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_E 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 0.000 177.586 177.584 0.003 0.000 1.274 37 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 37 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 38 R N 0.848 121.356 120.500 0.014 0.000 2.297 38 R HA 0.415 4.755 4.340 -0.000 0.000 0.197 38 R C 2.049 178.444 176.300 0.160 0.000 0.943 38 R CA 1.570 57.715 56.100 0.075 0.000 1.038 38 R CB -1.459 28.886 30.300 0.075 0.000 0.957 38 R HN 1.220 nan 8.270 nan 0.000 0.484 39 G N 0.092 108.978 108.800 0.143 0.000 2.501 39 G HA2 0.076 4.036 3.960 -0.000 0.000 0.220 39 G HA3 0.076 4.036 3.960 -0.000 0.000 0.220 39 G C 1.371 176.297 174.900 0.044 0.000 1.114 39 G CA 0.647 45.816 45.100 0.115 0.000 0.757 39 G HN 0.802 nan 8.290 nan 0.000 0.559 40 A N 0.516 123.352 122.820 0.026 0.000 2.728 40 A HA 0.665 4.985 4.320 -0.000 0.000 0.258 40 A C 2.016 179.580 177.584 -0.033 0.000 1.454 40 A CA 0.836 52.871 52.037 -0.002 0.000 1.146 40 A CB -0.416 18.584 19.000 0.001 0.000 0.985 40 A HN 0.487 nan 8.150 nan 0.000 0.603 41 A N -0.315 122.478 122.820 -0.046 0.000 2.119 41 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 41 A C 2.195 179.704 177.584 -0.125 0.000 1.152 41 A CA 1.693 53.653 52.037 -0.128 0.000 0.708 41 A CB -0.695 18.224 19.000 -0.134 0.000 0.805 41 A HN 0.677 nan 8.150 nan 0.000 0.460 42 T N -2.761 111.753 114.554 -0.066 0.000 2.995 42 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 42 T C 1.866 176.554 174.700 -0.019 0.000 1.091 42 T CA 0.862 62.938 62.100 -0.040 0.000 1.128 42 T CB -0.234 68.622 68.868 -0.021 0.000 0.891 42 T HN 0.436 nan 8.240 nan 0.000 0.492 43 R N 0.795 121.282 120.500 -0.021 0.000 2.115 43 R HA 0.120 4.460 4.340 -0.000 0.000 0.230 43 R C 2.650 178.956 176.300 0.010 0.000 1.111 43 R CA 1.250 57.350 56.100 0.000 0.000 0.976 43 R CB -0.446 29.854 30.300 0.001 0.000 0.870 43 R HN 0.531 nan 8.270 nan 0.000 0.445 44 A N 0.139 122.928 122.820 -0.052 0.000 1.975 44 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 44 A C 2.051 179.685 177.584 0.084 0.000 1.170 44 A CA 0.593 52.598 52.037 -0.052 0.000 0.656 44 A CB -0.206 18.523 19.000 -0.451 0.000 0.821 44 A HN 0.179 nan 8.150 nan 0.000 0.449 45 R N -0.061 120.441 120.500 0.004 0.000 2.092 45 R HA -0.192 4.148 4.340 -0.000 0.000 0.231 45 R C 2.495 178.863 176.300 0.113 0.000 1.119 45 R CA 1.781 57.932 56.100 0.086 0.000 0.970 45 R CB -0.197 30.112 30.300 0.015 0.000 0.864 45 R HN 0.839 nan 8.270 nan 0.000 0.440 46 Q N -0.004 119.845 119.800 0.081 0.000 2.119 46 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 46 Q C 1.662 177.728 176.000 0.111 0.000 0.972 46 Q CA 1.440 57.293 55.803 0.083 0.000 0.847 46 Q CB -0.120 28.654 28.738 0.059 0.000 0.903 46 Q HN 0.096 nan 8.270 nan 0.000 0.433 47 K N 0.414 120.898 120.400 0.139 0.000 2.097 47 K HA -0.227 4.092 4.320 -0.000 0.000 0.206 47 K C 2.289 178.993 176.600 0.173 0.000 1.049 47 K CA 1.684 58.069 56.287 0.164 0.000 0.933 47 K CB -0.049 32.571 32.500 0.199 0.000 0.717 47 K HN 0.443 nan 8.250 nan 0.000 0.442 48 Q N 0.315 120.244 119.800 0.215 0.000 2.020 48 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 48 Q C 2.341 178.407 176.000 0.109 0.000 0.982 48 Q CA 2.246 58.140 55.803 0.153 0.000 0.838 48 Q CB -0.082 28.790 28.738 0.224 0.000 0.899 48 Q HN 0.251 nan 8.270 nan 0.000 0.423 49 R N 0.317 120.884 120.500 0.111 0.000 2.073 49 R HA -0.019 4.321 4.340 -0.000 0.000 0.234 49 R C 2.238 178.598 176.300 0.102 0.000 1.134 49 R CA 1.797 57.952 56.100 0.092 0.000 0.952 49 R CB -1.749 28.598 30.300 0.078 0.000 0.850 49 R HN 0.564 nan 8.270 nan 0.000 0.433 50 A N -0.500 122.381 122.820 0.102 0.000 1.969 50 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 50 A C 2.504 180.157 177.584 0.115 0.000 1.169 50 A CA 1.765 53.863 52.037 0.101 0.000 0.635 50 A CB -0.393 18.663 19.000 0.094 0.000 0.810 50 A HN 0.497 nan 8.150 nan 0.000 0.445 51 S N -1.070 114.709 115.700 0.131 0.000 2.470 51 S HA 0.058 4.528 4.470 -0.000 0.000 0.225 51 S C 1.639 176.317 174.600 0.131 0.000 1.006 51 S CA 0.447 58.742 58.200 0.159 0.000 0.934 51 S CB -0.257 63.054 63.200 0.185 0.000 0.778 51 S HN 0.367 nan 8.310 nan 0.000 0.517 52 L N 2.193 123.493 121.223 0.128 0.000 2.156 52 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 52 L C 2.742 179.764 176.870 0.253 0.000 1.095 52 L CA 2.134 57.082 54.840 0.179 0.000 0.770 52 L CB -1.056 41.083 42.059 0.132 0.000 0.914 52 L HN 0.440 nan 8.230 nan 0.000 0.439 53 E N -1.585 118.716 120.200 0.169 0.000 2.285 53 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 53 E C 2.080 178.697 176.600 0.027 0.000 0.997 53 E CA 1.342 57.814 56.400 0.120 0.000 0.845 53 E CB -1.110 28.650 29.700 0.101 0.000 0.782 53 E HN 0.540 nan 8.360 nan 0.000 0.491 54 T N 0.633 115.202 114.554 0.025 0.000 2.812 54 T HA -0.046 4.304 4.350 -0.000 0.000 0.264 54 T C 2.232 176.824 174.700 -0.180 0.000 1.042 54 T CA 1.395 63.483 62.100 -0.019 0.000 1.140 54 T CB -0.264 68.650 68.868 0.077 0.000 0.870 54 T HN 0.436 nan 8.240 nan 0.000 0.445 55 M N 1.324 120.751 119.600 -0.289 0.000 2.108 55 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 55 M C 2.269 178.349 176.300 -0.368 0.000 1.066 55 M CA 1.853 56.899 55.300 -0.424 0.000 1.107 55 M CB -0.594 31.880 32.600 -0.210 0.000 1.356 55 M HN 0.202 nan 8.290 nan 0.000 0.406 56 D N 0.910 121.062 120.400 -0.413 0.000 2.097 56 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 56 D C 1.979 178.059 176.300 -0.367 0.000 0.984 56 D CA 2.249 55.842 54.000 -0.679 0.000 0.826 56 D CB 0.061 40.448 40.800 -0.689 0.000 0.973 56 D HN 0.231 nan 8.370 nan 0.000 0.460 57 K N -0.479 119.802 120.400 -0.198 0.000 2.505 57 K HA 0.535 4.855 4.320 -0.000 0.000 0.192 57 K C 1.531 178.105 176.600 -0.043 0.000 1.025 57 K CA 0.882 57.105 56.287 -0.105 0.000 1.086 57 K CB -0.328 32.139 32.500 -0.054 0.000 0.840 57 K HN 0.346 nan 8.250 nan 0.000 0.514 58 A N 0.051 122.851 122.820 -0.033 0.000 2.108 58 A HA 0.235 4.555 4.320 -0.000 0.000 0.206 58 A C 2.280 179.976 177.584 0.187 0.000 1.212 58 A CA 1.081 53.192 52.037 0.125 0.000 0.843 58 A CB -0.030 19.098 19.000 0.213 0.000 0.902 58 A HN 0.730 nan 8.150 nan 0.000 0.477 59 V N -2.447 117.486 119.914 0.032 0.000 2.788 59 V HA -0.101 4.019 4.120 -0.000 0.000 0.251 59 V C 1.765 177.852 176.094 -0.013 0.000 1.068 59 V CA 1.883 64.211 62.300 0.047 0.000 1.090 59 V CB -0.802 30.962 31.823 -0.098 0.000 0.710 59 V HN 0.510 nan 8.190 nan 0.000 0.467 60 Q N 0.328 120.064 119.800 -0.107 0.000 2.389 60 Q HA 0.021 4.361 4.340 -0.000 0.000 0.204 60 Q C 2.624 178.580 176.000 -0.072 0.000 0.944 60 Q CA 1.339 57.077 55.803 -0.108 0.000 0.908 60 Q CB -0.102 28.543 28.738 -0.156 0.000 1.002 60 Q HN 0.829 nan 8.270 nan 0.000 0.493 61 R N 0.523 120.997 120.500 -0.043 0.000 2.081 61 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 61 R C 1.630 177.888 176.300 -0.069 0.000 1.131 61 R CA 1.634 57.709 56.100 -0.042 0.000 0.960 61 R CB -1.479 28.816 30.300 -0.009 0.000 0.856 61 R HN 0.345 nan 8.270 nan 0.000 0.436 62 F N 1.188 120.990 119.950 -0.247 0.000 2.149 62 F HA 0.042 4.569 4.527 -0.000 0.000 0.294 62 F C 2.961 178.635 175.800 -0.210 0.000 1.095 62 F CA 2.281 60.075 58.000 -0.344 0.000 1.276 62 F CB -0.239 38.414 39.000 -0.577 0.000 1.023 62 F HN 0.320 nan 8.300 nan 0.000 0.480 63 R N 0.768 121.205 120.500 -0.106 0.000 2.193 63 R HA 0.149 4.489 4.340 -0.000 0.000 0.213 63 R C 2.219 178.402 176.300 -0.194 0.000 1.055 63 R CA 1.315 57.316 56.100 -0.165 0.000 0.995 63 R CB -2.161 28.121 30.300 -0.030 0.000 0.893 63 R HN 0.456 nan 8.270 nan 0.000 0.459 64 L N -0.490 120.635 121.223 -0.163 0.000 2.083 64 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 64 L C 2.755 179.509 176.870 -0.192 0.000 1.083 64 L CA 2.857 57.608 54.840 -0.149 0.000 0.752 64 L CB -1.863 40.129 42.059 -0.112 0.000 0.899 64 L HN 0.695 nan 8.230 nan 0.000 0.433 65 Q N -1.245 118.394 119.800 -0.268 0.000 2.360 65 Q HA 0.149 4.489 4.340 -0.000 0.000 0.202 65 Q C 1.115 176.872 176.000 -0.406 0.000 0.915 65 Q CA 0.857 56.483 55.803 -0.294 0.000 0.943 65 Q CB -0.459 28.118 28.738 -0.269 0.000 1.064 65 Q HN 0.884 nan 8.270 nan 0.000 0.511 66 N N 0.126 118.521 118.700 -0.509 0.000 2.646 66 N HA 0.212 4.952 4.740 -0.000 0.000 0.296 66 N C -2.718 172.601 175.510 -0.319 0.000 1.886 66 N CA -0.727 52.009 53.050 -0.524 0.000 0.855 66 N CB 1.748 39.616 38.487 -1.032 0.000 1.336 66 N HN 0.197 nan 8.380 nan 0.000 0.496 67 P HA 0.279 nan 4.420 nan 0.000 0.236 67 P C -0.317 176.923 177.300 -0.100 0.000 1.709 67 P CA 0.515 63.529 63.100 -0.143 0.000 0.942 67 P CB -0.152 31.476 31.700 -0.121 0.000 1.615 68 D N -1.905 118.437 120.400 -0.097 0.000 2.615 68 D HA 0.375 5.015 4.640 -0.000 0.000 0.274 68 D C 0.356 176.629 176.300 -0.046 0.000 1.512 68 D CA -0.069 53.893 54.000 -0.063 0.000 0.803 68 D CB -0.290 40.476 40.800 -0.056 0.000 1.182 68 D HN 0.275 nan 8.370 nan 0.000 0.473 69 L N 0.596 121.791 121.223 -0.047 0.000 2.305 69 L HA 0.720 5.060 4.340 -0.000 0.000 0.281 69 L C 0.211 177.080 176.870 -0.002 0.000 1.085 69 L CA -0.674 54.162 54.840 -0.008 0.000 0.813 69 L CB 0.902 42.980 42.059 0.031 0.000 1.157 69 L HN 0.182 nan 8.230 nan 0.000 0.436 70 D N 1.963 122.362 120.400 -0.001 0.000 2.338 70 D HA 0.313 4.953 4.640 -0.000 0.000 0.255 70 D C 1.224 177.515 176.300 -0.016 0.000 1.237 70 D CA 0.644 54.638 54.000 -0.010 0.000 0.883 70 D CB 1.393 42.187 40.800 -0.010 0.000 1.087 70 D HN 0.634 nan 8.370 nan 0.000 0.485 71 S N 3.009 118.694 115.700 -0.025 0.000 2.329 71 S HA -0.148 4.322 4.470 -0.000 0.000 0.215 71 S C 2.131 176.684 174.600 -0.077 0.000 1.031 71 S CA 1.385 59.555 58.200 -0.050 0.000 0.985 71 S CB -0.389 62.785 63.200 -0.043 0.000 0.917 71 S HN 0.721 nan 8.310 nan 0.000 0.441 72 E N 0.935 121.100 120.200 -0.059 0.000 2.265 72 E HA 0.094 4.444 4.350 -0.000 0.000 0.196 72 E C 1.878 178.447 176.600 -0.052 0.000 0.996 72 E CA 1.311 57.675 56.400 -0.060 0.000 0.832 72 E CB -0.893 28.782 29.700 -0.041 0.000 0.756 72 E HN 0.595 nan 8.360 nan 0.000 0.491 73 A N 0.118 122.914 122.820 -0.040 0.000 2.081 73 A HA 0.338 4.658 4.320 -0.000 0.000 0.214 73 A C 2.339 179.906 177.584 -0.027 0.000 1.158 73 A CA 1.191 53.212 52.037 -0.026 0.000 0.724 73 A CB -0.171 18.821 19.000 -0.014 0.000 0.826 73 A HN 0.792 nan 8.150 nan 0.000 0.463 74 L N -1.722 119.471 121.223 -0.049 0.000 2.209 74 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 74 L C 1.857 178.665 176.870 -0.105 0.000 1.094 74 L CA 1.368 56.174 54.840 -0.056 0.000 0.790 74 L CB -0.583 41.444 42.059 -0.054 0.000 0.932 74 L HN 0.216 nan 8.230 nan 0.000 0.447 75 L N 0.344 121.458 121.223 -0.182 0.000 2.093 75 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 75 L C 2.588 179.430 176.870 -0.046 0.000 1.085 75 L CA 1.550 56.248 54.840 -0.236 0.000 0.755 75 L CB -1.397 40.497 42.059 -0.276 0.000 0.904 75 L HN 0.491 nan 8.230 nan 0.000 0.435 76 T N -1.827 112.711 114.554 -0.027 0.000 3.035 76 T HA -0.023 4.327 4.350 -0.000 0.000 0.268 76 T C 0.813 175.534 174.700 0.035 0.000 1.109 76 T CA -0.013 62.094 62.100 0.011 0.000 1.119 76 T CB -0.291 68.579 68.868 0.003 0.000 0.900 76 T HN -0.094 nan 8.240 nan 0.000 0.503 77 L N 3.789 125.033 121.223 0.036 0.000 2.562 77 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 77 L C -2.084 174.835 176.870 0.081 0.000 1.167 77 L CA -2.407 52.465 54.840 0.054 0.000 0.917 77 L CB 0.048 42.138 42.059 0.052 0.000 1.187 77 L HN 0.054 nan 8.230 nan 0.000 0.482 78 P HA -0.006 nan 4.420 nan 0.000 0.271 78 P C 0.776 178.120 177.300 0.074 0.000 1.244 78 P CA -0.571 62.575 63.100 0.075 0.000 0.793 78 P CB 0.585 32.322 31.700 0.062 0.000 0.984 79 L N 1.055 122.316 121.223 0.063 0.000 2.083 79 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 79 L C 1.836 178.735 176.870 0.048 0.000 1.083 79 L CA 1.912 56.781 54.840 0.049 0.000 0.752 79 L CB -1.276 40.795 42.059 0.019 0.000 0.899 79 L HN 0.259 nan 8.230 nan 0.000 0.433 80 L N -1.149 120.105 121.223 0.051 0.000 2.046 80 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 80 L C 2.396 179.300 176.870 0.057 0.000 1.077 80 L CA 1.611 56.484 54.840 0.055 0.000 0.747 80 L CB -1.829 40.267 42.059 0.062 0.000 0.896 80 L HN 0.429 nan 8.230 nan 0.000 0.432 81 Q N -0.888 118.947 119.800 0.057 0.000 2.389 81 Q HA -0.010 4.330 4.340 -0.000 0.000 0.204 81 Q C 2.307 178.344 176.000 0.062 0.000 0.944 81 Q CA 0.124 55.961 55.803 0.056 0.000 0.908 81 Q CB 0.235 29.004 28.738 0.051 0.000 1.002 81 Q HN 0.375 nan 8.270 nan 0.000 0.493 82 L N 0.158 121.423 121.223 0.069 0.000 2.005 82 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 82 L C 2.110 179.023 176.870 0.072 0.000 1.072 82 L CA 1.310 56.197 54.840 0.079 0.000 0.744 82 L CB -0.360 41.760 42.059 0.102 0.000 0.895 82 L HN 0.133 nan 8.230 nan 0.000 0.433 83 V N 0.635 120.588 119.914 0.065 0.000 2.343 83 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 83 V C 2.536 178.682 176.094 0.086 0.000 1.051 83 V CA 2.091 64.435 62.300 0.072 0.000 1.036 83 V CB -0.609 31.248 31.823 0.058 0.000 0.654 83 V HN 0.660 nan 8.190 nan 0.000 0.451 84 Q N 0.134 119.977 119.800 0.072 0.000 2.369 84 Q HA -0.115 4.225 4.340 -0.000 0.000 0.206 84 Q C 1.938 177.980 176.000 0.069 0.000 0.963 84 Q CA 1.590 57.434 55.803 0.068 0.000 0.894 84 Q CB -0.308 28.464 28.738 0.057 0.000 0.965 84 Q HN 0.470 nan 8.270 nan 0.000 0.475 85 K N -0.634 119.810 120.400 0.072 0.000 2.361 85 K HA 0.081 4.401 4.320 -0.000 0.000 0.196 85 K C 1.052 177.708 176.600 0.092 0.000 1.039 85 K CA 0.068 56.398 56.287 0.072 0.000 1.001 85 K CB 0.303 32.841 32.500 0.063 0.000 0.795 85 K HN 0.226 nan 8.250 nan 0.000 0.495 86 L N 0.481 121.774 121.223 0.116 0.000 2.298 86 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 86 L C 2.157 179.184 176.870 0.261 0.000 1.084 86 L CA 1.479 56.425 54.840 0.176 0.000 0.816 86 L CB -0.486 41.662 42.059 0.148 0.000 0.967 86 L HN 0.106 nan 8.230 nan 0.000 0.460 87 Q N -0.099 119.809 119.800 0.180 0.000 2.123 87 Q HA -0.104 4.236 4.340 -0.000 0.000 0.199 87 Q C 2.249 178.283 176.000 0.055 0.000 0.966 87 Q CA 1.725 57.593 55.803 0.108 0.000 0.845 87 Q CB 0.072 28.855 28.738 0.075 0.000 0.907 87 Q HN 0.501 nan 8.270 nan 0.000 0.439 88 S N -1.956 113.783 115.700 0.065 0.000 2.527 88 S HA 0.212 4.682 4.470 -0.000 0.000 0.222 88 S C 1.393 176.025 174.600 0.055 0.000 0.985 88 S CA 0.396 58.624 58.200 0.047 0.000 0.921 88 S CB 0.082 63.307 63.200 0.043 0.000 0.772 88 S HN 0.625 nan 8.310 nan 0.000 0.529 89 G N 1.190 110.041 108.800 0.085 0.000 2.137 89 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.237 89 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.237 89 G C 0.392 175.338 174.900 0.077 0.000 1.002 89 G CA 0.462 45.619 45.100 0.094 0.000 0.702 89 G HN 0.559 nan 8.290 nan 0.000 0.515 90 E N -0.953 119.289 120.200 0.070 0.000 2.072 90 E HA 0.139 4.489 4.350 -0.000 0.000 0.190 90 E C 1.166 177.803 176.600 0.062 0.000 0.982 90 E CA 0.349 56.783 56.400 0.057 0.000 0.803 90 E CB 0.022 29.752 29.700 0.050 0.000 0.755 90 E HN 0.594 nan 8.360 nan 0.000 0.453 91 L N 1.388 122.654 121.223 0.072 0.000 2.325 91 L HA 0.200 4.540 4.340 -0.000 0.000 0.279 91 L C 0.264 177.189 176.870 0.092 0.000 1.054 91 L CA -0.822 54.064 54.840 0.077 0.000 0.804 91 L CB 1.693 43.794 42.059 0.071 0.000 1.200 91 L HN 0.055 nan 8.230 nan 0.000 0.436 92 S N 1.864 117.622 115.700 0.098 0.000 2.592 92 S HA 0.280 4.750 4.470 -0.000 0.000 0.271 92 S C -1.938 172.708 174.600 0.077 0.000 1.326 92 S CA -1.071 57.193 58.200 0.106 0.000 1.024 92 S CB 1.020 64.293 63.200 0.122 0.000 0.921 92 S HN 0.422 nan 8.310 nan 0.000 0.527 93 P HA -0.027 nan 4.420 nan 0.000 0.220 93 P C 0.830 178.146 177.300 0.026 0.000 1.148 93 P CA 1.055 64.116 63.100 -0.064 0.000 0.803 93 P CB 0.001 31.602 31.700 -0.165 0.000 0.782 94 E N -0.253 120.011 120.200 0.107 0.000 2.152 94 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 94 E C 2.143 178.786 176.600 0.072 0.000 0.983 94 E CA 1.262 57.782 56.400 0.201 0.000 0.818 94 E CB -1.000 28.838 29.700 0.231 0.000 0.758 94 E HN 0.150 nan 8.360 nan 0.000 0.467 95 A N 0.755 123.640 122.820 0.109 0.000 1.898 95 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 95 A C 2.457 180.054 177.584 0.022 0.000 1.181 95 A CA 1.683 53.794 52.037 0.124 0.000 0.620 95 A CB -0.855 18.262 19.000 0.195 0.000 0.819 95 A HN 0.242 nan 8.150 nan 0.000 0.442 96 V N -3.395 116.547 119.914 0.046 0.000 2.667 96 V HA -0.080 4.040 4.120 -0.000 0.000 0.252 96 V C 2.185 178.317 176.094 0.063 0.000 1.065 96 V CA 1.706 64.044 62.300 0.062 0.000 1.083 96 V CB -1.093 30.786 31.823 0.094 0.000 0.692 96 V HN 0.452 nan 8.190 nan 0.000 0.468 97 F N 1.035 120.886 119.950 -0.165 0.000 2.053 97 F HA 0.004 4.531 4.527 -0.000 0.000 0.292 97 F C 2.059 177.607 175.800 -0.420 0.000 1.125 97 F CA 1.935 59.733 58.000 -0.336 0.000 1.193 97 F CB -0.229 38.529 39.000 -0.402 0.000 0.996 97 F HN 0.122 nan 8.300 nan 0.000 0.470 98 F N 0.739 120.280 119.950 -0.681 0.000 2.451 98 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 98 F C 2.315 177.789 175.800 -0.543 0.000 1.101 98 F CA 1.481 58.979 58.000 -0.837 0.000 1.436 98 F CB -0.845 37.432 39.000 -1.205 0.000 1.074 98 F HN -0.003 nan 8.300 nan 0.000 0.553 99 T N -1.810 112.601 114.554 -0.238 0.000 2.809 99 T HA -0.174 4.176 4.350 -0.000 0.000 0.260 99 T C 1.539 176.088 174.700 -0.250 0.000 1.039 99 T CA 1.086 63.076 62.100 -0.183 0.000 1.141 99 T CB -0.547 68.222 68.868 -0.165 0.000 0.869 99 T HN 0.136 nan 8.240 nan 0.000 0.437 100 Y N 1.034 121.152 120.300 -0.302 0.000 2.439 100 Y HA 0.197 4.747 4.550 -0.000 0.000 0.292 100 Y C 2.102 177.717 175.900 -0.475 0.000 1.130 100 Y CA -0.187 57.715 58.100 -0.331 0.000 1.254 100 Y CB -0.376 37.872 38.460 -0.353 0.000 1.000 100 Y HN 0.138 nan 8.280 nan 0.000 0.554 101 L N -1.313 119.564 121.223 -0.577 0.000 2.093 101 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 101 L C 2.344 179.095 176.870 -0.198 0.000 1.085 101 L CA 1.567 56.067 54.840 -0.565 0.000 0.755 101 L CB -0.765 40.677 42.059 -1.030 0.000 0.904 101 L HN 0.330 nan 8.230 nan 0.000 0.435 102 G N -0.508 108.189 108.800 -0.172 0.000 2.394 102 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.215 102 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.215 102 G C 1.594 176.543 174.900 0.081 0.000 1.165 102 G CA 0.591 45.666 45.100 -0.041 0.000 0.784 102 G HN 0.168 nan 8.290 nan 0.000 0.535 103 K N 1.119 121.533 120.400 0.024 0.000 2.097 103 K HA 0.222 4.542 4.320 -0.000 0.000 0.205 103 K C 2.651 179.327 176.600 0.126 0.000 1.050 103 K CA 1.283 57.605 56.287 0.058 0.000 0.938 103 K CB -0.576 31.915 32.500 -0.014 0.000 0.718 103 K HN 0.150 nan 8.250 nan 0.000 0.442 104 A N -0.173 122.751 122.820 0.173 0.000 1.883 104 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 104 A C 2.174 179.854 177.584 0.159 0.000 1.186 104 A CA 1.720 