 0.877 507 V CB 2.508 34.325 31.823 -0.010 0.000 0.996 507 V HN 0.817 nan 8.190 nan 0.000 0.425 508 P HA 0.362 nan 4.420 nan 0.000 0.282 508 P C 0.162 177.441 177.300 -0.035 0.000 1.262 508 P CA -0.006 63.079 63.100 -0.025 0.000 0.773 508 P CB 1.315 33.000 31.700 -0.024 0.000 0.879 509 V N 0.015 119.901 119.914 -0.046 0.000 3.276 509 V HA 0.451 4.570 4.120 -0.000 0.000 0.319 509 V C 0.164 176.229 176.094 -0.049 0.000 1.476 509 V CA 0.255 62.528 62.300 -0.046 0.000 1.097 509 V CB -0.040 31.754 31.823 -0.048 0.000 0.988 509 V HN 0.640 nan 8.190 nan 0.000 0.473 510 T N 0.207 114.724 114.554 -0.062 0.000 2.648 510 T HA 0.525 4.875 4.350 -0.000 0.000 0.300 510 T C -0.897 173.741 174.700 -0.103 0.000 1.751 510 T CA 0.643 62.703 62.100 -0.067 0.000 0.959 510 T CB 1.279 70.115 68.868 -0.053 0.000 1.888 510 T HN 0.947 nan 8.240 nan 0.000 0.480 511 T N -0.606 113.889 114.554 -0.099 0.000 2.901 511 T HA 0.709 5.059 4.350 -0.000 0.000 0.293 511 T C -0.534 174.112 174.700 -0.090 0.000 1.084 511 T CA -0.748 61.275 62.100 -0.129 0.000 1.008 511 T CB 1.304 70.092 68.868 -0.134 0.000 1.170 511 T HN 0.590 nan 8.240 nan 0.000 0.509 512 V N 3.094 122.950 119.914 -0.096 0.000 2.470 512 V HA 0.352 4.472 4.120 -0.000 0.000 0.276 512 V C 1.378 177.444 176.094 -0.047 0.000 1.040 512 V CA -0.179 62.081 62.300 -0.068 0.000 1.008 512 V CB 0.286 32.064 31.823 -0.076 0.000 0.990 512 V HN 1.198 nan 8.190 nan 0.000 0.477 513 T N 2.981 117.515 114.554 -0.033 0.000 2.849 513 T HA 0.483 4.833 4.350 -0.000 0.000 0.284 513 T C 1.385 176.075 174.700 -0.017 0.000 1.004 513 T CA -0.011 62.076 62.100 -0.021 0.000 1.021 513 T CB 1.590 70.450 68.868 -0.015 0.000 1.013 513 T HN 0.715 nan 8.240 nan 0.000 0.527 514 A N 1.019 123.831 122.820 -0.012 0.000 1.940 514 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 514 A C 2.596 180.177 177.584 -0.006 0.000 1.176 514 A CA 2.186 54.218 52.037 -0.009 0.000 0.631 514 A CB -1.801 17.196 19.000 -0.005 0.000 0.814 514 A HN 1.204 nan 8.150 nan 0.000 0.446 515 E N 0.186 120.384 120.200 -0.004 0.000 2.268 515 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 515 E C 1.481 178.083 176.600 0.003 0.000 0.995 515 E CA 1.409 57.810 56.400 0.001 0.000 0.836 515 E CB -0.721 28.980 29.700 0.003 0.000 0.763 515 E HN 0.714 nan 8.360 nan 0.000 0.491 516 D N 0.349 120.748 120.400 -0.003 0.000 2.194 516 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 516 D C 1.134 177.430 176.300 -0.007 0.000 0.964 516 D CA 0.880 54.879 54.000 -0.002 0.000 0.846 516 D CB -0.070 40.723 40.800 -0.012 0.000 0.962 516 D HN 0.430 nan 8.370 nan 0.000 0.490 517 D N -0.490 119.902 120.400 -0.014 0.000 2.328 517 