53.881 52.037 0.206 0.000 0.624 104 A CB -1.251 17.966 19.000 0.363 0.000 0.822 104 A HN 0.660 nan 8.150 nan 0.000 0.444 105 W N 0.542 121.837 121.300 -0.009 0.000 2.358 105 W HA -0.170 4.490 4.660 0.000 0.000 0.303 105 W C 2.069 178.573 176.519 -0.025 0.000 1.208 105 W CA 2.045 59.370 57.345 -0.032 0.000 1.274 105 W CB -0.127 29.295 29.460 -0.064 0.000 1.138 105 W HN 0.469 nan 8.180 nan 0.000 0.515 106 E N -0.250 120.086 120.200 0.228 0.000 2.031 106 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 106 E C 2.275 178.813 176.600 -0.104 0.000 0.994 106 E CA 2.799 59.243 56.400 0.074 0.000 0.800 106 E CB -0.556 29.239 29.700 0.158 0.000 0.752 106 E HN 0.248 nan 8.360 nan 0.000 0.447 107 V N 0.017 119.902 119.914 -0.049 0.000 2.626 107 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 107 V C 1.833 177.863 176.094 -0.106 0.000 1.067 107 V CA 2.059 64.319 62.300 -0.066 0.000 1.081 107 V CB -0.768 31.040 31.823 -0.025 0.000 0.686 107 V HN 0.205 nan 8.190 nan 0.000 0.468 108 N N 0.966 119.578 118.700 -0.147 0.000 2.381 108 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 108 N C 1.661 177.035 175.510 -0.227 0.000 1.025 108 N CA 1.499 54.445 53.050 -0.173 0.000 0.888 108 N CB -0.361 38.017 38.487 -0.182 0.000 0.965 108 N HN 0.627 nan 8.380 nan 0.000 0.438 109 K N -0.708 119.505 120.400 -0.311 0.000 2.026 109 K HA 0.006 4.326 4.320 -0.000 0.000 0.208 109 K C 2.089 178.593 176.600 -0.160 0.000 1.048 109 K CA 1.342 57.461 56.287 -0.280 0.000 0.929 109 K CB -0.418 31.873 32.500 -0.348 0.000 0.713 109 K HN 0.271 nan 8.250 nan 0.000 0.439 110 G N 0.436 109.159 108.800 -0.130 0.000 2.403 110 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 110 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 110 G C 1.583 176.446 174.900 -0.061 0.000 1.154 110 G CA 1.487 46.538 45.100 -0.082 0.000 0.784 110 G HN 0.457 nan 8.290 nan 0.000 0.538 111 T N -3.165 111.349 114.554 -0.066 0.000 2.969 111 T HA 0.136 4.485 4.350 -0.000 0.000 0.250 111 T C 0.993 175.672 174.700 -0.035 0.000 1.021 111 T CA 0.562 62.641 62.100 -0.036 0.000 1.003 111 T CB -0.086 68.768 68.868 -0.024 0.000 1.040 111 T HN 0.268 nan 8.240 nan 0.000 0.492 112 N N 0.696 119.360 118.700 -0.060 0.000 2.705 112 N HA -0.206 4.534 4.740 -0.000 0.000 0.255 112 N C 0.597 176.080 175.510 -0.046 0.000 1.008 112 N CA 0.727 53.745 53.050 -0.054 0.000 0.742 112 N CB -1.708 36.762 38.487 -0.028 0.000 0.906 112 N HN 0.817 nan 8.380 nan 0.000 0.541 113 C N -2.243 117.022 119.300 -0.060 0.000 3.038 113 C HA 0.594 5.054 4.460 -0.000 0.000 0.279 113 C C 0.541 175.478 174.990 -0.088 0.000 1.276 113 C CA -0.582 58.403 59.018 -0.054 0.000 1.697 113 C CB -0.908 26.813 27.740 -0.033 0.000 2.032 113 C HN 0.216 nan 8.230 nan 0.000 0.636 114 V N 1.897 121.744 119.914 -0.112 0.000 2.407 114 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 114 V C 0.895 176.860 176.094 -0.214 0.000 1.018 114 V CA 0.326 62.543 62.300 -0.138 0.000 0.842 114 V CB 1.373 33.142 31.823 -0.089 0.000 0.996 114 V HN 0.431 nan 8.190 nan 0.000 0.426 115 T N 2.496 116.858 114.554 -0.319 0.000 2.852 115 T HA 0.056 4.406 4.350 -0.000 0.000 0.256 115 T C 0.714 175.164 174.700 -0.417 0.000 1.038 115 T CA 1.402 63.120 62.100 -0.637 0.000 1.141 115 T CB 0.190 68.622 68.868 -0.726 0.000 0.869 115 T HN 0.788 nan 8.240 nan 0.000 0.439 116 S N -0.424 115.141 115.700 -0.224 0.000 2.547 116 S HA 0.512 4.982 4.470 -0.000 0.000 0.270 116 S C -1.739 172.782 174.600 -0.131 0.000 1.150 116 S CA -1.034 57.083 58.200 -0.138 0.000 0.850 116 S CB 1.110 64.220 63.200 -0.150 0.000 1.118 116 S HN 0.332 nan 8.310 nan 0.000 0.461 117 Y N 3.116 123.295 120.300 -0.201 0.000 2.328 117 Y HA 0.637 5.186 4.550 -0.000 0.000 0.337 117 Y C -0.726 174.991 175.900 -0.304 0.000 1.008 117 Y CA -0.973 57.017 58.100 -0.184 0.000 1.129 117 Y CB 0.975 39.417 38.460 -0.030 0.000 1.185 117 Y HN 0.715 nan 8.280 nan 0.000 0.476 118 L N 7.328 127.995 121.223 -0.928 0.000 2.387 118 L HA 0.122 4.462 4.340 -0.000 0.000 0.267 118 L C 1.397 177.796 176.870 -0.786 0.000 1.197 118 L CA -0.053 54.157 54.840 -1.050 0.000 1.070 118 L CB -0.090 41.144 42.059 -1.376 0.000 1.349 118 L HN 0.899 nan 8.230 nan 0.000 0.422 119 T N -2.281 112.006 114.554 -0.446 0.000 2.778 119 T HA -0.249 4.101 4.350 -0.000 0.000 0.269 119 T C 1.004 175.602 174.700 -0.169 0.000 1.050 119 T CA 1.541 63.437 62.100 -0.339 0.000 1.137 119 T CB -0.553 68.331 68.868 0.027 0.000 0.860 119 T HN 0.726 nan 8.240 nan 0.000 0.468 120 D N 1.474 121.827 120.400 -0.079 0.000 2.400 120 D HA 0.157 4.797 4.640 -0.000 0.000 0.243 120 D C 0.825 177.103 176.300 -0.036 0.000 1.184 120 D CA -0.499 53.498 54.000 -0.004 0.000 0.853 120 D CB -1.215 39.627 40.800 0.068 0.000 0.944 120 D HN 0.708 nan 8.370 nan 0.000 0.501 121 C N -1.444 117.772 119.300 -0.141 0.000 2.470 121 C HA 0.498 4.958 4.460 -0.000 0.000 0.350 121 C C 1.433 176.321 174.990 -0.170 0.000 1.341 121 C CA -0.574 58.308 59.018 -0.226 0.000 2.440 121 C CB 0.584 28.091 27.740 -0.389 0.000 2.295 121 C HN 0.547 nan 8.230 nan 0.000 0.645 122 E N -1.685 118.339 120.200 -0.293 0.000 4.976 122 E HA -0.277 4.073 4.350 -0.000 0.000 0.222 122 E C 1.222 177.798 176.600 -0.041 0.000 0.944 122 E CA 2.009 58.351 56.400 -0.097 0.000 1.778 122 E CB -2.005 27.761 29.700 0.110 0.000 1.790 122 E HN 0.962 nan 8.360 nan 0.000 0.404 123 T N -1.447 113.081 114.554 -0.042 0.000 3.067 123 T HA 0.028 4.378 4.350 -0.000 0.000 0.257 123 T C 1.577 176.244 174.700 -0.054 0.000 1.105 123 T CA 1.168 63.251 62.100 -0.028 0.000 1.104 123 T CB 0.168 69.033 68.868 -0.006 0.000 0.925 123 T HN 0.029 nan 8.240 nan 0.000 0.498 124 Q N 0.336 120.073 119.800 -0.106 0.000 2.391 124 Q HA 0.382 4.722 4.340 -0.000 0.000 0.211 124 Q C 1.897 177.792 176.000 -0.175 0.000 0.908 124 Q CA 0.385 56.114 55.803 -0.123 0.000 0.920 124 Q CB -0.442 28.225 28.738 -0.119 0.000 1.056 124 Q HN 0.455 nan 8.270 nan 0.000 0.523 125 L N -0.499 120.576 121.223 -0.246 0.000 2.056 125 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 125 L C 2.015 178.837 176.870 -0.079 0.000 1.078 125 L CA 1.223 55.932 54.840 -0.219 0.000 0.749 125 L CB -0.321 41.590 42.059 -0.246 0.000 0.901 125 L HN 0.187 nan 8.230 nan 0.000 0.433 126 S N -0.384 115.289 115.700 -0.044 0.000 2.349 126 S HA -0.228 4.242 4.470 -0.000 0.000 0.216 126 S C 1.487 176.097 174.600 0.016 0.000 1.033 126 S CA 1.580 59.782 58.200 0.003 0.000 1.021 126 S CB -0.531 62.673 63.200 0.007 0.000 0.968 126 S HN 0.569 nan 8.310 nan 0.000 0.426 127 Q N 0.392 120.191 119.800 -0.001 0.000 3.027 127 Q HA 0.694 5.034 4.340 -0.000 0.000 0.260 127 Q C -0.308 175.700 176.000 0.013 0.000 1.379 127 Q CA -0.012 55.796 55.803 0.008 0.000 1.038 127 Q CB -0.553 28.182 28.738 -0.005 0.000 1.578 127 Q HN 0.583 nan 8.270 nan 0.000 0.571 128 A N 2.444 125.302 122.820 0.064 0.000 2.267 128 A HA 0.711 5.031 4.320 -0.000 0.000 0.315 128 A C -2.598 175.107 177.584 0.202 0.000 1.297 128 A CA -1.786 50.326 52.037 0.124 0.000 0.865 128 A CB 0.898 19.965 19.000 0.111 0.000 1.165 128 A HN 0.485 nan 8.150 nan 0.000 0.513 129 P HA 0.075 nan 4.420 nan 0.000 0.260 129 P C 0.803 178.101 177.300 -0.003 0.000 1.207 129 P CA -0.097 63.029 63.100 0.043 0.000 0.780 129 P CB 0.495 32.207 31.700 0.019 0.000 0.789 130 R N 3.651 124.031 120.500 -0.199 0.000 2.189 130 R HA -0.114 4.226 4.340 -0.000 0.000 0.218 130 R C 1.851 177.881 176.300 -0.450 0.000 1.074 130 R CA 1.612 57.310 56.100 -0.669 0.000 0.991 130 R CB -0.255 29.693 30.300 -0.587 0.000 0.883 130 R HN 0.549 nan 8.270 nan 0.000 0.457 131 Q N 0.082 119.770 119.800 -0.188 0.000 2.322 131 Q HA 0.203 4.543 4.340 -0.000 0.000 0.203 131 Q C 0.635 176.623 176.000 -0.021 0.000 0.923 131 Q CA 0.489 56.237 55.803 -0.092 0.000 0.949 131 Q CB 0.118 28.825 28.738 -0.053 0.000 1.039 131 Q HN 0.427 nan 8.270 nan 0.000 0.496 132 G N 0.215 109.018 108.800 0.005 0.000 2.406 132 G HA2 0.359 4.319 3.960 -0.000 0.000 0.251 132 G HA3 0.359 4.319 3.960 -0.000 0.000 0.251 132 G C 0.719 175.661 174.900 0.070 0.000 1.271 132 G CA -0.538 44.592 45.100 0.050 0.000 0.859 132 G HN 0.255 nan 8.290 nan 0.000 0.540 133 L N 1.774 123.023 121.223 0.043 0.000 2.261 133 L HA 0.039 4.379 4.340 -0.000 0.000 0.216 133 L C 1.828 178.719 176.870 0.036 0.000 1.114 133 L CA 1.267 56.129 54.840 0.036 0.000 0.777 133 L CB -0.710 41.358 42.059 0.015 0.000 0.910 133 L HN 0.488 nan 8.230 nan 0.000 0.440 134 L N -2.315 118.929 121.223 0.034 0.000 2.999 134 L HA 0.090 4.429 4.340 -0.000 0.000 0.263 134 L C 1.340 178.239 176.870 0.049 0.000 1.320 134 L CA -0.312 54.541 54.840 0.021 0.000 0.913 134 L CB -0.167 41.874 42.059 -0.029 0.000 1.296 134 L HN 0.044 nan 8.230 nan 0.000 0.546 135 Y N 1.454 121.740 120.300 -0.022 0.000 2.053 135 Y HA -0.284 4.266 4.550 0.000 0.000 0.277 135 Y C 2.087 177.975 175.900 -0.020 0.000 1.159 135 Y CA 2.062 60.150 58.100 -0.021 0.000 1.125 135 Y CB 0.194 38.649 38.460 -0.008 0.000 0.969 135 Y HN 0.367 nan 8.280 nan 0.000 0.492 136 G N -0.311 108.297 108.800 -0.320 0.000 2.623 136 G HA2 0.042 4.002 3.960 -0.000 0.000 0.214 136 G HA3 0.042 4.002 3.960 -0.000 0.000 0.214 136 G C 0.010 174.772 174.900 -0.230 0.000 1.138 136 G CA 0.343 45.177 45.100 -0.442 0.000 0.794 136 G HN 0.184 nan 8.290 nan 0.000 0.535 137 V N 3.337 123.168 119.914 -0.138 0.000 2.479 137 V HA 0.202 4.322 4.120 -0.000 0.000 0.281 137 V C -1.869 174.178 176.094 -0.077 0.000 1.031 137 V CA -1.606 60.640 62.300 -0.091 0.000 1.038 137 V CB 1.205 32.984 31.823 -0.072 0.000 0.981 137 V HN 0.105 nan 8.190 nan 0.000 0.478 138 P HA 0.270 nan 4.420 nan 0.000 0.282 138 P C -0.655 176.729 177.300 0.140 0.000 1.262 138 P CA -0.035 63.102 63.100 0.063 0.000 0.773 138 P CB 1.246 32.885 31.700 -0.101 0.000 0.879 139 V N 0.960 120.988 119.914 0.190 0.000 2.628 139 V HA 0.717 4.837 4.120 -0.000 0.000 0.306 139 V C 0.110 176.160 176.094 -0.072 0.000 1.045 139 V CA -0.963 61.361 62.300 0.040 0.000 0.905 139 V CB 1.478 33.262 31.823 -0.065 0.000 0.997 139 V HN 0.581 nan 8.190 nan 0.000 0.436 140 S N 4.858 120.450 115.700 -0.181 0.000 2.585 140 S HA 0.829 5.299 4.470 -0.000 0.000 0.277 140 S C -0.564 173.897 174.600 -0.232 0.000 1.241 140 S CA -0.752 57.244 58.200 -0.339 0.000 1.041 140 S CB 1.080 64.099 63.200 -0.302 0.000 0.987 140 S HN 0.773 nan 8.310 nan 0.000 0.512 141 L N 1.588 122.697 121.223 -0.190 0.000 2.362 141 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 141 L C 0.088 177.024 176.870 0.110 0.000 0.998 141 L CA -0.944 53.861 54.840 -0.057 0.000 0.820 141 L CB 1.785 43.870 42.059 0.044 0.000 1.270 141 L HN 0.684 nan 8.230 nan 0.000 0.415 142 K N 1.612 122.143 120.400 0.219 0.000 2.484 142 K HA -0.095 4.225 4.320 -0.000 0.000 0.280 142 K C 1.186 177.871 176.600 0.142 0.000 1.013 142 K CA 0.309 56.725 56.287 0.215 0.000 1.029 142 K CB 0.718 33.400 32.500 0.304 0.000 0.902 142 K HN 0.668 nan 8.250 nan 0.000 0.481 143 E N 3.109 123.205 120.200 -0.173 0.000 2.197 143 E HA -0.356 3.994 4.350 -0.000 0.000 0.205 143 E C 1.489 177.808 176.600 -0.468 0.000 1.029 143 E CA 2.388 58.401 56.400 -0.645 0.000 0.828 143 E CB -0.267 29.212 29.700 -0.370 0.000 0.737 143 E HN 0.843 nan 8.360 nan 0.000 0.464 144 C N -0.267 118.915 119.300 -0.196 0.000 2.422 144 C HA 0.043 4.503 4.460 -0.000 0.000 0.286 144 C C 1.111 175.998 174.990 -0.172 0.000 1.412 144 C CA -0.706 58.206 59.018 -0.178 0.000 1.786 144 C CB -1.714 25.897 27.740 -0.216 0.000 1.835 144 C HN 0.206 nan 8.230 nan 0.000 0.533 145 F N 3.660 123.635 119.950 0.042 0.000 2.487 145 F HA 0.254 4.781 4.527 -0.000 0.000 0.364 145 F C 1.321 177.283 175.800 0.271 0.000 1.126 145 F CA 0.322 58.407 58.000 0.142 0.000 1.135 145 F CB 0.150 39.237 39.000 0.145 0.000 1.127 145 F HN 0.269 nan 8.300 nan 0.000 0.559 146 S N 4.966 120.849 115.700 0.305 0.000 2.531 146 S HA 0.224 4.694 4.470 -0.000 0.000 0.279 146 S C -0.967 173.803 174.600 0.283 0.000 1.305 146 S CA -0.393 57.973 58.200 0.278 0.000 1.058 146 S CB 0.300 63.593 63.200 0.155 0.000 0.899 146 S HN 0.569 nan 8.310 nan 0.000 0.493 147 Y N 1.725 122.136 120.300 0.185 0.000 2.391 147 Y HA 0.510 5.060 4.550 -0.000 0.000 0.341 147 Y C 0.322 176.281 175.900 0.099 0.000 0.965 147 Y CA -0.649 57.510 58.100 0.098 0.000 1.067 147 Y CB 1.121 39.572 38.460 -0.014 0.000 1.199 147 Y HN 0.987 nan 8.280 nan 0.000 0.450 148 K N 2.578 122.981 120.400 0.005 0.000 2.484 148 K HA 0.420 4.740 4.320 -0.000 0.000 0.280 148 K C 1.089 177.749 176.600 0.100 0.000 1.013 148 K CA 0.537 56.843 56.287 0.032 0.000 1.029 148 K CB -0.647 31.807 32.500 -0.077 0.000 0.902 148 K HN 1.651 nan 8.250 nan 0.000 0.481 149 G N 1.029 109.829 108.800 -0.000 0.000 2.253 149 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.251 149 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.251 149 G C 0.331 175.081 174.900 -0.249 0.000 0.998 149 G CA 0.510 45.521 45.100 -0.149 0.000 0.621 149 G HN 1.018 nan 8.290 nan 0.000 0.524 150 H N 0.734 119.888 119.070 0.139 0.000 2.616 150 H HA 0.528 5.084 4.556 -0.000 0.000 0.353 150 H C -0.827 174.603 175.328 0.171 0.000 1.170 150 H CA -0.690 55.438 56.048 0.133 0.000 1.212 150 H CB 1.467 31.278 29.762 0.082 0.000 1.653 150 H HN 0.154 nan 8.280 nan 0.000 0.537 151 D N 0.138 120.731 120.400 0.320 0.000 2.304 151 D HA 0.101 4.741 4.640 -0.000 0.000 0.250 151 D C 0.029 176.460 176.300 0.218 0.000 1.107 151 D CA 0.125 54.263 54.000 0.230 0.000 0.885 151 D CB 0.947 41.871 40.800 0.207 0.000 1.192 151 D HN 0.241 nan 8.370 nan 0.000 0.436 152 S N 0.663 116.447 115.700 0.139 0.000 2.694 152 S HA 0.114 4.584 4.470 -0.000 0.000 0.211 152 S C -0.188 174.431 174.600 0.031 0.000 1.328 152 S CA -0.660 57.570 58.200 0.050 0.000 1.236 152 S CB -0.370 62.867 63.200 0.061 0.000 1.121 152 S HN 0.493 nan 8.310 nan 0.000 0.517 153 T N 1.140 115.736 114.554 0.071 0.000 2.751 153 T HA 0.209 4.559 4.350 -0.000 0.000 0.290 153 T C 0.242 174.968 174.700 0.042 0.000 0.919 153 T CA -0.520 61.620 62.100 0.066 0.000 1.136 153 T CB -0.003 68.944 68.868 0.130 0.000 0.875 153 T HN 0.031 nan 8.240 nan 0.000 0.532 154 L N 4.661 125.873 121.223 -0.017 0.000 2.533 154 L HA 0.363 4.703 4.340 -0.000 0.000 0.239 154 L C 1.752 178.606 176.870 -0.027 0.000 1.376 154 L CA 0.466 55.288 54.840 -0.030 0.000 1.240 154 L CB -0.951 41.068 42.059 -0.067 0.000 1.487 154 L HN 1.163 nan 8.230 nan 0.000 0.419 155 G N 0.676 109.495 108.800 0.032 0.000 2.180 155 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 155 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 155 G C 0.103 174.963 174.900 -0.067 0.000 0.989 155 G CA 0.101 45.210 45.100 0.015 0.000 0.692 155 G HN 0.299 nan 8.290 nan 0.000 0.526 156 L N 0.652 121.817 121.223 -0.097 0.000 2.376 156 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 156 L C 1.473 178.272 176.870 -0.119 0.000 0.987 156 L CA 0.178 54.920 54.840 -0.163 0.000 0.828 156 L CB 1.396 43.312 42.059 -0.237 0.000 1.249 156 L HN 0.045 nan 8.230 nan 0.000 0.409 157 S N 2.803 118.439 115.700 -0.106 0.000 2.387 157 S HA -0.206 4.264 4.470 -0.000 0.000 0.230 157 S C 1.742 176.302 174.600 -0.067 0.000 1.035 157 S CA 1.348 59.506 58.200 -0.071 0.000 1.014 157 S CB -0.277 62.897 63.200 -0.044 0.000 0.836 157 S HN 0.619 nan 8.310 nan 0.000 0.466 158 L N 2.480 123.648 121.223 -0.091 0.000 2.064 158 L HA -0.219 4.121 4.340 -0.000 0.000 0.216 158 L C 1.108 177.950 176.870 -0.046 0.000 1.077 158 L CA 1.912 56.707 54.840 -0.076 0.000 0.766 158 L CB -0.822 41.171 42.059 -0.110 0.000 0.890 158 L HN 0.325 nan 8.230 nan 0.000 0.435 159 N N -1.516 117.156 118.700 -0.046 0.000 2.270 159 N HA -0.045 4.695 4.740 -0.000 0.000 0.198 159 N C 1.241 176.758 175.510 0.012 0.000 1.117 159 N CA -0.071 52.972 53.050 -0.011 0.000 0.845 159 N CB 0.133 38.614 38.487 -0.009 0.000 0.980 159 N HN 0.245 nan 8.380 nan 0.000 0.486 160 E N 1.118 121.315 120.200 -0.004 0.000 2.268 160 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 160 E C 1.920 178.535 176.600 0.025 0.000 0.995 160 E CA 0.454 56.859 56.400 0.007 0.000 0.836 160 E CB -0.238 29.447 29.700 -0.025 0.000 0.763 160 E HN 0.462 nan 8.360 nan 0.000 0.491 161 G N 1.338 110.149 108.800 0.018 0.000 2.484 161 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 161 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 161 G C 1.012 175.935 174.900 0.038 0.000 1.219 161 G CA 1.033 46.147 45.100 0.024 0.000 0.791 161 G HN 0.224 nan 8.290 nan 0.000 0.550 162 M N 1.843 121.468 119.600 0.041 0.000 2.080 162 M HA 0.413 4.893 4.480 -0.000 0.000 0.350 162 M C -2.922 173.419 176.300 0.067 0.000 1.173 162 M CA -2.823 52.505 55.300 0.046 0.000 1.052 162 M CB 1.190 33.813 32.600 0.038 0.000 1.577 162 M HN -0.118 nan 8.290 nan 0.000 0.455 163 P HA 0.103 nan 4.420 nan 0.000 0.269 163 P C -0.559 176.783 177.300 0.071 0.000 1.215 163 P CA -0.004 63.140 63.100 0.074 0.000 0.780 163 P CB 0.274 31.994 31.700 0.034 0.000 0.898 164 S N -0.385 115.372 115.700 0.095 0.000 2.565 164 S HA 0.334 4.804 4.470 -0.000 0.000 0.274 164 S C 1.540 176.167 174.600 0.045 0.000 1.309 164 S CA -0.226 58.020 58.200 0.077 0.000 1.043 164 S CB 0.536 63.799 63.200 0.106 0.000 0.939 164 S HN 0.595 nan 8.310 nan 0.000 0.504 165 E N 0.790 121.005 120.200 0.025 0.000 2.347 165 E HA 0.147 4.497 4.350 -0.000 0.000 0.196 165 E C 0.796 177.392 176.600 -0.008 0.000 1.008 165 E CA 0.919 57.322 56.400 0.006 0.000 0.852 165 E CB -0.047 29.654 29.700 0.002 0.000 0.783 165 E HN 0.635 nan 8.360 nan 0.000 0.505 166 S N -0.447 115.249 115.700 -0.007 0.000 2.537 166 S HA 0.422 4.892 4.470 -0.000 0.000 0.270 166 S C -1.984 172.586 174.600 -0.050 0.000 1.142 166 S CA -0.810 57.369 58.200 -0.036 0.000 0.870 166 S CB 1.574 64.759 63.200 -0.026 0.000 1.112 166 S HN 0.212 nan 8.310 nan 0.000 0.466 167 D N 2.235 122.560 120.400 -0.125 0.000 2.424 167 D HA 0.179 4.819 4.640 -0.000 0.000 0.244 167 D C 0.753 177.016 176.300 -0.060 0.000 1.134 167 D CA -0.012 53.883 54.000 -0.174 0.000 0.881 167 D CB 0.434 41.061 40.800 -0.289 0.000 1.191 167 D HN 0.702 nan 8.370 nan 0.000 0.445 168 C N 2.027 121.334 119.300 0.012 0.000 2.703 168 C HA 0.070 4.530 4.460 -0.000 0.000 0.411 168 C C 2.134 177.151 174.990 0.046 0.000 1.290 168 C CA -0.817 58.243 59.018 0.069 0.000 2.054 168 C CB 0.141 27.987 27.740 0.177 0.000 2.732 168 C HN 0.515 nan 8.230 nan 0.000 0.650 169 V N 3.665 123.611 119.914 0.053 0.000 2.287 169 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 169 V C 2.525 178.630 176.094 0.018 0.000 1.053 169 V CA 2.746 65.063 62.300 0.028 0.000 1.027 169 V CB -0.680 31.164 31.823 0.036 0.000 0.646 169 V HN 1.025 nan 8.190 nan 0.000 0.447 170 V N -2.759 117.190 119.914 0.060 0.000 2.970 170 V HA -0.070 4.050 4.120 -0.000 0.000 0.260 170 V C 2.117 178.191 176.094 -0.034 0.000 1.100 170 V CA 1.452 63.763 62.300 0.019 0.000 1.122 170 V CB -0.444 31.416 31.823 0.060 0.000 0.721 170 V HN 0.294 nan 8.190 nan 0.000 0.483 171 V N 0.307 120.215 119.914 -0.010 0.000 2.453 171 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 171 V C 2.786 178.818 176.094 -0.104 0.000 1.048 171 V CA 2.217 64.481 62.300 -0.060 0.000 1.049 171 V CB -0.577 31.229 31.823 -0.028 0.000 0.672 171 V HN 0.554 nan 8.190 nan 0.000 0.457 172 Q N -0.092 119.649 119.800 -0.099 0.000 2.061 172 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 172 Q C 2.308 178.223 176.000 -0.142 0.000 0.984 172 Q CA 2.268 58.000 55.803 -0.118 0.000 0.846 172 Q CB -0.354 28.331 28.738 -0.088 0.000 0.902 172 Q HN 0.713 nan 8.270 nan 0.000 0.421 173 V N -1.955 117.881 119.914 -0.130 0.000 3.217 173 V HA -0.077 4.043 4.120 -0.000 0.000 0.264 173 V C 1.753 177.748 176.094 -0.165 0.000 1.135 173 V CA 0.975 63.172 62.300 -0.172 0.000 1.142 173 V CB -0.474 31.273 31.823 -0.128 0.000 0.754 173 V HN 0.239 nan 8.190 nan 0.000 0.484 174 L N -0.292 120.851 121.223 -0.133 0.000 2.072 174 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 174 L C 2.833 179.635 176.870 -0.113 0.000 1.079 174 L CA 1.759 56.529 54.840 -0.117 0.000 0.752 174 L CB -0.475 41.519 42.059 -0.109 0.000 0.906 174 L HN 0.229 nan 8.230 nan 0.000 0.436 175 K N 0.250 120.578 120.400 -0.120 0.000 2.025 175 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 175 K C 2.016 178.541 176.600 -0.124 0.000 1.049 175 K CA 1.147 57.368 56.287 -0.109 0.000 0.933 175 K CB -0.211 32.221 32.500 -0.112 0.000 0.714 175 K HN 0.197 nan 8.250 nan 0.000 0.438 176 L N 0.740 121.845 121.223 -0.197 0.000 2.353 176 L HA -0.164 4.176 4.340 -0.000 0.000 0.220 176 L C 1.740 178.461 176.870 -0.248 0.000 1.133 176 L CA 0.742 55.410 54.840 -0.286 0.000 0.798 176 L CB -0.158 41.557 42.059 -0.574 0.000 0.922 176 L HN 0.147 nan 8.230 nan 0.000 0.445 177 Q N -0.329 119.365 119.800 -0.177 0.000 2.212 177 Q HA 0.169 4.509 4.340 -0.000 0.000 0.213 177 Q C 1.263 177.259 176.000 -0.006 0.000 0.874 177 Q CA 0.614 56.372 55.803 -0.075 0.000 0.965 177 Q CB 0.266 28.958 28.738 -0.076 0.000 1.074 177 Q HN 0.379 nan 8.270 nan 0.000 0.473 178 G N -0.839 107.965 108.800 0.007 0.000 2.320 178 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.242 178 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.242 178 G C 0.484 175.370 174.900 -0.024 0.000 1.033 178 G CA 0.024 45.175 45.100 0.085 0.000 0.620 178 G HN 0.715 nan 8.290 nan 0.000 0.517 179 A N -0.338 122.452 122.820 -0.051 0.000 2.475 179 A HA 0.549 4.869 4.320 -0.000 0.000 0.239 179 A C 0.626 178.158 177.584 -0.086 0.000 1.087 179 A CA 1.034 53.024 52.037 -0.079 0.000 0.779 179 A CB 0.543 19.502 19.000 -0.068 0.000 1.036 179 A HN 1.449 nan 8.150 nan 0.000 0.506 180 V N 1.381 121.250 119.914 -0.076 0.000 2.315 180 V HA 0.274 4.394 4.120 -0.000 0.000 0.265 180 V C -2.729 173.396 176.094 0.051 0.000 1.019 180 V CA -1.573 60.678 62.300 -0.082 0.000 0.824 180 V CB 0.674 32.353 31.823 -0.240 0.000 1.072 180 V HN 0.683 nan 8.190 nan 0.000 0.448 181 P HA 0.117 nan 4.420 nan 0.000 0.262 181 P C 0.150 177.472 177.300 0.036 0.000 1.199 181 P CA 0.282 63.414 63.100 0.053 0.000 0.763 181 P CB 0.228 31.995 31.700 0.111 0.000 0.790 182 F N 3.619 123.506 119.950 -0.105 0.000 2.747 182 F HA 0.321 4.848 4.527 -0.000 0.000 0.305 182 F C -0.165 175.556 175.800 -0.132 0.000 1.065 182 F CA -0.236 57.725 58.000 -0.065 0.000 1.230 182 F CB 0.090 39.244 39.000 0.256 0.000 1.027 182 F HN 0.069 nan 8.300 nan 0.000 0.607 183 V N -0.891 118.568 119.914 -0.758 0.000 2.841 183 V HA 0.503 4.623 4.120 -0.000 0.000 0.310 183 V C -1.110 174.755 176.094 -0.381 0.000 1.090 183 V CA -0.908 61.068 62.300 -0.540 0.000 0.930 183 V CB 1.074 32.565 31.823 -0.554 0.000 1.014 183 V HN 0.293 nan 8.190 nan 0.000 0.425 184 H N 2.335 121.198 119.070 -0.345 0.000 2.580 184 H HA 0.610 5.166 4.556 0.000 0.000 0.322 184 H C 0.269 175.454 175.328 -0.238 0.000 1.082 184 H CA 0.151 56.048 56.048 -0.252 0.000 1.383 184 H CB 1.488 31.106 29.762 -0.240 0.000 1.450 184 H HN 1.007 nan 8.280 nan 0.000 0.505 185 T N 1.157 115.677 114.554 -0.058 0.000 2.855 185 T HA 0.135 4.485 4.350 -0.000 0.000 0.281 185 T C 0.173 174.808 174.700 -0.108 0.000 1.007 185 T CA -1.242 60.795 62.100 -0.104 0.000 1.009 185 T CB 1.499 70.319 68.868 -0.080 0.000 0.983 185 T HN 0.528 nan 8.240 nan 0.000 0.455 186 N N 1.492 120.121 118.700 -0.119 0.000 2.407 186 N HA 0.240 4.980 4.740 -0.000 0.000 0.250 186 N C 0.044 175.544 175.510 -0.016 0.000 1.236 186 N CA -0.145 52.857 53.050 -0.081 0.000 0.879 186 N CB 0.459 38.913 38.487 -0.056 0.000 1.088 186 N HN 0.752 nan 8.380 nan 0.000 0.450 187 V N 0.837 120.760 119.914 0.015 0.000 2.975 187 V HA 0.771 4.891 4.120 -0.000 0.000 0.318 187 V C -2.312 173.815 176.094 0.056 0.000 1.077 187 V CA -2.128 60.192 62.300 0.033 0.000 1.000 187 V CB 1.438 33.275 31.823 0.023 0.000 1.066 187 V HN 0.681 nan 8.190 nan 0.000 0.452 188 P HA 0.142 nan 4.420 nan 0.000 0.274 188 P C 0.404 177.758 177.300 0.089 0.000 1.237 188 P CA -0.034 63.106 63.100 0.067 0.000 0.793 188 P CB 1.090 32.823 31.700 0.056 0.000 0.977 189 Q N 1.356 121.222 119.800 0.111 0.000 1.800 189 Q HA -0.220 4.120 4.340 -0.000 0.000 0.292 189 Q C 1.846 177.903 176.000 0.095 0.000 1.027 189 Q CA 2.572 58.446 55.803 0.118 0.000 0.890 189 Q CB -0.906 27.948 28.738 0.193 0.000 0.968 189 Q HN 0.393 nan 8.270 nan 0.000 0.415 190 S N -1.042 114.780 115.700 0.203 0.000 2.603 190 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 190 S C 0.889 175.587 174.600 0.164 0.000 0.972 190 S CA 0.980 59.268 58.200 0.146 0.000 0.935 190 S CB -0.229 63.181 63.200 0.350 0.000 0.769 190 S HN 0.512 nan 8.310 nan 0.000 0.536 191 M N -2.269 117.413 119.600 0.137 0.000 2.887 191 M HA -0.248 4.232 4.480 -0.000 0.000 0.175 191 M C 0.293 176.683 176.300 0.149 0.000 0.655 191 M CA 0.799 56.168 55.300 0.115 0.000 0.669 191 M CB -1.407 31.229 32.600 0.059 0.000 2.420 191 M HN 0.321 nan 8.290 nan 0.000 0.273 192 L N 2.628 123.989 121.223 0.231 0.000 2.388 192 L HA 0.432 4.772 4.340 -0.000 0.000 0.252 192 L C 0.252 177.221 176.870 0.164 0.000 1.357 192 L CA 1.081 56.027 54.840 0.177 0.000 1.214 192 L CB -0.031 42.117 42.059 0.148 0.000 1.392 192 L HN 0.313 nan 8.230 nan 0.000 0.432 193 S N 1.955 117.736 115.700 0.134 0.000 2.608 193 S HA 0.300 4.770 4.470 -0.000 0.000 0.285 193 S C -0.226 174.441 174.600 0.111 0.000 1.108 193 S CA -0.542 57.712 58.200 0.091 0.000 0.858 193 S CB 0.195 63.428 63.200 0.055 0.000 1.077 193 S HN 0.369 nan 8.310 nan 0.000 0.450 194 F N 1.417 121.272 119.950 -0.158 0.000 2.668 194 F HA 0.574 5.101 4.527 0.000 0.000 0.301 194 F C 0.376 176.025 175.800 -0.251 0.000 1.106 194 F CA -0.671 57.163 58.000 -0.276 0.000 1.289 194 F CB 0.123 38.721 39.000 -0.670 0.000 1.006 194 F HN 0.458 nan 8.300 nan 0.000 0.535 195 D N 0.563 120.774 120.400 -0.315 0.000 2.440 195 D HA 0.175 4.815 4.640 -0.000 0.000 0.269 195 D C -0.624 175.643 176.300 -0.055 0.000 1.249 195 D CA -0.076 53.813 54.000 -0.185 0.000 1.055 195 D CB 2.053 42.747 40.800 -0.176 0.000 1.104 195 D HN 0.277 nan 8.370 nan 0.000 0.561 196 C N 1.315 120.605 119.300 -0.018 0.000 3.123 196 C HA 0.558 5.018 4.460 -0.000 0.000 0.284 196 C C -0.866 174.137 174.990 0.023 0.000 1.076 196 C CA -0.202 58.825 59.018 0.015 0.000 1.416 196 C CB -1.094 26.663 27.740 0.028 0.000 1.841 196 C HN 0.359 nan 8.230 nan 0.000 0.501 197 S N 4.166 119.883 115.700 0.028 0.000 2.537 197 S HA 0.821 5.291 4.470 -0.000 0.000 0.270 197 S C -1.585 173.048 174.600 0.055 0.000 1.142 197 S CA -0.440 57.782 58.200 0.037 0.000 0.870 197 S CB 1.318 64.528 63.200 0.017 0.000 1.112 197 S HN 0.995 nan 8.310 nan 0.000 0.466 198 N N 2.573 121.310 118.700 0.062 0.000 2.484 198 N HA 0.428 5.168 4.740 -0.000 0.000 0.269 198 N C -3.039 172.483 175.510 0.020 0.000 1.237 198 N CA -1.365 51.722 53.050 0.063 0.000 0.838 198 N CB 1.314 39.854 38.487 0.089 0.000 1.593 198 N HN 0.236 nan 8.380 nan 0.000 0.485 199 P HA 0.087 nan 4.420 nan 0.000 0.225 199 P C 1.457 178.673 177.300 -0.140 0.000 1.156 199 P CA 0.292 63.352 63.100 -0.067 0.000 0.787 199 P CB 0.446 32.146 31.700 0.001 0.000 0.802 200 L N -2.217 118.893 121.223 -0.188 0.000 2.072 200 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 200 L C 1.827 178.344 176.870 -0.589 0.000 1.079 200 L CA 1.957 56.524 54.840 -0.456 0.000 0.752 200 L CB -1.023 40.652 42.059 -0.640 0.000 0.906 200 L HN -0.065 nan 8.230 nan 0.000 0.436 201 F N -1.935 118.005 119.950 -0.018 0.000 2.767 201 F HA 0.472 4.999 4.527 0.000 0.000 0.323 201 F C 1.387 177.172 175.800 -0.025 0.000 1.091 201 F CA 0.196 58.185 58.000 -0.018 0.000 1.192 201 F CB 0.439 39.431 39.000 -0.013 0.000 1.056 201 F HN 0.112 nan 8.300 nan 0.000 0.571 202 G N 1.078 109.940 108.800 0.103 0.000 2.545 202 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 202 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 202 G C -0.845 174.087 174.900 0.053 0.000 1.314 202 G CA -0.792 44.338 45.100 0.050 0.000 0.906 202 G HN 0.206 nan 8.290 nan 0.000 0.563 203 Q N -0.260 119.558 119.800 0.029 0.000 2.271 203 Q HA 0.626 4.966 4.340 -0.000 0.000 0.258 203 Q C -0.206 175.806 176.000 0.021 0.000 0.936 203 Q CA -0.289 55.527 55.803 0.022 0.000 0.909 203 Q CB 1.110 29.854 28.738 0.009 0.000 1.253 203 Q HN 0.624 nan 8.270 nan 0.000 0.440 204 T N 4.279 118.848 114.554 0.024 0.000 2.780 204 T HA 0.338 4.688 4.350 -0.000 0.000 0.294 204 T C -0.232 174.486 174.700 0.030 0.000 0.949 204 T CA -0.153 61.959 62.100 0.021 0.000 1.074 204 T CB 0.404 69.286 68.868 0.023 0.000 0.910 204 T HN 0.543 nan 8.240 nan 0.000 0.501 205 M N 3.314 122.930 119.600 0.027 0.000 2.409 205 M HA 0.296 4.776 4.480 -0.000 0.000 0.329 205 M C 0.678 177.021 176.300 0.070 0.000 1.180 205 M CA -0.654 54.670 55.300 0.041 0.000 1.053 205 M CB 0.882 33.495 32.600 0.023 0.000 1.586 205 M HN 0.392 nan 8.290 nan 0.000 0.461 206 N N 3.260 122.023 118.700 0.104 0.000 2.452 206 N HA 0.130 4.870 4.740 -0.000 0.000 0.266 206 N C -1.950 173.640 175.510 0.132 0.000 1.175 206 N CA -1.247 51.899 53.050 0.160 0.000 0.945 206 N CB 1.078 39.683 38.487 0.197 0.000 1.063 206 N HN 0.360 nan 8.380 nan 0.000 0.472 207 P HA -0.060 nan 4.420 nan 0.000 0.223 207 P C 0.929 178.208 177.300 -0.035 0.000 1.151 207 P CA 1.003 64.099 63.100 -0.006 0.000 0.787 207 P CB 0.109 31.757 31.700 -0.086 0.000 0.788 208 W N 0.976 122.292 121.300 0.026 0.000 2.407 208 W HA 0.074 4.734 4.660 -0.000 0.000 0.305 208 W C 1.371 177.895 176.519 0.008 0.000 1.196 208 W CA 0.805 58.161 57.345 0.018 0.000 1.311 208 W CB -0.082 29.390 29.460 0.020 0.000 1.135 208 W HN -0.163 nan 8.180 nan 0.000 0.514 209 K N -0.450 120.093 120.400 0.238 0.000 2.513 209 K HA 0.192 4.512 4.320 -0.000 0.000 0.251 209 K C 0.428 177.079 176.600 0.084 0.000 0.939 209 K CA -0.263 56.099 56.287 0.126 0.000 0.793 209 K CB 1.948 34.507 32.500 0.099 0.000 1.241 209 K HN -0.370 nan 8.250 nan 0.000 0.431 210 S N 0.363 116.094 115.700 0.052 0.000 2.447 210 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 210 S C 1.452 176.068 174.600 0.027 0.000 1.006 210 S CA 1.657 59.876 58.200 0.033 0.000 0.957 210 S CB -0.005 63.205 63.200 0.017 0.000 0.773 210 S HN 0.733 nan 8.310 nan 0.000 0.507 211 S N 0.073 115.788 115.700 0.025 0.000 2.558 211 S HA 0.213 4.683 4.470 -0.000 0.000 0.217 211 S C 0.514 175.125 174.600 0.018 0.000 0.975 211 S CA -0.186 58.023 58.200 0.015 0.000 0.912 211 S CB 0.135 63.339 63.200 0.006 0.000 0.776 211 S HN 0.091 nan 8.310 nan 0.000 0.526 212 K N 1.605 122.027 120.400 0.037 0.000 2.095 212 K HA 0.436 4.756 4.320 -0.000 0.000 0.252 212 K C -0.421 176.232 176.600 0.088 0.000 0.977 212 K CA -0.345 55.969 56.287 0.046 0.000 0.900 212 K CB 1.602 34.127 32.500 0.041 0.000 1.060 212 K HN 0.171 nan 8.250 nan 0.000 0.449 213 S N 1.838 117.619 115.700 0.135 0.000 2.525 213 S HA 0.242 4.712 4.470 -0.000 0.000 0.278 213 S C -1.728 173.076 174.600 0.341 0.000 1.234 213 S CA -1.653 56.666 58.200 0.199 0.000 1.058 213 S CB 0.644 63.959 63.200 0.193 0.000 0.983 213 S HN 0.286 nan 8.310 nan 0.000 0.495 214 P HA 0.174 nan 4.420 nan 0.000 0.247 214 P C 0.878 178.293 177.300 0.192 0.000 1.225 214 P CA 0.656 63.900 63.100 0.241 0.000 0.768 214 P CB -0.827 30.959 31.700 0.142 0.000 1.020 215 G N -0.578 108.271 108.800 0.081 0.000 2.693 215 G HA2 0.201 4.161 3.960 -0.000 0.000 0.226 215 G HA3 0.201 4.161 3.960 -0.000 0.000 0.226 215 G C -0.222 174.643 174.900 -0.057 0.000 1.354 215 G CA -0.535 44.385 45.100 -0.299 0.000 0.873 215 G HN 0.671 nan 8.290 nan 0.000 0.562 216 G N -2.912 105.893 108.800 0.008 0.000 2.358 216 G HA2 0.634 4.594 3.960 -0.000 0.000 0.301 216 G HA3 0.634 4.594 3.960 -0.000 0.000 0.301 216 G C 0.528 175.525 174.900 0.161 0.000 1.539 216 G CA 0.787 45.931 45.100 0.073 0.000 0.893 216 G HN 2.181 nan 8.290 nan 0.000 0.636 217 S N -1.049 114.731 115.700 0.133 0.000 2.603 217 S HA 0.112 4.582 4.470 -0.000 0.000 0.220 217 S C 1.254 175.894 174.600 0.065 0.000 0.967 217 S CA 0.944 59.195 58.200 0.086 0.000 0.920 217 S CB 0.185 63.432 63.200 0.078 0.000 0.773 217 S HN 0.830 nan 8.310 nan 0.000 0.529 218 S N 1.800 117.543 115.700 0.071 0.000 2.994 218 S HA 0.392 4.862 4.470 -0.000 0.000 0.247 218 S C 1.493 176.126 174.600 0.055 0.000 1.323 218 S CA -0.168 58.071 58.200 0.065 0.000 1.246 218 S CB 0.034 63.279 63.200 0.075 0.000 0.994 218 S HN 0.650 nan 8.310 nan 0.000 0.484 219 G N 2.297 111.126 108.800 0.048 0.000 2.404 219 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.214 219 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.214 219 G C 1.419 176.347 174.900 0.046 0.000 1.189 219 G CA 0.504 45.633 45.100 0.049 0.000 0.789 219 G HN 0.595 nan 8.290 nan 0.000 0.533 220 G N 0.514 109.328 108.800 0.024 0.000 2.442 220 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 220 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 220 G C 1.651 176.553 174.900 0.002 0.000 1.141 220 G CA 1.216 46.317 45.100 0.003 0.000 0.763 220 G HN 0.325 nan 8.290 nan 0.000 0.554 221 E N 0.672 120.878 120.200 0.010 0.000 2.049 221 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 221 E C 2.783 179.404 176.600 0.036 0.000 1.007 221 E CA 1.283 57.690 56.400 0.011 0.000 0.809 221 E CB -1.014 28.701 29.700 0.024 0.000 0.749 221 E HN 0.336 nan 8.360 nan 0.000 0.450 222 G N 0.838 109.676 108.800 0.062 0.000 2.421 222 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 222 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 222 G C 1.742 176.708 174.900 0.111 0.000 1.171 222 G CA 1.507 46.666 45.100 0.098 0.000 0.775 222 G HN 0.411 nan 8.290 nan 0.000 0.543 223 A N 0.128 123.004 122.820 0.094 0.000 1.978 223 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 223 A C 2.332 179.945 177.584 0.048 0.000 1.170 223 A CA 1.714 53.799 52.037 0.081 0.000 0.636 223 A CB -0.292 18.744 19.000 0.060 0.000 0.810 223 A HN 0.483 nan 8.150 nan 0.000 0.448 224 L N -0.993 120.252 121.223 0.036 0.000 2.249 224 L HA 0.163 4.503 4.340 -0.000 0.000 0.207 224 L C 2.086 178.989 176.870 0.055 0.000 1.090 224 L CA 1.168 56.028 54.840 0.033 0.000 0.802 224 L CB -0.213 41.852 42.059 0.009 0.000 0.947 224 L HN 0.368 nan 8.230 nan 0.000 0.453 225 I N -0.056 120.548 120.570 0.056 0.000 2.162 225 I HA -0.052 4.118 4.170 -0.000 0.000 0.238 225 I C 1.464 177.633 176.117 0.085 0.000 1.076 225 I CA 0.773 62.112 61.300 0.065 0.000 1.353 225 I CB -0.940 37.091 38.000 0.052 0.000 1.063 225 I HN 0.338 nan 8.210 nan 0.000 0.408 226 G N -0.074 108.792 108.800 0.110 0.000 2.491 226 G HA2 0.198 4.158 3.960 -0.000 0.000 0.238 226 G HA3 0.198 4.158 3.960 -0.000 0.000 0.238 226 G C 0.867 175.768 174.900 0.002 0.000 1.277 226 G CA 0.441 45.603 45.100 0.103 0.000 0.851 226 G HN 0.629 nan 8.290 nan 0.000 0.573 227 S N -0.470 115.167 115.700 -0.105 0.000 3.011 227 S HA -0.169 4.301 4.470 -0.000 0.000 0.278 227 S C 2.002 176.592 174.600 -0.018 0.000 1.300 227 S CA 1.500 59.633 58.200 -0.113 0.000 1.248 227 S CB -1.654 61.468 63.200 -0.130 0.000 1.517 227 S HN 3.006 nan 8.310 nan 0.000 0.685 228 G N 0.268 109.095 108.800 0.046 0.000 2.160 228 G HA2 0.053 4.013 3.960 -0.000 0.000 0.244 228 G HA3 0.053 4.013 3.960 -0.000 0.000 0.244 228 G C 1.153 176.189 174.900 0.225 0.000 1.022 228 G CA 0.734 45.909 45.100 0.124 0.000 0.741 228 G HN 1.927 nan 8.290 nan 0.000 0.508 229 G N -0.872 108.047 108.800 0.198 0.000 2.813 229 G HA2 0.428 4.388 3.960 -0.000 0.000 0.209 229 G HA3 0.428 4.388 3.960 -0.000 0.000 0.209 229 G C 0.564 175.691 174.900 0.378 0.000 1.150 229 G CA 1.456 46.726 45.100 0.283 0.000 0.785 229 G HN 1.657 nan 8.290 nan 0.000 0.535 230 S N -0.592 115.230 115.700 0.203 0.000 2.566 230 S HA 0.524 4.994 4.470 -0.000 0.000 0.273 230 S C -2.166 172.337 174.600 -0.161 0.000 1.157 230 S CA -0.951 57.220 58.200 -0.049 0.000 0.938 230 S CB 2.434 65.659 63.200 0.042 0.000 1.087 230 S HN -0.108 nan 8.310 nan 0.000 0.474 231 P HA 0.183 nan 4.420 nan 0.000 0.218 231 P C -0.080 177.161 177.300 -0.099 0.000 1.152 231 P CA 0.412 63.392 63.100 -0.201 0.000 0.826 231 P CB 0.122 31.655 31.700 -0.278 0.000 0.790 232 L N -1.089 120.066 121.223 -0.113 0.000 2.482 232 L HA 0.788 5.128 4.340 -0.000 0.000 0.263 232 L C -0.801 176.015 176.870 -0.090 0.000 0.957 232 L CA -0.648 54.141 54.840 -0.086 0.000 0.836 232 L CB 2.002 44.005 42.059 -0.093 0.000 1.324 232 L HN 0.031 nan 8.230 nan 0.000 0.406 233 G N 3.296 112.044 108.800 -0.087 0.000 2.660 233 G HA2 0.653 4.613 3.960 -0.000 0.000 0.294 233 G HA3 0.653 4.613 3.960 -0.000 0.000 0.294 233 G C -2.286 172.539 174.900 -0.126 0.000 1.369 233 G CA -0.602 44.432 45.100 -0.110 0.000 0.912 233 G HN 0.487 nan 8.290 nan 0.000 0.479 234 L N 0.256 121.355 121.223 -0.206 0.000 2.334 234 L HA 0.889 5.229 4.340 -0.000 0.000 0.273 234 L C 0.755 177.644 176.870 0.032 0.000 1.013 234 L CA -0.051 54.652 54.840 -0.228 0.000 0.816 234 L CB 2.029 43.693 42.059 -0.658 0.000 1.278 234 L HN 0.870 nan 8.230 nan 0.000 0.431 235 G N -0.303 108.632 108.800 0.226 0.000 2.725 235 G HA2 0.702 4.662 3.960 -0.000 0.000 0.288 235 G HA3 0.702 4.662 3.960 -0.000 0.000 0.288 235 G C -1.197 173.876 174.900 0.288 0.000 1.399 235 G CA -0.194 45.078 45.100 0.287 0.000 0.859 235 G HN 0.598 nan 8.290 nan 0.000 0.479 236 T N -1.907 112.735 114.554 0.146 0.000 2.942 236 T HA 0.736 5.086 4.350 -0.000 0.000 0.289 236 T C -1.534 173.190 174.700 0.040 0.000 1.044 236 T CA -0.764 61.371 62.100 0.059 0.000 1.023 236 T CB 2.676 71.518 68.868 -0.043 0.000 1.123 236 T HN 0.430 nan 8.240 nan 0.000 0.512 237 D N 0.710 121.123 120.400 0.020 0.000 2.470 237 D HA 0.277 4.917 4.640 -0.000 0.000 0.233 237 D C -0.258 176.038 176.300 -0.007 0.000 1.372 237 D CA -0.429 53.575 54.000 0.006 0.000 0.994 237 D CB 1.804 42.603 40.800 -0.002 0.000 1.377 237 D HN 0.625 nan 8.370 nan 0.000 0.586 238 I N 1.661 122.223 120.570 -0.013 0.000 4.181 238 I HA 0.258 4.428 4.170 -0.000 0.000 0.331 238 I C 1.247 177.336 176.117 -0.047 0.000 1.312 238 I CA 0.299 61.580 61.300 -0.032 0.000 1.146 238 I CB 0.769 38.744 38.000 -0.041 0.000 1.074 238 I HN 0.464 