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 517 D C 1.128 177.421 176.300 -0.013 0.000 1.072 517 D CA -0.053 53.934 54.000 -0.021 0.000 0.850 517 D CB 0.783 41.566 40.800 -0.027 0.000 0.922 517 D HN 0.056 nan 8.370 nan 0.000 0.516 518 A N -0.089 122.729 122.820 -0.003 0.000 1.993 518 A HA 0.099 4.418 4.320 -0.000 0.000 0.202 518 A C 2.187 179.779 177.584 0.013 0.000 1.461 518 A CA 0.860 52.898 52.037 0.003 0.000 0.824 518 A CB -0.525 18.477 19.000 0.003 0.000 1.024 518 A HN 0.181 nan 8.150 nan 0.000 0.507 519 Q N -0.941 118.871 119.800 0.020 0.000 2.291 519 Q HA -0.083 4.257 4.340 -0.000 0.000 0.206 519 Q C 1.863 177.899 176.000 0.059 0.000 0.976 519 Q CA 2.099 57.922 55.803 0.035 0.000 0.875 519 Q CB -1.044 27.715 28.738 0.035 0.000 0.927 519 Q HN 0.583 nan 8.270 nan 0.000 0.450 520 M N 1.211 120.839 119.600 0.047 0.000 2.146 520 M HA -0.172 4.308 4.480 -0.000 0.000 0.256 520 M C 1.907 178.228 176.300 0.035 0.000 1.075 520 M CA 2.223 57.543 55.300 0.034 0.000 1.082 520 M CB -0.537 32.047 32.600 -0.027 0.000 1.355 520 M HN 0.651 nan 8.290 nan 0.000 0.402 521 E N -1.193 119.025 120.200 0.030 0.000 2.403 521 E HA 0.492 4.842 4.350 -0.000 0.000 0.188 521 E C 1.307 177.939 176.600 0.054 0.000 1.056 521 E CA 0.781 57.201 56.400 0.033 0.000 0.892 521 E CB -1.294 28.413 29.700 0.012 0.000 1.049 521 E HN 0.661 nan 8.360 nan 0.000 0.465 522 L N -1.861 119.408 121.223 0.076 0.000 2.966 522 L HA 0.543 4.883 4.340 -0.000 0.000 0.262 522 L C 1.088 178.007 176.870 0.082 0.000 1.165 522 L CA -0.315 54.562 54.840 0.062 0.000 0.978 522 L CB -1.344 40.737 42.059 0.037 0.000 1.337 522 L HN 0.487 nan 8.230 nan 0.000 0.563 523 Y N 2.859 123.141 120.300 -0.029 0.000 2.944 523 Y HA 0.290 4.840 4.550 -0.000 0.000 0.340 523 Y C 0.615 176.484 175.900 -0.051 0.000 1.275 523 Y CA 1.342 59.415 58.100 -0.045 0.000 1.590 523 Y CB -0.086 38.356 38.460 -0.030 0.000 1.218 523 Y HN 0.509 nan 8.280 nan 0.000 0.576 524 K N 4.686 124.976 120.400 -0.182 0.000 2.482 524 K HA 0.658 4.978 4.320 -0.000 0.000 0.251 524 K C 0.047 176.404 176.600 -0.404 0.000 0.936 524 K CA -0.430 55.768 56.287 -0.147 0.000 0.791 524 K CB 0.843 33.289 32.500 -0.091 0.000 1.213 524 K HN 1.110 nan 8.250 nan 0.000 0.428 525 G N 0.200 108.850 108.800 -0.250 0.000 2.630 525 G HA2 0.339 4.299 3.960 -0.000 0.000 0.236 525 G HA3 0.339 4.299 3.960 -0.000 0.000 0.236 525 G C 0.456 175.159 174.900 -0.327 0.000 1.248 525 G CA 0.066 44.994 45.100 -0.286 0.000 0.844 525 G HN 0.692 nan 8.290 nan 0.000 0.588 526 Y N 0.136 120.289 120.300 -0.245 0.000 2.224 526 Y HA -0.038 4.512 4.550 -0.000 0.000 0.289 526 Y C 2.192 177.749 175.900 -0.572 0.000 1.146 526 Y CA 1.510 59.328 58.100 -0.470 0.000 1.182 526 