nan 8.210 nan 0.000 0.402 239 G N -0.748 108.035 108.800 -0.029 0.000 3.430 239 G HA2 0.329 4.289 3.960 -0.000 0.000 0.222 239 G HA3 0.329 4.289 3.960 -0.000 0.000 0.222 239 G C 0.813 175.696 174.900 -0.028 0.000 1.102 239 G CA 0.557 45.641 45.100 -0.027 0.000 0.927 239 G HN 0.355 nan 8.290 nan 0.000 0.597 240 G N -0.023 108.730 108.800 -0.077 0.000 2.456 240 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.208 240 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.208 240 G C 0.940 175.719 174.900 -0.202 0.000 1.004 240 G CA 0.602 45.511 45.100 -0.319 0.000 0.791 240 G HN 0.252 nan 8.290 nan 0.000 0.537 241 S N -0.182 115.523 115.700 0.009 0.000 2.522 241 S HA 0.201 4.671 4.470 -0.000 0.000 0.227 241 S C 2.189 176.815 174.600 0.044 0.000 0.986 241 S CA 0.911 59.166 58.200 0.091 0.000 0.929 241 S CB -0.076 63.177 63.200 0.088 0.000 0.769 241 S HN 0.516 nan 8.310 nan 0.000 0.529 242 I N 0.437 121.004 120.570 -0.006 0.000 2.585 242 I HA 0.009 4.178 4.170 -0.000 0.000 0.254 242 I C 2.404 178.499 176.117 -0.036 0.000 1.129 242 I CA 0.720 62.020 61.300 0.001 0.000 1.455 242 I CB -0.035 37.970 38.000 0.009 0.000 1.111 242 I HN 0.104 nan 8.210 nan 0.000 0.433 243 R N -0.112 120.308 120.500 -0.133 0.000 2.100 243 R HA 0.023 4.363 4.340 -0.000 0.000 0.220 243 R C 2.189 178.357 176.300 -0.220 0.000 1.091 243 R CA 0.926 56.911 56.100 -0.191 0.000 0.986 243 R CB -0.249 29.882 30.300 -0.283 0.000 0.888 243 R HN 0.104 nan 8.270 nan 0.000 0.444 244 F N 1.207 121.086 119.950 -0.119 0.000 2.043 244 F HA -0.134 4.393 4.527 0.000 0.000 0.297 244 F C -0.578 175.072 175.800 -0.250 0.000 1.121 244 F CA 1.240 59.065 58.000 -0.292 0.000 1.199 244 F CB -1.744 36.981 39.000 -0.459 0.000 0.968 244 F HN -0.006 nan 8.300 nan 0.000 0.478 245 P HA -0.057 nan 4.420 nan 0.000 0.221 245 P C 1.641 179.018 177.300 0.128 0.000 1.150 245 P CA 1.689 64.833 63.100 0.074 0.000 0.800 245 P CB -0.061 31.680 31.700 0.069 0.000 0.787 246 S N 0.418 116.175 115.700 0.095 0.000 2.344 246 S HA -0.171 4.299 4.470 -0.000 0.000 0.217 246 S C 2.144 176.830 174.600 0.144 0.000 1.033 246 S CA 1.618 59.878 58.200 0.100 0.000 1.017 246 S CB -1.333 61.898 63.200 0.052 0.000 0.941 246 S HN 0.154 nan 8.310 nan 0.000 0.430 247 A N 0.617 123.538 122.820 0.168 0.000 1.972 247 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 247 A C 1.836 179.614 177.584 0.323 0.000 1.169 247 A CA 1.282 53.451 52.037 0.220 0.000 0.635 247 A CB -0.683 18.467 19.000 0.250 0.000 0.810 247 A HN 0.421 nan 8.150 nan 0.000 0.446 248 F N -0.730 119.273 119.950 0.088 0.000 2.187 248 F HA -0.043 4.484 4.527 -0.000 0.000 0.295 248 F C 2.296 178.115 175.800 0.032 0.000 1.091 248 F CA 0.293 58.335 58.000 0.071 0.000 1.308 248 F CB -0.830 38.252 39.000 0.137 0.000 1.030 248 F HN 0.211 nan 8.300 nan 0.000 0.487 249 C N -0.285 119.199 119.300 0.308 0.000 2.697 249 C HA 0.495 4.955 4.460 -0.000 0.000 0.267 249 C C 1.659 176.859 174.990 0.350 0.000 1.278 249 C CA 0.092 59.327 59.018 0.361 0.000 1.708 249 C CB -1.176 26.776 27.740 0.354 0.000 1.860 249 C HN 0.720 nan 8.230 nan 0.000 0.589 250 G N 2.076 110.956 108.800 0.135 0.000 2.295 250 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.287 250 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.287 250 G C -0.264 174.734 174.900 0.164 0.000 1.055 250 G CA 0.782 45.929 45.100 0.077 0.000 0.922 250 G HN 0.745 nan 8.290 nan 0.000 0.503 251 I N -3.721 116.938 120.570 0.148 0.000 3.436 251 I HA 0.867 5.037 4.170 -0.000 0.000 0.300 251 I C 0.501 176.665 176.117 0.079 0.000 1.131 251 I CA -1.705 59.668 61.300 0.121 0.000 1.001 251 I CB 1.405 39.481 38.000 0.126 0.000 1.305 251 I HN 0.052 nan 8.210 nan 0.000 0.494 252 C N 1.295 120.631 119.300 0.061 0.000 2.358 252 C HA 0.934 5.394 4.460 -0.000 0.000 0.342 252 C C 0.476 175.485 174.990 0.031 0.000 1.234 252 C CA -0.075 58.967 59.018 0.040 0.000 1.969 252 C CB -0.022 27.739 27.740 0.035 0.000 2.346 252 C HN 1.028 nan 8.230 nan 0.000 0.525 253 G N 1.661 110.475 108.800 0.022 0.000 2.718 253 G HA2 0.654 4.614 3.960 -0.000 0.000 0.295 253 G HA3 0.654 4.614 3.960 -0.000 0.000 0.295 253 G C -2.124 172.783 174.900 0.010 0.000 1.421 253 G CA -0.352 44.756 45.100 0.014 0.000 0.902 253 G HN 0.725 nan 8.290 nan 0.000 0.501 254 L N 0.609 121.837 121.223 0.008 0.000 2.436 254 L HA 0.721 5.061 4.340 -0.000 0.000 0.268 254 L C -0.461 176.418 176.870 0.015 0.000 0.974 254 L CA -0.817 54.031 54.840 0.013 0.000 0.826 254 L CB 2.094 44.164 42.059 0.019 0.000 1.291 254 L HN 0.458 nan 8.230 nan 0.000 0.406 255 K N 6.789 127.198 120.400 0.014 0.000 2.292 255 K HA 0.531 4.851 4.320 -0.000 0.000 0.270 255 K C -2.632 173.978 176.600 0.018 0.000 1.062 255 K CA -1.733 54.564 56.287 0.016 0.000 0.916 255 K CB 1.317 33.821 32.500 0.006 0.000 1.166 255 K HN 0.332 nan 8.250 nan 0.000 0.458 256 P HA 0.080 nan 4.420 nan 0.000 0.293 256 P C -0.645 176.631 177.300 -0.040 0.000 1.298 256 P CA -0.390 62.717 63.100 0.012 0.000 0.757 256 P CB 0.202 31.928 31.700 0.044 0.000 1.262 257 T N -0.215 114.265 114.554 -0.125 0.000 2.946 257 T HA 0.108 4.458 4.350 -0.000 0.000 0.311 257 T C 1.871 176.456 174.700 -0.191 0.000 1.063 257 T CA 0.662 62.580 62.100 -0.303 0.000 1.139 257 T CB -0.066 68.330 68.868 -0.788 0.000 0.994 257 T HN 0.565 nan 8.240 nan 0.000 0.547 258 G N 1.538 110.236 108.800 -0.170 0.000 2.440 258 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 258 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 258 G C 1.130 176.045 174.900 0.024 0.000 1.154 258 G CA 0.311 45.383 45.100 -0.047 0.000 0.767 258 G HN 0.792 nan 8.290 nan 0.000 0.552 259 N N -0.405 118.321 118.700 0.043 0.000 2.276 259 N HA 0.066 4.806 4.740 -0.000 0.000 0.212 259 N C 1.956 177.691 175.510 0.375 0.000 1.127 259 N CA -0.347 52.840 53.050 0.227 0.000 0.834 259 N CB 0.122 38.815 38.487 0.343 0.000 1.014 259 N HN 0.063 nan 8.380 nan 0.000 0.491 260 R N 0.259 120.932 120.500 0.289 0.000 2.066 260 R HA 0.114 4.454 4.340 -0.000 0.000 0.232 260 R C 0.427 176.908 176.300 0.301 0.000 1.131 260 R CA 1.372 57.704 56.100 0.387 0.000 0.955 260 R CB -0.019 30.444 30.300 0.271 0.000 0.851 260 R HN 0.149 nan 8.270 nan 0.000 0.432 261 L N -1.186 120.161 121.223 0.206 0.000 2.286 261 L HA 0.467 4.807 4.340 -0.000 0.000 0.265 261 L C 0.218 177.180 176.870 0.152 0.000 1.012 261 L CA -1.183 53.758 54.840 0.169 0.000 0.818 261 L CB 1.456 43.586 42.059 0.119 0.000 1.337 261 L HN -0.089 nan 8.230 nan 0.000 0.438 262 S N -0.506 115.271 115.700 0.129 0.000 2.592 262 S HA 0.218 4.688 4.470 -0.000 0.000 0.271 262 S C 0.333 174.999 174.600 0.109 0.000 1.326 262 S CA -0.268 58.001 58.200 0.115 0.000 1.024 262 S CB 0.648 63.904 63.200 0.094 0.000 0.921 262 S HN 0.660 nan 8.310 nan 0.000 0.527 263 K N 2.047 122.501 120.400 0.090 0.000 2.438 263 K HA 0.164 4.484 4.320 -0.000 0.000 0.205 263 K C 1.498 178.132 176.600 0.056 0.000 1.033 263 K CA -0.066 56.263 56.287 0.070 0.000 1.089 263 K CB 0.283 32.822 32.500 0.066 0.000 0.857 263 K HN 0.525 nan 8.250 nan 0.000 0.522 264 S N 0.148 115.882 115.700 0.058 0.000 2.402 264 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 264 S C 1.636 176.251 174.600 0.025 0.000 1.021 264 S CA 1.459 59.681 58.200 0.036 0.000 0.974 264 S CB 0.044 63.266 63.200 0.036 0.000 0.800 264 S HN 0.497 nan 8.310 nan 0.000 0.484 265 G N 0.243 109.070 108.800 0.044 0.000 3.126 265 G HA2 0.315 4.275 3.960 -0.000 0.000 0.224 265 G HA3 0.315 4.275 3.960 -0.000 0.000 0.224 265 G C -0.054 174.869 174.900 0.040 0.000 1.142 265 G CA -0.341 44.786 45.100 0.045 0.000 0.759 265 G HN 0.361 nan 8.290 nan 0.000 0.550 266 L N 1.150 122.383 121.223 0.016 0.000 2.360 266 L HA 0.335 4.675 4.340 -0.000 0.000 0.276 266 L C 0.461 177.374 176.870 0.072 0.000 1.121 266 L CA -0.302 54.512 54.840 -0.042 0.000 0.845 266 L CB 1.223 43.220 42.059 -0.105 0.000 1.143 266 L HN -0.103 nan 8.230 nan 0.000 0.452 267 K N 2.241 122.664 120.400 0.039 0.000 2.339 267 K HA 0.544 4.864 4.320 -0.000 0.000 0.286 267 K C 0.015 176.617 176.600 0.002 0.000 1.050 267 K CA 0.169 56.521 56.287 0.108 0.000 0.956 267 K CB 0.624 33.155 32.500 0.052 0.000 0.990 267 K HN 0.700 nan 8.250 nan 0.000 0.475 268 G N 1.301 110.056 108.800 -0.075 0.000 2.714 268 G HA2 0.291 4.251 3.960 -0.000 0.000 0.292 268 G HA3 0.291 4.251 3.960 -0.000 0.000 0.292 268 G C 0.457 175.040 174.900 -0.529 0.000 1.308 268 G CA -0.453 44.461 45.100 -0.310 0.000 0.964 268 G HN 0.863 nan 8.290 nan 0.000 0.484 269 C N -1.118 117.971 119.300 -0.351 0.000 2.611 269 C HA 0.487 4.946 4.460 -0.000 0.000 0.282 269 C C 1.132 175.946 174.990 -0.293 0.000 1.321 269 C CA 0.423 59.266 59.018 -0.291 0.000 1.747 269 C CB -1.121 26.525 27.740 -0.157 0.000 2.124 269 C HN 0.800 nan 8.230 nan 0.000 0.531 270 V N -0.246 119.525 119.914 -0.238 0.000 2.630 270 V HA 0.751 4.871 4.120 -0.000 0.000 0.305 270 V C -1.338 174.560 176.094 -0.327 0.000 1.046 270 V CA -0.552 61.647 62.300 -0.168 0.000 0.934 270 V CB 1.207 33.065 31.823 0.059 0.000 1.003 270 V HN 0.415 nan 8.190 nan 0.000 0.451 271 Y N 2.332 122.667 120.300 0.059 0.000 2.536 271 Y HA 0.791 5.341 4.550 0.000 0.000 0.347 271 Y C 1.094 177.023 175.900 0.047 0.000 1.000 271 Y CA -0.146 57.980 58.100 0.043 0.000 1.051 271 Y CB 2.305 40.785 38.460 0.033 0.000 1.259 271 Y HN 1.159 nan 8.280 nan 0.000 0.468 272 G N 0.961 109.895 108.800 0.223 0.000 2.157 272 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 272 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 272 G C -0.082 174.883 174.900 0.109 0.000 0.979 272 G CA -0.118 45.068 45.100 0.144 0.000 0.650 272 G HN 0.539 nan 8.290 nan 0.000 0.529 273 Q N 1.000 120.857 119.800 0.095 0.000 2.322 273 Q HA 0.528 4.868 4.340 -0.000 0.000 0.256 273 Q C 1.283 177.316 176.000 0.054 0.000 0.960 273 Q CA 0.629 56.471 55.803 0.065 0.000 0.934 273 Q CB 1.059 29.821 28.738 0.040 0.000 1.200 273 Q HN 0.544 nan 8.270 nan 0.000 0.435 274 T N -0.345 114.243 114.554 0.057 0.000 2.964 274 T HA 0.333 4.683 4.350 -0.000 0.000 0.249 274 T C 0.680 175.403 174.700 0.039 0.000 1.000 274 T CA 0.363 62.494 62.100 0.053 0.000 0.992 274 T CB 0.246 69.154 68.868 0.067 0.000 1.087 274 T HN 0.510 nan 8.240 nan 0.000 0.489 275 A N 2.413 125.255 122.820 0.037 0.000 2.473 275 A HA 0.573 4.893 4.320 -0.000 0.000 0.282 275 A C 0.304 177.876 177.584 -0.019 0.000 1.163 275 A CA -0.263 51.784 52.037 0.016 0.000 0.827 275 A CB -1.144 17.868 19.000 0.021 0.000 1.098 275 A HN 1.217 nan 8.150 nan 0.000 0.515 276 V N 2.801 122.699 119.914 -0.028 0.000 3.136 276 V HA -0.126 3.994 4.120 -0.000 0.000 0.448 276 V C -0.482 175.587 176.094 -0.042 0.000 0.682 276 V CA -0.018 62.249 62.300 -0.055 0.000 1.979 276 V CB -1.460 30.304 31.823 -0.099 0.000 2.455 276 V HN 0.983 nan 8.190 nan 0.000 0.492 277 Q N 2.992 122.773 119.800 -0.033 0.000 2.241 277 Q HA 0.659 4.999 4.340 -0.000 0.000 0.254 277 Q C -0.252 175.739 176.000 -0.016 0.000 0.917 277 Q CA -0.804 54.990 55.803 -0.015 0.000 0.919 277 Q CB 2.245 30.975 28.738 -0.014 0.000 1.237 277 Q HN 0.747 nan 8.270 nan 0.000 0.434 278 L N 2.175 123.396 121.223 -0.003 0.000 2.350 278 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 278 L C -0.800 176.077 176.870 0.012 0.000 1.099 278 L CA 0.369 55.209 54.840 0.001 0.000 0.808 278 L CB 1.154 43.216 42.059 0.005 0.000 1.149 278 L HN 0.622 nan 8.230 nan 0.000 0.442 279 S N 4.630 120.339 115.700 0.015 0.000 2.536 279 S HA 0.726 5.196 4.470 -0.000 0.000 0.271 279 S C -0.878 173.757 174.600 0.057 0.000 1.134 279 S CA -0.994 57.226 58.200 0.034 0.000 0.897 279 S CB 1.158 64.371 63.200 0.022 0.000 1.094 279 S HN 0.690 nan 8.310 nan 0.000 0.473 280 L N 0.050 121.331 121.223 0.096 0.000 2.334 280 L HA 1.067 5.407 4.340 -0.000 0.000 0.275 280 L C 0.319 177.266 176.870 0.128 0.000 1.036 280 L CA -0.503 54.438 54.840 0.168 0.000 0.807 280 L CB 0.843 43.085 42.059 0.306 0.000 1.231 280 L HN 0.976 nan 8.230 nan 0.000 0.438 281 G N 0.638 109.509 108.800 0.119 0.000 2.623 281 G HA2 0.647 4.607 3.960 -0.000 0.000 0.290 281 G HA3 0.647 4.607 3.960 -0.000 0.000 0.290 281 G C -3.301 171.610 174.900 0.019 0.000 1.437 281 G CA -1.027 44.104 45.100 0.051 0.000 0.798 281 G HN 0.483 nan 8.290 nan 0.000 0.488 282 P HA 0.556 nan 4.420 nan 0.000 0.281 282 P C -0.884 176.403 177.300 -0.021 0.000 1.249 282 P CA -0.362 62.712 63.100 -0.043 0.000 0.810 282 P CB 1.553 33.211 31.700 -0.070 0.000 1.008 283 M N 1.555 121.140 119.600 -0.025 0.000 2.457 283 M HA 0.732 5.212 4.480 -0.000 0.000 0.300 283 M C -0.569 175.725 176.300 -0.009 0.000 1.141 283 M CA -0.295 55.002 55.300 -0.004 0.000 0.901 283 M CB 2.699 35.306 32.600 0.011 0.000 1.687 283 M HN 0.502 nan 8.290 nan 0.000 0.449 284 A N 1.720 124.545 122.820 0.009 0.000 2.540 284 A HA 0.596 4.916 4.320 -0.000 0.000 0.291 284 A C -0.234 177.374 177.584 0.040 0.000 1.083 284 A CA -0.754 51.291 52.037 0.013 0.000 0.650 284 A CB 1.267 20.265 19.000 -0.004 0.000 1.292 284 A HN 0.896 nan 8.150 nan 0.000 0.435 285 R N -0.263 120.267 120.500 0.049 0.000 2.073 285 R HA -0.022 4.318 4.340 -0.000 0.000 0.229 285 R C -0.456 175.881 176.300 0.062 0.000 1.120 285 R CA 1.931 58.072 56.100 0.069 0.000 0.967 285 R CB -0.151 30.197 30.300 0.079 0.000 0.862 285 R HN 0.871 nan 8.270 nan 0.000 0.436 286 D N -1.694 118.736 120.400 0.051 0.000 2.575 286 D HA 0.106 4.746 4.640 -0.000 0.000 0.236 286 D C 0.651 176.979 176.300 0.047 0.000 1.075 286 D CA -0.686 53.344 54.000 0.051 0.000 0.860 286 D CB 1.867 42.701 40.800 0.056 0.000 1.475 286 D HN -0.141 nan 8.370 nan 0.000 0.474 287 V N -0.020 119.929 119.914 0.058 0.000 3.078 287 V HA -0.129 3.991 4.120 -0.000 0.000 0.265 287 V C 1.273 177.417 176.094 0.083 0.000 1.122 287 V CA 1.415 63.755 62.300 0.067 0.000 1.141 287 V CB -0.712 31.163 31.823 0.088 0.000 0.735 287 V HN 0.581 nan 8.190 nan 0.000 0.498 288 E N 1.084 121.346 120.200 0.104 0.000 2.216 288 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 288 E C 2.317 178.930 176.600 0.023 0.000 0.988 288 E CA 1.330 57.802 56.400 0.120 0.000 0.834 288 E CB -0.111 29.675 29.700 0.143 0.000 0.772 288 E HN 0.810 nan 8.360 nan 0.000 0.479 289 S N 0.342 116.045 115.700 0.005 0.000 2.406 289 S HA -0.037 4.433 4.470 -0.000 0.000 0.228 289 S C 1.898 176.448 174.600 -0.084 0.000 1.020 289 S CA 0.542 58.721 58.200 -0.034 0.000 0.965 289 S CB -0.119 63.070 63.200 -0.018 0.000 0.798 289 S HN 0.193 nan 8.310 nan 0.000 0.488 290 L N 1.314 122.490 121.223 -0.078 0.000 2.093 290 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 290 L C 2.878 179.610 176.870 -0.229 0.000 1.085 290 L CA 1.146 55.918 54.840 -0.114 0.000 0.755 290 L CB -0.852 41.172 42.059 -0.059 0.000 0.904 290 L HN 0.354 nan 8.230 nan 0.000 0.435 291 A N 0.043 122.695 122.820 -0.281 0.000 1.930 291 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 291 A C 2.323 179.573 177.584 -0.556 0.000 1.175 291 A CA 1.160 52.874 52.037 -0.538 0.000 0.627 291 A CB -0.527 18.081 19.000 -0.654 0.000 0.815 291 A HN 0.342 nan 8.150 nan 0.000 0.443 292 L N -0.914 120.138 121.223 -0.286 0.000 2.027 292 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 292 L C 2.755 179.483 176.870 -0.236 0.000 1.074 292 L CA 1.796 56.513 54.840 -0.206 0.000 0.745 292 L CB -0.413 41.591 42.059 -0.092 0.000 0.898 292 L HN 0.606 nan 8.230 nan 0.000 0.433 293 C N -0.050 119.119 119.300 -0.217 0.000 2.446 293 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 293 C C 2.663 177.510 174.990 -0.238 0.000 1.275 293 C CA 0.314 59.219 59.018 -0.189 0.000 1.727 293 C CB -0.825 26.825 27.740 -0.150 0.000 2.010 293 C HN 0.452 nan 8.230 nan 0.000 0.486 294 L N 0.562 121.580 121.223 -0.341 0.000 2.456 294 L HA -0.074 4.266 4.340 -0.000 0.000 0.224 294 L C 2.424 178.971 176.870 -0.538 0.000 1.148 294 L CA 1.479 56.082 54.840 -0.396 0.000 0.825 294 L CB -0.763 41.029 42.059 -0.444 0.000 0.937 294 L HN 0.517 nan 8.230 nan 0.000 0.450 295 K N -0.543 119.498 120.400 -0.598 0.000 2.202 295 K HA 0.032 4.352 4.320 -0.000 0.000 0.201 295 K C 2.079 178.594 176.600 -0.142 0.000 1.051 295 K CA 0.780 56.825 56.287 -0.403 0.000 0.977 295 K CB 0.251 32.540 32.500 -0.351 0.000 0.792 295 K HN 0.174 nan 8.250 nan 0.000 0.469 296 A N 0.919 123.650 122.820 -0.148 0.000 1.930 296 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 296 A C 1.841 179.367 177.584 -0.096 0.000 1.175 296 A CA 0.989 52.974 52.037 -0.088 0.000 0.627 296 A CB -0.316 18.633 19.000 -0.086 0.000 0.815 296 A HN 0.214 nan 8.150 nan 0.000 0.443 297 L N -0.670 120.477 121.223 -0.127 0.000 2.109 297 L HA 0.109 4.449 4.340 -0.000 0.000 0.207 297 L C 1.161 177.920 176.870 -0.184 0.000 1.086 297 L CA 1.148 55.907 54.840 -0.134 0.000 0.760 297 L CB -0.734 41.258 42.059 -0.111 0.000 0.910 297 L HN 0.305 nan 8.230 nan 0.000 0.437 298 L N 0.764 121.919 121.223 -0.113 0.000 2.480 298 L HA 0.134 4.474 4.340 -0.000 0.000 0.243 298 L C -0.125 176.701 176.870 -0.073 0.000 1.315 298 L CA -0.553 54.245 54.840 -0.070 0.000 1.231 298 L CB -0.516 41.698 42.059 0.259 0.000 1.444 298 L HN 0.330 nan 8.230 nan 0.000 0.409 299 C N -2.469 116.604 119.300 -0.379 0.000 2.971 299 C HA 0.692 5.152 4.460 -0.000 0.000 0.310 299 C C 1.534 176.345 174.990 -0.297 0.000 1.285 299 C CA -0.195 58.735 59.018 -0.146 0.000 1.593 299 C CB 1.325 29.053 27.740 -0.021 0.000 2.076 299 C HN 0.634 nan 8.230 nan 0.000 0.472 300 E N -0.873 119.334 120.200 0.010 0.000 2.331 300 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 300 E C 1.573 178.135 176.600 -0.063 0.000 1.008 300 E CA 1.896 58.337 56.400 0.070 0.000 0.843 300 E CB -0.989 28.740 29.700 0.049 0.000 0.761 300 E HN 0.870 nan 8.360 nan 0.000 0.507 301 H N -0.773 118.246 119.070 -0.086 0.000 2.290 301 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 301 H C 2.387 177.638 175.328 -0.128 0.000 1.087 301 H CA 1.853 57.847 56.048 -0.089 0.000 1.291 301 H CB -0.371 29.334 29.762 -0.096 0.000 1.369 301 H HN 0.441 nan 8.280 nan 0.000 0.492 302 L N 0.441 121.579 121.223 -0.141 0.000 2.072 302 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 302 L C 1.710 178.484 176.870 -0.160 0.000 1.079 302 L CA 1.176 55.876 54.840 -0.232 0.000 0.752 302 L CB -0.492 41.317 42.059 -0.416 0.000 0.906 302 L HN -0.034 nan 8.230 nan 0.000 0.436 303 F N -0.895 119.085 119.950 0.050 0.000 2.722 303 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 303 F C 2.020 177.832 175.800 0.020 0.000 1.175 303 F CA 0.899 58.917 58.000 0.030 0.000 1.462 303 F CB -1.339 37.672 39.000 0.017 0.000 1.111 303 F HN 0.081 nan 8.300 nan 0.000 0.592 304 T N -1.111 113.528 114.554 0.142 0.000 3.098 304 T HA 0.253 4.603 4.350 -0.000 0.000 0.246 304 T C 0.748 175.487 174.700 0.064 0.000 0.983 304 T CA -0.084 62.070 62.100 0.090 0.000 1.094 304 T CB -0.060 68.843 68.868 0.058 0.000 1.035 304 T HN -0.137 nan 8.240 nan 0.000 0.456 305 L N 3.565 124.820 121.223 0.054 0.000 2.462 305 L HA 0.360 4.700 4.340 -0.000 0.000 0.283 305 L C -0.533 176.366 176.870 