Y CB -0.289 37.745 38.460 -0.710 0.000 0.983 526 Y HN 0.491 nan 8.280 nan 0.000 0.524 527 F N -2.455 117.538 119.950 0.073 0.000 2.514 527 F HA 0.360 4.887 4.527 -0.000 0.000 0.281 527 F C 2.169 177.977 175.800 0.014 0.000 1.060 527 F CA 0.509 58.531 58.000 0.035 0.000 1.397 527 F CB -0.489 38.509 39.000 -0.003 0.000 1.129 527 F HN -0.049 nan 8.300 nan 0.000 0.620 528 G N 1.146 110.053 108.800 0.178 0.000 2.166 528 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 528 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 528 G C -0.081 174.822 174.900 0.004 0.000 0.986 528 G CA 0.470 45.621 45.100 0.084 0.000 0.683 528 G HN 0.476 nan 8.290 nan 0.000 0.527 529 D N -0.275 120.095 120.400 -0.051 0.000 2.352 529 D HA 0.176 4.816 4.640 -0.000 0.000 0.238 529 D C 1.862 177.999 176.300 -0.272 0.000 1.286 529 D CA -0.390 53.383 54.000 -0.379 0.000 0.923 529 D CB 0.129 40.642 40.800 -0.479 0.000 1.146 529 D HN 0.230 nan 8.370 nan 0.000 0.471 530 I N -0.590 119.733 120.570 -0.413 0.000 2.227 530 I HA -0.304 3.865 4.170 -0.000 0.000 0.250 530 I C 1.145 177.290 176.117 0.047 0.000 1.087 530 I CA 1.783 62.962 61.300 -0.202 0.000 1.352 530 I CB -0.254 37.592 38.000 -0.258 0.000 1.043 530 I HN 0.471 nan 8.210 nan 0.000 0.425 531 W N 1.176 122.417 121.300 -0.098 0.000 2.388 531 W HA -0.137 4.523 4.660 -0.000 0.000 0.294 531 W C 2.367 178.898 176.519 0.020 0.000 1.212 531 W CA 0.847 58.166 57.345 -0.043 0.000 1.271 531 W CB -1.218 28.198 29.460 -0.073 0.000 1.126 531 W HN 0.254 nan 8.180 nan 0.000 0.535 532 D N -0.636 119.924 120.400 0.266 0.000 2.323 532 D HA -0.067 4.572 4.640 -0.000 0.000 0.209 532 D C 2.203 178.615 176.300 0.187 0.000 0.973 532 D CA 0.618 54.776 54.000 0.264 0.000 0.874 532 D CB -0.026 40.935 40.800 0.269 0.000 0.930 532 D HN -0.002 nan 8.370 nan 0.000 0.521 533 I N 0.532 121.164 120.570 0.103 0.000 2.286 533 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 533 I C 2.219 178.359 176.117 0.039 0.000 1.104 533 I CA 0.736 62.067 61.300 0.053 0.000 1.397 533 I CB -0.541 37.458 38.000 -0.001 0.000 1.072 533 I HN -0.032 nan 8.210 nan 0.000 0.417 534 I N -0.314 120.290 120.570 0.057 0.000 2.500 534 I HA -0.209 3.961 4.170 -0.000 0.000 0.252 534 I C 2.198 178.315 176.117 0.000 0.000 1.142 534 I CA 0.528 61.848 61.300 0.033 0.000 1.451 534 I CB -0.169 37.867 38.000 0.061 0.000 1.093 534 I HN 0.086 nan 8.210 nan 0.000 0.430 535 L N 0.730 121.964 121.223 0.018 0.000 2.131 535 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 535 L C 2.362 179.058 176.870 -0.289 0.000 1.092 535 L CA 1.747 56.552 54.840 -0.058 0.000 0.759 535 L CB -0.934 41.159 42.059 0.057 0.000 0.903 535 L HN 0.206 nan 8.230 nan 0.000 