0.049 0.000 1.166 305 L CA -0.002 54.862 54.840 0.041 0.000 0.964 305 L CB -0.573 41.502 42.059 0.027 0.000 1.294 305 L HN 0.201 nan 8.230 nan 0.000 0.449 306 D N 1.858 122.294 120.400 0.060 0.000 3.218 306 D HA -0.071 4.569 4.640 -0.000 0.000 0.220 306 D C -2.030 174.336 176.300 0.111 0.000 1.005 306 D CA -0.304 53.742 54.000 0.077 0.000 0.957 306 D CB 0.084 40.931 40.800 0.078 0.000 0.904 306 D HN 0.220 nan 8.370 nan 0.000 0.415 307 P HA -0.026 nan 4.420 nan 0.000 0.244 307 P C 1.329 178.673 177.300 0.073 0.000 1.211 307 P CA 1.166 64.318 63.100 0.087 0.000 0.760 307 P CB 0.073 31.805 31.700 0.054 0.000 0.961 308 T N -4.920 109.683 114.554 0.083 0.000 3.043 308 T HA 0.050 4.400 4.350 -0.000 0.000 0.263 308 T C 0.800 175.559 174.700 0.098 0.000 1.094 308 T CA 0.098 62.243 62.100 0.075 0.000 1.127 308 T CB -0.746 68.165 68.868 0.073 0.000 0.905 308 T HN -0.184 nan 8.240 nan 0.000 0.490 309 V N 5.081 125.082 119.914 0.144 0.000 2.479 309 V HA 0.247 4.367 4.120 -0.000 0.000 0.281 309 V C -2.055 174.095 176.094 0.093 0.000 1.031 309 V CA -1.888 60.527 62.300 0.192 0.000 1.038 309 V CB 0.414 32.427 31.823 0.317 0.000 0.981 309 V HN 0.370 nan 8.190 nan 0.000 0.478 310 P HA 0.174 nan 4.420 nan 0.000 0.271 310 P C -2.524 174.533 177.300 -0.405 0.000 1.233 310 P CA -1.729 61.243 63.100 -0.213 0.000 0.764 310 P CB 0.122 31.620 31.700 -0.336 0.000 0.825 311 P HA 0.165 nan 4.420 nan 0.000 0.249 311 P C -0.428 176.247 177.300 -1.041 0.000 1.737 311 P CA 0.240 62.434 63.100 -1.510 0.000 1.128 311 P CB 0.005 31.140 31.700 -0.941 0.000 1.942 312 L N 5.308 126.091 121.223 -0.734 0.000 2.264 312 L HA 0.375 4.715 4.340 -0.000 0.000 0.287 312 L C -1.836 175.042 176.870 0.012 0.000 1.039 312 L CA -2.305 52.380 54.840 -0.258 0.000 0.829 312 L CB 1.619 43.603 42.059 -0.125 0.000 1.211 312 L HN 0.074 nan 8.230 nan 0.000 0.427 313 P HA 0.003 nan 4.420 nan 0.000 0.274 313 P C -0.670 176.775 177.300 0.240 0.000 1.237 313 P CA -0.396 62.838 63.100 0.223 0.000 0.793 313 P CB 0.682 32.462 31.700 0.132 0.000 0.977 314 F N 2.824 122.848 119.950 0.124 0.000 2.502 314 F HA 0.144 4.671 4.527 -0.000 0.000 0.371 314 F C 0.985 176.828 175.800 0.073 0.000 1.083 314 F CA -0.172 57.879 58.000 0.084 0.000 1.174 314 F CB 0.168 39.202 39.000 0.057 0.000 1.096 314 F HN 0.123 nan 8.300 nan 0.000 0.545 315 R N 5.267 125.517 120.500 -0.417 0.000 2.308 315 R HA 0.033 4.373 4.340 -0.000 0.000 0.325 315 R C 1.167 177.206 176.300 -0.434 0.000 1.161 315 R CA -0.160 55.756 56.100 -0.306 0.000 1.022 315 R CB 0.464 30.648 30.300 -0.194 0.000 1.091 315 R HN 0.704 nan 8.270 nan 0.000 0.497 316 E N 2.768 122.844 120.200 -0.206 0.000 2.097 316 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 316 E C 1.652 178.253 176.600 0.001 0.000 1.000 316 E CA 1.908 58.294 56.400 -0.023 0.000 0.804 316 E CB 0.262 30.020 29.700 0.096 0.000 0.740 316 E HN 0.587 nan 8.360 nan 0.000 0.454 317 E N -0.030 120.152 120.200 -0.030 0.000 2.160 317 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 317 E C 2.084 178.668 176.600 -0.027 0.000 0.991 317 E CA 1.434 57.822 56.400 -0.021 0.000 0.810 317 E CB -0.365 29.322 29.700 -0.021 0.000 0.742 317 E HN 0.267 nan 8.360 nan 0.000 0.466 318 V N 0.501 120.386 119.914 -0.048 0.000 2.535 318 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 318 V C 2.236 178.344 176.094 0.024 0.000 1.045 318 V CA 1.426 63.709 62.300 -0.028 0.000 1.058 318 V CB -0.836 30.955 31.823 -0.054 0.000 0.689 318 V HN 0.206 nan 8.190 nan 0.000 0.461 319 Y N 1.683 121.907 120.300 -0.127 0.000 2.181 319 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 319 Y C 2.513 178.426 175.900 0.021 0.000 1.146 319 Y CA 1.587 59.664 58.100 -0.038 0.000 1.164 319 Y CB -0.103 38.334 38.460 -0.037 0.000 0.982 319 Y HN 0.064 nan 8.280 nan 0.000 0.515 320 R N -0.095 120.309 120.500 -0.160 0.000 2.276 320 R HA 0.076 4.416 4.340 -0.000 0.000 0.196 320 R C 0.962 177.182 176.300 -0.133 0.000 0.961 320 R CA 0.423 56.385 56.100 -0.229 0.000 1.024 320 R CB -0.209 30.039 30.300 -0.087 0.000 0.940 320 R HN 0.137 nan 8.270 nan 0.000 0.480 321 S N 1.247 116.901 115.700 -0.076 0.000 2.549 321 S HA 0.013 4.483 4.470 -0.000 0.000 0.286 321 S C 0.828 175.413 174.600 -0.024 0.000 1.314 321 S CA -0.168 58.011 58.200 -0.034 0.000 1.062 321 S CB 0.556 63.750 63.200 -0.010 0.000 0.865 321 S HN 0.355 nan 8.310 nan 0.000 0.498 322 S N 2.042 117.737 115.700 -0.009 0.000 2.843 322 S HA 0.352 4.822 4.470 -0.000 0.000 0.249 322 S C 0.482 175.093 174.600 0.019 0.000 1.047 322 S CA -0.422 57.786 58.200 0.014 0.000 1.042 322 S CB -0.013 63.186 63.200 -0.002 0.000 0.936 322 S HN 0.941 nan 8.310 nan 0.000 0.531 323 R N 2.869 123.380 120.500 0.019 0.000 2.522 323 R HA 0.528 4.868 4.340 -0.000 0.000 0.284 323 R C -2.606 173.717 176.300 0.039 0.000 1.032 323 R CA -1.099 55.009 56.100 0.014 0.000 1.049 323 R CB -1.448 28.859 30.300 0.013 0.000 0.956 323 R HN 0.475 nan 8.270 nan 0.000 0.422 324 P HA 0.295 nan 4.420 nan 0.000 0.275 324 P C -0.938 176.415 177.300 0.089 0.000 1.227 324 P CA -0.302 62.783 63.100 -0.025 0.000 0.781 324 P CB 0.709 32.329 31.700 -0.133 0.000 0.906 325 L N 3.061 124.457 121.223 0.288 0.000 2.325 325 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 325 L C 1.035 177.960 176.870 0.091 0.000 1.023 325 L CA -0.834 54.114 54.840 0.181 0.000 0.811 325 L CB 1.315 43.475 42.059 0.169 0.000 1.249 325 L HN 0.171 nan 8.230 nan 0.000 0.431 326 R N 2.271 122.759 120.500 -0.019 0.000 2.210 326 R HA 0.439 4.779 4.340 -0.000 0.000 0.338 326 R C -1.177 175.000 176.300 -0.206 0.000 1.062 326 R CA -0.448 55.604 56.100 -0.080 0.000 0.902 326 R CB 1.031 31.276 30.300 -0.092 0.000 1.050 326 R HN 0.322 nan 8.270 nan 0.000 0.461 327 V N 2.827 122.634 119.914 -0.179 0.000 2.376 327 V HA 0.303 4.423 4.120 -0.000 0.000 0.287 327 V C 0.794 176.780 176.094 -0.181 0.000 1.015 327 V CA -0.971 61.161 62.300 -0.280 0.000 0.834 327 V CB 1.603 33.312 31.823 -0.190 0.000 1.001 327 V HN 0.926 nan 8.190 nan 0.000 0.428 328 G N 3.923 112.519 108.800 -0.339 0.000 2.544 328 G HA2 0.425 4.385 3.960 -0.000 0.000 0.242 328 G HA3 0.425 4.385 3.960 -0.000 0.000 0.242 328 G C -0.852 174.068 174.900 0.033 0.000 1.247 328 G CA 0.080 45.075 45.100 -0.175 0.000 0.840 328 G HN 0.982 nan 8.290 nan 0.000 0.578 329 Y N -0.148 120.155 120.300 0.006 0.000 2.562 329 Y HA 0.718 5.268 4.550 -0.000 0.000 0.345 329 Y C -1.177 174.801 175.900 0.130 0.000 1.045 329 Y CA -2.069 56.022 58.100 -0.015 0.000 1.028 329 Y CB 1.475 39.936 38.460 0.001 0.000 1.297 329 Y HN 0.812 nan 8.280 nan 0.000 0.463 330 Y N -0.524 119.862 120.300 0.143 0.000 2.562 330 Y HA 0.633 5.183 4.550 -0.000 0.000 0.345 330 Y C -0.010 176.044 175.900 0.257 0.000 1.045 330 Y CA -1.294 56.857 58.100 0.085 0.000 1.028 330 Y CB 2.030 40.537 38.460 0.079 0.000 1.297 330 Y HN 0.660 nan 8.280 nan 0.000 0.463 331 E N 0.511 120.985 120.200 0.456 0.000 2.158 331 E HA 0.042 4.392 4.350 -0.000 0.000 0.191 331 E C 0.138 177.012 176.600 0.456 0.000 0.982 331 E CA 1.332 57.961 56.400 0.381 0.000 0.823 331 E CB 0.444 30.315 29.700 0.285 0.000 0.766 331 E HN 0.652 nan 8.360 nan 0.000 0.468 332 T N -0.754 114.099 114.554 0.498 0.000 2.868 332 T HA 0.109 4.459 4.350 -0.000 0.000 0.306 332 T C -0.922 173.874 174.700 0.160 0.000 1.224 332 T CA -0.667 61.722 62.100 0.481 0.000 1.012 332 T CB 1.282 70.389 68.868 0.398 0.000 1.221 332 T HN -0.021 nan 8.240 nan 0.000 0.499 333 D N 1.599 122.027 120.400 0.046 0.000 2.349 333 D HA 0.087 4.727 4.640 -0.000 0.000 0.224 333 D C 0.675 176.883 176.300 -0.152 0.000 1.029 333 D CA 0.225 54.044 54.000 -0.300 0.000 0.879 333 D CB -0.740 39.771 40.800 -0.482 0.000 0.906 333 D HN 0.823 nan 8.370 nan 0.000 0.528 334 N N -2.514 116.143 118.700 -0.072 0.000 2.828 334 N HA -0.322 4.418 4.740 -0.000 0.000 0.248 334 N C -0.160 175.337 175.510 -0.022 0.000 1.044 334 N CA 1.112 54.019 53.050 -0.239 0.000 0.851 334 N CB -1.637 36.676 38.487 -0.291 0.000 1.136 334 N HN 0.376 nan 8.380 nan 0.000 0.572 335 Y N -0.018 120.357 120.300 0.125 0.000 2.972 335 Y HA 0.259 4.809 4.550 0.000 0.000 0.229 335 Y C 0.565 176.760 175.900 0.493 0.000 0.980 335 Y CA 0.674 58.971 58.100 0.329 0.000 1.475 335 Y CB 0.623 39.134 38.460 0.085 0.000 1.459 335 Y HN -0.053 nan 8.280 nan 0.000 0.460 336 T N 3.316 118.169 114.554 0.499 0.000 2.780 336 T HA 0.226 4.576 4.350 -0.000 0.000 0.294 336 T C -0.297 174.705 174.700 0.504 0.000 0.949 336 T CA -0.402 61.987 62.100 0.482 0.000 1.074 336 T CB 0.577 69.745 68.868 0.501 0.000 0.910 336 T HN 0.247 nan 8.240 nan 0.000 0.501 337 M N 5.858 125.587 119.600 0.215 0.000 2.252 337 M HA 0.196 4.676 4.480 -0.000 0.000 0.348 337 M C -2.290 174.169 176.300 0.265 0.000 1.334 337 M CA -1.097 54.130 55.300 -0.121 0.000 1.071 337 M CB 0.441 32.534 32.600 -0.846 0.000 1.763 337 M HN 0.234 nan 8.290 nan 0.000 0.452 338 P HA 0.134 nan 4.420 nan 0.000 0.271 338 P C -1.132 176.344 177.300 0.294 0.000 1.218 338 P CA -0.409 62.842 63.100 0.251 0.000 0.780 338 P CB 0.538 32.346 31.700 0.181 0.000 0.901 339 S N 3.229 119.082 115.700 0.255 0.000 2.573 339 S HA 0.094 4.564 4.470 -0.000 0.000 0.277 339 S C -1.454 173.225 174.600 0.131 0.000 1.346 339 S CA -0.702 57.622 58.200 0.207 0.000 1.034 339 S CB -0.607 62.632 63.200 0.064 0.000 0.879 339 S HN 0.356 nan 8.310 nan 0.000 0.528 340 P HA -0.248 nan 4.420 nan 0.000 0.217 340 P C 1.512 178.833 177.300 0.036 0.000 1.158 340 P CA 2.224 65.363 63.100 0.065 0.000 0.887 340 P CB -0.365 31.367 31.700 0.055 0.000 0.792 341 A N -1.192 121.638 122.820 0.017 0.000 1.930 341 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 341 A C 2.373 179.951 177.584 -0.010 0.000 1.175 341 A CA 1.832 53.864 52.037 -0.009 0.000 0.627 341 A CB -1.397 17.582 19.000 -0.035 0.000 0.815 341 A HN 0.111 nan 8.150 nan 0.000 0.443 342 M N -1.458 118.141 119.600 -0.002 0.000 2.149 342 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 342 M C 2.320 178.627 176.300 0.012 0.000 1.064 342 M CA 2.033 57.327 55.300 -0.010 0.000 1.102 342 M CB -0.105 32.486 32.600 -0.015 0.000 1.369 342 M HN 0.456 nan 8.290 nan 0.000 0.408 343 R N -0.013 120.510 120.500 0.039 0.000 2.075 343 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 343 R C 2.150 178.474 176.300 0.041 0.000 1.114 343 R CA 1.467 57.603 56.100 0.060 0.000 0.972 343 R CB -0.297 30.046 30.300 0.073 0.000 0.869 343 R HN 0.226 nan 8.270 nan 0.000 0.437 344 R N 0.011 120.525 120.500 0.024 0.000 2.073 344 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 344 R C 1.999 178.298 176.300 -0.002 0.000 1.134 344 R CA 1.545 57.651 56.100 0.010 0.000 0.952 344 R CB -0.497 29.805 30.300 0.003 0.000 0.850 344 R HN 0.294 nan 8.270 nan 0.000 0.433 345 A N 2.202 125.017 122.820 -0.009 0.000 1.863 345 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 345 A C 2.165 179.740 177.584 -0.016 0.000 1.233 345 A CA 1.783 53.808 52.037 -0.020 0.000 0.655 345 A CB -1.223 17.760 19.000 -0.029 0.000 0.839 345 A HN 0.456 nan 8.150 nan 0.000 0.454 346 L N -0.301 120.921 121.223 -0.001 0.000 2.013 346 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 346 L C 2.458 179.329 176.870 0.002 0.000 1.073 346 L CA 2.511 57.359 54.840 0.014 0.000 0.753 346 L CB -0.944 41.146 42.059 0.053 0.000 0.890 346 L HN 0.525 nan 8.230 nan 0.000 0.432 347 I N -0.074 120.501 120.570 0.008 0.000 2.252 347 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 347 I C 2.521 178.614 176.117 -0.040 0.000 1.102 347 I CA 1.135 62.425 61.300 -0.017 0.000 1.385 347 I CB -0.142 37.864 38.000 0.010 0.000 1.064 347 I HN 0.329 nan 8.210 nan 0.000 0.414 348 E N -0.159 120.025 120.200 -0.028 0.000 2.051 348 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 348 E C 2.187 178.761 176.600 -0.042 0.000 0.991 348 E CA 1.954 58.335 56.400 -0.032 0.000 0.799 348 E CB -0.173 29.512 29.700 -0.025 0.000 0.748 348 E HN 0.437 nan 8.360 nan 0.000 0.449 349 T N 0.106 114.632 114.554 -0.047 0.000 3.035 349 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 349 T C 1.725 176.389 174.700 -0.060 0.000 1.109 349 T CA 0.965 63.029 62.100 -0.060 0.000 1.119 349 T CB -0.009 68.812 68.868 -0.078 0.000 0.900 349 T HN -0.012 nan 8.240 nan 0.000 0.503 350 K N 0.061 120.415 120.400 -0.077 0.000 2.057 350 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 350 K C 2.478 179.009 176.600 -0.115 0.000 1.050 350 K CA 1.394 57.598 56.287 -0.139 0.000 0.935 350 K CB -0.107 32.234 32.500 -0.264 0.000 0.715 350 K HN 0.439 nan 8.250 nan 0.000 0.439 351 Q N -0.286 119.463 119.800 -0.084 0.000 2.083 351 Q HA -0.021 4.319 4.340 -0.000 0.000 0.198 351 Q C 2.111 178.095 176.000 -0.027 0.000 0.969 351 Q CA 1.061 56.830 55.803 -0.057 0.000 0.838 351 Q CB 0.207 28.918 28.738 -0.044 0.000 0.900 351 Q HN 0.161 nan 8.270 nan 0.000 0.436 352 R N 0.072 120.558 120.500 -0.024 0.000 2.148 352 R HA -0.036 4.304 4.340 -0.000 0.000 0.223 352 R C 2.173 178.490 176.300 0.029 0.000 1.088 352 R CA 0.714 56.810 56.100 -0.006 0.000 0.985 352 R CB -0.218 30.070 30.300 -0.020 0.000 0.880 352 R HN 0.308 nan 8.270 nan 0.000 0.451 353 L N 0.482 121.723 121.223 0.029 0.000 2.093 353 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 353 L C 2.209 179.196 176.870 0.196 0.000 1.085 353 L CA 1.337 56.252 54.840 0.124 0.000 0.755 353 L CB -0.255 41.819 42.059 0.026 0.000 0.904 353 L HN 0.169 nan 8.230 nan 0.000 0.435 354 E N -0.339 119.905 120.200 0.074 0.000 2.208 354 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 354 E C 2.221 178.838 176.600 0.028 0.000 0.988 354 E CA 0.797 57.224 56.400 0.044 0.000 0.828 354 E CB 0.036 29.731 29.700 -0.007 0.000 0.763 354 E HN 0.488 nan 8.360 nan 0.000 0.478 355 A N 1.129 123.964 122.820 0.026 0.000 1.872 355 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 355 A C 2.202 179.793 177.584 0.011 0.000 1.187 355 A CA 1.334 53.379 52.037 0.013 0.000 0.614 355 A CB -0.332 18.673 19.000 0.008 0.000 0.826 355 A HN 0.250 nan 8.150 nan 0.000 0.442 356 A N -1.812 121.032 122.820 0.041 0.000 2.261 356 A HA 0.428 4.748 4.320 -0.000 0.000 0.208 356 A C 1.588 179.106 177.584 -0.110 0.000 1.223 356 A CA 1.250 53.295 52.037 0.014 0.000 0.833 356 A CB -0.966 18.083 19.000 0.081 0.000 0.830 356 A HN 1.825 nan 8.150 nan 0.000 0.483 357 G N -1.562 107.176 108.800 -0.105 0.000 2.316 357 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.203 357 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.203 357 G C 0.119 174.908 174.900 -0.185 0.000 0.999 357 G CA 0.073 45.066 45.100 -0.177 0.000 0.649 357 G HN 0.704 nan 8.290 nan 0.000 0.489 358 H N 0.842 119.920 119.070 0.013 0.000 2.679 358 H HA 0.547 5.103 4.556 -0.000 0.000 0.369 358 H C 0.733 176.065 175.328 0.007 0.000 1.178 358 H CA 1.212 57.271 56.048 0.020 0.000 1.419 358 H CB 1.184 30.979 29.762 0.055 0.000 1.458 358 H HN 0.263 nan 8.280 nan 0.000 0.605 359 T N 2.504 117.134 114.554 0.127 0.000 2.892 359 T HA 0.312 4.662 4.350 -0.000 0.000 0.311 359 T C -1.113 173.624 174.700 0.062 0.000 1.033 359 T CA -0.969 61.169 62.100 0.063 0.000 0.991 359 T CB 0.066 68.954 68.868 0.032 0.000 0.981 359 T HN 0.259 nan 8.240 nan 0.000 0.457 360 L N 5.993 127.259 121.223 0.072 0.000 2.280 360 L HA 0.570 4.910 4.340 -0.000 0.000 0.287 360 L C -0.406 176.635 176.870 0.286 0.000 1.023 360 L CA -0.624 54.285 54.840 0.115 0.000 0.819 360 L CB 1.154 43.190 42.059 -0.038 0.000 1.212 360 L HN 0.753 nan 8.230 nan 0.000 0.420 361 I N 5.843 126.601 120.570 0.313 0.000 2.378 361 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 361 I C -2.056 174.086 176.117 0.042 0.000 0.992 361 I CA -1.924 59.498 61.300 0.202 0.000 1.154 361 I CB 1.866 39.905 38.000 0.066 0.000 1.315 361 I HN 0.353 nan 8.210 nan 0.000 0.448 362 P HA 0.009 nan 4.420 nan 0.000 0.263 362 P C -0.983 176.235 177.300 -0.138 0.000 1.345 362 P CA 0.419 63.253 63.100 -0.443 0.000 1.119 362 P CB -0.305 31.252 31.700 -0.238 0.000 1.363 363 F N 4.976 124.788 119.950 -0.230 0.000 2.482 363 F HA 0.635 5.162 4.527 -0.000 0.000 0.331 363 F C -0.913 174.957 175.800 0.116 0.000 1.115 363 F CA -1.081 56.884 58.000 -0.059 0.000 0.955 363 F CB 1.187 40.135 39.000 -0.087 0.000 1.136 363 F HN 0.033 nan 8.300 nan 0.000 0.452 364 L N 8.027 128.966 121.223 -0.473 0.000 2.431 364 L HA 0.654 4.994 4.340 -0.000 0.000 0.266 364 L C -2.654 173.861 176.870 -0.591 0.000 0.978 364 L CA -2.008 52.651 54.840 -0.302 0.000 0.822 364 L CB 2.120 44.006 42.059 -0.289 0.000 1.310 364 L HN 0.378 nan 8.230 nan 0.000 0.409 365 P HA 0.117 nan 4.420 nan 0.000 0.264 365 P C -1.317 175.924 177.300 -0.099 0.000 1.193 365 P CA 0.022 63.077 63.100 -0.076 0.000 0.763 365 P CB 0.086 31.864 31.700 0.131 0.000 0.810 366 N N 2.006 120.665 118.700 -0.069 0.000 2.441 366 N HA -0.030 4.710 4.740 -0.000 0.000 0.251 366 N C -0.312 175.275 175.510 0.129 0.000 1.242 366 N CA -0.407 52.638 53.050 -0.008 0.000 0.898 366 N CB -0.494 37.989 38.487 -0.006 0.000 1.100 366 N HN 0.236 nan 8.380 nan 0.000 0.443 367 N N -0.146 118.588 118.700 0.057 0.000 2.714 367 N HA -0.208 4.532 4.740 -0.000 0.000 0.252 367 N C 0.179 175.721 175.510 0.054 0.000 1.014 367 N CA 0.711 53.802 53.050 0.068 0.000 0.735 367 N CB -1.086 37.441 38.487 0.066 0.000 0.924 367 N HN 0.581 nan 8.380 nan 0.000 0.540 368 I N 0.096 120.661 120.570 -0.007 0.000 2.087 368 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 368 I C -0.507 175.520 176.117 -0.150 0.000 1.054 368 I CA 1.752 62.985 61.300 -0.112 0.000 1.311 368 I CB -0.882 37.019 38.000 -0.165 0.000 1.024 368 I HN 0.246 nan 8.210 nan 0.000 0.402 369 P HA -0.196 nan 4.420 nan 0.000 0.220 369 P C 1.435 178.738 177.300 0.005 0.000 1.148 369 P CA 1.276 64.392 63.100 0.027 0.000 0.803 369 P CB -0.148 31.665 31.700 0.190 0.000 0.782 370 Y N 1.213 121.431 120.300 -0.136 0.000 2.145 370 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 370 Y C 2.408 178.133 175.900 -0.292 0.000 1.145 370 Y CA 1.798 59.791 58.100 -0.178 0.000 1.148 370 Y CB -1.048 37.306 38.460 -0.175 0.000 0.981 370 Y HN -0.092 nan 8.280 nan 0.000 0.507 371 A N 0.194 122.737 122.820 -0.462 0.000 1.898 371 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 371 A C 2.310 179.588 177.584 -0.510 0.000 1.181 371 A CA 1.753 53.364 52.037 -0.709 0.000 0.620 371 A CB -1.010 17.488 19.000 -0.836 0.000 0.819 371 A HN 0.548 nan 8.150 nan 0.000 0.442 372 L N -1.134 119.832 121.223 -0.429 0.000 2.023 372 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 372 L C 2.628 179.328 176.870 -0.282 0.000 1.073 372 L CA 1.630 56.230 54.840 -0.401 0.000 0.745 372 L CB -0.591 41.106 42.059 -0.603 0.000 0.900 372 L HN 0.453 nan 8.230 nan 0.000 0.435 373 E N -0.391 119.674 120.200 -0.224 0.000 2.060 373 E HA -0.151 4.199 4.350 -0.000 0.000 0.189 373 E C 2.158 178.688 176.600 -0.117 0.000 0.974 373 E CA 1.173 57.523 56.400 -0.083 0.000 0.808 373 E CB -0.020 29.688 29.700 0.013 0.000 0.768 373 E HN 0.335 nan 8.360 nan 0.000 0.453 374 V N 0.511 120.285 119.914 -0.233 0.000 2.379 374 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 374 V C 1.881 177.780 176.094 -0.326 0.000 1.035 374 V CA 1.215 63.350 62.300 -0.275 0.000 1.035 374 V CB -0.274 31.375 31.823 -0.290 0.000 0.673 374 V HN 0.167 nan 8.190 nan 0.000 0.457 375 L N 0.371 121.310 121.223 -0.473 0.000 2.102 375 L HA 0.040 4.380 4.340 -0.000 0.000 0.202 375 L C 2.775 179.485 176.870 -0.268 0.000 1.076 375 L CA 1.510 56.109 54.840 -0.401 0.000 0.761 375 L CB -0.715 41.025 42.059 -0.532 0.000 0.921 375 L HN 0.338 nan 8.230 nan 0.000 0.444 376 S N 0.455 115.990 115.700 -0.275 0.000 2.348 376 S HA -0.034 4.436 4.470 -0.000 0.000 0.219 376 S C 2.188 176.670 174.600 -0.198 0.000 1.033 376 S CA 0.992 59.057 58.200 -0.225 0.000 0.974 376 S CB -0.334 62.721 63.200 -0.242 0.000 0.868 376 S HN 0.405 nan 8.310 nan 0.000 0.459 377 A N 1.740 124.466 122.820 -0.157 0.000 1.898 377 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 377 A C 2.324 179.868 177.584 -0.067 0.000 1.181 377 A CA 1.632 53.616 52.037 -0.088 0.000 0.620 377 A CB -1.477 17.569 19.000 0.077 0.000 0.819 377 A HN 0.512 nan 8.150 nan 0.000 0.442 378 G N -0.518 108.246 108.800 -0.061 0.000 2.422 378 G HA2 0.012 3.972 3.960 -0.000 0.000 0.218 378 G HA3 0.012 3.972 3.960 -0.000 0.000 0.218 378 G C 1.495 176.364 174.900 -0.051 0.000 1.146 378 G CA 1.276 46.355 45.100 -0.037 0.000 0.769 378 G HN 0.691 nan 8.290 nan 0.000 0.547 379 G N 0.919 109.657 108.800 -0.104 0.000 2.402 379 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 379 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 379 G C 1.753 176.585 174.900 -0.112 0.000 1.162 379 G CA 0.748 45.792 45.100 -0.094 0.000 0.777 379 G HN 0.434 nan 8.290 nan 0.000 0.539 380 L N -1.062 120.025 121.223 -0.225 0.000 2.313 380 L HA 0.237 4.577 4.340 -0.000 0.000 0.214 380 L C 1.025 177.715 176.870 -0.299 0.000 1.119 380 L CA 0.315 54.941 54.840 -0.357 0.000 0.809 380 L CB 0.004 41.693 42.059 -0.617 0.000 0.933 380 L HN 0.044 nan 8.230 nan 0.000 0.449 381 F N -0.987 118.910 119.950 -0.088 0.000 2.881 381 F HA 0.209 4.736 4.527 0.000 0.000 0.343 381 F C 1.771 177.529 175.800 -0.070 0.000 1.233 381 F CA -0.839 57.101 58.000 -0.100 0.000 1.262 381 F CB -0.492 38.424 39.000 -0.139 0.000 0.980 381 F HN -0.107 nan 8.300 nan 0.000 0.506 382 S N -0.408 115.362 115.700 0.117 0.000 2.419 382 S HA -0.181 4.289 4.470 -0.000 0.000 0.233 382 S C 1.493 176.124 174.600 0.051 0.000 1.016 382 S CA 1.557 59.794 58.200 0.061 0.000 0.974 382 S CB -0.204 63.019 63.200 0.039 0.000 0.786 382 S HN 0.567 nan 8.310 nan 0.000 0.492 383 D N -0.115 120.327 120.400 0.071 0.000 2.368 383 D HA 0.245 4.885 4.640 -0.000 0.000 0.218 383 D C 1.294 177.609 176.300 0.025 0.000 1.112 383 D CA 0.555 54.585 54.000 0.049 0.000 0.834 383 D CB -0.313 40.527 40.800 0.067 0.000 0.953 383 D HN 0.389 nan 8.370 nan 0.000 0.505 384 G N 0.377 109.180 108.800 0.006 0.000 2.245 384 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 384 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 384 G C 1.156 175.968 174.900 -0.148 0.000 0.985 384 G CA 0.482 45.535 45.100 -0.079 0.000 0.625 384 G HN 1.461 nan 8.290 nan 0.000 0.536 385 G N -2.431 106.350 108.800 -0.033 0.000 2.183 385 G HA2 0.297 4.256 3.960 -0.000 0.000 0.168 385 G HA3 0.297 4.256 3.960 -0.000 0.000 0.168 385 G C 1.044 176.031 174.900 0.145 0.000 1.008 385 G CA 1.350 46.459 45.100 0.016 0.000 0.677 385 G HN 1.784 nan 8.290 nan 0.000 0.498 386 R N 1.097 121.654 120.500 0.095 0.000 2.062 386 R HA 0.192 4.532 4.340 -0.000 0.000 0.231 386 R C 2.814 179.183 176.300 0.114 0.000 1.136 386 R CA 2.705 58.855 56.100 0.083 0.000 0.948 386 R CB -1.557 28.772 30.300 0.048 0.000 0.845 386 R HN 0.952 nan 8.270 nan 0.000 0.430 387 S N 0.541 116.320 115.700 0.131 0.000 2.365 387 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 387 S C 1.890 176.589 174.600 0.165 0.000 1.039 387 S CA 1.464 59.742 58.200 0.131 0.000 1.033 387 S CB -0.642 62.636 63.200 0.131 0.000 0.887 387 S HN 0.590 nan 8.310 nan 0.000 0.447 388 F N 2.208 122.211 119.950 0.089 0.000 2.095 388 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 388 F C 1.794 177.719 175.800 0.209 0.000 1.104 388 F CA 1.257 59.341 58.000 0.140 0.000 1.232 388 F CB -0.381 38.733 39.000 0.190 0.000 0.987 388 F HN 0.077 nan 8.300 nan 0.000 0.475 389 L N -0.191 121.115 121.223 0.139 0.000 2.552 389 L HA -0.096 4.244 4.340 -0.000 0.000 0.227 389 L C 2.134 179.050 176.870 0.075 0.000 1.146 389 L CA 0.483 55.376 54.840 0.087 0.000 0.858 389 L CB -0.530 41.575 42.059 0.077 0.000 0.969 389 L HN 0.200 nan 8.230 nan 0.000 0.451 390 Q N 0.408 120.224 119.800 0.027 0.000 2.224 390 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 390 Q C 1.579 177.538 176.000 -0.069 0.000 0.970 390 Q CA 1.302 57.101 55.803 -0.007 0.000 0.865 390 Q CB 0.059 28.797 28.738 0.001 0.000 0.922 390 Q HN 0.479 nan 8.270 nan 0.000 0.445 391 N N -1.348 117.252 118.700 -0.166 0.000 2.515 391 N HA -0.024 4.716 4.740 -0.000 0.000 0.185 391 N C -0.054 175.147 175.510 -0.515 0.000 1.109 391 N CA 0.572 53.406 53.050 -0.361 0.000 0.903 391 N CB 0.174 38.346 38.487 -0.526 0.000 0.969 391 N HN 0.181 nan 8.380 nan 0.000 0.450 392 F N 0.539 120.380 119.950 -0.181 0.000 2.678 392 F HA 0.277 4.804 4.527 0.000 0.000 0.305 392 F C 0.602 176.331 175.800 -0.118 0.000 1.090 392 F CA -0.438 57.470 58.000 -0.153 0.000 1.272 392 F CB 0.248 39.141 39.000 -0.179 0.000 1.060 392 F HN -0.256 nan 8.300 nan 0.000 0.576 393 K N 0.591 121.003 120.400 0.020 0.000 2.419 393 K HA 0.281 4.601 4.320 -0.000 0.000 0.282 393 K C 1.171 177.743 176.600 -0.047 0.000 1.056 393 K CA 0.861 57.139 56.287 -0.014 0.000 1.035 393 K CB -0.044 32.441 32.500 -0.025 0.000 0.921 393 K HN 0.378 nan 8.250 nan 0.000 0.472 394 G N 2.755 111.516 108.800 -0.065 0.000 2.153 394 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.252 394 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.252 394 G C -0.268 174.537 174.900 -0.158 0.000 0.994 394 G CA 0.221 45.255 45.100 -0.111 0.000 0.698 394 G HN 0.652 nan 8.290 nan 0.000 0.521 395 D N -0.788 119.540 120.400 -0.120 0.000 2.269 395 D HA 0.610 5.250 4.640 -0.000 0.000 0.244 395 D C 0.450 176.677 176.300 -0.120 0.000 0.992 395 D CA -0.770 53.173 54.000 -0.095 0.000 0.894 395 D CB 0.668 41.460 40.800 -0.013 0.000 1.248 395 D HN -0.037 nan 8.370 nan 0.000 0.468 396 F N 0.757 120.730 119.950 0.039 0.000 2.529 396 F HA 0.103 4.630 4.527 -0.000 0.000 0.365 396 F C 0.951 176.817 175.800 0.109 0.000 1.102 396 F CA -0.304 57.725 58.000 0.048 0.000 1.271 396 F CB 0.736 39.746 39.000 0.018 0.000 1.120 396 F HN -0.091 nan 8.300 nan 0.000 0.579 397 V N 4.224 124.294 119.914 0.260 0.000 2.370 397 V HA 0.239 4.359 4.120 -0.000 0.000 0.279 397 V C -0.112 176.079 176.094 0.162 0.000 1.029 397 V CA -0.745 61.675 62.300 0.199 0.000 0.870 397 V CB 1.050 32.877 31.823 0.006 0.000 0.984 397 V HN 0.777 nan 8.190 nan 0.000 0.451 398 D N 8.027 128.521 120.400 0.158 0.000 2.424 398 D HA 0.207 4.847 4.640 -0.000 0.000 0.244 398 D C -1.421 174.914 176.300 0.059 0.000 1.134 398 D CA -1.275 52.783 54.000 0.096 0.000 0.881 398 D CB 2.206 43.060 40.800 0.091 0.000 1.191 398 D HN 0.508 nan 8.370 nan 0.000 0.445 399 P HA -0.147 nan 4.420 nan 0.000 0.221 399 P C 1.761 179.061 177.300 0.001 0.000 1.145 399 P CA 0.715 63.824 63.100 0.015 0.000 0.795 399 P CB -0.326 31.378 31.700 0.005 0.000 0.775 400 C N -1.861 117.438 119.300 -0.002 0.000 2.419 400 C HA -0.003 4.457 4.460 -0.000 0.000 0.283 400 C C 2.382 177.356 174.990 -0.027 0.000 1.373 400 C CA 0.096 59.098 59.018 -0.027 0.000 1.781 400 C CB -2.293 25.431 27.740 -0.027 0.000 1.886 400 C HN 0.024 nan 8.230 nan 0.000 0.520 401 L N 1.608 122.839 121.223 0.013 0.000 2.395 401 L HA 0.317 4.657 4.340 -0.000 0.000 0.218 401 L C 2.064 178.944 176.870 0.017 0.000 1.130 401 L CA 1.771 56.629 54.840 0.029 0.000 0.826 401 L CB -1.255 40.840 42.059 0.061 0.000 0.941 401 L HN 0.783 nan 8.230 nan 0.000 0.451 402 G N -0.286 108.517 108.800 0.005 0.000 2.531 402 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.274 402 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.274 402 G C 0.363 175.273 174.900 0.016 0.000 1.159 402 G CA 0.259 45.367 45.100 0.013 0.000 0.969 402 G HN 0.245 nan 8.290 nan 0.000 0.554 403 D N 0.650 121.073 120.400 0.037 0.000 2.402 403 D HA 0.208 4.848 4.640 -0.000 0.000 0.216 403 D C 2.253 178.565 176.300 0.021 0.000 1.128 403 D CA 0.243 54.257 54.000 0.023 0.000 0.833 403 D CB 0.628 41.446 40.800 0.031 0.000 0.971 403 D HN 0.308 nan 8.370 nan 0.000 0.503 404 L N 0.860 122.111 121.223 0.047 0.000 2.042 404 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 404 L C 1.758 178.598 176.870 -0.051 0.000 1.076 404 L CA 1.603 56.471 54.840 0.046 0.000 0.749 404 L CB -0.219 41.913 42.059 0.123 0.000 0.893 404 L HN -0.080 nan 8.230 nan 0.000 0.432 405 I N -0.788 119.725 120.570 -0.095 0.000 2.252 405 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 405 I C 2.521 178.550 176.117 -0.147 0.000 1.102 405 I CA 1.360 62.544 61.300 -0.194 0.000 1.385 405 I CB -1.394 36.379 38.000 -0.379 0.000 1.064 405 I HN 0.379 nan 8.210 nan 0.000 0.414 406 L N 1.028 122.189 121.223 -0.103 0.000 2.012 406 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 406 L C 2.454 179.275 176.870 -0.083 0.000 1.073 406 L CA 1.816 56.609 54.840 -0.077 0.000 0.748 406 L CB -0.300 41.732 42.059 -0.044 0.000 0.891 406 L HN 0.041 nan 8.230 nan 0.000 0.431 407 I N -0.792 119.723 120.570 -0.092 0.000 2.202 407 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 407 I C 2.299 178.293 176.117 -0.206 0.000 1.091 407 I CA 1.256 62.478 61.300 -0.131 0.000 1.368 407 I CB -0.294 37.627 38.000 -0.131 0.000 1.058 407 I HN 0.230 nan 8.210 nan 0.000 0.410 408 L N 0.046 121.118 121.223 -0.251 0.000 2.265 408 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 408 L C 2.503 179.261 176.870 -0.187 0.000 1.117 408 L CA 1.168 55.830 54.840 -0.296 0.000 0.782 408 L CB -0.396 41.475 42.059 -0.313 0.000 0.914 408 L HN 0.173 nan 8.230 nan 0.000 0.441 409 R N -0.524 119.892 120.500 -0.140 0.000 2.280 409 R HA 0.165 4.505 4.340 -0.000 0.000 0.195 409 R C 0.414 176.654 176.300 -0.100 0.000 0.935 409 R CA -0.178 55.861 56.100 -0.103 0.000 1.033 409 R CB 0.203 30.448 30.300 -0.091 0.000 0.964 409 R HN 0.244 nan 8.270 nan 0.000 0.489 410 L N 3.595 124.753 121.223 -0.109 0.000 2.490 410 L HA 0.105 4.445 4.340 -0.000 0.000 0.274 410 L C -1.803 174.971 176.870 -0.159 0.000 1.201 410 L CA -1.582 53.191 54.840 -0.111 0.000 0.869 410 L CB 0.051 42.102 42.059 -0.012 0.000 1.123 410 L HN -0.087 nan 8.230 nan 0.000 0.484 411 P HA 0.067 nan 4.420 nan 0.000 0.271 411 P C 0.205 177.340 177.300 -0.275 0.000 1.244 411 P CA -0.356 62.627 63.100 -0.195 0.000 0.793 411 P CB 0.683 32.301 31.700 -0.138 0.000 0.984 412 S N 0.163 115.790 115.700 -0.123 0.000 2.382 412 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 412 S C 1.779 176.340 174.600 -0.065 0.000 1.027 412 S CA 1.171 59.326 58.200 -0.076 0.000 0.991 412 S CB -0.852 62.354 63.200 0.009 0.000 0.823 412 S HN 0.713 nan 8.310 nan 0.000 0.469 413 W N 0.567 121.898 121.300 0.050 0.000 2.374 413 W HA -0.062 4.598 4.660 -0.000 0.000 0.288 413 W C 1.696 178.292 176.519 0.128 0.000 1.218 413 W CA 0.350 57.735 57.345 0.066 0.000 1.245 413 W CB -1.005 28.490 29.460 0.058 0.000 1.126 413 W HN 0.244 nan 8.180 nan 0.000 0.545 414 F N 2.386 121.695 119.950 -1.068 0.000 2.187 414 F HA 0.033 4.560 4.527 -0.000 0.000 0.295 414 F C 2.568 178.119 175.800 -0.414 0.000 1.091 414 F CA 1.703 59.144 58.000 -0.933 0.000 1.308 414 F CB -0.613 37.631 39.000 -1.260 0.000 1.030 414 F HN -0.277 nan 8.300 nan 0.000 0.487 415 K N 0.149 120.351 120.400 -0.330 0.000 2.009 415 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 415 K C 2.539 179.007 176.600 -0.220 0.000 1.049 415 K CA 2.441 58.554 56.287 -0.290 0.000 0.929 415 K CB -0.442 31.923 32.500 -0.226 0.000 0.714 415 K HN 0.159 nan 8.250 nan 0.000 0.440 416 R N 0.830 121.254 120.500 -0.126 0.000 2.105 416 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 416 R C 2.175 178.447 176.300 -0.047 0.000 1.135 416 R CA 1.968 58.034 56.100 -0.056 0.000 0.967 416 R CB -1.504 28.804 30.300 0.013 0.000 0.861 416 R HN 0.325 nan 8.270 nan 0.000 0.442 417 L N -0.211 120.988 121.223 -0.040 0.000 2.072 417 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 417 L C 2.537 179.325 176.870 -0.136 0.000 1.079 417 L CA 1.443 56.276 54.840 -0.011 0.000 0.752 417 L CB -0.188 41.969 42.059 0.162 0.000 0.906 417 L HN 0.390 nan 8.230 nan 0.000 0.436 418 L N -1.138 119.883 121.223 -0.336 0.000 2.042 418 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 418 L C 2.748 179.506 176.870 -0.186 0.000 1.076 418 L CA 1.610 56.240 54.840 -0.350 0.000 0.749 418 L CB -0.527 41.206 42.059 -0.544 0.000 0.893 418 L HN 0.406 nan 8.230 nan 0.000 0.432 419 S N 0.214 115.821 115.700 -0.156 0.000 2.343 419 S HA -0.150 4.320 4.470 -0.000 0.000 0.219 419 S C 1.842 176.411 174.600 -0.051 0.000 1.033 419 S CA 1.542 59.687 58.200 -0.091 0.000 1.014 419 S CB -0.307 62.847 63.200 -0.078 0.000 0.915 419 S HN 0.455 nan 8.310 nan 0.000 0.435 420 L N -0.077 121.122 121.223 -0.039 0.000 2.551 420 L HA 0.218 4.558 4.340 -0.000 0.000 0.228 420 L C 1.932 178.794 176.870 -0.014 0.000 1.153 420 L CA 1.166 55.996 54.840 -0.017 0.000 0.851 420 L CB -0.846 41.211 42.059 -0.004 0.000 0.959 420 L HN 0.343 nan 8.230 nan 0.000 0.451 421 L N -0.490 120.718 121.223 -0.026 0.000 2.416 421 L HA 0.042 4.382 4.340 -0.000 0.000 0.216 421 L C 2.084 178.953 176.870 -0.001 0.000 1.098 421 L CA 0.255 55.086 54.840 -0.015 0.000 0.840 421 L CB 0.139 42.184 42.059 -0.023 0.000 0.981 421 L HN 0.189 nan 8.230 nan 0.000 0.462 422 L N -0.197 121.024 121.223 -0.002 0.000 2.416 422 L HA 0.029 4.369 4.340 -0.000 0.000 0.216 422 L C 2.792 179.684 176.870 0.038 0.000 1.098 422 L CA 1.471 56.343 54.840 0.053 0.000 0.840 422 L CB -1.343 40.740 42.059 0.040 0.000 0.981 422 L HN 0.150 nan 8.230 nan 0.000 0.462 423 K N 1.268 121.670 120.400 0.004 0.000 2.052 423 K HA -0.174 4.146 4.320 -0.000 0.000 0.215 423 K C -0.150 176.436 176.600 -0.022 0.000 1.053 423 K CA 2.212 58.496 56.287 -0.005 0.000 0.934 423 K CB -2.698 29.799 32.500 -0.004 0.000 0.717 423 K HN 0.458 nan 8.250 nan 0.000 0.450 424 P HA 0.014 nan 4.420 nan 0.000 0.242 424 P C 0.407 177.640 177.300 -0.113 0.000 1.197 424 P CA 0.643 63.710 63.100 -0.055 0.000 0.765 424 P CB 0.373 32.047 31.700 -0.043 0.000 0.936 425 L N -2.401 118.726 121.223 -0.159 0.000 2.691 425 L HA 0.283 4.623 4.340 -0.000 0.000 0.185 425 L C 0.684 177.232 176.870 -0.536 0.000 1.081 425 L CA 0.855 55.450 54.840 -0.409 0.000 0.865 425 L CB -0.826 40.920 42.059 -0.521 0.000 1.370 425 L HN -0.187 nan 8.230 nan 0.000 0.488 426 F N 2.232 122.141 119.950 -0.069 0.000 2.449 426 F HA 0.366 4.893 4.527 -0.000 0.000 0.329 426 F C -1.490 174.221 175.800 -0.148 0.000 1.245 426 F CA -1.346 56.586 58.000 -0.113 0.000 1.193 426 F CB 0.569 39.469 39.000 -0.166 0.000 1.425 426 F HN -0.023 nan 8.300 nan 0.000 0.544 427 P HA -0.103 nan 4.420 nan 0.000 0.230 427 P C 1.430 178.674 177.300 -0.092 0.000 1.158 427 P CA 0.990 64.075 63.100 -0.025 0.000 0.769 427 P CB 0.312 32.017 31.700 0.008 0.000 0.807 428 R N -0.496 119.858 120.500 -0.244 0.000 2.062 428 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 428 R C 2.302 178.474 176.300 -0.213 0.000 1.136 428 R CA 1.108 57.018 56.100 -0.315 0.000 0.948 428 R CB -0.979 28.941 30.300 -0.633 0.000 0.845 428 R HN 0.196 nan 8.270 nan 0.000 0.430 429 L N 0.419 121.432 121.223 -0.349 0.000 2.141 429 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 429 L C 2.471 179.325 176.870 -0.026 0.000 1.094 429 L CA 1.534 56.208 54.840 -0.276 0.000 0.763 429 L CB -0.618 41.197 42.059 -0.406 0.000 0.908 429 L HN 0.170 nan 8.230 nan 0.000 0.437 430 A N -0.632 122.168 122.820 -0.034 0.000 1.933 430 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 430 A C 2.486 180.086 177.584 0.026 0.000 1.175 430 A CA 1.661 53.693 52.037 -0.008 0.000 0.628 430 A CB -0.726 18.270 19.000 -0.007 0.000 0.814 430 A HN 0.374 nan 8.150 nan 0.000 0.444 431 A N -1.411 121.445 122.820 0.059 0.000 1.898 431 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 431 A C 2.055 179.752 177.584 0.188 0.000 1.183 431 A CA 1.117 53.214 52.037 0.100 0.000 0.622 431 A CB -0.728 18.334 19.000 0.104 0.000 0.824 431 A HN 0.586 nan 8.150 nan 0.000 0.444 432 F N 0.324 120.316 119.950 0.069 0.000 2.087 432 F HA -0.267 4.260 4.527 -0.000 0.000 0.299 432 F C 1.970 177.809 175.800 0.065 0.000 1.100 432 F CA 1.645 59.727 58.000 0.136 0.000 1.226 432 F CB -0.037 39.108 39.000 0.241 0.000 0.983 432 F HN 0.169 nan 8.300 nan 0.000 0.479 433 L N -0.155 121.076 121.223 0.013 0.000 2.179 433 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 433 L C 2.231 179.030 176.870 -0.119 0.000 1.096 433 L CA 1.126 55.872 54.840 -0.156 0.000 0.779 433 L CB -0.742 41.233 42.059 -0.140 0.000 0.922 433 L HN 0.249 nan 8.230 nan 0.000 0.443 434 N N -0.292 118.382 118.700 -0.044 0.000 2.309 434 N HA -0.172 4.568 4.740 -0.000 0.000 0.182 434 N C 1.974 177.471 175.510 -0.021 0.000 1.018 434 N CA 1.329 54.361 53.050 -0.031 0.000 0.876 434 N CB 0.244 38.728 38.487 -0.005 0.000 0.972 434 N HN 0.353 nan 8.380 nan 0.000 0.434 435 S N 0.745 116.448 115.700 0.004 0.000 2.406 435 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 435 S C 1.917 176.540 174.600 0.038 0.000 1.020 435 S CA 0.623 58.846 58.200 0.039 0.000 0.965 435 S CB -0.379 62.891 63.200 0.117 0.000 0.798 435 S HN 0.481 nan 8.310 nan 0.000 0.488 436 M N 1.216 120.775 119.600 -0.068 0.000 2.493 436 M HA 0.369 4.849 4.480 -0.000 0.000 0.244 436 M C 0.655 176.858 176.300 -0.162 0.000 1.182 436 M CA -0.511 54.684 55.300 -0.175 0.000 0.981 436 M CB -0.112 32.180 32.600 -0.513 0.000 1.551 436 M HN 0.092 nan 8.290 nan 0.000 0.476 437 R N 2.606 123.049 120.500 -0.096 0.000 2.590 437 R HA 0.317 4.657 4.340 -0.000 0.000 0.274 437 R C -2.944 173.330 176.300 -0.043 0.000 1.061 437 R CA -1.024 55.034 56.100 -0.071 0.000 1.081 437 R CB -0.379 29.893 30.300 -0.047 0.000 0.984 437 R HN 0.038 nan 8.270 nan 0.000 0.448 438 P HA 0.253 nan 4.420 nan 0.000 0.276 438 P C -0.658 176.635 177.300 -0.012 0.000 1.253 438 P CA -0.072 63.017 63.100 -0.018 0.000 0.766 438 P CB 0.553 32.244 31.700 -0.016 0.000 0.845 439 R N 1.529 122.024 120.500 -0.009 0.000 2.573 439 R HA 0.505 4.845 4.340 -0.000 0.000 0.272 439 R C 0.748 177.029 176.300 -0.032 0.000 1.009 439 R CA -0.530 55.559 56.100 -0.018 0.000 1.059 439 R CB 0.965 31.258 30.300 -0.013 0.000 1.112 439 R HN 0.527 nan 8.270 nan 0.000 0.517 440 S N 0.522 116.191 115.700 -0.052 0.000 2.645 440 S HA 0.234 4.704 4.470 -0.000 0.000 0.266 440 S C 1.126 175.642 174.600 -0.139 0.000 1.258 440 S CA -0.251 57.897 58.200 -0.086 0.000 0.990 440 S CB 1.660 64.804 63.200 -0.093 