0.435 536 K N -0.116 120.107 120.400 -0.295 0.000 2.025 536 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 536 K C 2.193 178.682 176.600 -0.186 0.000 1.049 536 K CA 1.863 57.941 56.287 -0.348 0.000 0.933 536 K CB -0.000 32.424 32.500 -0.127 0.000 0.714 536 K HN 0.197 nan 8.250 nan 0.000 0.438 537 K N 0.138 120.476 120.400 -0.103 0.000 2.228 537 K HA 0.127 4.447 4.320 -0.000 0.000 0.202 537 K C 1.898 178.455 176.600 -0.071 0.000 1.051 537 K CA 1.236 57.483 56.287 -0.067 0.000 0.960 537 K CB -0.540 31.938 32.500 -0.036 0.000 0.743 537 K HN 0.414 nan 8.250 nan 0.000 0.458 538 A N -0.265 122.506 122.820 -0.082 0.000 2.030 538 A HA 0.270 4.590 4.320 -0.000 0.000 0.215 538 A C 2.193 179.720 177.584 -0.095 0.000 1.164 538 A CA 1.077 53.069 52.037 -0.075 0.000 0.697 538 A CB 0.041 19.005 19.000 -0.060 0.000 0.827 538 A HN 0.408 nan 8.150 nan 0.000 0.457 539 M N -0.207 119.321 119.600 -0.121 0.000 2.465 539 M HA 0.099 4.579 4.480 -0.000 0.000 0.249 539 M C 1.232 177.460 176.300 -0.119 0.000 1.130 539 M CA 0.496 55.717 55.300 -0.132 0.000 1.067 539 M CB -0.281 32.229 32.600 -0.149 0.000 1.394 539 M HN 0.371 nan 8.290 nan 0.000 0.483 540 K N 1.041 121.377 120.400 -0.107 0.000 2.149 540 K HA 0.169 4.489 4.320 -0.000 0.000 0.245 540 K C 0.560 177.120 176.600 -0.066 0.000 1.024 540 K CA 0.008 56.247 56.287 -0.079 0.000 0.899 540 K CB -0.236 32.223 32.500 -0.067 0.000 1.038 540 K HN 0.383 nan 8.250 nan 0.000 0.496 541 N N -0.973 117.697 118.700 -0.050 0.000 2.783 541 N HA -0.147 4.593 4.740 -0.000 0.000 0.247 541 N C -0.580 174.905 175.510 -0.042 0.000 1.089 541 N CA 1.227 54.254 53.050 -0.039 0.000 0.690 541 N CB -1.597 36.870 38.487 -0.034 0.000 0.991 541 N HN 0.648 nan 8.380 nan 0.000 0.552 542 S N -2.230 113.440 115.700 -0.050 0.000 3.025 542 S HA 0.229 4.699 4.470 -0.000 0.000 0.251 542 S C 0.026 174.592 174.600 -0.057 0.000 0.954 542 S CA -0.499 57.664 58.200 -0.062 0.000 1.092 542 S CB 0.939 64.079 63.200 -0.100 0.000 1.079 542 S HN 0.142 nan 8.310 nan 0.000 0.543 543 V N 2.588 122.481 119.914 -0.036 0.000 2.529 543 V HA 0.425 4.544 4.120 -0.000 0.000 0.292 543 V C 1.391 177.469 176.094 -0.026 0.000 1.028 543 V CA 1.712 63.994 62.300 -0.031 0.000 1.074 543 V CB 0.339 32.152 31.823 -0.016 0.000 0.958 543 V HN 0.917 nan 8.190 nan 0.000 0.481 544 G N 4.551 113.322 108.800 -0.048 0.000 2.141 544 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.242 544 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.242 544 G C -0.076 174.738 174.900 -0.143 0.000 0.982 544 G CA -0.097 44.970 45.100 -0.055 0.000 0.662 544 G HN 0.544 nan 8.290 nan 0.000 0.527 545 L N 1.736 122.854 121.223 -0.175 0.000 2.307 545 L HA 0.396 4.736 4.340 -0.000 0.000 0.282 545 L C -1.737 174.941 176.870 -0.320 0.000 1.051 545 L CA -2.021 52.643 54.840 -0.292 0.000 0.804 545 L CB 1.392 43.329 42.059 -0.203 0.000 1.197 545 L HN -0.065 nan 8.230 nan 0.000 0.431 546 P HA 0.075 nan 4.420 nan 0.000 0.270 546 P C -0.159 177.032 177.300 -0.181 0.000 1.242 546 P CA -0.104 62.805 63.100 -0.319 0.000 0.768 546 P CB 0.680 32.147 31.700 -0.389 0.000 0.820 547 V N 2.737 122.574 119.914 -0.128 0.000 3.546 547 V HA 0.675 4.795 4.120 -0.000 0.000 0.296 547 V C 0.836 176.903 176.094 -0.046 0.000 1.082 547 V CA -0.187 62.071 62.300 -0.069 0.000 1.086 547 V CB 0.152 31.942 31.823 -0.056 0.000 1.174 547 V HN 0.840 nan 8.190 nan 0.000 0.464 548 A N -0.029 122.778 122.820 -0.021 0.000 2.564 548 A HA 0.815 5.134 4.320 -0.000 0.000 0.291 548 A C -1.285 176.283 177.584 -0.026 0.000 1.102 548 A CA -0.360 51.667 52.037 -0.016 0.000 0.660 548 A CB 1.703 20.709 19.000 0.010 0.000 1.283 548 A HN 1.195 nan 8.150 nan 0.000 0.430 549 V N -0.179 119.720 119.914 -0.026 0.000 3.007 549 V HA 0.694 4.814 4.120 -0.000 0.000 0.311 549 V C -1.077 175.009 176.094 -0.013 0.000 1.120 549 V CA -0.375 61.908 62.300 -0.029 0.000 0.980 549 V CB 2.007 33.815 31.823 -0.024 0.000 1.033 549 V HN 1.000 nan 8.190 nan 0.000 0.429 550 Q N 3.351 123.142 119.800 -0.015 0.000 2.340 550 Q HA 0.571 4.911 4.340 -0.000 0.000 0.268 550 Q C -1.754 174.247 176.000 0.002 0.000 1.031 550 Q CA -0.557 55.233 55.803 -0.020 0.000 0.804 550 Q CB 1.810 30.520 28.738 -0.047 0.000 1.286 550 Q HN 0.866 nan 8.270 nan 0.000 0.448 551 C N 3.485 122.801 119.300 0.026 0.000 2.319 551 C HA 0.690 5.149 4.460 -0.000 0.000 0.323 551 C C -0.201 174.757 174.990 -0.053 0.000 1.277 551 C CA -0.822 58.244 59.018 0.080 0.000 1.517 551 C CB 0.462 28.397 27.740 0.326 0.000 2.206 551 C HN 0.553 nan 8.230 nan 0.000 0.486 552 V N 2.737 122.574 119.914 -0.127 0.000 2.628 552 V HA 0.903 5.023 4.120 -0.000 0.000 0.306 552 V C 0.318 176.374 176.094 -0.062 0.000 1.045 552 V CA -0.132 62.078 62.300 -0.150 0.000 0.905 552 V CB 1.803 33.440 31.823 -0.311 0.000 0.997 552 V HN 1.082 nan 8.190 nan 0.000 0.436 553 A N 3.457 126.180 122.820 -0.161 0.000 2.386 553 A HA 0.859 5.178 4.320 -0.000 0.000 0.308 553 A C -0.539 176.588 177.584 -0.762 0.000 1.128 553 A CA -0.847 51.017 52.037 -0.289 0.000 0.789 553 A CB 0.935 19.830 19.000 -0.175 0.000 1.325 553 A HN 0.796 nan 8.150 nan 0.000 0.437 554 L N 1.828 122.349 121.223 -1.169 0.000 2.558 554 L HA 0.042 4.382 4.340 -0.000 0.000 0.301 554 L C -1.583 174.860 176.870 -0.711 0.000 1.267 554 L CA -0.534 53.531 54.840 -1.290 0.000 0.854 554 L CB 0.037 41.541 42.059 -0.925 0.000 1.103 554 L HN 0.506 nan 8.230 