0.000 0.967 440 S HN 0.700 nan 8.310 nan 0.000 0.556 441 A N 0.352 123.048 122.820 -0.207 0.000 1.972 441 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 441 A C 2.103 179.290 177.584 -0.661 0.000 1.169 441 A CA 1.589 53.404 52.037 -0.370 0.000 0.635 441 A CB -1.125 17.652 19.000 -0.373 0.000 0.810 441 A HN 1.004 nan 8.150 nan 0.000 0.446 442 E N -0.199 119.689 120.200 -0.521 0.000 2.085 442 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 442 E C 1.755 178.236 176.600 -0.198 0.000 0.994 442 E CA 1.655 57.802 56.400 -0.421 0.000 0.801 442 E CB -0.077 29.482 29.700 -0.236 0.000 0.743 442 E HN 0.450 nan 8.360 nan 0.000 0.453 443 K N 0.294 120.614 120.400 -0.133 0.000 2.366 443 K HA 0.060 4.380 4.320 -0.000 0.000 0.198 443 K C 1.909 178.504 176.600 -0.008 0.000 1.044 443 K CA 0.134 56.396 56.287 -0.042 0.000 0.973 443 K CB -0.011 32.470 32.500 -0.032 0.000 0.767 443 K HN 0.153 nan 8.250 nan 0.000 0.475 444 L N -0.684 120.510 121.223 -0.048 0.000 2.023 444 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 444 L C 1.513 178.499 176.870 0.193 0.000 1.073 444 L CA 1.081 55.948 54.840 0.045 0.000 0.745 444 L CB -0.243 41.837 42.059 0.035 0.000 0.900 444 L HN 0.351 nan 8.230 nan 0.000 0.435 445 W N 0.675 122.001 121.300 0.043 0.000 2.321 445 W HA -0.271 4.389 4.660 0.000 0.000 0.306 445 W C 2.861 179.431 176.519 0.086 0.000 1.217 445 W CA 1.909 59.287 57.345 0.055 0.000 1.257 445 W CB -1.416 28.067 29.460 0.039 0.000 1.145 445 W HN 0.167 nan 8.180 nan 0.000 0.509 446 K N 0.236 120.811 120.400 0.292 0.000 2.097 446 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 446 K C 1.944 178.652 176.600 0.179 0.000 1.049 446 K CA 1.632 58.054 56.287 0.225 0.000 0.933 446 K CB -1.071 31.522 32.500 0.154 0.000 0.717 446 K HN 0.207 nan 8.250 nan 0.000 0.442 447 L N 0.846 122.148 121.223 0.132 0.000 2.005 447 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 447 L C 2.816 179.745 176.870 0.097 0.000 1.072 447 L CA 2.019 56.904 54.840 0.076 0.000 0.744 447 L CB -0.276 41.804 42.059 0.035 0.000 0.895 447 L HN 0.541 nan 8.230 nan 0.000 0.433 448 Q N -1.794 118.096 119.800 0.150 0.000 2.135 448 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 448 Q C 2.161 178.265 176.000 0.174 0.000 0.981 448 Q CA 1.784 57.675 55.803 0.147 0.000 0.856 448 Q CB -0.164 28.677 28.738 0.172 0.000 0.902 448 Q HN 0.588 nan 8.270 nan 0.000 0.425 449 H N 0.481 119.611 119.070 0.100 0.000 2.395 449 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 449 H C 1.442 176.832 175.328 0.105 0.000 1.070 449 H CA 1.536 57.638 56.048 0.090 0.000 1.356 449 H CB 0.272 30.089 29.762 0.091 0.000 1.401 449 H HN 0.239 nan 8.280 nan 0.000 0.524 450 E N -0.117 120.083 120.200 -0.000 0.000 2.110 450 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 450 E C 2.114 178.742 176.600 0.047 0.000 0.988 450 E CA 1.008 57.406 56.400 -0.002 0.000 0.804 450 E CB 0.091 29.855 29.700 0.106 0.000 0.745 450 E HN 0.494 nan 8.360 nan 0.000 0.458 451 I N 1.613 122.209 120.570 0.044 0.000 2.315 451 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 451 I C 2.640 178.816 176.117 0.099 0.000 1.117 451 I CA 1.277 62.615 61.300 0.063 0.000 1.404 451 I CB -0.694 37.322 38.000 0.028 0.000 1.071 451 I HN 0.257 nan 8.210 nan 0.000 0.419 452 E N 1.036 121.280 120.200 0.074 0.000 2.208 452 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 452 E C 2.138 178.768 176.600 0.051 0.000 0.988 452 E CA 0.812 57.261 56.400 0.081 0.000 0.828 452 E CB -0.101 29.670 29.700 0.120 0.000 0.763 452 E HN 0.427 nan 8.360 nan 0.000 0.478 453 M N -0.165 119.427 119.600 -0.013 0.000 2.419 453 M HA -0.030 4.450 4.480 -0.000 0.000 0.264 453 M C 1.760 178.110 176.300 0.083 0.000 1.082 453 M CA 0.954 56.246 55.300 -0.014 0.000 1.119 453 M CB -0.025 32.502 32.600 -0.123 0.000 1.398 453 M HN 0.218 nan 8.290 nan 0.000 0.453 454 Y N 0.245 120.552 120.300 0.012 0.000 2.177 454 Y HA -0.112 4.438 4.550 0.000 0.000 0.291 454 Y C 2.453 178.376 175.900 0.039 0.000 1.117 454 Y CA 1.333 59.456 58.100 0.039 0.000 1.114 454 Y CB -0.087 38.400 38.460 0.046 0.000 1.017 454 Y HN -0.028 nan 8.280 nan 0.000 0.505 455 R N -0.031 120.416 120.500 -0.089 0.000 2.261 455 R HA -0.377 3.963 4.340 -0.000 0.000 0.252 455 R C 2.251 178.555 176.300 0.007 0.000 1.116 455 R CA 2.575 58.651 56.100 -0.040 0.000 0.942 455 R CB -0.471 29.874 30.300 0.075 0.000 0.932 455 R HN 0.358 nan 8.270 nan 0.000 0.441 456 Q N -0.337 119.474 119.800 0.018 0.000 2.119 456 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 456 Q C 2.134 178.147 176.000 0.020 0.000 0.972 456 Q CA 2.059 57.882 55.803 0.033 0.000 0.847 456 Q CB -0.258 28.504 28.738 0.040 0.000 0.903 456 Q HN 0.487 nan 8.270 nan 0.000 0.433 457 S N -1.332 114.354 115.700 -0.024 0.000 2.371 457 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 457 S C 2.013 176.602 174.600 -0.019 0.000 1.029 457 S CA 1.174 59.361 58.200 -0.023 0.000 0.978 457 S CB -0.497 62.686 63.200 -0.027 0.000 0.833 457 S HN 0.145 nan 8.310 nan 0.000 0.466 458 V N 1.393 121.233 119.914 -0.122 0.000 2.515 458 V HA -0.042 4.078 4.120 -0.000 0.000 0.250 458 V C 2.397 178.666 176.094 0.293 0.000 1.058 458 V CA 1.615 63.935 62.300 0.034 0.000 1.064 458 V CB -0.624 31.086 31.823 -0.188 0.000 0.675 458 V HN 0.486 nan 8.190 nan 0.000 0.461 459 I N 0.214 120.903 120.570 0.198 0.000 2.226 459 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 459 I C 2.483 178.712 176.117 0.185 0.000 1.100 459 I CA 1.592 62.988 61.300 0.159 0.000 1.374 459 I CB -0.329 37.697 38.000 0.045 0.000 1.057 459 I HN 0.269 nan 8.210 nan 0.000 0.413 460 A N -0.777 122.130 122.820 0.145 0.000 2.121 460 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 460 A C 2.203 179.896 177.584 0.182 0.000 1.154 460 A CA 1.141 53.257 52.037 0.132 0.000 0.679 460 A CB -0.429 18.622 19.000 0.084 0.000 0.795 460 A HN 0.481 nan 8.150 nan 0.000 0.458 461 Q N -1.697 118.258 119.800 0.257 0.000 2.123 461 Q HA -0.139 4.201 4.340 -0.000 0.000 0.199 461 Q C 1.947 178.277 176.000 0.551 0.000 0.966 461 Q CA 1.114 57.140 55.803 0.371 0.000 0.845 461 Q CB -0.173 28.788 28.738 0.373 0.000 0.907 461 Q HN 0.939 nan 8.270 nan 0.000 0.439 462 W N 1.462 122.910 121.300 0.248 0.000 2.436 462 W HA -0.076 4.584 4.660 -0.000 0.000 0.284 462 W C 1.163 177.657 176.519 -0.042 0.000 1.225 462 W CA 1.026 58.341 57.345 -0.050 0.000 1.271 462 W CB 0.205 29.594 29.460 -0.119 0.000 1.114 462 W HN 0.012 nan 8.180 nan 0.000 0.559 463 K N -0.140 120.447 120.400 0.311 0.000 2.262 463 K HA 0.041 4.361 4.320 -0.000 0.000 0.200 463 K C 1.987 178.660 176.600 0.122 0.000 1.049 463 K CA 1.004 57.407 56.287 0.193 0.000 0.979 463 K CB -0.265 32.316 32.500 0.135 0.000 0.773 463 K HN 0.027 nan 8.250 nan 0.000 0.474 464 A N 0.444 123.343 122.820 0.131 0.000 2.169 464 A HA 0.027 4.347 4.320 -0.000 0.000 0.212 464 A C 1.846 179.481 177.584 0.084 0.000 1.153 464 A CA 0.707 52.801 52.037 0.096 0.000 0.756 464 A CB -0.083 18.975 19.000 0.095 0.000 0.813 464 A HN 0.136 nan 8.150 nan 0.000 0.471 465 M N -1.623 118.032 119.600 0.092 0.000 2.382 465 M HA 0.230 4.710 4.480 -0.000 0.000 0.247 465 M C 0.447 176.723 176.300 -0.039 0.000 1.104 465 M CA 0.170 55.495 55.300 0.042 0.000 1.030 465 M CB -0.030 32.627 32.600 0.095 0.000 1.424 465 M HN 0.452 nan 8.290 nan 0.000 0.486 466 N N 0.967 119.650 118.700 -0.027 0.000 2.725 466 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 466 N C -1.265 174.168 175.510 -0.128 0.000 1.031 466 N CA 0.225 53.257 53.050 -0.030 0.000 0.720 466 N CB -0.907 37.579 38.487 -0.002 0.000 0.930 466 N HN 0.354 nan 8.380 nan 0.000 0.543 467 L N -1.152 119.865 121.223 -0.342 0.000 2.456 467 L HA 0.373 4.713 4.340 -0.000 0.000 0.257 467 L C 1.177 177.918 176.870 -0.215 0.000 1.162 467 L CA -0.587 53.943 54.840 -0.517 0.000 0.808 467 L CB 0.540 41.907 42.059 -1.153 0.000 1.136 467 L HN 0.080 nan 8.230 nan 0.000 0.466 468 D N -0.508 119.796 120.400 -0.160 0.000 2.454 468 D HA 0.261 4.901 4.640 -0.000 0.000 0.214 468 D C -0.179 176.194 176.300 0.122 0.000 1.088 468 D CA 0.545 54.584 54.000 0.064 0.000 0.855 468 D CB 1.729 42.527 40.800 -0.004 0.000 1.025 468 D HN 0.180 nan 8.370 nan 0.000 0.502 469 V N 0.869 120.675 119.914 -0.180 0.000 3.167 469 V HA 0.294 4.414 4.120 -0.000 0.000 0.293 469 V C -1.957 173.747 176.094 -0.651 0.000 1.379 469 V CA -0.863 61.253 62.300 -0.307 0.000 1.019 469 V CB 3.314 34.758 31.823 -0.631 0.000 1.115 469 V HN -0.092 nan 8.190 nan 0.000 0.442 470 L N 3.622 124.575 121.223 -0.450 0.000 2.370 470 L HA 0.844 5.184 4.340 -0.000 0.000 0.266 470 L C -1.242 175.489 176.870 -0.231 0.000 1.002 470 L CA -0.454 54.152 54.840 -0.390 0.000 0.818 470 L CB 1.754 43.702 42.059 -0.185 0.000 1.325 470 L HN 0.657 nan 8.230 nan 0.000 0.418 471 L N 2.914 124.043 121.223 -0.156 0.000 2.385 471 L HA 0.843 5.183 4.340 -0.000 0.000 0.273 471 L C -0.914 175.840 176.870 -0.194 0.000 0.990 471 L CA 0.406 55.230 54.840 -0.025 0.000 0.821 471 L CB 2.189 44.322 42.059 0.124 0.000 1.279 471 L HN 0.685 nan 8.230 nan 0.000 0.412 472 T N 5.048 119.510 114.554 -0.154 0.000 2.933 472 T HA 0.532 4.882 4.350 -0.000 0.000 0.305 472 T C -2.843 171.831 174.700 -0.043 0.000 1.092 472 T CA -0.946 61.012 62.100 -0.237 0.000 1.008 472 T CB 2.247 71.102 68.868 -0.022 0.000 1.102 472 T HN 0.341 nan 8.240 nan 0.000 0.469 473 P HA 0.414 nan 4.420 nan 0.000 0.272 473 P C -0.954 176.231 177.300 -0.193 0.000 1.223 473 P CA -0.604 62.425 63.100 -0.119 0.000 0.784 473 P CB 0.442 32.007 31.700 -0.225 0.000 0.923 474 M N 3.115 122.622 119.600 -0.154 0.000 2.321 474 M HA 0.305 4.785 4.480 -0.000 0.000 0.315 474 M C -1.141 175.121 176.300 -0.062 0.000 1.052 474 M CA -1.283 53.962 55.300 -0.092 0.000 0.936 474 M CB 0.887 33.474 32.600 -0.021 0.000 1.639 474 M HN 0.123 nan 8.290 nan 0.000 0.433 475 L N 5.042 126.286 121.223 0.036 0.000 2.747 475 L HA 0.062 4.402 4.340 -0.000 0.000 0.286 475 L C 0.701 177.669 176.870 0.164 0.000 1.216 475 L CA 1.372 56.317 54.840 0.174 0.000 0.930 475 L CB -0.666 41.663 42.059 0.450 0.000 1.216 475 L HN 1.016 nan 8.230 nan 0.000 0.486 476 G N 7.225 116.058 108.800 0.054 0.000 2.467 476 G HA2 0.138 4.098 3.960 -0.000 0.000 0.243 476 G HA3 0.138 4.098 3.960 -0.000 0.000 0.243 476 G C -2.373 172.441 174.900 -0.143 0.000 1.521 476 G CA -0.411 44.669 45.100 -0.034 0.000 1.055 476 G HN 0.661 nan 8.290 nan 0.000 0.553 477 P HA 0.294 nan 4.420 nan 0.000 0.269 477 P C -0.162 176.843 177.300 -0.492 0.000 1.215 477 P CA -0.021 62.906 63.100 -0.289 0.000 0.780 477 P CB 0.511 32.089 31.700 -0.203 0.000 0.898 478 A N 2.911 125.341 122.820 -0.650 0.000 2.584 478 A HA 0.048 4.368 4.320 -0.000 0.000 0.239 478 A C 0.445 177.715 177.584 -0.523 0.000 1.043 478 A CA 0.075 51.515 52.037 -0.995 0.000 0.756 478 A CB -0.875 17.833 19.000 -0.486 0.000 0.963 478 A HN 0.481 nan 8.150 nan 0.000 0.511 479 L N 2.350 123.319 121.223 -0.422 0.000 2.476 479 L HA 0.077 4.417 4.340 -0.000 0.000 0.264 479 L C 1.511 178.359 176.870 -0.037 0.000 1.224 479 L CA 0.493 55.284 54.840 -0.081 0.000 0.821 479 L CB 0.079 42.202 42.059 0.106 0.000 1.101 479 L HN 0.833 nan 8.230 nan 0.000 0.488 480 D N -0.263 120.113 120.400 -0.041 0.000 1.585 480 D HA -0.081 4.559 4.640 -0.000 0.000 0.318 480 D C 1.044 177.335 176.300 -0.014 0.000 1.129 480 D CA 1.036 55.017 54.000 -0.030 0.000 0.954 480 D CB 0.222 41.000 40.800 -0.036 0.000 1.611 480 D HN 0.293 nan 8.370 nan 0.000 0.555 481 L N -0.792 120.414 121.223 -0.028 0.000 3.066 481 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 481 L C 0.141 176.984 176.870 -0.046 0.000 1.101 481 L CA 0.501 55.327 54.840 -0.024 0.000 1.022 481 L CB 0.303 42.356 42.059 -0.010 0.000 1.600 481 L HN 0.092 nan 8.230 nan 0.000 0.559 482 N N -0.967 117.699 118.700 -0.057 0.000 2.517 482 N HA 0.161 4.901 4.740 -0.000 0.000 0.285 482 N C 0.501 175.957 175.510 -0.091 0.000 1.528 482 N CA 0.885 53.893 53.050 -0.070 0.000 0.892 482 N CB 1.018 39.480 38.487 -0.042 0.000 1.356 482 N HN 0.288 nan 8.380 nan 0.000 0.495 483 T N -3.104 111.376 114.554 -0.122 0.000 3.018 483 T HA 0.164 4.514 4.350 -0.000 0.000 0.246 483 T C -1.177 173.384 174.700 -0.231 0.000 1.026 483 T CA 0.159 62.183 62.100 -0.126 0.000 1.081 483 T CB -0.604 68.215 68.868 -0.081 0.000 0.970 483 T HN -0.098 nan 8.240 nan 0.000 0.475 484 P HA -0.060 nan 4.420 nan 0.000 0.216 484 P C 1.950 178.858 177.300 -0.653 0.000 1.154 484 P CA 1.646 64.139 63.100 -1.011 0.000 0.865 484 P CB -0.690 30.019 31.700 -1.652 0.000 0.789 485 G N -0.117 108.454 108.800 -0.381 0.000 2.462 485 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 485 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 485 G C 1.180 176.023 174.900 -0.095 0.000 1.121 485 G CA 0.441 45.435 45.100 -0.176 0.000 0.758 485 G HN 0.337 nan 8.290 nan 0.000 0.559 486 R N -0.091 120.354 120.500 -0.093 0.000 2.586 486 R HA 0.519 4.859 4.340 -0.000 0.000 0.306 486 R C 0.533 176.841 176.300 0.014 0.000 1.079 486 R CA 0.407 56.514 56.100 0.011 0.000 1.083 486 R CB 0.568 30.886 30.300 0.029 0.000 1.306 486 R HN 0.232 nan 8.270 nan 0.000 0.567 487 A N -0.068 122.642 122.820 -0.183 0.000 2.602 487 A HA 0.139 4.459 4.320 -0.000 0.000 0.238 487 A C 1.028 178.272 177.584 -0.565 0.000 0.863 487 A CA -0.436 51.425 52.037 -0.294 0.000 1.148 487 A CB 0.048 19.027 19.000 -0.036 0.000 1.227 487 A HN 0.101 nan 8.150 nan 0.000 0.460 488 T N -0.012 114.021 114.554 -0.869 0.000 2.873 488 T HA -0.298 4.052 4.350 -0.000 0.000 0.258 488 T C 1.791 175.881 174.700 -1.018 0.000 1.024 488 T CA 2.503 64.016 62.100 -0.978 0.000 1.165 488 T CB -0.237 67.864 68.868 -1.279 0.000 0.827 488 T HN 0.836 nan 8.240 nan 0.000 0.495 489 G N 0.059 108.057 108.800 -1.336 0.000 2.650 489 G HA2 0.240 4.200 3.960 -0.000 0.000 0.214 489 G HA3 0.240 4.200 3.960 -0.000 0.000 0.214 489 G C 1.462 176.337 174.900 -0.041 0.000 1.136 489 G CA 0.547 45.374 45.100 -0.454 0.000 0.789 489 G HN 0.647 nan 8.290 nan 0.000 0.536 490 A N 0.975 123.748 122.820 -0.078 0.000 2.235 490 A HA 0.232 4.552 4.320 -0.000 0.000 0.208 490 A C 2.058 179.665 177.584 0.039 0.000 1.172 490 A CA 0.698 52.783 52.037 0.080 0.000 0.786 490 A CB -0.376 18.700 19.000 0.126 0.000 0.804 490 A HN 0.716 nan 8.150 nan 0.000 0.479 491 I N -2.011 118.513 120.570 -0.076 0.000 3.684 491 I HA 0.000 4.170 4.170 -0.000 0.000 0.304 491 I C 1.911 178.035 176.117 0.011 0.000 1.278 491 I CA 0.965 62.297 61.300 0.054 0.000 1.272 491 I CB -0.298 37.692 38.000 -0.018 0.000 1.029 491 I HN 0.222 nan 8.210 nan 0.000 0.458 492 S N 1.746 117.427 115.700 -0.033 0.000 2.381 492 S HA -0.319 4.151 4.470 -0.000 0.000 0.230 492 S C 1.884 176.369 174.600 -0.192 0.000 1.052 492 S CA 1.706 59.793 58.200 -0.188 0.000 1.068 492 S CB -1.130 61.975 63.200 -0.157 0.000 0.918 492 S HN 0.664 nan 8.310 nan 0.000 0.448 493 Y N 2.867 123.202 120.300 0.058 0.000 2.133 493 Y HA -0.063 4.487 4.550 -0.000 0.000 0.287 493 Y C 3.426 179.368 175.900 0.070 0.000 1.134 493 Y CA 1.704 59.871 58.100 0.112 0.000 1.133 493 Y CB -1.224 37.342 38.460 0.176 0.000 0.987 493 Y HN 0.610 nan 8.280 nan 0.000 0.502 494 T N -3.057 111.557 114.554 0.099 0.000 2.770 494 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 494 T C 2.037 176.715 174.700 -0.036 0.000 1.039 494 T CA 1.101 63.180 62.100 -0.035 0.000 1.142 494 T CB -1.160 67.474 68.868 -0.389 0.000 0.868 494 T HN 0.146 nan 8.240 nan 0.000 0.435 495 V N 1.429 121.287 119.914 -0.092 0.000 2.568 495 V HA -0.053 4.067 4.120 -0.000 0.000 0.253 495 V C 2.462 178.443 176.094 -0.188 0.000 1.072 495 V CA 1.487 63.712 62.300 -0.126 0.000 1.084 495 V CB -0.736 31.006 31.823 -0.136 0.000 0.676 495 V HN 0.507 nan 8.190 nan 0.000 0.469 496 L N -0.590 120.461 121.223 -0.287 0.000 2.187 496 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 496 L C 1.866 178.394 176.870 -0.570 0.000 1.100 496 L CA 2.123 56.676 54.840 -0.478 0.000 0.765 496 L CB -0.620 41.041 42.059 -0.665 0.000 0.904 496 L HN 0.490 nan 8.230 nan 0.000 0.437 497 Y N -1.431 118.825 120.300 -0.073 0.000 2.478 497 Y HA 0.143 4.693 4.550 0.000 0.000 0.261 497 Y C 2.249 178.093 175.900 -0.094 0.000 1.127 497 Y CA 0.081 58.125 58.100 -0.093 0.000 1.288 497 Y CB -0.494 37.969 38.460 0.005 0.000 1.084 497 Y HN 0.276 nan 8.280 nan 0.000 0.530 498 N N -0.931 117.765 118.700 -0.006 0.000 2.250 498 N HA -0.161 4.579 4.740 -0.000 0.000 0.181 498 N C 1.951 177.420 175.510 -0.068 0.000 1.017 498 N CA 1.265 54.294 53.050 -0.035 0.000 0.866 498 N CB -0.543 37.912 38.487 -0.054 0.000 0.985 498 N HN 0.354 nan 8.380 nan 0.000 0.429 499 C N 1.346 120.577 119.300 -0.115 0.000 2.425 499 C HA 0.059 4.519 4.460 -0.000 0.000 0.277 499 C C 2.556 177.498 174.990 -0.080 0.000 1.280 499 C CA 0.330 59.280 59.018 -0.113 0.000 1.744 499 C CB -1.176 26.463 27.740 -0.167 0.000 1.989 499 C HN 0.339 nan 8.230 nan 0.000 0.491 500 L N 0.088 121.213 121.223 -0.162 0.000 2.418 500 L HA 0.069 4.409 4.340 -0.000 0.000 0.218 500 L C 1.045 177.842 176.870 -0.122 0.000 1.125 500 L CA 1.317 55.969 54.840 -0.312 0.000 0.835 500 L CB -0.483 41.031 42.059 -0.908 0.000 0.953 500 L HN 0.347 nan 8.230 nan 0.000 0.454 501 D N -0.084 120.300 120.400 -0.026 0.000 2.699 501 D HA -0.253 4.387 4.640 -0.000 0.000 0.239 501 D C -0.319 176.108 176.300 0.211 0.000 1.136 501 D CA 0.572 54.600 54.000 0.047 0.000 0.668 501 D CB -1.206 39.587 40.800 -0.013 0.000 1.060 501 D HN 0.164 nan 8.370 nan 0.000 0.429 502 F N -0.606 119.314 119.950 -0.050 0.000 2.397 502 F HA 0.440 4.967 4.527 0.000 0.000 0.331 502 F C -1.390 174.350 175.800 -0.101 0.000 1.090 502 F CA -2.763 55.172 58.000 -0.109 0.000 1.065 502 F CB 1.380 40.355 39.000 -0.042 0.000 1.184 502 F HN -0.184 nan 8.300 nan 0.000 0.499 503 P HA 0.035 nan 4.420 nan 0.000 0.262 503 P C -1.218 176.095 177.300 0.021 0.000 1.182 503 P CA 0.276 63.379 63.100 0.006 0.000 0.761 503 P CB 0.554 32.239 31.700 -0.024 0.000 0.795 504 A N 3.222 126.054 122.820 0.021 0.000 2.422 504 A HA 0.797 5.117 4.320 -0.000 0.000 0.302 504 A C -0.300 177.291 177.584 0.011 0.000 1.041 504 A CA -0.415 51.620 52.037 -0.004 0.000 0.708 504 A CB 1.795 20.796 19.000 0.001 0.000 1.257 504 A HN 0.535 nan 8.150 nan 0.000 0.414 505 G N -0.318 108.493 108.800 0.018 0.000 2.612 505 G HA2 0.611 4.571 3.960 -0.000 0.000 0.298 505 G HA3 0.611 4.571 3.960 -0.000 0.000 0.298 505 G C -1.728 173.182 174.900 0.016 0.000 1.336 505 G CA -0.560 44.555 45.100 0.025 0.000 0.953 505 G HN 1.016 nan 8.290 nan 0.000 0.482 506 V N 0.619 120.538 119.914 0.009 0.000 2.588 506 V HA 0.715 4.835 4.120 -0.000 0.000 0.304 506 V C -0.748 175.350 176.094 0.007 0.000 1.042 506 V CA -0.761 61.541 62.300 0.003 0.000 0.877 506 V CB 1.689 33.507 31.823 -0.008 0.000 0.996 506 V HN 0.841 nan 8.190 nan 0.000 0.425 507 V N 7.815 127.726 119.914 -0.005 0.000 2.668 507 V HA 0.720 4.840 4.120 -0.000 0.000 0.304 507 V C -2.684 173.399 176.094 -0.019 0.000 1.071 507 V CA -2.057 60.236 62.300 -0.012 0.000 0.894 507 V CB 3.037 34.838 31.823 -0.038 0.000 1.008 507 V HN 0.777 nan 8.190 nan 0.000 0.425 508 P HA 0.267 nan 4.420 nan 0.000 0.292 508 P C 0.437 177.719 177.300 -0.030 0.000 1.326 508 P CA -0.029 63.060 63.100 -0.018 0.000 0.787 508 P CB 1.487 33.185 31.700 -0.003 0.000 0.903 509 V N 0.862 120.750 119.914 -0.043 0.000 3.565 509 V HA 0.283 4.403 4.120 -0.000 0.000 0.260 509 V C 0.636 176.704 176.094 -0.044 0.000 1.231 509 V CA 0.901 63.174 62.300 -0.046 0.000 1.100 509 V CB -0.099 31.692 31.823 -0.053 0.000 0.807 509 V HN 0.589 nan 8.190 nan 0.000 0.454 510 T N 0.084 114.605 114.554 -0.055 0.000 2.749 510 T HA 0.538 4.888 4.350 -0.000 0.000 0.310 510 T C -0.617 174.028 174.700 -0.093 0.000 1.496 510 T CA 0.420 62.484 62.100 -0.059 0.000 1.006 510 T CB 1.752 70.591 68.868 -0.048 0.000 1.457 510 T HN 0.812 nan 8.240 nan 0.000 0.497 511 T N -0.460 114.041 114.554 -0.089 0.000 2.932 511 T HA 0.706 5.056 4.350 -0.000 0.000 0.289 511 T C -0.439 174.206 174.700 -0.092 0.000 1.039 511 T CA -0.643 61.382 62.100 -0.124 0.000 1.024 511 T CB 1.201 69.995 68.868 -0.124 0.000 1.090 511 T HN 0.496 nan 8.240 nan 0.000 0.496 512 V N 3.923 123.774 119.914 -0.106 0.000 2.439 512 V HA 0.317 4.437 4.120 -0.000 0.000 0.271 512 V C 1.386 177.451 176.094 -0.048 0.000 1.040 512 V CA -0.170 62.085 62.300 -0.075 0.000 1.002 512 V CB 0.134 31.904 31.823 -0.088 0.000 1.000 512 V HN 1.190 nan 8.190 nan 0.000 0.477 513 T N 2.782 117.317 114.554 -0.033 0.000 2.849 513 T HA 0.502 4.852 4.350 -0.000 0.000 0.284 513 T C 1.460 176.151 174.700 -0.015 0.000 1.004 513 T CA -0.059 62.030 62.100 -0.019 0.000 1.021 513 T CB 1.565 70.426 68.868 -0.012 0.000 1.013 513 T HN 0.710 nan 8.240 nan 0.000 0.527 514 A N 0.875 123.691 122.820 -0.008 0.000 1.927 514 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 514 A C 2.579 180.161 177.584 -0.003 0.000 1.185 514 A CA 2.473 54.508 52.037 -0.005 0.000 0.639 514 A CB -1.855 17.145 19.000 -0.000 0.000 0.820 514 A HN 1.198 nan 8.150 nan 0.000 0.451 515 E N 0.045 120.244 120.200 -0.001 0.000 2.208 515 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 515 E C 1.451 178.054 176.600 0.004 0.000 0.988 515 E CA 1.318 57.719 56.400 0.002 0.000 0.828 515 E CB -0.694 29.008 29.700 0.003 0.000 0.763 515 E HN 0.754 nan 8.360 nan 0.000 0.478 516 D N -0.175 120.225 120.400 -0.000 0.000 2.323 516 D HA -0.024 4.616 4.640 -0.000 0.000 0.209 516 D C 0.864 177.164 176.300 0.000 0.000 0.973 516 D CA 1.077 55.078 54.000 0.002 0.000 0.874 516 D CB 0.076 40.871 40.800 -0.008 0.000 0.930 516 D HN 0.436 nan 8.370 nan 0.000 0.521 517 D N -0.091 120.305 120.400 -0.006 0.000 2.327 517 D HA 0.133 4.773 4.640 -0.000 0.000 0.205 517 D C 1.954 178.254 176.300 -0.001 0.000 0.989 517 D CA 0.406 54.399 54.000 -0.010 0.000 0.873 517 D CB 0.395 41.184 40.800 -0.018 0.000 0.955 517 D HN 0.036 nan 8.370 nan 0.000 0.515 518 A N 0.075 122.898 122.820 0.005 0.000 1.874 518 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 518 A C 2.208 179.803 177.584 0.019 0.000 1.189 518 A CA 1.704 53.747 52.037 0.010 0.000 0.615 518 A CB -1.149 17.856 19.000 0.008 0.000 0.830 518 A HN 0.257 nan 8.150 nan 0.000 0.443 519 Q N -1.242 118.571 119.800 0.023 0.000 2.515 519 Q HA 0.224 4.564 4.340 -0.000 0.000 0.212 519 Q C 1.647 177.683 176.000 0.060 0.000 0.970 519 Q CA 1.445 57.269 55.803 0.035 0.000 0.941 519 Q CB -0.847 27.909 28.738 0.030 0.000 0.998 519 Q HN 0.569 nan 8.270 nan 0.000 0.518 520 M N 0.530 120.161 119.600 0.051 0.000 2.288 520 M HA 0.060 4.540 4.480 -0.000 0.000 0.266 520 M C 2.213 178.556 176.300 0.072 0.000 1.072 520 M CA 1.449 56.786 55.300 0.062 0.000 1.132 520 M CB -0.473 32.131 32.600 0.006 0.000 1.386 520 M HN 0.626 nan 8.290 nan 0.000 0.432 521 E N -0.313 119.916 120.200 0.048 0.000 2.204 521 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 521 E C 1.984 178.625 176.600 0.068 0.000 0.990 521 E CA 1.632 58.061 56.400 0.048 0.000 0.821 521 E CB -1.588 28.130 29.700 0.029 0.000 0.750 521 E HN 0.607 nan 8.360 nan 0.000 0.477 522 L N -1.070 120.194 121.223 0.069 0.000 2.610 522 L HA 0.454 4.794 4.340 -0.000 0.000 0.232 522 L C 1.478 178.389 176.870 0.069 0.000 1.149 522 L CA 0.541 55.413 54.840 0.055 0.000 0.872 522 L CB -1.552 40.526 42.059 0.032 0.000 0.992 522 L HN 0.560 nan 8.230 nan 0.000 0.447 523 Y N 2.061 122.350 120.300 -0.018 0.000 2.544 523 Y HA 0.400 4.950 4.550 -0.000 0.000 0.330 523 Y C 0.549 176.431 175.900 -0.030 0.000 1.136 523 Y CA 0.663 58.745 58.100 -0.029 0.000 1.417 523 Y CB 0.033 38.481 38.460 -0.020 0.000 1.229 523 Y HN 0.407 nan 8.280 nan 0.000 0.532 524 K N 4.281 124.556 120.400 -0.209 0.000 2.565 524 K HA 0.642 4.962 4.320 -0.000 0.000 0.249 524 K C -0.019 176.358 176.600 -0.372 0.000 0.958 524 K CA -0.342 55.872 56.287 -0.122 0.000 0.806 524 K CB 0.689 33.153 32.500 -0.060 0.000 1.194 524 K HN 1.061 nan 8.250 nan 0.000 0.434 525 G N -0.183 108.494 108.800 -0.206 0.000 2.631 525 G HA2 0.383 4.343 3.960 -0.000 0.000 0.271 525 G HA3 0.383 4.343 3.960 -0.000 0.000 0.271 525 G C 0.211 174.929 174.900 -0.303 0.000 1.302 525 G CA -0.045 44.883 45.100 -0.287 0.000 1.002 525 G HN 0.680 nan 8.290 nan 0.000 0.519 526 Y N -1.128 119.066 120.300 -0.176 0.000 2.583 526 Y HA 0.175 4.725 4.550 -0.000 0.000 0.293 526 Y C 1.663 177.125 175.900 -0.730 0.000 1.157 526 Y CA 0.477 58.294 58.100 -0.473 0.000 1.315 526 Y CB -0.102 37.980 38.460 -0.630 0.000 1.021 526 Y HN 0.406 nan 8.280 nan 0.000 0.536 527 F N -2.716 117.275 119.950 0.069 0.000 2.784 527 F HA 0.357 4.884 4.527 -0.000 0.000 0.316 527 F C 2.047 177.877 175.800 0.050 0.000 1.026 527 F CA 0.372 58.394 58.000 0.036 0.000 1.188 527 F CB 0.206 39.207 39.000 0.002 0.000 0.999 527 F HN -0.098 nan 8.300 nan 0.000 0.605 528 G N 1.285 110.211 108.800 0.210 0.000 2.196 528 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.268 528 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.268 528 G C 0.077 175.106 174.900 0.215 0.000 0.975 528 G CA 0.764 45.967 45.100 0.171 0.000 0.648 528 G HN 0.473 nan 8.290 nan 0.000 0.538 529 D N -0.071 120.478 120.400 0.249 0.000 2.380 529 D HA 0.332 4.972 4.640 -0.000 0.000 0.254 529 D C 2.076 178.382 176.300 0.010 0.000 1.288 529 D CA -0.286 53.807 54.000 0.155 0.000 1.008 529 D CB -0.002 40.852 40.800 0.091 0.000 1.099 529 D HN 0.476 nan 8.370 nan 0.000 0.537 530 I N -1.327 119.125 120.570 -0.196 0.000 2.394 530 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 530 I C 0.979 177.148 176.117 0.086 0.000 1.136 530 I CA 0.983 62.214 61.300 -0.114 0.000 1.425 530 I CB -0.523 37.341 38.000 -0.227 0.000 1.079 530 I HN 0.352 nan 8.210 nan 0.000 0.425 531 W N 2.188 123.469 121.300 -0.031 0.000 2.355 531 W HA -0.144 4.516 4.660 0.000 0.000 0.309 531 W C 2.403 178.950 176.519 0.046 0.000 1.206 531 W CA 1.015 58.355 57.345 -0.008 0.000 1.284 531 W CB -1.451 27.992 29.460 -0.029 0.000 1.145 531 W HN 0.277 nan 8.180 nan 0.000 0.502 532 D N -0.111 120.481 120.400 0.320 0.000 2.178 532 D HA -0.139 4.501 4.640 -0.000 0.000 0.202 532 D C 2.148 178.569 176.300 0.202 0.000 0.974 532 D CA 1.134 55.310 54.000 0.294 0.000 0.841 532 D CB -0.251 40.738 40.800 0.314 0.000 0.953 532 D HN 0.052 nan 8.370 nan 0.000 0.478 533 I N 0.680 121.339 120.570 0.148 0.000 2.202 533 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 533 I C 2.487 178.637 176.117 0.055 0.000 1.091 533 I CA 0.789 62.144 61.300 0.093 0.000 1.368 533 I CB -0.886 37.153 38.000 0.065 0.000 1.058 533 I HN -0.022 nan 8.210 nan 0.000 0.410 534 I N 0.160 120.770 120.570 0.067 0.000 2.394 534 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 534 I C 2.396 178.507 176.117 -0.009 0.000 1.136 534 I CA 0.725 62.046 61.300 0.034 0.000 1.425 534 I CB -0.254 37.780 38.000 0.057 0.000 1.079 534 I HN 0.109 nan 8.210 nan 0.000 0.425 535 L N 0.643 121.860 121.223 -0.010 0.000 2.083 535 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 535 L C 2.380 179.081 176.870 -0.282 0.000 1.083 535 L CA 1.803 56.573 54.840 -0.117 0.000 0.752 535 L CB -0.715 41.286 42.059 -0.097 0.000 0.899 535 L HN 0.146 nan 8.230 nan 0.000 0.433 536 K N -0.551 119.698 120.400 -0.251 0.000 2.097 536 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 536 K C 2.181 178.704 176.600 -0.128 0.000 1.050 536 K CA 1.729 57.876 56.287 -0.233 0.000 0.938 536 K CB 0.046 32.516 32.500 -0.051 0.000 0.718 536 K HN 0.314 nan 8.250 nan 0.000 0.442 537 K N -0.038 120.315 120.400 -0.078 0.000 2.243 537 K HA 0.147 4.467 4.320 -0.000 0.000 0.201 537 K C 1.870 178.432 176.600 -0.063 0.000 1.051 537 K CA 1.028 57.284 56.287 -0.052 0.000 0.970 537 K CB -0.445 32.039 32.500 -0.027 0.000 0.755 537 K HN 0.326 nan 8.250 nan 0.000 0.465 538 A N 0.489 123.263 122.820 -0.078 0.000 1.930 538 A HA 0.146 4.466 4.320 -0.000 0.000 0.215 538 A C 2.372 179.898 177.584 -0.095 0.000 1.176 538 A CA 1.481 53.474 52.037 -0.073 0.000 0.632 538 A CB -0.153 18.810 19.000 -0.061 0.000 0.819 538 A HN 0.450 nan 8.150 nan 0.000 0.445 539 M N 0.085 119.608 119.600 -0.128 0.000 2.558 539 M HA 0.056 4.536 4.480 -0.000 0.000 0.255 539 M C 1.280 177.509 176.300 -0.118 0.000 1.113 539 M CA 0.689 55.902 55.300 -0.145 0.000 1.097 539 M CB -0.444 32.047 32.600 -0.181 0.000 1.426 539 M HN 0.360 nan 8.290 nan 0.000 0.488 540 K N 1.672 122.014 120.400 -0.097 0.000 2.319 540 K HA 0.073 4.393 4.320 -0.000 0.000 0.265 540 K C 0.404 176.972 176.600 -0.054 0.000 1.000 540 K CA 0.168 56.416 56.287 -0.066 0.000 0.943 540 K CB -0.322 32.148 32.500 -0.050 0.000 0.950 540 K HN 0.512 nan 8.250 nan 0.000 0.485 541 N N -0.018 118.658 118.700 -0.041 0.000 2.663 541 N HA -0.174 4.566 4.740 -0.000 0.000 0.263 541 N C -0.752 174.734 175.510 -0.039 0.000 1.109 541 N CA 1.116 54.147 53.050 -0.031 0.000 0.701 541 N CB -1.595 36.880 38.487 -0.021 0.000 0.879 541 N HN 0.755 nan 8.380 nan 0.000 0.550 542 S N -1.014 114.656 115.700 -0.049 0.000 2.598 542 S HA 0.273 4.743 4.470 -0.000 0.000 0.209 542 S C -0.186 174.378 174.600 -0.061 0.000 1.029 542 S CA -0.394 57.768 58.200 -0.062 0.000 1.172 542 S CB 0.369 63.505 63.200 -0.107 0.000 1.427 542 S HN 0.331 nan 8.310 nan 0.000 0.418 543 V N 1.512 121.406 119.914 -0.033 0.000 2.508 543 V HA 0.672 4.792 4.120 -0.000 0.000 0.281 543 V C 1.469 177.554 176.094 -0.014 0.000 1.041 543 V CA 0.544 62.829 62.300 -0.026 0.000 1.016 543 V CB 0.064 31.881 31.823 -0.010 0.000 0.984 543 V HN 0.899 nan 8.190 nan 0.000 0.478 544 G N 3.751 112.532 108.800 -0.032 0.000 2.195 544 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.246 544 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.246 544 G C 0.028 174.850 174.900 -0.131 0.000 0.984 544 G CA -0.186 44.902 45.100 -0.020 0.000 0.633 544 G HN 0.527 nan 8.290 nan 0.000 0.525 545 L N 1.975 123.084 121.223 -0.190 0.000 2.326 545 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 545 L C -1.837 174.766 176.870 -0.446 0.000 1.092 545 L CA -1.441 53.177 54.840 -0.370 0.000 0.810 545 L CB 1.081 42.995 42.059 -0.243 0.000 1.153 545 L HN -0.024 nan 8.230 nan 0.000 0.439 546 P HA 0.220 nan 4.420 nan 0.000 0.281 546 P C -0.541 176.594 177.300 -0.275 0.000 1.252 546 P CA -0.284 62.530 63.100 -0.477 0.000 0.778 546 P CB 1.282 32.621 31.700 -0.601 0.000 0.895 547 V N 2.124 121.930 119.914 -0.180 0.000 3.096 547 V HA 0.856 4.976 4.120 -0.000 0.000 0.319 547 V C 0.517 176.568 176.094 -0.072 0.000 1.082 547 V CA -0.603 61.632 62.300 -0.109 0.000 1.022 547 V CB 1.364 33.134 31.823 -0.089 0.000 1.103 547 V HN 0.796 nan 8.190 nan 0.000 0.455 548 A N 0.959 123.755 122.820 -0.040 0.000 2.564 548 A HA 0.898 5.218 4.320 -0.000 0.000 0.288 548 A C -1.240 176.326 177.584 -0.029 0.000 1.164 548 A CA -0.555 51.467 52.037 -0.026 0.000 0.712 548 A CB 1.914 20.915 19.000 0.001 0.000 1.303 548 A HN 0.663 nan 8.150 nan 0.000 0.418 549 V N -0.289 119.607 119.914 -0.029 0.000 3.113 549 V HA 0.586 4.706 4.120 -0.000 0.000 0.316 549 V C -0.630 175.457 176.094 -0.011 0.000 1.125 549 V CA -0.500 61.784 62.300 -0.026 0.000 1.026 549 V CB 1.996 33.799 31.823 -0.032 0.000 1.080 549 V HN 0.927 nan 8.190 nan 0.000 0.444 550 Q N 1.176 120.979 119.800 0.004 0.000 2.342 550 Q HA 0.530 4.870 4.340 -0.000 0.000 0.267 550 Q C -1.808 174.223 176.000 0.051 0.000 1.038 550 Q CA -0.511 55.304 55.803 0.020 0.000 0.832 550 Q CB 1.869 30.629 28.738 0.037 0.000 1.323 550 Q HN 0.830 nan 8.270 nan 0.000 0.448 551 C N 2.813 122.156 119.300 0.073 0.000 2.408 551 C HA 0.724 5.184 4.460 -0.000 0.000 0.321 551 C C -0.367 174.652 174.990 0.048 0.000 1.245 551 C CA -0.745 58.377 59.018 0.174 0.000 1.523 551 C CB 0.880 28.813 27.740 0.321 0.000 2.178 551 C HN 0.552 nan 8.230 nan 0.000 0.488 552 V N 2.736 122.643 119.914 -0.012 0.000 2.604 552 V HA 0.870 4.990 4.120 -0.000 0.000 0.305 552 V C 0.333 176.484 176.094 0.095 0.000 1.043 552 V CA -0.107 62.163 62.300 -0.050 0.000 0.888 552 V CB 1.651 33.298 31.823 -0.292 0.000 0.995 552 V HN 1.114 nan 8.190 nan 0.000 0.429 553 A N 4.011 126.838 122.820 0.010 0.000 2.347 553 A HA 0.899 5.219 4.320 -0.000 0.000 0.301 553 A C -0.420 176.813 177.584 -0.585 0.000 1.163 553 A CA -0.846 51.133 52.037 -0.095 0.000 0.860 553 A CB 0.819 19.782 19.000 -0.062 0.000 1.367 553 A HN 0.750 nan 8.150 nan 0.000 0.461 554 L N 0.682 121.377 121.223 -0.880 0.000 2.476 554 L HA 0.205 4.545 4.340 -0.000 0.000 0.264 554 L C -1.963 174.426 176.870 -0.801 0.000 1.224 554 L CA -1.429 52.675 54.840 -1.228 0.000 0.821 554 L CB 0.086 41.588 42.059 -0.928 0.000 1.101 554 L HN 0.396 nan 8.230 nan 0.000 0.488 555 P HA -0.108 nan 4.420 nan 0.000 0.262 555 P C -0.839 176.272 177.300 -0.314 0.000 1.182 555 P CA 0.418 63.177 63.100 -0.568 0.000 0.761 555 P CB 0.080 31.492 31.700 -0.480 0.000 0.795 556 W N 0.558 121.795 121.300 -0.106 0.000 2.046 556 W HA -0.175 4.485 4.660 0.000 0.000 0.263 556 W C 0.550 177.029 176.519 -0.067 0.000 1.048 556 W CA -0.008 57.299 57.345 -0.063 0.000 0.474 556 W CB -2.265 27.158 29.460 -0.062 0.000 2.069 556 W HN 0.359 nan 8.180 nan 0.000 1.264 557 Q N 1.191 121.014 119.800 0.040 0.000 2.341 557 Q HA 0.064 4.404 4.340 -0.000 0.000 0.325 557 Q C 1.699 177.722 176.000 0.040 0.000 0.920 557 Q CA 0.561 56.374 55.803 0.016 0.000 1.065 557 Q CB 0.018 28.717 28.738 -0.065 0.000 1.218 557 Q HN 0.480 nan 8.270 nan 0.000 0.434 558 E N 0.911 121.166 120.200 0.091 0.000 2.077 558 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 558 E C 1.308 178.012 176.600 0.174 0.000 0.989 558 E CA 1.031 57.504 56.400 0.123 0.000 0.800 558 E CB -0.040 29.752 29.700 0.154 0.000 0.746 558 E HN 0.498 nan 8.360 nan 0.000 0.452 559 E N 1.742 122.048 120.200 0.176 0.000 2.049 559 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 559 E C 2.324 179.031 176.600 0.179 0.000 1.007 559 E CA 1.242 57.719 56.400 0.129 0.000 0.809 559 E CB -0.724 28.838 29.700 -0.229 0.000 0.749 559 E HN 0.236 nan 8.360 nan 0.000 0.450 560 L N 1.383 122.673 121.223 0.111 0.000 2.083 560 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 560 L C 2.559 179.527 176.870 0.163 0.000 1.083 560 L CA 1.431 56.341 54.840 0.118 0.000 0.752 560 L CB -0.840 41.255 42.059 0.060 0.000 0.899 560 L HN 0.338 nan 8.230 nan 0.000 0.433 561 C N -0.682 118.705 119.300 0.145 0.000 2.413 561 C HA -0.182 4.278 4.460 -0.000 0.000 0.278 561 C C 2.806 177.939 174.990 0.238 0.000 1.224 561 C CA 1.124 60.246 59.018 0.174 0.000 1.732 561 C CB -1.060 26.747 27.740 0.111 0.000 2.050 561 C HN 0.616 nan 8.230 nan 0.000 0.463 562 L N 0.549 121.914 121.223 0.237 0.000 2.131 562 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 562 L C 2.989 180.113 176.870 0.423 0.000 1.092 562 L CA 1.351 56.355 54.840 0.273 0.000 0.759 562 L CB -0.726 41.461 42.059 0.213 0.000 0.903 562 L HN 0.450 nan 8.230 nan 0.000 0.435 563 R N 0.136 120.900 120.500 0.439 0.000 2.070 563 R HA -0.251 4.088 4.340 -0.000 0.000 0.233 563 R C 2.332 178.745 176.300 0.189 0.000 1.137 563 R CA 1.974 58.237 56.100 0.271 0.000 0.945 563 R CB -0.741 29.672 30.300 0.188 0.000 0.845 563 R HN 0.316 nan 8.270 nan 0.000 0.430 564 F N 1.040 121.026 119.950 0.060 0.000 2.234 564 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 564 F C 2.285 178.083 175.800 -0.003 0.000 1.087 564 F CA 1.362 59.358 58.000 -0.006 0.000 1.340 564 F CB -0.029 38.958 39.000 -0.020 0.000 1.031 564 F HN -0.007 nan 8.300 nan 0.000 0.500 565 M N -0.151 119.440 119.600 -0.015 0.000 2.159 565 M HA -0.197 4.283 4.480 -0.000 0.000 0.263 565 M C 2.370 178.624 176.300 -0.076 0.000 1.063 565 M CA 1.643 56.890 55.300 -0.088 0.000 1.110 565 M CB -0.462 32.168 32.600 0.050 0.000 1.374 565 M HN 0.126 nan 8.290 nan 0.000 0.411 566 R N 0.536 121.047 120.500 0.020 0.000 2.075 566 R HA -0.201 4.139 4.340 -0.000 0.000 0.232 566 R C 1.963 178.226 176.300 -0.062 0.000 1.126 566 R CA 1.941 58.054 56.100 0.021 0.000 0.963 566 R CB -0.105 30.223 30.300 0.047 0.000 0.858 566 R HN 0.294 nan 8.270 nan 0.000 0.435 567 E N -0.006 120.126 120.200 -0.113 0.000 2.023 567 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 567 E C 1.898 178.370 176.600 -0.214 0.000 1.003 567 E CA 1.970 58.284 56.400 -0.143 0.000 0.809 567 E CB -0.164 29.446 29.700 -0.150 0.000 0.755 567 E HN 0.171 nan 8.360 nan 0.000 0.449 568 V N 1.189 120.872 119.914 -0.385 0.000 2.324 568 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 568 V C 2.459 178.444 176.094 -0.182 0.000 1.060 568 V CA 2.354 64.441 62.300 -0.356 0.000 1.042 568 V CB -0.672 30.842 31.823 -0.515 0.000 0.650 568 V HN 0.416 nan 8.190 nan 0.000 0.450 569 E N -0.529 119.590 120.200 -0.134 0.000 2.085 569 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 569 E C 2.360 178.932 176.600 -0.046 0.000 0.994 569 E CA 1.589 57.951 56.400 -0.064 0.000 0.801 569 E CB -0.118 29.566 29.700 -0.027 0.000 0.743 569 E HN 0.588 nan 8.360 nan 0.000 0.453 570 Q N 0.311 120.081 119.800 -0.050 0.000 2.083 570 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 570 Q C 2.411 178.394 176.000 -0.028 0.000 0.969 570 Q CA 0.793 56.579 55.803 -0.028 0.000 0.838 570 Q CB -0.012 28.712 28.738 -0.024 0.000 0.900 570 Q HN 0.372 nan 8.270 nan 0.000 0.436 571 L N -0.059 121.137 121.223 -0.045 0.000 2.027 571 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 571 L C 2.466 179.315 176.870 -0.035 0.000 1.074 571 L CA 0.895 55.712 54.840 -0.037 0.000 0.745 571 L CB -0.303 41.725 42.059 -0.051 0.000 0.898 571 L HN 0.244 nan 8.230 nan 0.000 0.433 572 M N -1.203 118.368 119.600 -0.048 0.000 2.447 572 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 572 M C 0.693 176.979 176.300 -0.022 0.000 1.095 572 M CA 0.768 56.044 55.300 -0.039 0.000 1.125 572 M CB -0.691 31.877 32.600 -0.053 0.000 1.389 572 M HN 0.221 nan 8.290 nan 0.000 0.459 573 T N 0.000 114.544 114.554 -0.016 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 573 T CA 0.000 62.100 62.100 -0.001 0.000 1.349 573 T CB 0.000 68.873 68.868 0.008 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658