nan 0.000 0.522 555 P HA -0.163 nan 4.420 nan 0.000 0.266 555 P C -0.285 176.875 177.300 -0.233 0.000 1.193 555 P CA 0.288 63.146 63.100 -0.402 0.000 0.770 555 P CB 0.216 31.739 31.700 -0.294 0.000 0.836 556 W N -0.991 120.258 121.300 -0.086 0.000 1.640 556 W HA -0.208 4.452 4.660 -0.000 0.000 0.237 556 W C 1.042 177.513 176.519 -0.080 0.000 0.966 556 W CA 0.638 57.944 57.345 -0.064 0.000 0.418 556 W CB -2.275 27.147 29.460 -0.063 0.000 1.968 556 W HN 0.319 nan 8.180 nan 0.000 1.384 557 Q N 1.338 121.148 119.800 0.017 0.000 2.639 557 Q HA 0.076 4.415 4.340 -0.000 0.000 0.301 557 Q C 1.266 177.238 176.000 -0.046 0.000 1.029 557 Q CA 0.775 56.556 55.803 -0.036 0.000 0.936 557 Q CB -0.002 28.672 28.738 -0.105 0.000 1.354 557 Q HN 0.351 nan 8.270 nan 0.000 0.417 558 E N 1.503 121.697 120.200 -0.009 0.000 2.049 558 E HA -0.232 4.117 4.350 -0.000 0.000 0.198 558 E C 1.717 178.328 176.600 0.019 0.000 1.007 558 E CA 1.763 58.172 56.400 0.016 0.000 0.809 558 E CB 0.186 29.936 29.700 0.083 0.000 0.749 558 E HN 0.524 nan 8.360 nan 0.000 0.450 559 E N 0.317 120.483 120.200 -0.057 0.000 2.150 559 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 559 E C 2.045 178.673 176.600 0.047 0.000 0.985 559 E CA 0.628 56.954 56.400 -0.122 0.000 0.814 559 E CB -0.473 28.920 29.700 -0.512 0.000 0.752 559 E HN 0.205 nan 8.360 nan 0.000 0.466 560 L N 1.341 122.575 121.223 0.019 0.000 2.261 560 L HA -0.085 4.255 4.340 -0.000 0.000 0.216 560 L C 2.142 179.062 176.870 0.083 0.000 1.114 560 L CA 0.875 55.747 54.840 0.053 0.000 0.777 560 L CB -0.769 41.294 42.059 0.008 0.000 0.910 560 L HN 0.216 nan 8.230 nan 0.000 0.440 561 C N -1.334 118.007 119.300 0.068 0.000 2.508 561 C HA -0.076 4.384 4.460 -0.000 0.000 0.280 561 C C 2.709 177.816 174.990 0.196 0.000 1.262 561 C CA 0.458 59.537 59.018 0.101 0.000 1.706 561 C CB -0.744 27.023 27.740 0.046 0.000 2.078 561 C HN 0.525 nan 8.230 nan 0.000 0.480 562 L N 0.779 122.104 121.223 0.170 0.000 2.131 562 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 562 L C 2.905 180.010 176.870 0.393 0.000 1.092 562 L CA 1.303 56.265 54.840 0.203 0.000 0.759 562 L CB -0.733 41.345 42.059 0.032 0.000 0.903 562 L HN 0.378 nan 8.230 nan 0.000 0.435 563 R N 0.380 121.144 120.500 0.441 0.000 2.066 563 R HA -0.224 4.116 4.340 -0.000 0.000 0.232 563 R C 2.380 178.818 176.300 0.231 0.000 1.131 563 R CA 1.859 58.174 56.100 0.358 0.000 0.955 563 R CB -0.694 29.759 30.300 0.256 0.000 0.851 563 R HN 0.304 nan 8.270 nan 0.000 0.432 564 F N 1.157 121.150 119.950 0.072 0.000 2.171 564 F HA -0.135 4.391 4.527 -0.000 0.000 0.300 564 F C 2.344 178.148 175.800 0.007 0.000 1.090 564 F CA 1.554 59.553 58.000 -0.002 0.000 1.293 564 F CB -0.066 38.919 39.000 -0.026 0.000 1.013 564 F HN -0.014 nan 8.300 nan 0.000 0.486 565 M N -0.247 119.425 119.600 0.120 0.000 2.132 565 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 565 M C 2.455 178.739 176.300 -0.027 0.000 1.065 565 M CA 1.670 56.983 55.300 0.021 0.000 1.122 565 M CB -0.468 32.195 32.600 0.106 0.000 1.365 565 M HN 0.116 nan 8.290 nan 0.000 0.411 566 R N 0.497 121.039 120.500 0.068 0.000 2.083 566 R HA -0.235 4.105 4.340 -0.000 0.000 0.237 566 R C 1.917 178.192 176.300 -0.041 0.000 1.137 566 R CA 2.095 58.227 56.100 0.054 0.000 0.951 566 R CB -0.196 30.178 30.300 0.124 0.000 0.851 566 R HN 0.223 nan 8.270 nan 0.000 0.434 567 E N -0.094 120.045 120.200 -0.101 0.000 2.058 567 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 567 E C 1.866 178.317 176.600 -0.249 0.000 0.997 567 E CA 1.780 58.080 56.400 -0.166 0.000 0.801 567 E CB -0.069 29.509 29.700 -0.205 0.000 0.746 567 E HN 0.222 nan 8.360 nan 0.000 0.450 568 V N 0.493 120.166 119.914 -0.403 0.000 2.379 568 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 568 V C 2.355 178.345 176.094 -0.174 0.000 1.044 568 V CA 2.018 64.107 62.300 -0.350 0.000 1.036 568 V CB -0.603 30.939 31.823 -0.468 0.000 0.664 568 V HN 0.386 nan 8.190 nan 0.000 0.453 569 E N 0.004 120.130 120.200 -0.123 0.000 2.048 569 E HA -0.323 4.027 4.350 -0.000 0.000 0.202 569 E C 2.335 178.907 176.600 -0.046 0.000 1.021 569 E CA 2.108 58.474 56.400 -0.057 0.000 0.825 569 E CB -0.229 29.461 29.700 -0.017 0.000 0.756 569 E HN 0.574 nan 8.360 nan 0.000 0.454 570 Q N -0.250 119.523 119.800 -0.045 0.000 2.172 570 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 570 Q C 2.447 178.428 176.000 -0.032 0.000 0.964 570 Q CA 0.863 56.649 55.803 -0.027 0.000 0.855 570 Q CB 0.051 28.777 28.738 -0.020 0.000 0.918 570 Q HN 0.409 nan 8.270 nan 0.000 0.444 571 L N -0.107 121.086 121.223 -0.051 0.000 2.141 571 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 571 L C 2.115 178.960 176.870 -0.042 0.000 1.094 571 L CA 0.732 55.545 54.840 -0.046 0.000 0.763 571 L CB -0.064 41.958 42.059 -0.061 0.000 0.908 571 L HN 0.283 nan 8.230 nan 0.000 0.437 572 M N -2.196 117.375 119.600 -0.047 0.000 2.615 572 M HA 0.141 4.621 4.480 -0.000 0.000 0.262 572 M C 1.159 177.444 176.300 -0.025 0.000 1.198 572 M CA 0.493 55.770 55.300 -0.039 0.000 1.165 572 M CB -0.830 31.741 32.600 -0.048 0.000 1.310 572 M HN 0.009 nan 8.290 nan 0.000 0.494 573 T N 0.000 114.542 114.554 -0.020 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 573 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 573 T CB 0.000 68.870 68.868 0.004 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658